smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2COC3(CCCCC3)O2)C1 ZINC000180860368 282183791 /nfs/dbraw/zinc/18/37/91/282183791.db2.gz JBLCBLMKQKHJHO-HUUCEWRRSA-N 1 0 325.453 1.798 50 0 EDAARO C[NH+](C)CCn1ccc(NC(=O)C2CCN(c3cnccn3)CC2)n1 ZINC000102247592 219191782 /nfs/dbraw/zinc/19/17/82/219191782.db2.gz SXRROSRPKQWCKI-UHFFFAOYSA-N 1 0 343.435 1.090 50 0 EDAARO CCNC(=O)[C@@]12C[N@H+](Cc3nc4ccccc4o3)C[C@@H]1COCC2 ZINC000685940917 539578279 /nfs/dbraw/zinc/57/82/79/539578279.db2.gz ZYMWDFOFJJDYTD-ACJLOTCBSA-N 1 0 329.400 1.802 50 0 EDAARO Cc1noc([C@]23CN(Cc4nc(C)c(C)[nH]4)C[C@H]2C[N@H+](C)CC3)n1 ZINC000685940860 539578615 /nfs/dbraw/zinc/57/86/15/539578615.db2.gz XQJAZRPNGZBUOP-RHSMWYFYSA-N 1 0 330.436 1.423 50 0 EDAARO OCC[C@@H]1C[N@H+](CCCn2cccn2)CCN1Cc1ccccc1F ZINC000020601595 202050587 /nfs/dbraw/zinc/05/05/87/202050587.db2.gz AZBOOEUTSOHFIS-GOSISDBHSA-N 1 0 346.450 1.981 50 0 EDAARO Cn1ncc(N2CC[C@@H](C[NH2+]C3CSCCSC3)C2)cc1=O ZINC000023145639 202099036 /nfs/dbraw/zinc/09/90/36/202099036.db2.gz COICOKHSRMSHEB-LBPRGKRZSA-N 1 0 340.518 1.045 50 0 EDAARO CN1N=C(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCC1=O ZINC000029840669 202190800 /nfs/dbraw/zinc/19/08/00/202190800.db2.gz FDWIPFDMPWCNJV-UHFFFAOYSA-N 1 0 328.416 1.159 50 0 EDAARO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000000101140 283282910 /nfs/dbraw/zinc/28/29/10/283282910.db2.gz HDXGZHRBCBGPJD-AWEZNQCLSA-N 1 0 349.818 1.165 50 0 EDAARO CCOC(=O)CCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000032931173 202242796 /nfs/dbraw/zinc/24/27/96/202242796.db2.gz UWKZTNSPRRAKEC-UHFFFAOYSA-N 1 0 333.432 1.716 50 0 EDAARO C[NH+](C)C[C@@H]1CN(C[C@H](O)c2ccc(OC(F)(F)F)cc2)CCO1 ZINC000069706161 202290885 /nfs/dbraw/zinc/29/08/85/202290885.db2.gz MTIVXJUMKIYNNS-CABCVRRESA-N 1 0 348.365 1.881 50 0 EDAARO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCCS(=O)(=O)N(C)C)n1 ZINC000069901031 202296860 /nfs/dbraw/zinc/29/68/60/202296860.db2.gz SLLPRSBUVXHKKB-MRXNPFEDSA-N 1 0 342.509 1.636 50 0 EDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000069897220 202296921 /nfs/dbraw/zinc/29/69/21/202296921.db2.gz DMZMESXZSXERBS-SJORKVTESA-N 1 0 340.427 1.482 50 0 EDAARO Cc1nc2n(n1)C[C@H]([NH2+]CCC(=O)N1CCc3sccc3C1)CC2 ZINC000069952035 202299610 /nfs/dbraw/zinc/29/96/10/202299610.db2.gz DEIAUSMXQJXVBH-CQSZACIVSA-N 1 0 345.472 1.527 50 0 EDAARO CC[NH+](CC)Cc1c(C(=O)c2ccccc2C)c(=O)n(C)c(=O)n1C ZINC000036366487 202323888 /nfs/dbraw/zinc/32/38/88/202323888.db2.gz JOVFGGVQGRADPX-UHFFFAOYSA-N 1 0 343.427 1.465 50 0 EDAARO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071876296 202351531 /nfs/dbraw/zinc/35/15/31/202351531.db2.gz GVMYEGUCTUAROH-CVEARBPZSA-N 1 0 334.395 1.712 50 0 EDAARO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2ccccn2)CC1 ZINC000072274170 216098529 /nfs/dbraw/zinc/09/85/29/216098529.db2.gz KQNKEBZMJAGOGP-CALCHBBNSA-N 1 0 345.491 1.782 50 0 EDAARO Cc1cc(NC(=O)CC[NH2+][C@@H]2CCCN(c3ccc(C)nn3)C2)no1 ZINC000071859775 202355447 /nfs/dbraw/zinc/35/54/47/202355447.db2.gz OHJGKBVHADRUBX-CQSZACIVSA-N 1 0 344.419 1.669 50 0 EDAARO C[N@H+](Cc1cccc(C(N)=O)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000072276668 202360435 /nfs/dbraw/zinc/36/04/35/202360435.db2.gz JXAYBSSVOYVESY-INIZCTEOSA-N 1 0 325.416 1.676 50 0 EDAARO COc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000030656154 212705207 /nfs/dbraw/zinc/70/52/07/212705207.db2.gz MVBCYWCTMRKDFS-UHFFFAOYSA-N 1 0 328.434 1.217 50 0 EDAARO CN1CCO[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000075128312 202375676 /nfs/dbraw/zinc/37/56/76/202375676.db2.gz ZEXZWPZAJZWAEV-HNNXBMFYSA-N 1 0 344.415 1.268 50 0 EDAARO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000075900787 202379692 /nfs/dbraw/zinc/37/96/92/202379692.db2.gz DTLQXUASPNGXBG-RDTXWAMCSA-N 1 0 347.434 1.899 50 0 EDAARO COc1ccccc1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040539528 202451009 /nfs/dbraw/zinc/45/10/09/202451009.db2.gz YPEWXJDYTQUQKD-UHFFFAOYSA-N 1 0 332.444 1.809 50 0 EDAARO C[C@@H]1C[N@H+](C2CCN(C(=O)CCc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000072431459 216223306 /nfs/dbraw/zinc/22/33/06/216223306.db2.gz NIYRHPYCRILYLZ-GASCZTMLSA-N 1 0 334.464 1.453 50 0 EDAARO COC(=O)[C@@H](C[NH+]1CCCCC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000032765190 291252850 /nfs/dbraw/zinc/25/28/50/291252850.db2.gz SCSDWNVBPVRPEB-BXUZGUMPSA-N 1 0 349.353 1.445 50 0 EDAARO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057553537 201140205 /nfs/dbraw/zinc/14/02/05/201140205.db2.gz PBNRPWSXWNPDFT-CYBMUJFWSA-N 1 0 340.427 1.599 50 0 EDAARO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C1)[C@@H]2O ZINC000252448852 201184253 /nfs/dbraw/zinc/18/42/53/201184253.db2.gz ZWXXWQXGNIKCTR-REPLKXPHSA-N 1 0 327.428 1.943 50 0 EDAARO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069926438 201166639 /nfs/dbraw/zinc/16/66/39/201166639.db2.gz ATMORZMTFGEGMM-WMZOPIPTSA-N 1 0 341.459 1.738 50 0 EDAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000097199557 201381990 /nfs/dbraw/zinc/38/19/90/201381990.db2.gz DSSSSAADHCOLCP-ZDUSSCGKSA-N 1 0 334.445 1.349 50 0 EDAARO Cc1ccc(NC[C@@H]2CC[N@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000097200831 201382837 /nfs/dbraw/zinc/38/28/37/201382837.db2.gz DGCSBCLJRKJKND-INIZCTEOSA-N 1 0 332.448 1.373 50 0 EDAARO C[C@@H](C(=O)N1CCC(N2CCCC2=O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000156205354 201398539 /nfs/dbraw/zinc/39/85/39/201398539.db2.gz ZYPMLBHDXKZBFR-RDTXWAMCSA-N 1 0 329.444 1.936 50 0 EDAARO C[C@H](C(=O)N1CCC(N2CCCC2=O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000156205232 201398887 /nfs/dbraw/zinc/39/88/87/201398887.db2.gz ZYPMLBHDXKZBFR-KBXCAEBGSA-N 1 0 329.444 1.936 50 0 EDAARO COc1ccc(OC)c2c1CN(C(=O)NCCC[NH+](C)C)C[C@@H]2O ZINC000053955075 202664276 /nfs/dbraw/zinc/66/42/76/202664276.db2.gz CUSXUJZSYQKURP-ZDUSSCGKSA-N 1 0 337.420 1.214 50 0 EDAARO O=C(C[C@@H]1C[NH2+]CCO1)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000216116365 241166370 /nfs/dbraw/zinc/16/63/70/241166370.db2.gz ZJJPXJIHGUWVJL-MRXNPFEDSA-N 1 0 346.431 1.178 50 0 EDAARO C[N@@H+]1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1(C)C ZINC000216310596 241180251 /nfs/dbraw/zinc/18/02/51/241180251.db2.gz HCBFMASCWFTPCY-UHFFFAOYSA-N 1 0 347.503 1.924 50 0 EDAARO CNC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)COCc1ccco1 ZINC000229745071 242193612 /nfs/dbraw/zinc/19/36/12/242193612.db2.gz HLKGWULWVBGSGE-AEFFLSMTSA-N 1 0 344.411 1.330 50 0 EDAARO CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000229756867 242196740 /nfs/dbraw/zinc/19/67/40/242196740.db2.gz HYTDULOKRGGCRQ-STQMWFEESA-N 1 0 338.433 1.233 50 0 EDAARO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)c1cccs1 ZINC000229892627 242213472 /nfs/dbraw/zinc/21/34/72/242213472.db2.gz MFVGPWFCKRXIBA-ZIAGYGMSSA-N 1 0 335.473 1.763 50 0 EDAARO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1cc(Br)c(C)n1 ZINC000002781535 201545325 /nfs/dbraw/zinc/54/53/25/201545325.db2.gz NTQDCSPDGFIYTM-SNVBAGLBSA-N 1 0 331.258 1.801 50 0 EDAARO C[C@H](CO)NC(=O)C1(Oc2ccc3ncccc3c2)CC[NH2+]CC1 ZINC000065370887 202837170 /nfs/dbraw/zinc/83/71/70/202837170.db2.gz SKDAEFJARULSIQ-CYBMUJFWSA-N 1 0 329.400 1.233 50 0 EDAARO O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc(CSc2ccccn2)cc1 ZINC000065380302 202839194 /nfs/dbraw/zinc/83/91/94/202839194.db2.gz VFUQWUNRLOPWDV-HUUCEWRRSA-N 1 0 329.425 1.436 50 0 EDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)NCc2csc(C)n2)CC1 ZINC000065440565 202849387 /nfs/dbraw/zinc/84/93/87/202849387.db2.gz MBDXBGJQIKBEHJ-LBPRGKRZSA-N 1 0 325.482 1.277 50 0 EDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[C@@H](COC)C3)cnn2c1 ZINC000067921749 202947158 /nfs/dbraw/zinc/94/71/58/202947158.db2.gz MMONTBCIYNXCGW-CQSZACIVSA-N 1 0 345.447 1.680 50 0 EDAARO COc1ccc2c(cc(C(=O)N3CCO[C@@H](CC[NH+](C)C)C3)n2C)c1 ZINC000020513849 212142191 /nfs/dbraw/zinc/14/21/91/212142191.db2.gz SVFOBXRJICWYLN-INIZCTEOSA-N 1 0 345.443 1.980 50 0 EDAARO CN(CC1CC1)C(=O)C[N@@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069588294 203023451 /nfs/dbraw/zinc/02/34/51/203023451.db2.gz JVGZZJXJHHNXCB-UHFFFAOYSA-N 1 0 341.459 1.943 50 0 EDAARO Cn1c(Cl)c(Cl)cc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000069622868 203029415 /nfs/dbraw/zinc/02/94/15/203029415.db2.gz ZPSFZLRAWFHBCJ-SNVBAGLBSA-N 1 0 347.246 1.402 50 0 EDAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(F)cc(F)c1 ZINC000069485142 203006835 /nfs/dbraw/zinc/00/68/35/203006835.db2.gz BTGJKDWOCQGGAM-HNNXBMFYSA-N 1 0 339.386 1.637 50 0 EDAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1c2ccccc2SCC1=O ZINC000069843508 203055748 /nfs/dbraw/zinc/05/57/48/203055748.db2.gz CIHYWZXBPVDFDQ-UONOGXRCSA-N 1 0 345.468 1.820 50 0 EDAARO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000069846923 203057195 /nfs/dbraw/zinc/05/71/95/203057195.db2.gz VULTYQCWDDBGQC-CQSZACIVSA-N 1 0 341.521 1.782 50 0 EDAARO C[C@H](NC(=O)NC1CC[NH+](CCc2ccncc2)CC1)[C@@H]1CCCO1 ZINC000069700785 203038539 /nfs/dbraw/zinc/03/85/39/203038539.db2.gz IISHIWGTJNMEEX-YJBOKZPZSA-N 1 0 346.475 1.955 50 0 EDAARO Cc1cnn(C[C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000069742484 203044291 /nfs/dbraw/zinc/04/42/91/203044291.db2.gz PPDGYSIVZRUHMG-MNOVXSKESA-N 1 0 335.433 1.357 50 0 EDAARO C[C@@H](CNC(=O)CCCOc1ccccc1F)N1CC[NH+](C)CC1 ZINC000069878993 203059896 /nfs/dbraw/zinc/05/98/96/203059896.db2.gz ZOLDQJREXMIRNJ-HNNXBMFYSA-N 1 0 337.439 1.737 50 0 EDAARO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)NC1CCCCC1 ZINC000069978672 203068926 /nfs/dbraw/zinc/06/89/26/203068926.db2.gz MBGOYNYZVRAOTF-INIZCTEOSA-N 1 0 336.480 1.705 50 0 EDAARO CCCC(=O)NCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071185648 203087897 /nfs/dbraw/zinc/08/78/97/203087897.db2.gz GFFPPCFAMJCORT-QGZVFWFLSA-N 1 0 331.460 1.931 50 0 EDAARO CCN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000071315475 203090810 /nfs/dbraw/zinc/09/08/10/203090810.db2.gz AQKFJDJBWBVKIE-KRWDZBQOSA-N 1 0 339.505 1.911 50 0 EDAARO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000071376435 203093411 /nfs/dbraw/zinc/09/34/11/203093411.db2.gz XOJICPQAZNBGBA-ZBFHGGJFSA-N 1 0 338.473 1.999 50 0 EDAARO COCCn1cncc1C[N@@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071764911 203111045 /nfs/dbraw/zinc/11/10/45/203111045.db2.gz JMXLQDRIDQSVQY-GOSISDBHSA-N 1 0 348.491 1.998 50 0 EDAARO O=C(NCCO)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071765095 203111194 /nfs/dbraw/zinc/11/11/94/203111194.db2.gz OYCBNTWWZJPRMF-SFHVURJKSA-N 1 0 345.487 1.472 50 0 EDAARO Cc1cc(C)n2nc(CC(=O)N3CC[NH+](C4CCCC4)CC3)nc2n1 ZINC000071795531 203114341 /nfs/dbraw/zinc/11/43/41/203114341.db2.gz OMDSYOHQTTXZON-UHFFFAOYSA-N 1 0 342.447 1.370 50 0 EDAARO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@H]3CCC[N@@H+]3C)c(C)c12 ZINC000071830038 203121952 /nfs/dbraw/zinc/12/19/52/203121952.db2.gz YVRGYGHSKHREKL-CYBMUJFWSA-N 1 0 345.447 1.021 50 0 EDAARO Cc1nc2ccnn2c(C)c1CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839726 203124912 /nfs/dbraw/zinc/12/49/12/203124912.db2.gz FCPKAMQVSQEEHY-INIZCTEOSA-N 1 0 341.459 1.975 50 0 EDAARO CN(C)c1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cn1 ZINC000071841813 203126662 /nfs/dbraw/zinc/12/66/62/203126662.db2.gz VMENBHITKGENCC-UHFFFAOYSA-N 1 0 333.480 1.246 50 0 EDAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000071909022 203146392 /nfs/dbraw/zinc/14/63/92/203146392.db2.gz GJXWDYXGZPWYDZ-BBRMVZONSA-N 1 0 340.851 1.818 50 0 EDAARO C[C@@H](CNC(=O)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000071867455 203133055 /nfs/dbraw/zinc/13/30/55/203133055.db2.gz YPFVUTGPMJJTCT-LBPRGKRZSA-N 1 0 340.265 1.815 50 0 EDAARO C[C@@H]([NH2+]CCn1cccn1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000071879233 203134785 /nfs/dbraw/zinc/13/47/85/203134785.db2.gz JJOXJFBGJPWPLN-QGZVFWFLSA-N 1 0 341.459 1.206 50 0 EDAARO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC000071883697 203137472 /nfs/dbraw/zinc/13/74/72/203137472.db2.gz XJRHEDWNBPTBMT-GOSISDBHSA-N 1 0 330.476 1.990 50 0 EDAARO CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000071893102 203138965 /nfs/dbraw/zinc/13/89/65/203138965.db2.gz 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ZINC000072411506 203216929 /nfs/dbraw/zinc/21/69/29/203216929.db2.gz CYNATWNMAGGRBG-UHFFFAOYSA-N 1 0 337.427 1.904 50 0 EDAARO CCc1nc2c(c(NCc3cnn(-c4ccccc4)n3)n1)CC[NH2+]CC2 ZINC000072436014 203224343 /nfs/dbraw/zinc/22/43/43/203224343.db2.gz TUNKXSUIWHFHTA-UHFFFAOYSA-N 1 0 349.442 1.920 50 0 EDAARO CC[NH+]1CCN(CCNC(=O)CCc2ccc3ccn(C)c3c2)CC1 ZINC000075550771 203318428 /nfs/dbraw/zinc/31/84/28/203318428.db2.gz YYXYVPWTZLWBRB-UHFFFAOYSA-N 1 0 342.487 1.865 50 0 EDAARO CCS(=O)(=O)NCCN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000076089722 203337921 /nfs/dbraw/zinc/33/79/21/203337921.db2.gz SCUFFYAIZAZYEK-INIZCTEOSA-N 1 0 339.505 1.522 50 0 EDAARO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@H]21 ZINC000077376559 203383430 /nfs/dbraw/zinc/38/34/30/203383430.db2.gz CZVXYXRKHKPPKK-SMDDNHRTSA-N 1 0 336.819 1.816 50 0 EDAARO COC(=O)c1cc(N2CCN(Cc3ncccc3C)CC2)ncn1 ZINC000077505456 203392389 /nfs/dbraw/zinc/39/23/89/203392389.db2.gz HVWDQVLWQGNBTD-UHFFFAOYSA-N 1 0 327.388 1.289 50 0 EDAARO 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O=C(CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2)N1CCOCC1 ZINC000066899185 441581426 /nfs/dbraw/zinc/58/14/26/441581426.db2.gz PYEZFZLZCPWQNK-INIZCTEOSA-N 1 0 346.427 1.844 50 0 EDAARO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c1 ZINC000076059320 441590739 /nfs/dbraw/zinc/59/07/39/441590739.db2.gz XDEIAGYGSCSAGV-FRQCXROJSA-N 1 0 345.443 1.647 50 0 EDAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000040462900 441621926 /nfs/dbraw/zinc/62/19/26/441621926.db2.gz RJPFBZMCIGOHCV-ZDUSSCGKSA-N 1 0 342.428 1.961 50 0 EDAARO C[NH+]1CCN(c2cc(CNC(=O)NCc3ccco3)ccn2)CC1 ZINC000040539894 441627966 /nfs/dbraw/zinc/62/79/66/441627966.db2.gz GNMPOLIVGRODRR-UHFFFAOYSA-N 1 0 329.404 1.426 50 0 EDAARO OC1CC[NH+]([C@@H]2CCN(Cc3cccc4cccnc43)C[C@H]2O)CC1 ZINC000067803757 441680482 /nfs/dbraw/zinc/68/04/82/441680482.db2.gz QZUNJYAUEWGDSW-RTBURBONSA-N 1 0 341.455 1.627 50 0 EDAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC000067803663 441680672 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Cc1ccc(OCC[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)cc1C ZINC000091859932 441748211 /nfs/dbraw/zinc/74/82/11/441748211.db2.gz XTWPNMFLZFHEIU-MOPGFXCFSA-N 1 0 349.471 1.907 50 0 EDAARO CCc1nnc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)o1 ZINC000091985685 441759602 /nfs/dbraw/zinc/75/96/02/441759602.db2.gz ZTRWGVDRCXEKRH-GOSISDBHSA-N 1 0 348.447 1.626 50 0 EDAARO Cc1nnnn1CCC[NH+]1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091665846 441728659 /nfs/dbraw/zinc/72/86/59/441728659.db2.gz VRZXZSIKDSVUQQ-UHFFFAOYSA-N 1 0 332.452 1.239 50 0 EDAARO Nc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)ccn1 ZINC000095354245 441911317 /nfs/dbraw/zinc/91/13/17/441911317.db2.gz LFZGMJUKSMYRCC-SWLSCSKDSA-N 1 0 343.456 1.857 50 0 EDAARO CCc1cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)nc(C)n1 ZINC000095361396 441912933 /nfs/dbraw/zinc/91/29/33/441912933.db2.gz RCHREFPQBNPIEL-IAGOWNOFSA-N 1 0 348.491 1.096 50 0 EDAARO O=C(Cc1ccc2c(c1)OCO2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000095367866 441913514 /nfs/dbraw/zinc/91/35/14/441913514.db2.gz MGZYPGIYPUEPOQ-UHFFFAOYSA-N 1 0 346.427 1.529 50 0 EDAARO CC[NH+]1CCC(CC(=O)N2CCN(CCn3cccc3)CC2)CC1 ZINC000095368547 441913656 /nfs/dbraw/zinc/91/36/56/441913656.db2.gz ONSPKCFLNTUBIP-UHFFFAOYSA-N 1 0 332.492 1.754 50 0 EDAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCn1ncc2ccccc2c1=O ZINC000095366713 441914330 /nfs/dbraw/zinc/91/43/30/441914330.db2.gz VHXCIKQRCRFPSL-INIZCTEOSA-N 1 0 328.416 1.387 50 0 EDAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000095382385 441917043 /nfs/dbraw/zinc/91/70/43/441917043.db2.gz SXZGKTPCZQUZRM-MRXNPFEDSA-N 1 0 334.464 1.720 50 0 EDAARO Cc1cccc2c1ncn(CC(=O)N1CCCC[C@@H]1C[NH+](C)C)c2=O ZINC000069347918 441920904 /nfs/dbraw/zinc/92/09/04/441920904.db2.gz YLLUJXQOQAWGOX-OAHLLOKOSA-N 1 0 342.443 1.648 50 0 EDAARO C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CN1C ZINC000095421116 441925854 /nfs/dbraw/zinc/92/58/54/441925854.db2.gz PZCPZEUSNFAITD-WMZOPIPTSA-N 1 0 333.476 1.580 50 0 EDAARO CN1CC[N@H+](C)Cc2ccc(NC(=O)CNC(=O)C(C)(C)C)cc21 ZINC000095992839 441973942 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Cc1ccc(-n2cc(S(=O)(=O)N3CCC(C[NH3+])CC3)cn2)cc1 ZINC000095972589 441964304 /nfs/dbraw/zinc/96/43/04/441964304.db2.gz MGIWICRCJFODTE-UHFFFAOYSA-N 1 0 334.445 1.540 50 0 EDAARO CCc1nnc2n1C[C@H](C[NH2+]Cc1ccccc1-n1cncn1)CC2 ZINC000069582375 441981495 /nfs/dbraw/zinc/98/14/95/441981495.db2.gz VBOMKQSMLUEQSS-AWEZNQCLSA-N 1 0 337.431 1.773 50 0 EDAARO CC[N@@H+]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000078880829 441981876 /nfs/dbraw/zinc/98/18/76/441981876.db2.gz QMNDZKLIXRPUQK-CQSZACIVSA-N 1 0 327.450 1.689 50 0 EDAARO O=C(Cn1cccn1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000078997389 442005928 /nfs/dbraw/zinc/00/59/28/442005928.db2.gz GGPWFWQLVSJRQS-UHFFFAOYSA-N 1 0 341.415 1.347 50 0 EDAARO CC[NH+]1CCN(CCC(=O)N[C@@H](CC(=O)OC)c2ccccc2)CC1 ZINC000079335578 442040033 /nfs/dbraw/zinc/04/00/33/442040033.db2.gz DNXXEHXQZPLHIQ-KRWDZBQOSA-N 1 0 347.459 1.435 50 0 EDAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000079330699 442040172 /nfs/dbraw/zinc/04/01/72/442040172.db2.gz PWDBWLKWLODJOP-HNNXBMFYSA-N 1 0 335.835 1.894 50 0 EDAARO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH+](C2CCC2)CC1 ZINC000096426521 442126144 /nfs/dbraw/zinc/12/61/44/442126144.db2.gz CIKGOXRHWYICPG-UHFFFAOYSA-N 1 0 340.221 1.448 50 0 EDAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)C1 ZINC000096433965 442128726 /nfs/dbraw/zinc/12/87/26/442128726.db2.gz NUDOCNKOTDXDNY-OAHLLOKOSA-N 1 0 343.435 1.919 50 0 EDAARO CC[C@@H](CNC(=O)NCc1ncnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000096437759 442130914 /nfs/dbraw/zinc/13/09/14/442130914.db2.gz CGMDYOWLKYJYOT-INIZCTEOSA-N 1 0 342.447 1.451 50 0 EDAARO CS[C@H]1CC[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000096452377 442135980 /nfs/dbraw/zinc/13/59/80/442135980.db2.gz JHPFRALIVFSIKM-HIFRSBDPSA-N 1 0 328.526 1.596 50 0 EDAARO CC(=O)NC1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000097109311 442170536 /nfs/dbraw/zinc/17/05/36/442170536.db2.gz UTSFMGUMUAWASC-OAHLLOKOSA-N 1 0 340.851 1.989 50 0 EDAARO Cn1cc(CNC[C@H](O)C[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000097160070 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Cn1cc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)nn1 ZINC000299757522 258075260 /nfs/dbraw/zinc/07/52/60/258075260.db2.gz IXDQDNBHMGGLHK-UHFFFAOYSA-N 1 0 342.447 1.988 50 0 EDAARO Cc1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc(N)[nH+]1 ZINC000052385076 132183101 /nfs/dbraw/zinc/18/31/01/132183101.db2.gz FDXGVWQYHCMQGF-UHFFFAOYSA-N 1 0 345.834 1.912 50 0 EDAARO Cn1cnc(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000333662620 141352359 /nfs/dbraw/zinc/35/23/59/141352359.db2.gz WQZKMYQHYKBOSW-WMLDXEAASA-N 1 0 331.464 1.621 50 0 EDAARO C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1nc2cccnc2[nH]1 ZINC000408473669 158371616 /nfs/dbraw/zinc/37/16/16/158371616.db2.gz HGBSMEIQBDGEBH-CHWSQXEVSA-N 1 0 336.399 1.742 50 0 EDAARO C[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1C(=O)N1CCOCC1 ZINC000408473667 158372000 /nfs/dbraw/zinc/37/20/00/158372000.db2.gz HAXJHFPJUYDDMC-GDBMZVCRSA-N 1 0 346.427 1.385 50 0 EDAARO C[NH+]1CCC2(CC1)OCCN2C(=O)c1ccc(Br)o1 ZINC000013728407 277036339 /nfs/dbraw/zinc/03/63/39/277036339.db2.gz CLAJJFJKXSYVLD-UHFFFAOYSA-N 1 0 329.194 1.936 50 0 EDAARO CC(C)(O)C[NH+]1CCN(C(=O)C[C@@H]2OCCc3sccc32)CC1 ZINC000069930097 277315598 /nfs/dbraw/zinc/31/55/98/277315598.db2.gz XXUDCBDKWHHUCF-AWEZNQCLSA-N 1 0 338.473 1.667 50 0 EDAARO CC(C)c1nccn1[C@H](C)C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067894232 278082251 /nfs/dbraw/zinc/08/22/51/278082251.db2.gz WOXIZYMYNQFMQU-MRXNPFEDSA-N 1 0 347.507 1.806 50 0 EDAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000179108546 278837648 /nfs/dbraw/zinc/83/76/48/278837648.db2.gz WYTJGPIRAFFOQN-MRVPVSSYSA-N 1 0 327.178 1.612 50 0 EDAARO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000083713465 279133659 /nfs/dbraw/zinc/13/36/59/279133659.db2.gz GXVORGHEDFNDRZ-INIZCTEOSA-N 1 0 342.447 1.853 50 0 EDAARO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC000069530922 282015451 /nfs/dbraw/zinc/01/54/51/282015451.db2.gz BLXUMTYWSUZBOF-LBPRGKRZSA-N 1 0 329.510 1.781 50 0 EDAARO CN(C)[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1F 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IKPJUDOXSMDDSN-INIZCTEOSA-N 1 0 347.463 1.914 50 0 EDAARO CCOC(=O)c1c(NC(=O)NCC[NH3+])sc2c1CC(C)(C)OC2 ZINC000006755179 441011863 /nfs/dbraw/zinc/01/18/63/441011863.db2.gz XSWUQNSCSONNAV-UHFFFAOYSA-N 1 0 341.433 1.856 50 0 EDAARO CCCC[N@H+](CCO)C[C@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006938887 441026520 /nfs/dbraw/zinc/02/65/20/441026520.db2.gz UWXYOSWPMILDDH-INIZCTEOSA-N 1 0 341.448 1.676 50 0 EDAARO Cn1cc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)cn1 ZINC000011873854 441125555 /nfs/dbraw/zinc/12/55/55/441125555.db2.gz HIFWWIBTQDESBH-SFHVURJKSA-N 1 0 346.406 1.203 50 0 EDAARO CC(=O)N1C[C@H]2CC[C@H](CN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000097394480 441139025 /nfs/dbraw/zinc/13/90/25/441139025.db2.gz BUZKNDFCJIKMIR-FUHWJXTLSA-N 1 0 329.444 1.831 50 0 EDAARO Cc1ocnc1C(=O)N1CCC2(CC[NH+](CC3CC3)CC2)[C@H](CO)C1 ZINC000097619665 441143168 /nfs/dbraw/zinc/14/31/68/441143168.db2.gz SRHRIYOIAQSLLJ-INIZCTEOSA-N 1 0 347.459 1.930 50 0 EDAARO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 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ZINC000105883062 441306088 /nfs/dbraw/zinc/30/60/88/441306088.db2.gz UXKNIMLUPXJPEO-CQSZACIVSA-N 1 0 329.404 1.637 50 0 EDAARO CN1CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)Cc2ccccc21 ZINC000083881719 441377760 /nfs/dbraw/zinc/37/77/60/441377760.db2.gz KIPYLBMBTMMZQQ-UHFFFAOYSA-N 1 0 342.443 1.803 50 0 EDAARO NC(=O)c1ccc(NCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000074058312 441386754 /nfs/dbraw/zinc/38/67/54/441386754.db2.gz TVYONDVWXZQRTB-OAHLLOKOSA-N 1 0 344.459 1.532 50 0 EDAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000106911702 441388527 /nfs/dbraw/zinc/38/85/27/441388527.db2.gz FUCHASRHXNGOTR-JSGCOSHPSA-N 1 0 349.456 1.429 50 0 EDAARO CCOC(=O)N1CCC([NH2+]CCNC(=O)c2ccccc2C)CC1 ZINC000064696513 441389191 /nfs/dbraw/zinc/38/91/91/441389191.db2.gz ZBSSIYGXZQZYDM-UHFFFAOYSA-N 1 0 333.432 1.935 50 0 in-vitro EDAARO Cc1ccc(C[N@H+]2CC=C(C(=O)NCCN3CCOCC3)CC2)cc1 ZINC000064817976 441393607 /nfs/dbraw/zinc/39/36/07/441393607.db2.gz PWAWWTLUZQNHMU-UHFFFAOYSA-N 1 0 343.471 1.576 50 0 EDAARO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000106573583 441358187 /nfs/dbraw/zinc/35/81/87/441358187.db2.gz AJJQJRHSLRILMF-GJZGRUSLSA-N 1 0 342.443 1.633 50 0 EDAARO CNS(=O)(=O)CC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000083606716 441365832 /nfs/dbraw/zinc/36/58/32/441365832.db2.gz QLUFJSREUWFDHE-UHFFFAOYSA-N 1 0 339.461 1.536 50 0 EDAARO CCn1ccnc1CN1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000083843608 441377443 /nfs/dbraw/zinc/37/74/43/441377443.db2.gz KERZXEVSHJVHIT-DOTOQJQBSA-N 1 0 333.480 1.278 50 0 EDAARO C[C@@H](NC(=O)CN1CC[N@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000107580890 441420223 /nfs/dbraw/zinc/42/02/23/441420223.db2.gz MUYZAPWSYVEQMC-ZIAGYGMSSA-N 1 0 333.432 1.271 50 0 EDAARO O=C(NCc1cccnc1-n1cncn1)C1([NH+]2CCCC2)CCCC1 ZINC000065404699 441427551 /nfs/dbraw/zinc/42/75/51/441427551.db2.gz OGZRQDKKTYCALM-UHFFFAOYSA-N 1 0 340.431 1.687 50 0 EDAARO C[C@H](CNC(=O)NCc1ccc(Cn2cncn2)cc1)[NH+]1CCCC1 ZINC000065427867 441431853 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O=C(CNC(=O)C1CC1)N[C@H](Cc1ccccc1)C[NH+]1CCCCC1 ZINC000065537135 441453927 /nfs/dbraw/zinc/45/39/27/441453927.db2.gz XMDBGPCVCAZGDO-GOSISDBHSA-N 1 0 343.471 1.726 50 0 EDAARO Cc1nc2ccccc2n1CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000089729982 441572892 /nfs/dbraw/zinc/57/28/92/441572892.db2.gz DXMCNHIJGNTJNQ-CQSZACIVSA-N 1 0 332.473 1.898 50 0 EDAARO C[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H]1[NH+](C)C ZINC000076050576 441586281 /nfs/dbraw/zinc/58/62/81/441586281.db2.gz TUEGYMWYBWAMLN-JQWIXIFHSA-N 1 0 331.338 1.276 50 0 EDAARO CN1C(=O)N[C@](C)([C@H]2CCC[N@H+](C[C@H](O)c3cccc(F)c3)C2)C1=O ZINC000076059067 441589508 /nfs/dbraw/zinc/58/95/08/441589508.db2.gz UABIPNYTPCUHIB-DHSIGJKJSA-N 1 0 349.406 1.511 50 0 EDAARO CN(C(=O)Cc1cccc(O)c1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000076083524 441595430 /nfs/dbraw/zinc/59/54/30/441595430.db2.gz GQUKQZZBCSOOOW-MRXNPFEDSA-N 1 0 332.444 1.894 50 0 EDAARO CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)[nH+]1 ZINC000036708076 441608379 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C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC(=O)NC1CCCC1 ZINC000055343802 441643225 /nfs/dbraw/zinc/64/32/25/441643225.db2.gz UVOQGZUFPBJCMN-GOSISDBHSA-N 1 0 343.471 1.998 50 0 EDAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc2ccccc2o1 ZINC000067541104 441650492 /nfs/dbraw/zinc/65/04/92/441650492.db2.gz AOFGWRCBGHFSQF-KGLIPLIRSA-N 1 0 329.400 1.843 50 0 EDAARO CCN(CC)C(=O)[C@@H]1C[C@H](n2cc(-c3cccc(OC)c3)nn2)C[NH2+]1 ZINC000067783853 441680209 /nfs/dbraw/zinc/68/02/09/441680209.db2.gz UTGWQIFHRNBTAR-HOCLYGCPSA-N 1 0 343.431 1.725 50 0 EDAARO Cc1n[nH]c(C)c1CC(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1 ZINC000067842798 441686391 /nfs/dbraw/zinc/68/63/91/441686391.db2.gz BLVCTTWMDPSFLK-UHFFFAOYSA-N 1 0 333.480 1.198 50 0 EDAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000067885353 441693017 /nfs/dbraw/zinc/69/30/17/441693017.db2.gz NSYDDHUCDBIYEE-CYBMUJFWSA-N 1 0 327.432 1.869 50 0 EDAARO CCCCc1c(C)[nH+]c(N)nc1N1CCC(O)(Cn2ccnc2)CC1 ZINC000091390854 441698499 /nfs/dbraw/zinc/69/84/99/441698499.db2.gz PHCPKXSUTFWTPX-UHFFFAOYSA-N 1 0 344.463 1.938 50 0 EDAARO O=C(C[N@@H+]1CC[C@@]2(C1)CCCNC2=O)NCCc1ccc(F)cc1 ZINC000091462280 441702619 /nfs/dbraw/zinc/70/26/19/441702619.db2.gz PBKFIEFEHFDCEU-GOSISDBHSA-N 1 0 333.407 1.087 50 0 EDAARO CN1CCN(c2cc3c(cc2F)n(O)c2c([n+]3=O)CCCC2)CC1 ZINC000136602835 441706878 /nfs/dbraw/zinc/70/68/78/441706878.db2.gz ZZBQAEMDBSFBKE-UHFFFAOYSA-N 1 0 333.387 1.563 50 0 EDAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@@H]1CO ZINC000091563361 441713512 /nfs/dbraw/zinc/71/35/12/441713512.db2.gz OOVNDFOWXYSOIB-VXGBXAGGSA-N 1 0 344.814 1.084 50 0 EDAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)CCc2ccc(F)cc2F)C1 ZINC000091587104 441715349 /nfs/dbraw/zinc/71/53/49/441715349.db2.gz FKDRVUZIFQXBPW-KGLIPLIRSA-N 1 0 340.414 1.916 50 0 EDAARO Cc1nc(CNc2nc(N)nc3c2CC[NH2+]C3)nc2c1CCCC2 ZINC000067713654 441670954 /nfs/dbraw/zinc/67/09/54/441670954.db2.gz DUYGLJABPFXRDX-UHFFFAOYSA-N 1 0 325.420 1.294 50 0 EDAARO 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CCC[NH+]1CCC(CC(=O)NC(C)(C)c2nnc(N)s2)CC1 ZINC000095527393 441950176 /nfs/dbraw/zinc/95/01/76/441950176.db2.gz LHXOHDKSUPGERH-UHFFFAOYSA-N 1 0 325.482 1.984 50 0 EDAARO NC(=O)CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095526735 441950560 /nfs/dbraw/zinc/95/05/60/441950560.db2.gz HMBUWAXDFHDXKV-ZWKOTPCHSA-N 1 0 343.471 1.808 50 0 EDAARO COc1ccccc1N1CCN(C(=O)[C@@H](C)C[NH+]2CCCC2)CC1=O ZINC000426434804 447443463 /nfs/dbraw/zinc/44/34/63/447443463.db2.gz FGJBMMORYBMADP-HNNXBMFYSA-N 1 0 345.443 1.602 50 0 EDAARO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)C1=COCCC1 ZINC000095976942 441966775 /nfs/dbraw/zinc/96/67/75/441966775.db2.gz NNWBJMFTMJLDPJ-FUHWJXTLSA-N 1 0 330.428 1.680 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(=O)n(CCOC)c1 ZINC000069653928 442001169 /nfs/dbraw/zinc/00/11/69/442001169.db2.gz YLEBGGIDHIYHPA-SJORKVTESA-N 1 0 347.459 1.584 50 0 EDAARO C[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2F)C[C@H]1[NH+](C)C ZINC000078896329 441989450 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O=c1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)nc2ccccn12 ZINC000069902258 442071589 /nfs/dbraw/zinc/07/15/89/442071589.db2.gz SQGZGRBXKUIQKR-AWEZNQCLSA-N 1 0 336.399 1.243 50 0 EDAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCOC1CCCCCC1 ZINC000096411453 442117817 /nfs/dbraw/zinc/11/78/17/442117817.db2.gz DKJRGFCEKSJLCX-OAHLLOKOSA-N 1 0 326.485 1.271 50 0 EDAARO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000096437736 442131062 /nfs/dbraw/zinc/13/10/62/442131062.db2.gz JVVJOVKURLUBSZ-MRXNPFEDSA-N 1 0 342.447 1.893 50 0 EDAARO COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c(C)c1F ZINC000096501617 442145335 /nfs/dbraw/zinc/14/53/35/442145335.db2.gz XWRZTTLWASXYFS-VXGBXAGGSA-N 1 0 330.425 1.904 50 0 EDAARO CS(=O)(=O)NCCC[NH2+]Cc1cc(O)ccc1Br ZINC000126332189 442100707 /nfs/dbraw/zinc/10/07/07/442100707.db2.gz KEPJOCVDWHGHGC-UHFFFAOYSA-N 1 0 337.239 1.184 50 0 EDAARO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000097096632 442167484 /nfs/dbraw/zinc/16/74/84/442167484.db2.gz 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330.388 1.247 50 0 EDAARO C[C@H](C[S@](C)=O)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194303185 442873864 /nfs/dbraw/zinc/87/38/64/442873864.db2.gz CSAQCYCVYVFSJT-WREIHNQOSA-N 1 0 337.489 1.575 50 0 EDAARO NC(=O)c1cccnc1N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000190817471 318571655 /nfs/dbraw/zinc/57/16/55/318571655.db2.gz DBODSPSZTXOJHU-MRXNPFEDSA-N 1 0 332.448 1.244 50 0 EDAARO NC(=O)NC(=O)CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000252463445 443024616 /nfs/dbraw/zinc/02/46/16/443024616.db2.gz SFYKBQBRMMBPBX-HZPDHXFCSA-N 1 0 330.432 1.310 50 0 EDAARO CO[C@H](C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1)c1ccccc1 ZINC000252483005 443027760 /nfs/dbraw/zinc/02/77/60/443027760.db2.gz DSEPMBBLYYXZMU-JKSUJKDBSA-N 1 0 326.462 1.776 50 0 EDAARO COc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)c2ccccc2n1 ZINC000223482800 443090370 /nfs/dbraw/zinc/09/03/70/443090370.db2.gz WHECPXHKWQCYJR-QRVDHSFSSA-N 1 0 341.411 1.691 50 0 EDAARO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000253415697 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1.227 50 0 EDAARO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1nncn1C ZINC000089913956 441594414 /nfs/dbraw/zinc/59/44/14/441594414.db2.gz RJLYCZWHGNXAME-OLZOCXBDSA-N 1 0 332.408 1.605 50 0 EDAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000089948659 441603601 /nfs/dbraw/zinc/60/36/01/441603601.db2.gz HZFDWYRXQALTEE-BMGDILEWSA-N 1 0 331.460 1.928 50 0 EDAARO C[NH+](C)CCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000035528909 441603837 /nfs/dbraw/zinc/60/38/37/441603837.db2.gz LQYYISHWTUGXLH-UHFFFAOYSA-N 1 0 332.448 1.998 50 0 EDAARO Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(CC[NH+](C)C)[C@@H](C)C2)cc1 ZINC000036075929 441605114 /nfs/dbraw/zinc/60/51/14/441605114.db2.gz KPXHOLANEHQTMJ-IYBDPMFKSA-N 1 0 339.505 1.640 50 0 EDAARO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000076178007 441606266 /nfs/dbraw/zinc/60/62/66/441606266.db2.gz LLLJQZZJZYYBHZ-KRWDZBQOSA-N 1 0 348.443 1.887 50 0 EDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000040534339 441627162 /nfs/dbraw/zinc/62/71/62/441627162.db2.gz SZRMOEWKOIWQSM-BETUJISGSA-N 1 0 339.461 1.042 50 0 EDAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000055403017 441647496 /nfs/dbraw/zinc/64/74/96/441647496.db2.gz AJJQJRHSLRILMF-LSDHHAIUSA-N 1 0 342.443 1.633 50 0 EDAARO COc1cc(-c2nc(CN3CC[C@H]([NH3+])C3)c(C)o2)cc2c1OCO2 ZINC000067514030 441648184 /nfs/dbraw/zinc/64/81/84/441648184.db2.gz GXKSOSASYYFSDW-LBPRGKRZSA-N 1 0 331.372 1.920 50 0 EDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@H](OC)C3)cnn2c1 ZINC000067804524 441680959 /nfs/dbraw/zinc/68/09/59/441680959.db2.gz PQYPGSICGBLJQP-OAHLLOKOSA-N 1 0 345.447 1.822 50 0 EDAARO CCn1c(=O)n(Cc2cn3cccc(C)c3n2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067817076 441683156 /nfs/dbraw/zinc/68/31/56/441683156.db2.gz AHNAQPLHKQRSKK-CQSZACIVSA-N 1 0 340.431 1.536 50 0 EDAARO CC1(C)CN(Cc2cscn2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091269924 441690266 /nfs/dbraw/zinc/69/02/66/441690266.db2.gz FUZZKTRAQZSMEH-INIZCTEOSA-N 1 0 325.478 1.438 50 0 EDAARO CC(C)(CO)[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067872630 441691725 /nfs/dbraw/zinc/69/17/25/441691725.db2.gz HFUCDSCDAZJGIY-QGZVFWFLSA-N 1 0 342.386 1.179 50 0 EDAARO CCCNc1ncc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cn1 ZINC000067881446 441692129 /nfs/dbraw/zinc/69/21/29/441692129.db2.gz KVRPHWVDDNPTAG-QGZVFWFLSA-N 1 0 346.435 1.109 50 0 EDAARO Cc1ccncc1C(=O)NCC[C@@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000067879907 441692626 /nfs/dbraw/zinc/69/26/26/441692626.db2.gz BRUOBMYXCVVYCA-MRXNPFEDSA-N 1 0 333.432 1.390 50 0 EDAARO O=C(NC[C@H]1CC[N@@H+](Cc2ccncc2F)C1)c1ccc[nH]c1=O ZINC000067909775 441695973 /nfs/dbraw/zinc/69/59/73/441695973.db2.gz BIKIHIVCTHYDGA-GFCCVEGCSA-N 1 0 330.363 1.161 50 0 EDAARO CCCCn1ccnc1C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000091475903 441704428 /nfs/dbraw/zinc/70/44/28/441704428.db2.gz IIHGGELHUVOQAK-INIZCTEOSA-N 1 0 334.464 1.768 50 0 EDAARO C[NH+](C)CCn1nnnc1S[C@H]1CCN(c2ccccc2)C1=O ZINC000068050676 441719094 /nfs/dbraw/zinc/71/90/94/441719094.db2.gz 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EDAARO Cc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c(C)n1 ZINC000095967496 441963012 /nfs/dbraw/zinc/96/30/12/441963012.db2.gz UTIUQKNIDAAGJO-GFCCVEGCSA-N 1 0 334.445 1.723 50 0 EDAARO CS(=O)(=O)NCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000095965759 441964023 /nfs/dbraw/zinc/96/40/23/441964023.db2.gz PEMPGKZGNWTDRL-KBPBESRZSA-N 1 0 330.450 1.497 50 0 EDAARO CC[N@@H+]1CCCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000069601842 441986607 /nfs/dbraw/zinc/98/66/07/441986607.db2.gz LRFKHJNZBYDRQM-UHFFFAOYSA-N 1 0 339.241 1.658 50 0 EDAARO CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCO2)n1 ZINC000078894352 441988439 /nfs/dbraw/zinc/98/84/39/441988439.db2.gz IDBSFAFRDRBXNW-CABCVRRESA-N 1 0 349.479 1.920 50 0 EDAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000069667290 442007764 /nfs/dbraw/zinc/00/77/64/442007764.db2.gz DEZUSCGGYUQNAQ-IAGOWNOFSA-N 1 0 340.427 1.670 50 0 EDAARO C[NH+]1CCN(Cc2ccc(-c3nc([C@H]4CCOC4)no3)cc2)CC1 ZINC000096136878 442042346 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C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H]2c2ccccc2)CC1=O ZINC000097463464 441139017 /nfs/dbraw/zinc/13/90/17/441139017.db2.gz CVKXWMBMWQIGGF-IRXDYDNUSA-N 1 0 329.444 1.760 50 0 EDAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000097425372 441139100 /nfs/dbraw/zinc/13/91/00/441139100.db2.gz DBTJXKHLXBYELG-LBPRGKRZSA-N 1 0 342.403 1.670 50 0 EDAARO C[C@@H](CSc1nnnn1-c1ccccc1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000097468311 441139178 /nfs/dbraw/zinc/13/91/78/441139178.db2.gz NFQBTRNTQPGJRS-LBPRGKRZSA-N 1 0 341.444 1.924 50 0 EDAARO COCC[NH+]1CCC(C(=O)N2CCN(c3cccc(O)c3)CC2)CC1 ZINC000097635022 441142789 /nfs/dbraw/zinc/14/27/89/441142789.db2.gz XBNYAGQTVRFOIF-UHFFFAOYSA-N 1 0 347.459 1.399 50 0 EDAARO O=C(Nc1cc(F)c2c(c1)NC(=O)CO2)N[C@@H]1C[NH+]2CCC1CC2 ZINC000097654222 441142949 /nfs/dbraw/zinc/14/29/49/441142949.db2.gz DXDAVZNFJRSWHT-CYBMUJFWSA-N 1 0 334.351 1.372 50 0 EDAARO COc1cccc(CCNC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000097490669 441140492 /nfs/dbraw/zinc/14/04/92/441140492.db2.gz QQWANNSNLVJKQL-MRXNPFEDSA-N 1 0 332.444 1.855 50 0 EDAARO O=C(NCCNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccnc1 ZINC000097756302 441143952 /nfs/dbraw/zinc/14/39/52/441143952.db2.gz ARYRERVCBJJPGE-HZPDHXFCSA-N 1 0 330.432 1.192 50 0 EDAARO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2ccccc2)CC1 ZINC000058265383 441167424 /nfs/dbraw/zinc/16/74/24/441167424.db2.gz NGDZJALVIBIHHE-UHFFFAOYSA-N 1 0 346.456 1.312 50 0 EDAARO Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)C[NH+](C)C)O3)n1 ZINC000014878752 441190330 /nfs/dbraw/zinc/19/03/30/441190330.db2.gz FFFBXRARXFHJOM-MRXNPFEDSA-N 1 0 340.427 1.742 50 0 EDAARO Cc1n[nH]c(C)c1CCCNC(=O)N1CCN(c2ccccn2)CC1 ZINC000426408883 447437837 /nfs/dbraw/zinc/43/78/37/447437837.db2.gz CVXKRJKWWJOWRM-UHFFFAOYSA-N 1 0 342.447 1.886 50 0 EDAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cn3c(n1)nc(C)cc3C)CC2 ZINC000071871764 441178122 /nfs/dbraw/zinc/17/81/22/441178122.db2.gz JVTXGSHVHLWSSW-ZDUSSCGKSA-N 1 0 325.420 1.605 50 0 EDAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@H](C)CO)CC2 ZINC000014538810 441186403 /nfs/dbraw/zinc/18/64/03/441186403.db2.gz NKSLNTYQYBKKSM-CQSZACIVSA-N 1 0 346.431 1.081 50 0 EDAARO CS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000058368352 441186487 /nfs/dbraw/zinc/18/64/87/441186487.db2.gz JVBSDSHPXKXSQN-AWEZNQCLSA-N 1 0 340.445 1.534 50 0 EDAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2nc3nccc(C)n3n2)c1 ZINC000058401648 441191113 /nfs/dbraw/zinc/19/11/13/441191113.db2.gz DNSSEBDLFAHXCW-UHFFFAOYSA-N 1 0 338.415 1.814 50 0 EDAARO C[C@@H](CO)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C ZINC000014537441 441186735 /nfs/dbraw/zinc/18/67/35/441186735.db2.gz LYBWZXUZQAWWSU-AWEZNQCLSA-N 1 0 331.416 1.296 50 0 EDAARO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000058391667 441189585 /nfs/dbraw/zinc/18/95/85/441189585.db2.gz DBDNDPYNZZQHDX-MRXNPFEDSA-N 1 0 333.407 1.309 50 0 EDAARO COC[C@@H](O)CNC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000015062349 441193925 /nfs/dbraw/zinc/19/39/25/441193925.db2.gz 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ZINC000072283206 441219325 /nfs/dbraw/zinc/21/93/25/441219325.db2.gz KKDVOMTZXKYUPE-OAHLLOKOSA-N 1 0 336.480 1.419 50 0 EDAARO COc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300785 441227075 /nfs/dbraw/zinc/22/70/75/441227075.db2.gz SKQMGGFZAHYOJX-YVEFUNNKSA-N 1 0 335.379 1.644 50 0 EDAARO C[C@]1([C@@H]2CCC[N@H+](CC[S@@](=O)c3ccccc3)C2)NC(=O)NC1=O ZINC000072300767 441227176 /nfs/dbraw/zinc/22/71/76/441227176.db2.gz IJDCGQSNTNXEKF-CNQLWYDMSA-N 1 0 349.456 1.104 50 0 EDAARO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1C=C[C@H](CO)C1 ZINC000081493060 441277790 /nfs/dbraw/zinc/27/77/90/441277790.db2.gz BRWPZKRAMGWMKT-LSDHHAIUSA-N 1 0 339.505 1.584 50 0 EDAARO CCOC(=O)CCc1c(C)nc2ncnn2c1N1CC[NH+](CC)CC1 ZINC000022347878 441279699 /nfs/dbraw/zinc/27/96/99/441279699.db2.gz DYIPHAFRDWFOHJ-UHFFFAOYSA-N 1 0 346.435 1.070 50 0 EDAARO O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000048287204 441286748 /nfs/dbraw/zinc/28/67/48/441286748.db2.gz QGPRQLKLJSVQFV-INIZCTEOSA-N 1 0 345.443 1.268 50 0 EDAARO Cc1csc(CCNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)n1 ZINC000082127033 441335772 /nfs/dbraw/zinc/33/57/72/441335772.db2.gz WBWQXEDKDVUIRW-CYBMUJFWSA-N 1 0 348.476 1.548 50 0 EDAARO Cc1cnn(CCC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000081667580 441301192 /nfs/dbraw/zinc/30/11/92/441301192.db2.gz KYIBVOXEJYAPGQ-UHFFFAOYSA-N 1 0 348.491 1.981 50 0 EDAARO CC[C@H]1CN(Cc2nc(-c3cccnc3)no2)CC[N@@H+]1C[C@H](C)O ZINC000106908717 441388823 /nfs/dbraw/zinc/38/88/23/441388823.db2.gz UVYPXAPKLHEBEI-ZFWWWQNUSA-N 1 0 331.420 1.409 50 0 EDAARO C[NH+](C)CCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000064846916 441394905 /nfs/dbraw/zinc/39/49/05/441394905.db2.gz GJYVKFGMICVWKV-UHFFFAOYSA-N 1 0 338.496 1.809 50 0 EDAARO O[C@H](Cn1cccn1)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000084367732 441395409 /nfs/dbraw/zinc/39/54/09/441395409.db2.gz ZHJDPDGDOCBYFG-KRWDZBQOSA-N 1 0 334.851 1.715 50 0 EDAARO CC(C)N1C(=O)N[C@]2(CC[N@H+](CCCOc3ccc(F)cc3)C2)C1=O ZINC000084597338 441408054 /nfs/dbraw/zinc/40/80/54/441408054.db2.gz WELPRNLTXDJZLK-SFHVURJKSA-N 1 0 349.406 1.999 50 0 EDAARO Cc1cc(N2CCCC2)n2nc(CN3CC[NH+](C(C)C)CC3)nc2n1 ZINC000065311553 441416185 /nfs/dbraw/zinc/41/61/85/441416185.db2.gz XIUFHFNKENPAAV-UHFFFAOYSA-N 1 0 343.479 1.559 50 0 EDAARO CC[C@@H](CNc1cc(N2CCCCC2)ncn1)[NH+]1CCN(C)CC1 ZINC000065435571 441432882 /nfs/dbraw/zinc/43/28/82/441432882.db2.gz QMYZIAYESSZZPZ-INIZCTEOSA-N 1 0 332.496 1.905 50 0 EDAARO CC(C)(C)NC(=O)NC(=O)C[NH2+]C(C)(C)c1ccc2c(c1)OCCO2 ZINC000065474613 441441890 /nfs/dbraw/zinc/44/18/90/441441890.db2.gz LHKSQBXKGOWTBG-UHFFFAOYSA-N 1 0 349.431 1.907 50 0 EDAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1C[C@@H]1C=CS(=O)(=O)C1 ZINC000065502157 441446336 /nfs/dbraw/zinc/44/63/36/441446336.db2.gz BNRUGMFGSWLLAT-LBPRGKRZSA-N 1 0 330.413 1.949 50 0 EDAARO COc1ccc(F)cc1C[N@@H+]1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000107058329 441400195 /nfs/dbraw/zinc/40/01/95/441400195.db2.gz UBDIFEDVGZYHBE-KBXCAEBGSA-N 1 0 349.450 1.819 50 0 EDAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCN1CC[NH+](C)CC1 ZINC000065613049 441470746 /nfs/dbraw/zinc/47/07/46/441470746.db2.gz HNMOEFPJPOEKGG-UHFFFAOYSA-N 1 0 332.423 1.522 50 0 EDAARO CC[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000075055089 441490931 /nfs/dbraw/zinc/49/09/31/441490931.db2.gz IFTMWQMVWUAUQF-INIZCTEOSA-N 1 0 325.416 1.849 50 0 EDAARO CCOc1ncccc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000065539809 441455027 /nfs/dbraw/zinc/45/50/27/441455027.db2.gz OFCWWJWQCVBPOK-HNNXBMFYSA-N 1 0 346.431 1.035 50 0 EDAARO Cc1ccccc1CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000065539614 441455566 /nfs/dbraw/zinc/45/55/66/441455566.db2.gz FMCHIQIJEWWLBP-KRWDZBQOSA-N 1 0 329.444 1.478 50 0 EDAARO C[NH+](C)C[C@@H]1CCCN1C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000075582562 441535221 /nfs/dbraw/zinc/53/52/21/441535221.db2.gz DSOKJFBRLWNGHU-HNNXBMFYSA-N 1 0 331.420 1.774 50 0 EDAARO Cc1noc2nc(C)cc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c12 ZINC000075606120 441540063 /nfs/dbraw/zinc/54/00/63/441540063.db2.gz ZXRGJKKRIOGTBS-CABCVRRESA-N 1 0 344.415 1.511 50 0 EDAARO COCC[NH+]1CCC(CNC(=O)c2ccccc2-n2cccn2)CC1 ZINC000089414458 441548309 /nfs/dbraw/zinc/54/83/09/441548309.db2.gz TUFWZWMEGLGDIL-UHFFFAOYSA-N 1 0 342.443 1.961 50 0 EDAARO Cc1nc(C2(NC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CCCC2)no1 ZINC000089718167 441572261 /nfs/dbraw/zinc/57/22/61/441572261.db2.gz JSXMXJQHCGLIFC-CYBMUJFWSA-N 1 0 333.436 1.931 50 0 EDAARO NC(=O)C1(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000089780646 441578075 /nfs/dbraw/zinc/57/80/75/441578075.db2.gz BVKUYCPRTXZRIJ-UHFFFAOYSA-N 1 0 332.322 1.957 50 0 EDAARO O=C(NCc1cccc2cccnc21)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000089807998 441581242 /nfs/dbraw/zinc/58/12/42/441581242.db2.gz CECAUGFBYKFJHC-SJORKVTESA-N 1 0 340.427 1.897 50 0 EDAARO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)[C@H](C)C1 ZINC000076056239 441588441 /nfs/dbraw/zinc/58/84/41/441588441.db2.gz FMHBCRHXFUJRES-GRYCIOLGSA-N 1 0 335.370 1.386 50 0 EDAARO 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CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000253428627 443067433 /nfs/dbraw/zinc/06/74/33/443067433.db2.gz QRWPMOBJKBEDTH-GRDNDAEWSA-N 1 0 343.489 1.865 50 0 EDAARO Cn1nccc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000253428598 443067686 /nfs/dbraw/zinc/06/76/86/443067686.db2.gz MNXKZBUHVKIPPZ-UHFFFAOYSA-N 1 0 335.433 1.010 50 0 EDAARO C[N@@H+]1C[C@H](NC(=O)c2ccnn2CC(F)F)[C@H](c2ccccc2)C1 ZINC000253430418 443068766 /nfs/dbraw/zinc/06/87/66/443068766.db2.gz WJEGHXUNPWJPGA-KBPBESRZSA-N 1 0 334.370 1.976 50 0 EDAARO Cc1nc(N)ncc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000221392492 443071654 /nfs/dbraw/zinc/07/16/54/443071654.db2.gz BENJVHFDWFJVRK-UHFFFAOYSA-N 1 0 326.404 1.157 50 0 EDAARO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CCO)CC1)c1cccc(F)c1 ZINC000222405900 443077683 /nfs/dbraw/zinc/07/76/83/443077683.db2.gz HZSJJNTTXLUIEE-QGZVFWFLSA-N 1 0 337.439 1.344 50 0 EDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000222433585 443079021 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C[NH+](C)C[C@H]1CN(C[C@@H](O)c2ccc(Br)cc2)CCO1 ZINC000229517486 443128685 /nfs/dbraw/zinc/12/86/85/443128685.db2.gz OOORMJLXCZNOGC-LSDHHAIUSA-N 1 0 343.265 1.745 50 0 EDAARO C[NH2+]C[C@H]1CCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000237293873 443168145 /nfs/dbraw/zinc/16/81/45/443168145.db2.gz HUKCVDLSANPCOX-GFCCVEGCSA-N 1 0 344.864 1.572 50 0 EDAARO COc1ccnc(N2CCC(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)n1 ZINC000237370370 443169925 /nfs/dbraw/zinc/16/99/25/443169925.db2.gz ABBYOGHLOOLVLP-DZGCQCFKSA-N 1 0 347.463 1.287 50 0 EDAARO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)N(C)Cc1ccc(Cl)cc1 ZINC000237633373 443177116 /nfs/dbraw/zinc/17/71/16/443177116.db2.gz NKJNBJYJNNXLOU-SMDDNHRTSA-N 1 0 331.869 1.828 50 0 EDAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000237671925 443178933 /nfs/dbraw/zinc/17/89/33/443178933.db2.gz HZRCYKZOIFCQDJ-YJBOKZPZSA-N 1 0 331.460 1.523 50 0 EDAARO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1C(F)(F)F ZINC000237776755 443182740 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Cc1cccc2ncnc(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)c12 ZINC000301828007 444192346 /nfs/dbraw/zinc/19/23/46/444192346.db2.gz QAHLHSRCYCFKLN-MRXNPFEDSA-N 1 0 339.443 1.857 50 0 EDAARO Cc1ncc2n1CC[C@H](C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000329703302 444686214 /nfs/dbraw/zinc/68/62/14/444686214.db2.gz IFWPXGRCPPPYIC-SJORKVTESA-N 1 0 346.475 1.325 50 0 EDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cn2ccccc2n1 ZINC000359471139 446243400 /nfs/dbraw/zinc/24/34/00/446243400.db2.gz IAABZBXGMLOPIN-INIZCTEOSA-N 1 0 345.447 1.587 50 0 EDAARO Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(F)ccc2OCC[NH3+])n1 ZINC000426478868 447451730 /nfs/dbraw/zinc/45/17/30/447451730.db2.gz INLCHNAEUGQUQX-GFCCVEGCSA-N 1 0 334.395 1.795 50 0 EDAARO CCn1cnnc1CSc1nnc(C[NH3+])n1-c1ccc(OC)cc1 ZINC000426504429 447460254 /nfs/dbraw/zinc/46/02/54/447460254.db2.gz FMKZKWFJTTVCMN-UHFFFAOYSA-N 1 0 345.432 1.638 50 0 EDAARO Cn1cnnc1CCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000426582855 447475987 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[NH3+][C@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000041028911 295335117 /nfs/dbraw/zinc/33/51/17/295335117.db2.gz DZFNKHGMACDNKP-LBPRGKRZSA-N 1 0 347.278 1.646 50 0 EDAARO C[C@@H]1C[C@@H](NC(=O)N2CCC(CC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000097080571 297271761 /nfs/dbraw/zinc/27/17/61/297271761.db2.gz BMPARGMRSNCYGB-UKRRQHHQSA-N 1 0 336.480 1.512 50 0 EDAARO CN(Cc1cnc(N)nc1)C(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000426360104 447423600 /nfs/dbraw/zinc/42/36/00/447423600.db2.gz HEUNZMAXJYGFBX-UHFFFAOYSA-N 1 0 333.367 1.198 50 0 EDAARO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000003406342 440898319 /nfs/dbraw/zinc/89/83/19/440898319.db2.gz WYOXWQTZGXGNBU-DTWKUNHWSA-N 1 0 338.437 1.138 50 0 EDAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 ZINC000044910963 440908984 /nfs/dbraw/zinc/90/89/84/440908984.db2.gz OGTOANSXLGIOHY-OAHLLOKOSA-N 1 0 343.431 1.582 50 0 EDAARO O=C(Cn1c(=O)cnc2ccccc21)N1CC[NH+](C2CCCC2)CC1 ZINC000045083461 440947005 /nfs/dbraw/zinc/94/70/05/440947005.db2.gz BUGGLYWNTRYIHW-UHFFFAOYSA-N 1 0 340.427 1.483 50 0 EDAARO C[C@@H](CN1CCOCC1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000044954838 440925977 /nfs/dbraw/zinc/92/59/77/440925977.db2.gz NPHCHTPGTPQUQQ-ZFWWWQNUSA-N 1 0 340.493 1.371 50 0 EDAARO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CC1 ZINC000044969135 440931285 /nfs/dbraw/zinc/93/12/85/440931285.db2.gz BUEIPBIDSJIBEN-UHFFFAOYSA-N 1 0 329.408 1.268 50 0 EDAARO Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(N)[nH+]1 ZINC000045723684 441023561 /nfs/dbraw/zinc/02/35/61/441023561.db2.gz QFBIUZPXMMEVIA-UHFFFAOYSA-N 1 0 327.388 1.418 50 0 EDAARO CCOC(=O)[C@H]1CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000007461565 441053242 /nfs/dbraw/zinc/05/32/42/441053242.db2.gz ISQORTUGLPUGRP-ZDUSSCGKSA-N 1 0 330.384 1.558 50 0 EDAARO NC(=O)c1ccc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000046093681 441081423 /nfs/dbraw/zinc/08/14/23/441081423.db2.gz RJTBMZJZJHAUER-LJQANCHMSA-N 1 0 339.439 1.637 50 0 EDAARO CCn1c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2nc(C)c1=O ZINC000046855415 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COc1cccc([C@H](CNC(=O)CCn2cncn2)[NH+]2CCCC2)c1 ZINC000041946512 441686694 /nfs/dbraw/zinc/68/66/94/441686694.db2.gz PTRRIAWXBGWWJQ-KRWDZBQOSA-N 1 0 343.431 1.630 50 0 EDAARO CNc1ncccc1C(=O)NC[C@@H]1CC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC000067934837 441698265 /nfs/dbraw/zinc/69/82/65/441698265.db2.gz MMRTVORMEAKXOG-ZDUSSCGKSA-N 1 0 328.420 1.407 50 0 EDAARO C[N@H+](CCO)C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H]1CO ZINC000091391302 441698693 /nfs/dbraw/zinc/69/86/93/441698693.db2.gz NZPKZDIHOZJQKV-VXGBXAGGSA-N 1 0 333.354 1.069 50 0 EDAARO Cn1cc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000091391137 441698742 /nfs/dbraw/zinc/69/87/42/441698742.db2.gz ACMXMUCRKYALMD-IBGZPJMESA-N 1 0 345.491 1.329 50 0 EDAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000091548272 441710777 /nfs/dbraw/zinc/71/07/77/441710777.db2.gz KURWUZYCFNNIDT-UHFFFAOYSA-N 1 0 337.431 1.835 50 0 EDAARO Cn1nc(C(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1-c1ccccc1 ZINC000091586161 441715410 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Cc1ncc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)c(=O)[nH]1 ZINC000091943408 441754965 /nfs/dbraw/zinc/75/49/65/441754965.db2.gz DICYCRHKSVXIIC-UHFFFAOYSA-N 1 0 332.429 1.900 50 0 EDAARO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)CC[C@@]1(O)C1CC1 ZINC000092045588 441766285 /nfs/dbraw/zinc/76/62/85/441766285.db2.gz UDSANJDOLVBMRU-KUHUBIRLSA-N 1 0 334.435 1.967 50 0 EDAARO Cc1cc(C)n(CCC[N@@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091644060 441725020 /nfs/dbraw/zinc/72/50/20/441725020.db2.gz DSRNFQDYTQJBQL-SFHVURJKSA-N 1 0 334.464 1.197 50 0 EDAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000091676986 441728477 /nfs/dbraw/zinc/72/84/77/441728477.db2.gz NQEOCNDRKCKPIX-UKRRQHHQSA-N 1 0 342.436 1.557 50 0 EDAARO Cc1cc(C)c(C(=O)N[C@@H]2c3ccccc3C[C@H]2[NH+](C)C)c(=O)[nH]1 ZINC000091694975 441730212 /nfs/dbraw/zinc/73/02/12/441730212.db2.gz GNVQLLHCNZJLIM-NVXWUHKLSA-N 1 0 325.412 1.949 50 0 EDAARO O=C(Cc1ccccc1)N1C[C@H](CO)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000092081086 441772147 /nfs/dbraw/zinc/77/21/47/441772147.db2.gz ICOJGWKSCURNFO-RTBURBONSA-N 1 0 346.471 1.000 50 0 EDAARO COCCN1C[C@@H](c2nc(CC3CC[NH+](C)CC3)no2)CCC1=O ZINC000092107927 441774110 /nfs/dbraw/zinc/77/41/10/441774110.db2.gz PDIISMIQCIEIEO-AWEZNQCLSA-N 1 0 336.436 1.306 50 0 EDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCn1c2ccccc2n(C)c1=O ZINC000122001335 441826204 /nfs/dbraw/zinc/82/62/04/441826204.db2.gz CLBAHFYKUODYOG-UONOGXRCSA-N 1 0 330.432 1.458 50 0 EDAARO C[C@H](CNC(=O)c1ccnc(OC(C)(C)C)c1)N1CC[NH+](C)CC1 ZINC000094135674 441908162 /nfs/dbraw/zinc/90/81/62/441908162.db2.gz DOEDWLXGCIAPFD-CQSZACIVSA-N 1 0 334.464 1.625 50 0 EDAARO Cc1nc(C)n(CCNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)n1 ZINC000095362098 441913122 /nfs/dbraw/zinc/91/31/22/441913122.db2.gz YWAXQJLGQFHMLN-QGZVFWFLSA-N 1 0 327.432 1.792 50 0 EDAARO CN(C)C(=O)N1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095368065 441913221 /nfs/dbraw/zinc/91/32/21/441913221.db2.gz XKJQNLKXPMHLFB-QGZVFWFLSA-N 1 0 344.459 1.593 50 0 EDAARO Cc1cc([C@H]2CCC[N@@H+](Cc3cc(=O)n4nc(C)sc4n3)C2)[nH]n1 ZINC000095402736 441923156 /nfs/dbraw/zinc/92/31/56/441923156.db2.gz ZTJYSHIYNCVCFT-LBPRGKRZSA-N 1 0 344.444 1.871 50 0 EDAARO CNC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000095984181 441969533 /nfs/dbraw/zinc/96/95/33/441969533.db2.gz NZKICAPAWFEQBC-LBPRGKRZSA-N 1 0 337.851 1.975 50 0 EDAARO CCCS(=O)(=O)NC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000095987175 441971991 /nfs/dbraw/zinc/97/19/91/441971991.db2.gz ZSKNPZROEYAQKP-IRXDYDNUSA-N 1 0 338.473 1.439 50 0 EDAARO CSCC[C@H]([NH3+])C(=O)N1CCN(c2ncccc2Cl)CC1 ZINC000095996095 441974818 /nfs/dbraw/zinc/97/48/18/441974818.db2.gz KXTSIKBUTGTMIO-LBPRGKRZSA-N 1 0 328.869 1.464 50 0 EDAARO C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000078394470 441928018 /nfs/dbraw/zinc/92/80/18/441928018.db2.gz FCAPVTSKCBCYDM-MRXNPFEDSA-N 1 0 331.464 1.493 50 0 EDAARO CCOC(=O)N1CCN(C(=O)C[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000095462568 441931925 /nfs/dbraw/zinc/93/19/25/441931925.db2.gz WDWODLOGGLULBE-ZIAGYGMSSA-N 1 0 325.453 1.701 50 0 EDAARO COc1ccc(CN2C[C@@H](C(=O)NC3CC[NH+](C)CC3)CC2=O)cc1 ZINC000069420236 441932062 /nfs/dbraw/zinc/93/20/62/441932062.db2.gz PEXOMVDUEAVESR-HNNXBMFYSA-N 1 0 345.443 1.254 50 0 EDAARO Cc1ncnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)c1C ZINC000095497006 441937124 /nfs/dbraw/zinc/93/71/24/441937124.db2.gz IMOTYYFZTKBWDE-QGZVFWFLSA-N 1 0 345.491 1.862 50 0 EDAARO CC(C)[NH+]1CCC(C(=O)N2CCc3[nH]nc(C(=O)N(C)C)c3C2)CC1 ZINC000095506339 441941144 /nfs/dbraw/zinc/94/11/44/441941144.db2.gz GLAJFNVYENHZKE-UHFFFAOYSA-N 1 0 347.463 1.117 50 0 EDAARO COc1cc(C)c(CN(C)C(=O)C2(OC)CC[NH2+]CC2)cc1OC ZINC000150747002 441941766 /nfs/dbraw/zinc/94/17/66/441941766.db2.gz PIALLXSHZGAWQS-UHFFFAOYSA-N 1 0 336.432 1.739 50 0 EDAARO CC(C)CCN1C(=O)N(Cc2ncccn2)C(=O)C12CC[NH2+]CC2 ZINC000095506334 441941940 /nfs/dbraw/zinc/94/19/40/441941940.db2.gz PYOYMQAFRRWZNG-UHFFFAOYSA-N 1 0 331.420 1.409 50 0 EDAARO Cc1ncc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cn1 ZINC000095517287 441945003 /nfs/dbraw/zinc/94/50/03/441945003.db2.gz QTVKPPIQZGKRGA-OAHLLOKOSA-N 1 0 342.447 1.563 50 0 EDAARO Cc1ccc(-c2noc(-c3cn(CC[C@H]4CCCC[NH2+]4)nn3)n2)nn1 ZINC000095521013 441947861 /nfs/dbraw/zinc/94/78/61/441947861.db2.gz MSSSMPFKBVYOLP-GFCCVEGCSA-N 1 0 340.391 1.626 50 0 EDAARO CNc1snc(C)c1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000095952995 441958157 /nfs/dbraw/zinc/95/81/57/441958157.db2.gz WESRHWCRONEZNY-UHFFFAOYSA-N 1 0 338.477 1.678 50 0 EDAARO CN(C)c1cccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)c1 ZINC000095967670 441962971 /nfs/dbraw/zinc/96/29/71/441962971.db2.gz VHGJSHSHKQEUHL-UHFFFAOYSA-N 1 0 346.519 1.639 50 0 EDAARO CC(C)[C@](O)(C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000069533013 441967853 /nfs/dbraw/zinc/96/78/53/441967853.db2.gz LXPKKSSPUNYSSB-DLBZAZTESA-N 1 0 340.489 1.544 50 0 EDAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000078898633 441991250 /nfs/dbraw/zinc/99/12/50/441991250.db2.gz DCKDUFYNSPECBL-CXAGYDPISA-N 1 0 345.443 1.287 50 0 EDAARO CC[C@H](C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000069654969 442001498 /nfs/dbraw/zinc/00/14/98/442001498.db2.gz HNWWIXAPRRYEKH-OUCADQQQSA-N 1 0 345.451 1.686 50 0 EDAARO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1 ZINC000069659167 442004788 /nfs/dbraw/zinc/00/47/88/442004788.db2.gz HXNJMIMWLUIMMB-WBVHZDCISA-N 1 0 349.456 1.485 50 0 EDAARO CCn1c(CN(C)C)nnc1C1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000096141766 442043556 /nfs/dbraw/zinc/04/35/56/442043556.db2.gz LCRJTXCWCRGNDY-UHFFFAOYSA-N 1 0 344.467 1.424 50 0 EDAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc(=O)n3ccccc3n2)n1 ZINC000069738309 442024685 /nfs/dbraw/zinc/02/46/85/442024685.db2.gz FGXARFOMFGTUER-MRXNPFEDSA-N 1 0 338.415 1.567 50 0 EDAARO CC[C@@H]1CN(CC(=O)Nc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC000069738106 442024918 /nfs/dbraw/zinc/02/49/18/442024918.db2.gz DIKLPRRVEKUWBQ-CQSZACIVSA-N 1 0 340.493 1.741 50 0 EDAARO CCCCC(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000096121335 442038768 /nfs/dbraw/zinc/03/87/68/442038768.db2.gz UMPGZURGVVHQCS-UHFFFAOYSA-N 1 0 333.436 1.152 50 0 EDAARO Cc1nn(C)c2nc(N3CCC(O)(C[NH+]4CCCC4)CC3)sc12 ZINC000096130458 442041271 /nfs/dbraw/zinc/04/12/71/442041271.db2.gz BZGAUYFZWJLGSK-UHFFFAOYSA-N 1 0 335.477 1.765 50 0 EDAARO C[C@]1(O)CC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C[C@@H]1O ZINC000096150993 442046241 /nfs/dbraw/zinc/04/62/41/442046241.db2.gz PESOQEGKCPEFCR-LPHOPBHVSA-N 1 0 327.380 1.828 50 0 EDAARO O=C(NCCNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1Cl ZINC000096153638 442046282 /nfs/dbraw/zinc/04/62/82/442046282.db2.gz UYIKOGTZVFFBTO-CYBMUJFWSA-N 1 0 335.835 1.576 50 0 EDAARO CN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)NCC[NH+](C)C ZINC000096210488 442085785 /nfs/dbraw/zinc/08/57/85/442085785.db2.gz GYHGJVZKBXVNBI-UHFFFAOYSA-N 1 0 331.395 1.640 50 0 EDAARO O=C(NCc1cccc(OCc2ccccc2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000097136793 442173443 /nfs/dbraw/zinc/17/34/43/442173443.db2.gz XPMFRYFJLHWQRA-SJLPKXTDSA-N 1 0 326.396 1.605 50 0 EDAARO Cn1cc(C[NH2+]CC(=O)NCc2ccco2)c(-c2ccncc2)n1 ZINC000097159873 442176898 /nfs/dbraw/zinc/17/68/98/442176898.db2.gz FWPHKLCLIRTJKT-UHFFFAOYSA-N 1 0 325.372 1.481 50 0 EDAARO Cc1ncc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(C)n1 ZINC000097295336 442190874 /nfs/dbraw/zinc/19/08/74/442190874.db2.gz PGZDYRMLMGALIA-UHFFFAOYSA-N 1 0 325.416 1.883 50 0 EDAARO C[NH+](C)[C@H]1CN(Cc2cnc(SCc3ccccc3)nc2)C[C@@H]1O ZINC000097272443 442190947 /nfs/dbraw/zinc/19/09/47/442190947.db2.gz FLIUCOZALFNGDX-IRXDYDNUSA-N 1 0 344.484 1.876 50 0 EDAARO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 ZINC000097375593 442192760 /nfs/dbraw/zinc/19/27/60/442192760.db2.gz BODUWVOSRYDHDQ-INIZCTEOSA-N 1 0 333.457 1.720 50 0 EDAARO COc1ccc([C@@H]2[C@H](CNC(=O)c3cnn(C)c3N)CC[N@@H+]2C)cc1 ZINC000097376058 442192946 /nfs/dbraw/zinc/19/29/46/442192946.db2.gz VKTZWUHYXHWDBU-XJKSGUPXSA-N 1 0 343.431 1.434 50 0 EDAARO Cn1cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000097033920 442158330 /nfs/dbraw/zinc/15/83/30/442158330.db2.gz OMZGVEJDDDKBKO-UHFFFAOYSA-N 1 0 347.507 1.458 50 0 EDAARO C[C@H](O)CC[N@H+](C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000170086856 442228714 /nfs/dbraw/zinc/22/87/14/442228714.db2.gz MXEOAJQRILEDGW-KBPBESRZSA-N 1 0 326.462 1.990 50 0 EDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000170885389 442283103 /nfs/dbraw/zinc/28/31/03/442283103.db2.gz OJYKUJLXEYOPID-KRWDZBQOSA-N 1 0 349.479 1.586 50 0 EDAARO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000154247750 442328802 /nfs/dbraw/zinc/32/88/02/442328802.db2.gz CXVHMENXSCFMIZ-PHIMTYICSA-N 1 0 344.864 1.956 50 0 EDAARO CC[N@H+](C)[C@@H](C(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000171481227 442352205 /nfs/dbraw/zinc/35/22/05/442352205.db2.gz LKWKQKJNLVDKOF-GOSISDBHSA-N 1 0 339.443 1.818 50 0 EDAARO O=C1C[C@@H]([NH2+]Cc2ccccc2Cl)CN1CCN1CCOCC1 ZINC000172698090 442522513 /nfs/dbraw/zinc/52/25/13/442522513.db2.gz DCKCLKNVWCGNDU-OAHLLOKOSA-N 1 0 337.851 1.363 50 0 EDAARO 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CS(=O)(=O)NC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000073276716 203262892 /nfs/dbraw/zinc/26/28/92/203262892.db2.gz ZUBXUSCIVAKDAT-UHFFFAOYSA-N 1 0 334.445 1.386 50 0 EDAARO O=C(NCC[NH+]1CCCCC1)c1nnn2c1c(=O)[nH]c1ccccc12 ZINC000075532965 203317462 /nfs/dbraw/zinc/31/74/62/203317462.db2.gz ITOVODQNJWMXBQ-UHFFFAOYSA-N 1 0 340.387 1.199 50 0 EDAARO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000075583820 203319406 /nfs/dbraw/zinc/31/94/06/203319406.db2.gz SBVMEIUFFVFRSP-MRXNPFEDSA-N 1 0 330.432 1.436 50 0 EDAARO c1ccc(-c2noc(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)n2)nc1 ZINC000077505641 203392075 /nfs/dbraw/zinc/39/20/75/203392075.db2.gz IEGPXILVBLXCDO-CQSZACIVSA-N 1 0 344.415 1.992 50 0 EDAARO C[C@H](CN1CC2(CCN(C(=O)CC[NH3+])CC2)OC1=O)c1ccccc1 ZINC000077520589 203392654 /nfs/dbraw/zinc/39/26/54/203392654.db2.gz MATDWTBXJGUERX-OAHLLOKOSA-N 1 0 345.443 1.952 50 0 EDAARO O=C1C[C@@H](Cn2cnc3sc4c(c3c2=O)CC[NH2+]C4)CN1C1CC1 ZINC000077519164 203393179 /nfs/dbraw/zinc/39/31/79/203393179.db2.gz VVAJUAYBKMUWTA-JTQLQIEISA-N 1 0 344.440 1.115 50 0 EDAARO [NH3+][C@@H]1CCN(C(=O)c2cccc(N3Cc4ccccc4C3)c2)C[C@H]1O ZINC000082139187 203498299 /nfs/dbraw/zinc/49/82/99/203498299.db2.gz QSCDZDRHEORDBA-RTBURBONSA-N 1 0 337.423 1.741 50 0 EDAARO O=C(c1ccc(N2CCCC2)cc1)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091829992 203653590 /nfs/dbraw/zinc/65/35/90/203653590.db2.gz DECOKQOPGCCNMK-LPHOPBHVSA-N 1 0 329.444 1.473 50 0 EDAARO OCCc1ccccc1-n1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091943820 203659836 /nfs/dbraw/zinc/65/98/36/203659836.db2.gz JHLPAVXHBRJWPY-UHFFFAOYSA-N 1 0 338.415 1.590 50 0 EDAARO C[C@@H]1CN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000155223913 205003579 /nfs/dbraw/zinc/00/35/79/205003579.db2.gz MLXBUSYMGLZPCN-LLVKDONJSA-N 1 0 329.356 1.547 50 0 EDAARO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000130158964 205226380 /nfs/dbraw/zinc/22/63/80/205226380.db2.gz GKXZBUPGDICPMO-SJLPKXTDSA-N 1 0 327.428 1.936 50 0 EDAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)nc1 ZINC000248543533 139167111 /nfs/dbraw/zinc/16/71/11/139167111.db2.gz CMYJTDYEKAHLCR-VXGBXAGGSA-N 1 0 331.338 1.964 50 0 EDAARO O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](CCCn1ccnc1)C2 ZINC000091872549 218081650 /nfs/dbraw/zinc/08/16/50/218081650.db2.gz XXXATYQRIRJFLD-LJQANCHMSA-N 1 0 346.475 1.767 50 0 EDAARO COc1cc2[nH+]ccc(NCC3(CO)CCOCC3)c2cc1OC ZINC000408521555 250301745 /nfs/dbraw/zinc/30/17/45/250301745.db2.gz YUQMASZYMYWPFS-UHFFFAOYSA-N 1 0 332.400 1.875 50 0 EDAARO [NH3+]CC1(C(=O)NCc2ccccc2OCC(F)(F)F)CCOCC1 ZINC000261849978 139231362 /nfs/dbraw/zinc/23/13/62/139231362.db2.gz BEDSXDYLIOPGJK-UHFFFAOYSA-N 1 0 346.349 1.999 50 0 EDAARO CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccco1 ZINC000011999375 207052372 /nfs/dbraw/zinc/05/23/72/207052372.db2.gz LFYGHWMMCHZZLB-GFCCVEGCSA-N 1 0 338.385 1.590 50 0 EDAARO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1Cl ZINC000095467158 285042829 /nfs/dbraw/zinc/04/28/29/285042829.db2.gz ACYFLKNUCOYKFC-MRVPVSSYSA-N 1 0 328.743 1.999 50 0 EDAARO COc1ccccc1CN(CCCO)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000426434390 254491929 /nfs/dbraw/zinc/49/19/29/254491929.db2.gz AGZAPUWHGGJTFZ-INIZCTEOSA-N 1 0 349.475 1.931 50 0 EDAARO Cc1cc(C)n(C2CN(C(=O)Cc3cccc(OCC[NH3+])c3)C2)n1 ZINC000426531066 257964520 /nfs/dbraw/zinc/96/45/20/257964520.db2.gz WEJSMVYQWQFSPG-UHFFFAOYSA-N 1 0 328.416 1.463 50 0 EDAARO C[NH2+]CC1CCN(S(=O)(=O)c2c(C)cc(OC)cc2C)CC1 ZINC000299743100 257932900 /nfs/dbraw/zinc/93/29/00/257932900.db2.gz LUFSVGOGJFTWGE-UHFFFAOYSA-N 1 0 326.462 1.932 50 0 EDAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCCn1nnc(-c2ccccc2)n1 ZINC000237469946 257945303 /nfs/dbraw/zinc/94/53/03/257945303.db2.gz XMZPFFZQMRASDI-HIFRSBDPSA-N 1 0 328.420 1.459 50 0 EDAARO O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280919976 258014399 /nfs/dbraw/zinc/01/43/99/258014399.db2.gz UBEOSGUWDVMOSE-FVQBIDKESA-N 1 0 342.361 1.942 50 0 EDAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 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1.316 50 0 EDAARO O=C(NC[C@H](O)C[NH+]1CCCC1)Nc1ccccc1-n1cccn1 ZINC000299766821 258081237 /nfs/dbraw/zinc/08/12/37/258081237.db2.gz FYVZSPVRPKTDGJ-AWEZNQCLSA-N 1 0 329.404 1.451 50 0 EDAARO COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1C ZINC000084041493 292020067 /nfs/dbraw/zinc/02/00/67/292020067.db2.gz KCPGFKIPEWCVEJ-CYBMUJFWSA-N 1 0 340.445 1.496 50 0 EDAARO O=C1Nc2ncccc2O[C@@H]1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000001395267 135654859 /nfs/dbraw/zinc/65/48/59/135654859.db2.gz SLKFPBRHJBZLFQ-QGZVFWFLSA-N 1 0 338.411 1.993 50 0 EDAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1nn(C)cc1Br ZINC000333604660 141343831 /nfs/dbraw/zinc/34/38/31/141343831.db2.gz WZSQFXYWVMQWQF-SNVBAGLBSA-N 1 0 344.257 1.418 50 0 EDAARO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(=O)NC(N)=O)cc1OC ZINC000069486616 286301354 /nfs/dbraw/zinc/30/13/54/286301354.db2.gz PAPDUVXEBOEYJZ-CQSZACIVSA-N 1 0 349.431 1.686 50 0 EDAARO COCCC[C@@]1(CO)CCC[N@H+](CC(C)(C)N2CCOCC2)C1 ZINC000091350688 292379407 /nfs/dbraw/zinc/37/94/07/292379407.db2.gz JVDIXVFSBALXFT-SFHVURJKSA-N 1 0 328.497 1.598 50 0 EDAARO CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282663863 273696981 /nfs/dbraw/zinc/69/69/81/273696981.db2.gz BTLBYQIUNWMPNV-OAHLLOKOSA-N 1 0 331.416 1.815 50 0 EDAARO NC(=O)CC1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283664558 273921433 /nfs/dbraw/zinc/92/14/33/273921433.db2.gz UUZZDOWBNSAOMH-MRXNPFEDSA-N 1 0 329.444 1.736 50 0 EDAARO COc1ccc(C[C@H](C)[NH2+][C@H]2COC[C@H]2n2ccnn2)cc1OC ZINC000284983134 274412132 /nfs/dbraw/zinc/41/21/32/274412132.db2.gz YTKZBKAVQDUUBH-AEGPPILISA-N 1 0 332.404 1.456 50 0 EDAARO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000333235379 274417465 /nfs/dbraw/zinc/41/74/65/274417465.db2.gz CXEMAHZNCAXTEI-AJNGGQMLSA-N 1 0 335.427 1.240 50 0 EDAARO COc1cccc(C[NH+]2CCC3(CC2)CN(C(C)C)C(=O)C(=O)O3)c1 ZINC000072446983 278010083 /nfs/dbraw/zinc/01/00/83/278010083.db2.gz NWOFRAXZZIPGPK-UHFFFAOYSA-N 1 0 346.427 1.824 50 0 EDAARO C[C@@H](NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000069779022 278329590 /nfs/dbraw/zinc/32/95/90/278329590.db2.gz RAGOJZRZBLPWFR-DVOMOZLQSA-N 1 0 339.867 1.826 50 0 EDAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@@H](Cc1ccccc1)CN(C)C)CN2 ZINC000058428875 278762524 /nfs/dbraw/zinc/76/25/24/278762524.db2.gz XKKFBGBQQILOJM-MSOLQXFVSA-N 1 0 327.476 1.996 50 0 EDAARO Cc1[nH+]c(N(C)C)nc(N2CCC[C@]3(CN(C)C(=O)O3)CC2)c1C ZINC000072128957 279087714 /nfs/dbraw/zinc/08/77/14/279087714.db2.gz NYXCILCLEJDJLP-QGZVFWFLSA-N 1 0 333.436 1.971 50 0 EDAARO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC000241466080 280173221 /nfs/dbraw/zinc/17/32/21/280173221.db2.gz NURIFHRZGAGZJA-GJYPPUQNSA-N 1 0 327.428 1.139 50 0 EDAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000092046687 280183102 /nfs/dbraw/zinc/18/31/02/280183102.db2.gz RKLWLJXHYIEYCZ-HDICACEKSA-N 1 0 344.455 1.630 50 0 EDAARO Cc1ccc2c(c1)N(CC(=O)NCC[NH+]1CCCCCC1)C(=O)CO2 ZINC000000423135 440822235 /nfs/dbraw/zinc/82/22/35/440822235.db2.gz ZULLPAUMCOWZRJ-UHFFFAOYSA-N 1 0 345.443 1.713 50 0 EDAARO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000044866092 440894105 /nfs/dbraw/zinc/89/41/05/440894105.db2.gz ZRSCTIARFYDQPA-UHFFFAOYSA-N 1 0 326.462 1.549 50 0 EDAARO Cc1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCCCC1)C(=O)CO2 ZINC000003907243 440909380 /nfs/dbraw/zinc/90/93/80/440909380.db2.gz FLTBTFPBKDLPPO-UHFFFAOYSA-N 1 0 345.443 1.713 50 0 EDAARO COc1ccccc1[C@H](CNC(=O)[C@@H](C)n1cncn1)[NH+]1CCCC1 ZINC000044910927 440909404 /nfs/dbraw/zinc/90/94/04/440909404.db2.gz UEJRWYARKPALDE-ZBFHGGJFSA-N 1 0 343.431 1.801 50 0 EDAARO C[C@H](NC(=O)[C@H](O)C[NH+]1CCCCC1)[C@H]1COc2ccccc2O1 ZINC000004811906 440928456 /nfs/dbraw/zinc/92/84/56/440928456.db2.gz LQMCJXNMRPKICH-JJRVBVJISA-N 1 0 334.416 1.178 50 0 EDAARO Oc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000006092289 440980516 /nfs/dbraw/zinc/98/05/16/440980516.db2.gz JLVNEHKORQFVQJ-PYIJOLGTSA-N 1 0 343.423 1.317 50 0 in-vivo EDAARO CC1CCC([NH2+]CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000006566423 440999968 /nfs/dbraw/zinc/99/99/68/440999968.db2.gz RSBHPKDUFKNHOV-UHFFFAOYSA-N 1 0 325.434 1.441 50 0 EDAARO CCCC[N@H+](CCO)C[C@@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006938891 441025765 /nfs/dbraw/zinc/02/57/65/441025765.db2.gz UWXYOSWPMILDDH-MRXNPFEDSA-N 1 0 341.448 1.676 50 0 EDAARO C[NH+]1CCN(c2cc(CNC(=O)Nc3ccccn3)ccn2)CC1 ZINC000045845902 441047057 /nfs/dbraw/zinc/04/70/57/441047057.db2.gz VCUAPXLDBGZXCH-UHFFFAOYSA-N 1 0 326.404 1.550 50 0 EDAARO COc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1S(=O)(=O)N(C)C ZINC000009337800 441104632 /nfs/dbraw/zinc/10/46/32/441104632.db2.gz CQXQSKXTFCYMQF-UHFFFAOYSA-N 1 0 343.449 1.272 50 0 EDAARO C[NH+](C)CCNC(=O)c1cccc(NC(=O)C2=CSCCO2)c1 ZINC000009738497 441107108 /nfs/dbraw/zinc/10/71/08/441107108.db2.gz HGBGMFHOLGBIHH-UHFFFAOYSA-N 1 0 335.429 1.521 50 0 EDAARO C[NH+]1CCN(CCNC(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000046179942 441089560 /nfs/dbraw/zinc/08/95/60/441089560.db2.gz CWEOLEWOKFRIBJ-UHFFFAOYSA-N 1 0 331.460 1.985 50 0 EDAARO COc1ccccc1/C=C/CN1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000012712337 441139521 /nfs/dbraw/zinc/13/95/21/441139521.db2.gz LJICQOHLNQIECT-PQQCZJPDSA-N 1 0 346.471 1.600 50 0 EDAARO O=C(C1CC=CC1)N1CC[N@@H+](C2Cc3ccccc3C2)C[C@@H](O)C1 ZINC000097463550 441139645 /nfs/dbraw/zinc/13/96/45/441139645.db2.gz CTIGRFWRHWYZNO-LJQANCHMSA-N 1 0 326.440 1.625 50 0 EDAARO O[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000097657384 441142803 /nfs/dbraw/zinc/14/28/03/441142803.db2.gz YJFRQVDTSRGSAD-ROUUACIJSA-N 1 0 330.407 1.652 50 0 EDAARO O=C([C@@H]1CCC(=O)NC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000097499714 441140748 /nfs/dbraw/zinc/14/07/48/441140748.db2.gz YABUFEUTYRBHMB-GOSISDBHSA-N 1 0 343.471 1.680 50 0 EDAARO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000097711805 441143696 /nfs/dbraw/zinc/14/36/96/441143696.db2.gz NPPZWITWUAEJEF-KRWDZBQOSA-N 1 0 325.412 1.942 50 0 EDAARO Cc1cc(C)c(C(=O)N2CCC([NH+]3CCSCC3)CC2)c(=O)[nH]1 ZINC000097785185 441144935 /nfs/dbraw/zinc/14/49/35/441144935.db2.gz GZJWAPHJYHVWKW-UHFFFAOYSA-N 1 0 335.473 1.645 50 0 EDAARO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000097942820 441147163 /nfs/dbraw/zinc/14/71/63/441147163.db2.gz XQHUYYXOWGSJRK-OAHLLOKOSA-N 1 0 338.473 1.666 50 0 EDAARO COc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1C ZINC000058393987 441190047 /nfs/dbraw/zinc/19/00/47/441190047.db2.gz AWLPUFFJYOVOSC-INIZCTEOSA-N 1 0 345.443 1.558 50 0 EDAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000058282655 441171844 /nfs/dbraw/zinc/17/18/44/441171844.db2.gz MMMNGLMLYUQDRD-SFHVURJKSA-N 1 0 343.471 1.950 50 0 EDAARO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000071871795 441178136 /nfs/dbraw/zinc/17/81/36/441178136.db2.gz OVZQNQSERUMCRP-CYBMUJFWSA-N 1 0 345.451 1.295 50 0 EDAARO CCn1cc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000058140899 441152650 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Cc1cc2n(n1)C[C@@H](C[NH2+]C1CCN(c3ncccn3)CC1)CN2 ZINC000058432792 441194943 /nfs/dbraw/zinc/19/49/43/441194943.db2.gz HJGUYJSJFYMMET-AWEZNQCLSA-N 1 0 327.436 1.282 50 0 EDAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1(c2ccccc2F)CC1 ZINC000071914624 441195645 /nfs/dbraw/zinc/19/56/45/441195645.db2.gz QKWDSYOQVKMIDL-HNNXBMFYSA-N 1 0 348.466 1.792 50 0 EDAARO CC(C)C[N@@H+]1CCN(Cc2cnc(N(C)C)s2)C[C@H]1CCO ZINC000104487362 441196660 /nfs/dbraw/zinc/19/66/60/441196660.db2.gz QNVDUOTVTNCGFV-CQSZACIVSA-N 1 0 326.510 1.734 50 0 EDAARO CC[NH+]1CCN(c2ncc(C(=O)NCc3ccccc3)c(C)n2)CC1 ZINC000015778098 441210184 /nfs/dbraw/zinc/21/01/84/441210184.db2.gz BCDJXOFPGUZHQT-UHFFFAOYSA-N 1 0 339.443 1.857 50 0 EDAARO CC[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000072267892 441211412 /nfs/dbraw/zinc/21/14/12/441211412.db2.gz CXVGDRVDGYMFOH-CVEARBPZSA-N 1 0 339.867 1.828 50 0 EDAARO O=c1ccnc2sc(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)nn21 ZINC000048235340 441276897 /nfs/dbraw/zinc/27/68/97/441276897.db2.gz 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330.432 1.155 50 0 EDAARO CNc1nccc(N2CCC(CC(=O)NCCC[NH+](C)C)CC2)n1 ZINC000065282077 441414673 /nfs/dbraw/zinc/41/46/73/441414673.db2.gz DREDCJZUASRURN-UHFFFAOYSA-N 1 0 334.468 1.193 50 0 EDAARO Cc1nc2c(c(N3CCN(c4ccccc4O)CC3)n1)CC[NH2+]CC2 ZINC000065383085 441421756 /nfs/dbraw/zinc/42/17/56/441421756.db2.gz RDQRMQGGNIOKQA-UHFFFAOYSA-N 1 0 339.443 1.505 50 0 EDAARO O=C(CC1=CC[NH2+]CC1)N1CCN(Cc2ccccc2CO)CC1 ZINC000065383457 441422192 /nfs/dbraw/zinc/42/21/92/441422192.db2.gz OVQYANCVGIELQJ-UHFFFAOYSA-N 1 0 329.444 1.133 50 0 EDAARO CCCN1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000065397247 441425450 /nfs/dbraw/zinc/42/54/50/441425450.db2.gz YRYVPKJMQJPQAL-QGZVFWFLSA-N 1 0 329.444 1.892 50 0 EDAARO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000065403950 441426167 /nfs/dbraw/zinc/42/61/67/441426167.db2.gz CYRXNAZVDCNFOR-QGZVFWFLSA-N 1 0 331.460 1.802 50 0 EDAARO Cn1nccc1C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000065403969 441426527 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COCC[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](c3ccccc3)C2)C1 ZINC000065625859 441473526 /nfs/dbraw/zinc/47/35/26/441473526.db2.gz RUZPIZXJZBMDFN-YOEHRIQHSA-N 1 0 331.416 1.589 50 0 EDAARO Cc1ccc(C(=O)N2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(=O)[nH]1 ZINC000075125631 441498927 /nfs/dbraw/zinc/49/89/27/441498927.db2.gz DZSPBEKVJPDFFH-ZIAGYGMSSA-N 1 0 333.432 1.397 50 0 EDAARO CN(CC[NH+]1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 ZINC000085788579 441451071 /nfs/dbraw/zinc/45/10/71/441451071.db2.gz GPYOJNRAGPVRNW-UHFFFAOYSA-N 1 0 325.478 1.479 50 0 EDAARO CC(=O)Nc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1C ZINC000065547784 441455935 /nfs/dbraw/zinc/45/59/35/441455935.db2.gz YYBJINOONBCOFH-UHFFFAOYSA-N 1 0 348.447 1.874 50 0 EDAARO Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000065604241 441467070 /nfs/dbraw/zinc/46/70/70/441467070.db2.gz LYTKEGACRCUQNM-MRXNPFEDSA-N 1 0 333.480 1.926 50 0 EDAARO C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)N1CCOC[C@@H]1C ZINC000110700132 441523002 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O=C(C[N@H+]1CCC[C@@H](CO)C1)NCCOc1cccc(Cl)c1 ZINC000089774671 441577211 /nfs/dbraw/zinc/57/72/11/441577211.db2.gz HZPCFNPXQKCVII-CYBMUJFWSA-N 1 0 326.824 1.539 50 0 EDAARO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000089857797 441586494 /nfs/dbraw/zinc/58/64/94/441586494.db2.gz HEPMKFPOSCGUOF-GDBMZVCRSA-N 1 0 333.432 1.656 50 0 EDAARO CC[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000076058538 441589450 /nfs/dbraw/zinc/58/94/50/441589450.db2.gz XATFPABZPLFHKT-GXTWGEPZSA-N 1 0 340.445 1.466 50 0 EDAARO COC(=O)c1cccc(CS(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000089895438 441591207 /nfs/dbraw/zinc/59/12/07/441591207.db2.gz RSKWMUPGLVXMME-LBPRGKRZSA-N 1 0 328.434 1.233 50 0 EDAARO O=C(c1cccc(CN2CC[NH+](CCO)CC2)c1)N1CCCCC1 ZINC000054807594 441599040 /nfs/dbraw/zinc/59/90/40/441599040.db2.gz FUWJIUZZWWHDCO-UHFFFAOYSA-N 1 0 331.460 1.423 50 0 EDAARO CC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1[NH+](C)C ZINC000089948463 441602286 /nfs/dbraw/zinc/60/22/86/441602286.db2.gz YKOYTCBDXDHFMQ-DGCLKSJQSA-N 1 0 345.365 1.666 50 0 EDAARO CC[NH+]1CCN([C@@H](C)CNc2ccc(-n3ccc(C)n3)nn2)CC1 ZINC000089977299 441608351 /nfs/dbraw/zinc/60/83/51/441608351.db2.gz ZFTASYOUBYWKOT-HNNXBMFYSA-N 1 0 329.452 1.409 50 0 EDAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000089984727 441609799 /nfs/dbraw/zinc/60/97/99/441609799.db2.gz HQJFQEFFVPXSCY-OAHLLOKOSA-N 1 0 335.452 1.599 50 0 EDAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000040267049 441620487 /nfs/dbraw/zinc/62/04/87/441620487.db2.gz LMMOOTNFFWMFTG-INIZCTEOSA-N 1 0 327.384 1.750 50 0 EDAARO C[NH+](C)CCNC(=O)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355169 441621904 /nfs/dbraw/zinc/62/19/04/441621904.db2.gz TZVXGKRAJYMPKX-UHFFFAOYSA-N 1 0 336.392 1.826 50 0 EDAARO Cc1cc(C)n([C@H](C)C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067676862 441665115 /nfs/dbraw/zinc/66/51/15/441665115.db2.gz GAZOFWXBWYNBOS-MRXNPFEDSA-N 1 0 333.480 1.299 50 0 EDAARO Cc1cccc(CN2CCN(C(=O)CC3=CC[NH2+]CC3)[C@@H](C)C2=O)c1 ZINC000055168328 441623323 /nfs/dbraw/zinc/62/33/23/441623323.db2.gz WYRWWYLOEHUWJA-INIZCTEOSA-N 1 0 341.455 1.864 50 0 EDAARO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc2c(c1)OCCO2 ZINC000040525189 441626007 /nfs/dbraw/zinc/62/60/07/441626007.db2.gz JMGPPGHUILKWIP-CQSZACIVSA-N 1 0 335.404 1.426 50 0 EDAARO CC1CC[NH+](CCNC(=O)c2ccc(Cn3ccccc3=O)o2)CC1 ZINC000040534655 441627033 /nfs/dbraw/zinc/62/70/33/441627033.db2.gz LLGSANBXPRUWJM-UHFFFAOYSA-N 1 0 343.427 1.951 50 0 EDAARO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccco3)cn2)CC1 ZINC000040539899 441627980 /nfs/dbraw/zinc/62/79/80/441627980.db2.gz CFMQQVSVBNTQNO-UHFFFAOYSA-N 1 0 343.431 1.816 50 0 EDAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000040597525 441629585 /nfs/dbraw/zinc/62/95/85/441629585.db2.gz QMIBGMVXYRVXFD-NSHDSACASA-N 1 0 332.853 1.969 50 0 EDAARO CC[NH+]1CCN(c2ncc3c(=O)n(Cc4cccs4)cc-3[nH]2)CC1 ZINC000041122997 441633073 /nfs/dbraw/zinc/63/30/73/441633073.db2.gz 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ZINC000067868407 441689906 /nfs/dbraw/zinc/68/99/06/441689906.db2.gz QPXJANCXWCBAKH-UHFFFAOYSA-N 1 0 342.447 1.439 50 0 EDAARO O=C1N(CCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1ccco1 ZINC000067872293 441691705 /nfs/dbraw/zinc/69/17/05/441691705.db2.gz FGVAQWYMGUFNQN-IBGZPJMESA-N 1 0 328.412 1.965 50 0 EDAARO CC1CC[NH+](CCCNC(=O)c2cccnc2N2CCOCC2)CC1 ZINC000041999463 441692669 /nfs/dbraw/zinc/69/26/69/441692669.db2.gz KBFKECQIHBXCNX-UHFFFAOYSA-N 1 0 346.475 1.770 50 0 EDAARO CCn1c(=O)n(Cc2ccc3c(c2)OCO3)nc1[C@@H]1CCC[NH2+]C1 ZINC000067895070 441694375 /nfs/dbraw/zinc/69/43/75/441694375.db2.gz RNYVJDFGKWITFX-CYBMUJFWSA-N 1 0 330.388 1.309 50 0 EDAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)Cc1ccc2[nH]c(C)nc2c1 ZINC000067975181 441702906 /nfs/dbraw/zinc/70/29/06/441702906.db2.gz OMSOZZRJUFSAFK-CJNGLKHVSA-N 1 0 344.415 1.118 50 0 EDAARO Cn1ccc(C[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1=O ZINC000042112679 441706708 /nfs/dbraw/zinc/70/67/08/441706708.db2.gz YULSFBSQWGAFMP-UHFFFAOYSA-N 1 0 339.439 1.638 50 0 EDAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000091493123 441707320 /nfs/dbraw/zinc/70/73/20/441707320.db2.gz FHSFPDIGMUOXET-INIZCTEOSA-N 1 0 347.850 1.277 50 0 EDAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(N)nc1)CC2 ZINC000091504177 441707670 /nfs/dbraw/zinc/70/76/70/441707670.db2.gz ZQNUUCCESXZTME-UHFFFAOYSA-N 1 0 340.431 1.396 50 0 EDAARO CN(C)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1F ZINC000091526330 441709386 /nfs/dbraw/zinc/70/93/86/441709386.db2.gz PKESUXVGTIUIHE-QGZVFWFLSA-N 1 0 336.455 1.182 50 0 EDAARO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000042186727 441715342 /nfs/dbraw/zinc/71/53/42/441715342.db2.gz AYONTOIGCVKVRW-MRXNPFEDSA-N 1 0 332.425 1.937 50 0 EDAARO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000067714580 441670968 /nfs/dbraw/zinc/67/09/68/441670968.db2.gz PTVZBOXJWWRLIE-HNNXBMFYSA-N 1 0 343.431 1.929 50 0 EDAARO CC[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)nc2)CC[N@@H+]1C(C)C ZINC000067740148 441675680 /nfs/dbraw/zinc/67/56/80/441675680.db2.gz YRRSBZRMWCXLBQ-QGZVFWFLSA-N 1 0 346.475 1.863 50 0 EDAARO CN(CCSc1ccccc1)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091757175 441736596 /nfs/dbraw/zinc/73/65/96/441736596.db2.gz JSDHIIXKABUGEO-CQSZACIVSA-N 1 0 335.473 1.434 50 0 EDAARO COc1cc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000091907182 441752540 /nfs/dbraw/zinc/75/25/40/441752540.db2.gz MEGNOVBWCIFJAZ-CABCVRRESA-N 1 0 333.432 1.257 50 0 EDAARO Cc1ccc([C@H]2CN(CCCS(=O)(=O)N(C)C)C[C@@H]2[NH+](C)C)o1 ZINC000091914919 441753116 /nfs/dbraw/zinc/75/31/16/441753116.db2.gz YASKSJRRPIXGDD-GJZGRUSLSA-N 1 0 343.493 1.199 50 0 EDAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1ccnc(N)n1)CC2 ZINC000091908467 441753750 /nfs/dbraw/zinc/75/37/50/441753750.db2.gz BOOKIWJFYMSWMK-UHFFFAOYSA-N 1 0 341.463 1.936 50 0 EDAARO C[NH+](C)CCN1C[C@H](C(=O)NCCc2ccc(Cl)cc2)CC1=O ZINC000091986740 441759431 /nfs/dbraw/zinc/75/94/31/441759431.db2.gz UPJHIQPISNNDIA-CQSZACIVSA-N 1 0 337.851 1.409 50 0 EDAARO Cc1ccc([C@H]2CN(C(=O)Cc3cn4ccsc4n3)C[C@@H]2[NH3+])o1 ZINC000092037084 441763561 /nfs/dbraw/zinc/76/35/61/441763561.db2.gz HHNDSCKNYXEBNZ-STQMWFEESA-N 1 0 330.413 1.793 50 0 EDAARO COc1ccc([C@H]2CN(C(=O)CCc3ccnn3C)C[C@@H]2[NH3+])cc1 ZINC000092036883 441763927 /nfs/dbraw/zinc/76/39/27/441763927.db2.gz SKJYLWLBXXEKEP-SJORKVTESA-N 1 0 328.416 1.315 50 0 EDAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCOc1ccccc1)CC2 ZINC000092036757 441763970 /nfs/dbraw/zinc/76/39/70/441763970.db2.gz LTKBEZIRJLGWQB-SJORKVTESA-N 1 0 348.443 1.173 50 0 EDAARO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CC[C@]2(C1)CCCNC2=O ZINC000092066138 441767598 /nfs/dbraw/zinc/76/75/98/441767598.db2.gz RNDLDAZJFKJKRQ-SFHVURJKSA-N 1 0 333.432 1.778 50 0 EDAARO OC[C@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1CN1CCOCC1 ZINC000091656799 441726004 /nfs/dbraw/zinc/72/60/04/441726004.db2.gz VKFVCKSNVNYPBO-CHWSQXEVSA-N 1 0 330.881 1.774 50 0 EDAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2cc(F)ccc2C)C[C@@H]1CO ZINC000091663429 441726616 /nfs/dbraw/zinc/72/66/16/441726616.db2.gz GRHBNAGQXJQARR-HUUCEWRRSA-N 1 0 338.423 1.129 50 0 EDAARO C[NH2+]CC(=O)N1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000091676977 441728737 /nfs/dbraw/zinc/72/87/37/441728737.db2.gz LJSAULOLSKNMGT-VMPITWQZSA-N 1 0 341.455 1.760 50 0 EDAARO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000159133438 441790385 /nfs/dbraw/zinc/79/03/85/441790385.db2.gz XCXPKVBHEBXLMT-KRWDZBQOSA-N 1 0 345.491 1.641 50 0 EDAARO Nc1nnc(CCNC(=O)C[NH+]2CCC(c3ccccc3)CC2)s1 ZINC000095370140 441914246 /nfs/dbraw/zinc/91/42/46/441914246.db2.gz HERXBQLTWRIOPP-UHFFFAOYSA-N 1 0 345.472 1.659 50 0 EDAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1nc(-c2ncccn2)no1 ZINC000095370939 441914305 /nfs/dbraw/zinc/91/43/05/441914305.db2.gz UPACIMNVGPHZGM-LBPRGKRZSA-N 1 0 330.392 1.407 50 0 EDAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC000095372356 441915215 /nfs/dbraw/zinc/91/52/15/441915215.db2.gz YGAGUZDTUSNTFC-CQSZACIVSA-N 1 0 328.420 1.747 50 0 EDAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](C[C@@H](O)CO)CC2 ZINC000095378105 441915727 /nfs/dbraw/zinc/91/57/27/441915727.db2.gz UTPCFMYTSORPOP-GOSISDBHSA-N 1 0 346.471 1.287 50 0 EDAARO CSc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000095386116 441916277 /nfs/dbraw/zinc/91/62/77/441916277.db2.gz JGHWCIIKPGOLOF-CQSZACIVSA-N 1 0 335.473 1.435 50 0 EDAARO COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1nc(N)[nH+]c3c1CCCC3)C2 ZINC000095385872 441917355 /nfs/dbraw/zinc/91/73/55/441917355.db2.gz GHYRJJMVUVCFSD-QWHCGFSZSA-N 1 0 345.447 1.011 50 0 EDAARO C[C@@H](C(=O)N1CCOCC1)[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000069324780 441918605 /nfs/dbraw/zinc/91/86/05/441918605.db2.gz HAKZVYYWMGUSKV-HOTGVXAUSA-N 1 0 342.443 1.921 50 0 EDAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cc(F)cc(F)c1 ZINC000095389631 441918963 /nfs/dbraw/zinc/91/89/63/441918963.db2.gz LZSWJDGMCDFUHX-GFCCVEGCSA-N 1 0 326.391 1.400 50 0 EDAARO Cn1ncnc1CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000095436970 441927035 /nfs/dbraw/zinc/92/70/35/441927035.db2.gz BTCUGBZIKGIRGI-UHFFFAOYSA-N 1 0 330.436 1.525 50 0 EDAARO C[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1 ZINC000095414319 441924638 /nfs/dbraw/zinc/92/46/38/441924638.db2.gz DLABCRNZUWLPOR-MOPGFXCFSA-N 1 0 343.471 1.440 50 0 EDAARO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000093458901 441886592 /nfs/dbraw/zinc/88/65/92/441886592.db2.gz LDHQEMJKFOYSQK-INIZCTEOSA-N 1 0 345.468 1.683 50 0 EDAARO O=C(NCCN1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1)C1CCC1 ZINC000095987271 441972299 /nfs/dbraw/zinc/97/22/99/441972299.db2.gz PIGHKBIGFBCBJU-OALUTQOASA-N 1 0 343.471 1.179 50 0 EDAARO CCCCC[NH+]1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000095999657 441975979 /nfs/dbraw/zinc/97/59/79/441975979.db2.gz DFGFGZXDJCYATA-GOSISDBHSA-N 1 0 337.508 1.964 50 0 EDAARO CC[C@H](O)C[NH+]1CCC(NC(=O)c2noc(-c3cccnc3)n2)CC1 ZINC000095443116 441928088 /nfs/dbraw/zinc/92/80/88/441928088.db2.gz ZOUNIXKAHUVKDG-AWEZNQCLSA-N 1 0 345.403 1.097 50 0 EDAARO Cc1ccc(-c2noc(-c3cn(CC[C@@H]4CCCC[NH2+]4)nn3)n2)nn1 ZINC000095521012 441947252 /nfs/dbraw/zinc/94/72/52/441947252.db2.gz MSSSMPFKBVYOLP-LBPRGKRZSA-N 1 0 340.391 1.626 50 0 EDAARO CCOC(=O)[C@](C)(O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000095943814 441956084 /nfs/dbraw/zinc/95/60/84/441956084.db2.gz FROXHOXLECGATJ-GOSISDBHSA-N 1 0 326.481 1.889 50 0 EDAARO C[NH+]1CCN(Cc2cccc(C(=O)N3CCc4n[nH]cc4C3)c2)CC1 ZINC000078965316 442000489 /nfs/dbraw/zinc/00/04/89/442000489.db2.gz CWEACAQTYJFYSR-UHFFFAOYSA-N 1 0 339.443 1.356 50 0 EDAARO CCn1c2ccccc2n(CC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1=O ZINC000078895683 441988573 /nfs/dbraw/zinc/98/85/73/441988573.db2.gz FOVYDPJZMUJNIZ-BBRMVZONSA-N 1 0 330.432 1.231 50 0 EDAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000069661118 442005126 /nfs/dbraw/zinc/00/51/26/442005126.db2.gz OYHPYZXJGVMESU-INIZCTEOSA-N 1 0 341.459 1.782 50 0 EDAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(OCC(N)=O)c1 ZINC000069664968 442006098 /nfs/dbraw/zinc/00/60/98/442006098.db2.gz AAAKSQRAPGBLJL-IRXDYDNUSA-N 1 0 345.443 1.640 50 0 EDAARO O=S(=O)(c1cccc(F)c1)N1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC000096099762 442026622 /nfs/dbraw/zinc/02/66/22/442026622.db2.gz GFMQXFKSNZPWRD-OAHLLOKOSA-N 1 0 342.436 1.436 50 0 EDAARO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCOc3ccccc3C2)CC1 ZINC000096139383 442043747 /nfs/dbraw/zinc/04/37/47/442043747.db2.gz WPIVJQQLCJATPT-QGZVFWFLSA-N 1 0 331.460 1.382 50 0 EDAARO C[NH+]1CCC(Cc2nc([C@H]3COCCO3)n(CC(F)(F)F)n2)CC1 ZINC000096150930 442046381 /nfs/dbraw/zinc/04/63/81/442046381.db2.gz GNHNCZVOSIEGCK-GFCCVEGCSA-N 1 0 348.369 1.813 50 0 EDAARO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCCc2cc(F)ccc21 ZINC000151419029 442058990 /nfs/dbraw/zinc/05/89/90/442058990.db2.gz ZLEKUICHXCGTMJ-UHFFFAOYSA-N 1 0 329.379 1.935 50 0 EDAARO Cc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096440107 442131107 /nfs/dbraw/zinc/13/11/07/442131107.db2.gz IRRKYXKDCHQBRL-JKSUJKDBSA-N 1 0 334.464 1.307 50 0 EDAARO O=C(CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)NCc1ccc(F)cc1 ZINC000096443287 442132822 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CCCc1noc(CN(C)C(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000426470771 447449822 /nfs/dbraw/zinc/44/98/22/447449822.db2.gz CLSCPFZVWIORHJ-CYBMUJFWSA-N 1 0 346.435 1.344 50 0 EDAARO COc1ccc(C(=O)NC[C@@H](O)c2ccccc2)c(OCC[NH3+])c1 ZINC000426621528 447481613 /nfs/dbraw/zinc/48/16/13/447481613.db2.gz AZAKJHLBJWNNIN-MRXNPFEDSA-N 1 0 330.384 1.496 50 0 EDAARO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCCOC1 ZINC000408522343 447672403 /nfs/dbraw/zinc/67/24/03/447672403.db2.gz HUWMDWCZLIDGOP-CMPLNLGQSA-N 1 0 332.853 1.892 50 0 EDAARO C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2COC[C@H]2O)CCN1C(=O)OC(C)(C)C ZINC000496300748 447754315 /nfs/dbraw/zinc/75/43/15/447754315.db2.gz DKAUGGGFVDDLJX-KBUPBQIOSA-N 1 0 328.453 1.714 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000524733551 447945920 /nfs/dbraw/zinc/94/59/20/447945920.db2.gz VTYHTPHBLMKHTI-OAHLLOKOSA-N 1 0 334.468 1.614 50 0 EDAARO [NH3+]C1CCN(Cc2nnn3c2CO[C@H](c2ccccc2F)C3)CC1 ZINC000583648185 448455377 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O[C@]1(CN(CCc2ccccc2)Cc2ccccn2)C[NH2+]CCOC1 ZINC000077357719 203383807 /nfs/dbraw/zinc/38/38/07/203383807.db2.gz LNOKJIJEZMKYFQ-FQEVSTJZSA-N 1 0 341.455 1.477 50 0 EDAARO Cc1ccc(C[NH+]2CCC(c3nnc(CN(C)CCO)n3C)CC2)o1 ZINC000077379639 203385310 /nfs/dbraw/zinc/38/53/10/203385310.db2.gz MJCCHACDDVTPPA-UHFFFAOYSA-N 1 0 347.463 1.520 50 0 EDAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCCn1cncn1 ZINC000077406670 203386441 /nfs/dbraw/zinc/38/64/41/203386441.db2.gz OBUQNTRLWVNRGJ-KRWDZBQOSA-N 1 0 327.432 1.573 50 0 EDAARO Cn1c(CN2CCC(O)CC2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000077439034 203388656 /nfs/dbraw/zinc/38/86/56/203388656.db2.gz PHPPJKUNNDSUOK-UHFFFAOYSA-N 1 0 347.507 1.894 50 0 EDAARO C[N@@H+]1CC[C@H]2CN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C[C@H]21 ZINC000077534917 203393717 /nfs/dbraw/zinc/39/37/17/203393717.db2.gz NEBOYGYXVDCTET-DOTOQJQBSA-N 1 0 342.443 1.096 50 0 EDAARO O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000089819156 203593634 /nfs/dbraw/zinc/59/36/34/203593634.db2.gz 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205355938 /nfs/dbraw/zinc/35/59/38/205355938.db2.gz MGOQDTVDZQKAAB-WMLDXEAASA-N 1 0 340.427 1.874 50 0 EDAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000150925003 205596048 /nfs/dbraw/zinc/59/60/48/205596048.db2.gz NJLLWXFDACPBOX-CQSZACIVSA-N 1 0 337.851 1.998 50 0 EDAARO c1ccc(-c2noc(CC[NH+]3CCN(c4cccnn4)CC3)n2)cc1 ZINC000157763236 206154680 /nfs/dbraw/zinc/15/46/80/206154680.db2.gz HYRZYNHZMGZGIH-UHFFFAOYSA-N 1 0 336.399 1.891 50 0 EDAARO COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000032916567 284553296 /nfs/dbraw/zinc/55/32/96/284553296.db2.gz CPWRSZWWHGQDMN-ZDUSSCGKSA-N 1 0 340.445 1.544 50 0 EDAARO Cc1cc(=O)n(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1C ZINC000095371158 291656990 /nfs/dbraw/zinc/65/69/90/291656990.db2.gz BHANASURTGVNJL-QGZVFWFLSA-N 1 0 346.475 1.727 50 0 EDAARO CN(CC(=O)N1CC[C@H]([NH+](C)C)[C@H](CCCO)C1)Cc1ccncc1 ZINC000091426684 218004496 /nfs/dbraw/zinc/00/44/96/218004496.db2.gz BEGOLUACYMSXLD-MSOLQXFVSA-N 1 0 348.491 1.065 50 0 EDAARO CN(CCN(C)C1CC1)C(=O)[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000408518098 250300424 /nfs/dbraw/zinc/30/04/24/250300424.db2.gz UHSFIOZHKASCCH-MRXNPFEDSA-N 1 0 338.473 1.367 50 0 EDAARO C[NH+]1CCC(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)CC1 ZINC000095414318 218352084 /nfs/dbraw/zinc/35/20/84/218352084.db2.gz DLABCRNZUWLPOR-RBUKOAKNSA-N 1 0 343.471 1.440 50 0 EDAARO CCS(=O)(=O)NCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000095415422 218353408 /nfs/dbraw/zinc/35/34/08/218353408.db2.gz FZGVMNVPRDXOAG-UHFFFAOYSA-N 1 0 327.837 1.917 50 0 EDAARO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000095423622 218365887 /nfs/dbraw/zinc/36/58/87/218365887.db2.gz OFHVRCLNGQVSFD-LRDDRELGSA-N 1 0 335.429 1.617 50 0 EDAARO [NH3+][C@H](C(=O)N1CCc2c(cnn2-c2ccccc2)C1)C1CCOCC1 ZINC000261770137 139224511 /nfs/dbraw/zinc/22/45/11/139224511.db2.gz MGHKHQHCQAOPHL-SFHVURJKSA-N 1 0 340.427 1.511 50 0 EDAARO [NH3+]CC1(C(=O)NCc2ccccc2OC(F)(F)F)CCOCC1 ZINC000261918013 139236917 /nfs/dbraw/zinc/23/69/17/139236917.db2.gz RDHISJYMPRFQNA-UHFFFAOYSA-N 1 0 332.322 1.957 50 0 EDAARO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262781817 139303232 /nfs/dbraw/zinc/30/32/32/139303232.db2.gz PCKSFAKDBGOZPH-RISCZKNCSA-N 1 0 328.482 1.575 50 0 EDAARO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cnn(C)c3)CC2)c1 ZINC000096427138 218797872 /nfs/dbraw/zinc/79/78/72/218797872.db2.gz SZEUJEFRTKZWPD-UHFFFAOYSA-N 1 0 327.432 1.879 50 0 EDAARO C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000096435364 218813815 /nfs/dbraw/zinc/81/38/15/218813815.db2.gz SDDCEYDFJQQSNO-UHFFFAOYSA-N 1 0 342.447 1.799 50 0 EDAARO C[C@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)C(C)(C)C ZINC000097228417 218999470 /nfs/dbraw/zinc/99/94/70/218999470.db2.gz ISWTYZCZCKDVSV-SNVBAGLBSA-N 1 0 331.258 1.786 50 0 EDAARO Cc1ccc(C(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c(F)c1 ZINC000299786948 258093385 /nfs/dbraw/zinc/09/33/85/258093385.db2.gz OHOOWZBYAGREKF-SFHVURJKSA-N 1 0 331.435 1.986 50 0 EDAARO Cc1cc(C)cc(OCCNC(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000056820538 258061557 /nfs/dbraw/zinc/06/15/57/258061557.db2.gz KTHVTDKMZPORAB-UHFFFAOYSA-N 1 0 348.491 1.619 50 0 EDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1c(C)nc2ccc(Cl)cn21 ZINC000299764736 258080333 /nfs/dbraw/zinc/08/03/33/258080333.db2.gz DGAGOPIUFLTENO-STQMWFEESA-N 1 0 336.823 1.745 50 0 EDAARO C[C@@H](C(=O)N1CCN(C2CC[NH+](C)CC2)CC1)n1cc(Cl)cn1 ZINC000299765040 258080465 /nfs/dbraw/zinc/08/04/65/258080465.db2.gz ZMBVAEMQRCDCSX-ZDUSSCGKSA-N 1 0 339.871 1.336 50 0 EDAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(N3CCOCC3)nc1)CN2 ZINC000058298891 135611712 /nfs/dbraw/zinc/61/17/12/135611712.db2.gz SKVPSPMTJYKRJS-MRXNPFEDSA-N 1 0 342.447 1.255 50 0 EDAARO CC1(C)C(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1(C)C ZINC000333371174 141307284 /nfs/dbraw/zinc/30/72/84/141307284.db2.gz VAENFMGNDZSBJD-UHFFFAOYSA-N 1 0 332.452 1.690 50 0 EDAARO CCO[C@H]1C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C12CCCC2 ZINC000095988133 286493925 /nfs/dbraw/zinc/49/39/25/286493925.db2.gz VIFWUQFTWQOPFD-KFWWJZLASA-N 1 0 330.494 1.738 50 0 EDAARO C[C@@H]([NH3+])c1ccc2c(c1)N(CC(=O)NC1CCCC1)C(=O)[C@H](C)O2 ZINC000019768833 286928175 /nfs/dbraw/zinc/92/81/75/286928175.db2.gz NZHWDPPRXJKLNA-NEPJUHHUSA-N 1 0 331.416 1.879 50 0 EDAARO CC(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N4CCC[C@@H]4C(=O)N3C2)cc1 ZINC000014533466 273563243 /nfs/dbraw/zinc/56/32/43/273563243.db2.gz MDGMTIBSHZMTOZ-KSZLIROESA-N 1 0 341.455 1.874 50 0 EDAARO C[NH+](C)CCN1C[C@H](C(=O)NC2(c3ccccc3F)CC2)CC1=O ZINC000073821399 273796099 /nfs/dbraw/zinc/79/60/99/273796099.db2.gz XNYNBCGZFQIECI-CYBMUJFWSA-N 1 0 333.407 1.341 50 0 EDAARO CN(C)c1nc2c(c(N3C[C@H](CO)[C@H](C[NH+](C)C)C3)n1)CCCC2 ZINC000092081970 276799536 /nfs/dbraw/zinc/79/95/36/276799536.db2.gz HSLOCWVDTFFQHC-ZIAGYGMSSA-N 1 0 333.480 1.028 50 0 EDAARO CO[C@H]1CN(C(=O)c2cc(C)nc3c2cnn3C(C)C)CC[C@H]1[NH3+] ZINC000071755022 277343587 /nfs/dbraw/zinc/34/35/87/277343587.db2.gz CBRZWYWVCVRCER-CABCVRRESA-N 1 0 331.420 1.509 50 0 EDAARO COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCCC2)cn1 ZINC000065452461 277913417 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CC[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@@H]1[NH+](C)C ZINC000089948410 441602794 /nfs/dbraw/zinc/60/27/94/441602794.db2.gz BQYHXCLXELDMAW-YOEHRIQHSA-N 1 0 342.443 1.585 50 0 EDAARO COC(=O)c1ccc(NC(=O)N2CCO[C@@H](CC[NH+](C)C)C2)cc1 ZINC000039543488 441618274 /nfs/dbraw/zinc/61/82/74/441618274.db2.gz UOZXQHUKUWMXNK-HNNXBMFYSA-N 1 0 335.404 1.658 50 0 EDAARO C[NH+](C)C1(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CCCC1 ZINC000040090068 441620638 /nfs/dbraw/zinc/62/06/38/441620638.db2.gz JAZOTEUWCXKCSZ-UHFFFAOYSA-N 1 0 340.445 1.611 50 0 EDAARO O=C(Cn1ccccc1=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000040460879 441621370 /nfs/dbraw/zinc/62/13/70/441621370.db2.gz WPYXWPKXKRMAIC-HNNXBMFYSA-N 1 0 329.400 1.785 50 0 EDAARO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cnn(C)c2)c(C)s1 ZINC000090580200 441635487 /nfs/dbraw/zinc/63/54/87/441635487.db2.gz LLDRZWNDJIWBKQ-NSHDSACASA-N 1 0 342.490 1.728 50 0 EDAARO C[C@H](C(=O)NC(N)=O)[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401380 441636342 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C[NH+](C)Cc1ccc(-c2noc(-c3nc4n(n3)CCCN4)n2)cc1 ZINC000630033300 450964380 /nfs/dbraw/zinc/96/43/80/450964380.db2.gz UONJGLBENHBTMJ-UHFFFAOYSA-N 1 0 325.376 1.125 50 0 EDAARO Cc1cnc(CCN(C)C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)s1 ZINC000662507590 453224521 /nfs/dbraw/zinc/22/45/21/453224521.db2.gz VBDRHZUYDLHCRQ-GFCCVEGCSA-N 1 0 334.449 1.201 50 0 EDAARO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CSCN1 ZINC000170049145 486168954 /nfs/dbraw/zinc/16/89/54/486168954.db2.gz QWRMMUSFPDUFIY-CQSZACIVSA-N 1 0 327.494 1.048 50 0 EDAARO CC(C)[NH+]1CCC(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)CC1 ZINC000219108671 535150128 /nfs/dbraw/zinc/15/01/28/535150128.db2.gz DNGRWKNAWFEADR-PREGVCBESA-N 1 0 334.464 1.469 50 0 EDAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(OC)c(OC)cc2F)C1 ZINC000194736611 536364036 /nfs/dbraw/zinc/36/40/36/536364036.db2.gz CWSNVERQGFEQDQ-SNVBAGLBSA-N 1 0 332.397 1.215 50 0 EDAARO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC3(c4nc[nH]n4)CCC3)cc21 ZINC000888096266 591026871 /nfs/dbraw/zinc/02/68/71/591026871.db2.gz 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441323990 /nfs/dbraw/zinc/32/39/90/441323990.db2.gz KAIMLYFWJTYOPV-UHFFFAOYSA-N 1 0 333.388 1.948 50 0 EDAARO COCCOc1cccc(C[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000048713092 441326350 /nfs/dbraw/zinc/32/63/50/441326350.db2.gz QLXJHDFYBQBLSQ-UHFFFAOYSA-N 1 0 339.399 1.977 50 0 EDAARO CCOc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000106166545 441328367 /nfs/dbraw/zinc/32/83/67/441328367.db2.gz XELZWHRGONPAAL-GJZGRUSLSA-N 1 0 334.416 1.687 50 0 EDAARO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000048783354 441332492 /nfs/dbraw/zinc/33/24/92/441332492.db2.gz MDPVYGOXVZSKMJ-VXGBXAGGSA-N 1 0 348.415 1.493 50 0 EDAARO Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc(N(C)C)[nH+]1 ZINC000082230324 441339024 /nfs/dbraw/zinc/33/90/24/441339024.db2.gz FUZPULUUQHKOPX-UHFFFAOYSA-N 1 0 343.406 1.953 50 0 EDAARO C[C@](O)(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccco1 ZINC000081835201 441319201 /nfs/dbraw/zinc/31/92/01/441319201.db2.gz MGFTVQCMPXFMAP-KRWDZBQOSA-N 1 0 336.432 1.638 50 0 EDAARO COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000064488767 441381765 /nfs/dbraw/zinc/38/17/65/441381765.db2.gz GRWQKQCAVUOFCO-DJIMGWMZSA-N 1 0 330.428 1.989 50 0 EDAARO CCOCCN1CCN([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1C ZINC000106776944 441368896 /nfs/dbraw/zinc/36/88/96/441368896.db2.gz MKMWJURBBVHTDK-DLBZAZTESA-N 1 0 325.497 1.820 50 0 EDAARO O=C(NCCc1nccs1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000051337798 441407276 /nfs/dbraw/zinc/40/72/76/441407276.db2.gz NMHVMLHUQMWDFP-UHFFFAOYSA-N 1 0 338.477 1.439 50 0 EDAARO CC(C)N1C(=O)N[C@]2(CC[N@H+](C[C@@H](O)c3cccc(F)c3)C2)C1=O ZINC000107322963 441409352 /nfs/dbraw/zinc/40/93/52/441409352.db2.gz UBUZGGYYYKDRJT-PBHICJAKSA-N 1 0 335.379 1.264 50 0 EDAARO CCc1noc([C@H](C)N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1 ZINC000107354924 441411254 /nfs/dbraw/zinc/41/12/54/441411254.db2.gz ANNRLFJMHUXLJJ-YCPHGPKFSA-N 1 0 349.479 1.568 50 0 EDAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000065362380 441418108 /nfs/dbraw/zinc/41/81/08/441418108.db2.gz FHJFUISMBLDNSF-HNNXBMFYSA-N 1 0 345.509 1.040 50 0 EDAARO COc1ccc(F)cc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000065364809 441419328 /nfs/dbraw/zinc/41/93/28/441419328.db2.gz JLQKUGWPXGPOSE-UHFFFAOYSA-N 1 0 330.425 1.845 50 0 EDAARO Cc1nn(CC[NH+]2CCSCC2)cc1CN1CC(n2cccn2)C1 ZINC000065387375 441423499 /nfs/dbraw/zinc/42/34/99/441423499.db2.gz CWYFPQAZRRKXML-UHFFFAOYSA-N 1 0 346.504 1.494 50 0 EDAARO COC[C@H](c1ccnn1C)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065396944 441423811 /nfs/dbraw/zinc/42/38/11/441423811.db2.gz DCVRARHNEGAZIK-GFCCVEGCSA-N 1 0 345.428 1.073 50 0 EDAARO CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000065405171 441427766 /nfs/dbraw/zinc/42/77/66/441427766.db2.gz OXNKUYVOXAIDBD-GFCCVEGCSA-N 1 0 326.418 1.191 50 0 EDAARO Cc1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000065412680 441429277 /nfs/dbraw/zinc/42/92/77/441429277.db2.gz ZTAHAHDMMUMWLY-UHFFFAOYSA-N 1 0 341.459 1.276 50 0 EDAARO O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(-n2ccnc2)cc1 ZINC000108142891 441437354 /nfs/dbraw/zinc/43/73/54/441437354.db2.gz MVZOBRDLJFTRLI-ZWKOTPCHSA-N 1 0 340.427 1.855 50 0 EDAARO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N(C)C1CCCCC1 ZINC000065610717 441469855 /nfs/dbraw/zinc/46/98/55/441469855.db2.gz AHXQSPBPIAMGOP-HNNXBMFYSA-N 1 0 333.498 1.196 50 0 EDAARO COc1ccc([C@@H](O)C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1F ZINC000052827883 441477749 /nfs/dbraw/zinc/47/77/49/441477749.db2.gz JHJXFTWDGAGLBC-INIZCTEOSA-N 1 0 336.407 1.858 50 0 EDAARO c1cc2nccc(NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c2cn1 ZINC000075094571 441493869 /nfs/dbraw/zinc/49/38/69/441493869.db2.gz BMLMIRFAICDZHY-RDTXWAMCSA-N 1 0 328.416 1.779 50 0 EDAARO CNC(=O)c1cccnc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000089392121 441545141 /nfs/dbraw/zinc/54/51/41/441545141.db2.gz DPGNBKJBEBQEMJ-INIZCTEOSA-N 1 0 340.427 1.272 50 0 EDAARO CN(C)c1ccccc1C[NH+]1CCN(CCNC(=O)C2CCC2)CC1 ZINC000075751778 441554349 /nfs/dbraw/zinc/55/43/49/441554349.db2.gz BKYCXBNFLPTLOS-UHFFFAOYSA-N 1 0 344.503 1.787 50 0 EDAARO Cc1noc(CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)n1 ZINC000089518565 441557374 /nfs/dbraw/zinc/55/73/74/441557374.db2.gz NYIWHJNFWAEDRZ-SECBINFHSA-N 1 0 327.381 1.814 50 0 EDAARO C[NH+](C)[C@@H](CNC(=O)N1CCC2(C1)OCCO2)c1cccs1 ZINC000076019239 441578486 /nfs/dbraw/zinc/57/84/86/441578486.db2.gz GYBUYWBLMMHCPL-LBPRGKRZSA-N 1 0 325.434 1.509 50 0 EDAARO CCN(C1CC[NH+](C[C@@H](O)c2ccccc2)CC1)S(C)(=O)=O ZINC000066882561 441578992 /nfs/dbraw/zinc/57/89/92/441578992.db2.gz SHKQWKKKSPSKTA-MRXNPFEDSA-N 1 0 326.462 1.466 50 0 EDAARO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1nc(C2CC2)no1 ZINC000076057073 441589388 /nfs/dbraw/zinc/58/93/88/441589388.db2.gz JWDZSSFVJPPXNM-NHCYSSNCSA-N 1 0 328.438 1.268 50 0 EDAARO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000076058731 441589640 /nfs/dbraw/zinc/58/96/40/441589640.db2.gz KFBIQTUEYXGOFU-RDTXWAMCSA-N 1 0 331.416 1.814 50 0 EDAARO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2nncn2C)[NH+](C)C)c1 ZINC000089913950 441594497 /nfs/dbraw/zinc/59/44/97/441594497.db2.gz WLESATBQBGPFHR-IUODEOHRSA-N 1 0 346.435 1.487 50 0 EDAARO O=C(CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)N1CCOCC1 ZINC000076107042 441599043 /nfs/dbraw/zinc/59/90/43/441599043.db2.gz HLXAUFGYQJQQGN-MSOLQXFVSA-N 1 0 332.444 1.823 50 0 EDAARO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nnn1-c1cc(F)ccc1C ZINC000067283406 441624838 /nfs/dbraw/zinc/62/48/38/441624838.db2.gz KGAMRRQWIBYMEX-UHFFFAOYSA-N 1 0 331.395 1.801 50 0 EDAARO CC(C)[N@H+](C)C[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000055284413 441638413 /nfs/dbraw/zinc/63/84/13/441638413.db2.gz DTQMAQCIDMQLGM-INIZCTEOSA-N 1 0 331.460 1.947 50 0 EDAARO Nc1nnc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)s1 ZINC000055575396 441655761 /nfs/dbraw/zinc/65/57/61/441655761.db2.gz YDBWLIPOZMEAFJ-NSHDSACASA-N 1 0 335.433 1.284 50 0 EDAARO Cc1nc(N(C)C)cc(NCCNC(=O)c2c(F)cccc2F)[nH+]1 ZINC000067622795 441659413 /nfs/dbraw/zinc/65/94/13/441659413.db2.gz CKQKVCQKOBEVKT-UHFFFAOYSA-N 1 0 335.358 1.971 50 0 EDAARO CC(C)Cc1cc(C(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000067654909 441663532 /nfs/dbraw/zinc/66/35/32/441663532.db2.gz DFVKWMZRSLFHSY-QGZVFWFLSA-N 1 0 346.475 1.725 50 0 EDAARO CCCC[N@H+](CCO)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000068045830 441717557 /nfs/dbraw/zinc/71/75/57/441717557.db2.gz VOSICYMIPDIUST-OAHLLOKOSA-N 1 0 325.405 1.387 50 0 EDAARO CC[N@@H+]1CCO[C@H](CCNC(=O)c2cc3ccccc3oc2=O)C1 ZINC000067851370 441688430 /nfs/dbraw/zinc/68/84/30/441688430.db2.gz SCSZUBHDVQFIDI-CQSZACIVSA-N 1 0 330.384 1.634 50 0 EDAARO O=S(=O)(c1ccc(-c2ccno2)o1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067867263 441689912 /nfs/dbraw/zinc/68/99/12/441689912.db2.gz SPVJBOAOOLNYNO-OAHLLOKOSA-N 1 0 337.401 1.699 50 0 EDAARO Cc1nccn1Cc1nnc(C2CC[NH+](CCCCO)CC2)n1C ZINC000091351164 441696878 /nfs/dbraw/zinc/69/68/78/441696878.db2.gz XIKSHRCTYGPKGT-UHFFFAOYSA-N 1 0 332.452 1.320 50 0 EDAARO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cnc(C)[nH]c2=O)C1 ZINC000091411152 441699273 /nfs/dbraw/zinc/69/92/73/441699273.db2.gz DHCVENCTDXPWLI-OAHLLOKOSA-N 1 0 340.427 1.606 50 0 EDAARO COCc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cn1 ZINC000091616672 441718648 /nfs/dbraw/zinc/71/86/48/441718648.db2.gz YVPMIFCRKTYQSA-IBGZPJMESA-N 1 0 344.459 1.848 50 0 EDAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCc3ccon3)C2)cc1 ZINC000091736323 441733403 /nfs/dbraw/zinc/73/34/03/441733403.db2.gz YFCQNXAEDIQGCV-KGLIPLIRSA-N 1 0 342.399 1.464 50 0 EDAARO Cc1occc1C(=O)N[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1C(C)C ZINC000091746070 441735100 /nfs/dbraw/zinc/73/51/00/441735100.db2.gz RGQIHCRQOPMSDY-SJORKVTESA-N 1 0 347.459 1.897 50 0 EDAARO Nc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)ccn1 ZINC000091794396 441744380 /nfs/dbraw/zinc/74/43/80/441744380.db2.gz JAYCEWUZOOTUNB-DOTOQJQBSA-N 1 0 337.427 1.795 50 0 EDAARO CC(C)(C)CC[N@@H+]1CCCn2nc(CCC(=O)NCCO)cc2C1 ZINC000091829650 441746288 /nfs/dbraw/zinc/74/62/88/441746288.db2.gz KAJOJYMKKABZLS-UHFFFAOYSA-N 1 0 336.480 1.566 50 0 EDAARO Cc1cccc(OCC[N@@H+](C)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000042532817 441746602 /nfs/dbraw/zinc/74/66/02/441746602.db2.gz JLBDXBYALRMSMT-CVEARBPZSA-N 1 0 347.459 1.418 50 0 EDAARO CC(C)[C@H](CNC(=O)Cn1nnc2ccccc2c1=O)[NH+]1CCCC1 ZINC000042553082 441750879 /nfs/dbraw/zinc/75/08/79/441750879.db2.gz DARSCFQYNIEMRN-INIZCTEOSA-N 1 0 343.431 1.028 50 0 EDAARO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091988077 441760020 /nfs/dbraw/zinc/76/00/20/441760020.db2.gz ZHYDNVRLEJGYEP-JKSUJKDBSA-N 1 0 338.411 1.919 50 0 EDAARO O=C(CCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)NCCO ZINC000092046939 441766055 /nfs/dbraw/zinc/76/60/55/441766055.db2.gz OGOGDQOTOLDLDI-UHFFFAOYSA-N 1 0 334.464 1.463 50 0 EDAARO Cc1ccnn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091655953 441726665 /nfs/dbraw/zinc/72/66/65/441726665.db2.gz DIRGOAZWADPGTJ-ZWKOTPCHSA-N 1 0 339.443 1.710 50 0 EDAARO O=C(CCC[NH+]1CCCCC1)N1CCN(CCn2cccc2)CC1 ZINC000095356399 441911832 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C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000095387436 218318809 /nfs/dbraw/zinc/31/88/09/218318809.db2.gz DMRYIOFARAIIMB-AWEZNQCLSA-N 1 0 343.431 1.153 50 0 EDAARO Cc1cccc(CC2(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000095388409 218321108 /nfs/dbraw/zinc/32/11/08/218321108.db2.gz DYMXTIMAJKPECG-KRWDZBQOSA-N 1 0 343.471 1.596 50 0 EDAARO Cn1ccnc1CN1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000095385858 218318320 /nfs/dbraw/zinc/31/83/20/218318320.db2.gz VCLRGOLGLMIABD-MRXNPFEDSA-N 1 0 333.480 1.329 50 0 EDAARO CC(C)=CC[NH+]1CCC(NC(=O)NC[C@](C)(O)c2cnn(C)c2)CC1 ZINC000095400965 218335837 /nfs/dbraw/zinc/33/58/37/218335837.db2.gz FIYRYIDYJRROTR-SFHVURJKSA-N 1 0 349.479 1.357 50 0 EDAARO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000095411166 218348275 /nfs/dbraw/zinc/34/82/75/218348275.db2.gz MFUKHGURXSAMTD-SJLPKXTDSA-N 1 0 348.491 1.306 50 0 EDAARO CC(C)Cn1nc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c2ccccc2c1=O ZINC000261691253 139217955 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CCC(=O)N1CC[N@@H+](C2CCN(c3ccccc3C)CC2)C[C@@H](O)C1 ZINC000097402462 219021530 /nfs/dbraw/zinc/02/15/30/219021530.db2.gz GBHUZMWFEWRGSD-GOSISDBHSA-N 1 0 345.487 1.879 50 0 EDAARO [NH3+]C1CCN(Cc2nnn3c2OC[C@H](c2cccc(F)c2)C3)CC1 ZINC000263617054 257899160 /nfs/dbraw/zinc/89/91/60/257899160.db2.gz LWBULHNHGPHHSH-CYBMUJFWSA-N 1 0 331.395 1.517 50 0 EDAARO CC1(C)CC(CC(=O)N2CCN(c3nc[nH]n3)CC2)CC(C)(C)[NH2+]1 ZINC000426634049 257960554 /nfs/dbraw/zinc/96/05/54/257960554.db2.gz UBSCHDRBKMKIOH-UHFFFAOYSA-N 1 0 334.468 1.400 50 0 EDAARO CC(C)[NH2+]C1(CO)CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000408522497 257978816 /nfs/dbraw/zinc/97/88/16/257978816.db2.gz AJECRFJPOKXXPS-KRWDZBQOSA-N 1 0 331.460 1.617 50 0 EDAARO COc1ccc2c(c1)n(O)c(C1=N[C@@H]3C=CC=C[C@@H]3S1)c(N)[n+]2=O ZINC000367889283 258003615 /nfs/dbraw/zinc/00/36/15/258003615.db2.gz IOKLLYXVFOMQIO-MFKMUULPSA-N 1 0 343.388 1.741 50 0 EDAARO C[C@H]1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)[C@H]1C[NH3+] ZINC000299738710 258010456 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Cc1cnn(CC[NH2+]CC(=O)N2CCN(c3cccc(C)c3)CC2)c1 ZINC000069974019 258063804 /nfs/dbraw/zinc/06/38/04/258063804.db2.gz MUDKWVBBQSDEAH-UHFFFAOYSA-N 1 0 341.459 1.438 50 0 EDAARO Cc1nc(-c2ccc(CNC(=O)CN3CCC[N@@H+](C)CC3)cc2)no1 ZINC000299759991 258077513 /nfs/dbraw/zinc/07/75/13/258077513.db2.gz SJWBFKNWEHSTKX-UHFFFAOYSA-N 1 0 343.431 1.299 50 0 EDAARO Cc1cc(NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)nc(N)[nH+]1 ZINC000299761090 258077859 /nfs/dbraw/zinc/07/78/59/258077859.db2.gz UNQPZUOVUUZSNU-UHFFFAOYSA-N 1 0 329.408 1.174 50 0 EDAARO O=C(NCc1noc([C@H]2CCCO2)n1)C1([NH+]2CCCC2)CCCC1 ZINC000299760565 258077945 /nfs/dbraw/zinc/07/79/45/258077945.db2.gz HURUPVHOYABBJY-CYBMUJFWSA-N 1 0 334.420 1.946 50 0 EDAARO CSCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000163932893 533603060 /nfs/dbraw/zinc/60/30/60/533603060.db2.gz HMUUXFAHDHZELJ-QWHCGFSZSA-N 1 0 333.461 1.516 50 0 EDAARO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000357847281 151171364 /nfs/dbraw/zinc/17/13/64/151171364.db2.gz IULFWLIDWYMTSU-CXAGYDPISA-N 1 0 338.473 1.025 50 0 EDAARO CO[C@@H]1C[C@@H]2C(=O)N([C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)C(=O)N2C1 ZINC000253432693 274069879 /nfs/dbraw/zinc/06/98/79/274069879.db2.gz MRJHGWSZFATIOV-QMCVQRASSA-N 1 0 343.427 1.701 50 0 EDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000044836288 276184834 /nfs/dbraw/zinc/18/48/34/276184834.db2.gz QOJPSZUZGUFPES-AWEZNQCLSA-N 1 0 331.416 1.551 50 0 EDAARO CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)C[NH+](C)C)CC2 ZINC000095528077 276755574 /nfs/dbraw/zinc/75/55/74/276755574.db2.gz SLWKMZDWSAMFLO-INIZCTEOSA-N 1 0 329.444 1.555 50 0 EDAARO CC1CC[NH+](CCCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000044869557 278539829 /nfs/dbraw/zinc/53/98/29/278539829.db2.gz UKQCFUJWFFKPQW-OAHLLOKOSA-N 1 0 345.509 1.039 50 0 EDAARO COc1ccccc1OC1(C(=O)[O-])CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000072426011 295375165 /nfs/dbraw/zinc/37/51/65/295375165.db2.gz TYFPXZPXECVSHE-OAHLLOKOSA-N 1 0 348.443 1.993 50 0 EDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2cccnc2N2CCOCC2)C1 ZINC000048221337 297358134 /nfs/dbraw/zinc/35/81/34/297358134.db2.gz PEGKRNBJBHAZGG-IYBDPMFKSA-N 1 0 346.475 1.626 50 0 EDAARO NC(=O)c1ccccc1OCc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000237850637 303348981 /nfs/dbraw/zinc/34/89/81/303348981.db2.gz PBKWFUSLPYRUJB-HNNXBMFYSA-N 1 0 339.395 1.538 50 0 EDAARO CCOC(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000002671295 440872468 /nfs/dbraw/zinc/87/24/68/440872468.db2.gz GVRICAFAAAYWDP-UHFFFAOYSA-N 1 0 347.400 1.549 50 0 EDAARO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH+](C)C)C2)c1 ZINC000044815374 440889172 /nfs/dbraw/zinc/88/91/72/440889172.db2.gz UIZFAVPROQDQFZ-MRXNPFEDSA-N 1 0 331.460 1.833 50 0 EDAARO CCC[NH+](CCC)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000005591210 440960079 /nfs/dbraw/zinc/96/00/79/440960079.db2.gz KGJJDUFNZNCTKQ-UHFFFAOYSA-N 1 0 349.431 1.650 50 0 EDAARO Cc1nc2n(n1)C[C@H]([NH2+]CC(=O)N(C1=CCCCC1)C1CC1)CC2 ZINC000070015936 441104233 /nfs/dbraw/zinc/10/42/33/441104233.db2.gz JSLXGQLODDPBEJ-CQSZACIVSA-N 1 0 329.448 1.940 50 0 EDAARO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)N1CCc2sccc2C1 ZINC000070039656 441107081 /nfs/dbraw/zinc/10/70/81/441107081.db2.gz MAQVFDYEOAZQGX-HNNXBMFYSA-N 1 0 330.457 1.994 50 0 EDAARO CN1C(=O)CC[C@@H](C(=O)NCCC[NH+](C)C)[C@@H]1c1ccccc1F ZINC000057355063 441110339 /nfs/dbraw/zinc/11/03/39/441110339.db2.gz LOYNMEURONHTEA-PBHICJAKSA-N 1 0 335.423 1.803 50 0 EDAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000057553642 441122054 /nfs/dbraw/zinc/12/20/54/441122054.db2.gz SORHKTKYAFLDEP-CYBMUJFWSA-N 1 0 342.374 1.338 50 0 EDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000069929210 441091937 /nfs/dbraw/zinc/09/19/37/441091937.db2.gz BKQZUJOGUJPGIW-OAHLLOKOSA-N 1 0 349.479 1.220 50 0 EDAARO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000012778109 441142556 /nfs/dbraw/zinc/14/25/56/441142556.db2.gz JXEMWLHEKREVBX-NSHDSACASA-N 1 0 327.812 1.885 50 0 EDAARO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012915737 441147885 /nfs/dbraw/zinc/14/78/85/441147885.db2.gz CCKCWQOZCKLXDB-COPLHBTASA-N 1 0 344.864 1.682 50 0 EDAARO C[C@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000071877121 441179923 /nfs/dbraw/zinc/17/99/23/441179923.db2.gz GWQMHFLCZNRLBO-WFASDCNBSA-N 1 0 343.265 1.481 50 0 EDAARO CC(C)=CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000071888089 441185188 /nfs/dbraw/zinc/18/51/88/441185188.db2.gz VDIRGWIMVCGQCN-KRWDZBQOSA-N 1 0 329.444 1.966 50 0 EDAARO c1ccc2nc(NC[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)cnc2c1 ZINC000058369999 441186049 /nfs/dbraw/zinc/18/60/49/441186049.db2.gz IVKQTYXQXWXQLG-INIZCTEOSA-N 1 0 341.459 1.696 50 0 EDAARO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000071897254 441188920 /nfs/dbraw/zinc/18/89/20/441188920.db2.gz GMTRQHDTWNFBAL-AWEZNQCLSA-N 1 0 325.453 1.005 50 0 EDAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)CCc2cn[nH]c2)[nH]1 ZINC000071751341 441150945 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CC(C)C[C@@H]1COCCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000079306004 217206127 /nfs/dbraw/zinc/20/61/27/217206127.db2.gz HRMCPAYQMJIBEO-QGZVFWFLSA-N 1 0 340.512 1.471 50 0 EDAARO CC1CC[NH+](CCCNC(=O)Cn2c3ccccc3oc2=O)CC1 ZINC000015736502 211848568 /nfs/dbraw/zinc/84/85/68/211848568.db2.gz FTZZCZSRNOAPHG-UHFFFAOYSA-N 1 0 331.416 1.833 50 0 EDAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]Cc1ccccn1 ZINC000012314955 211343687 /nfs/dbraw/zinc/34/36/87/211343687.db2.gz MDEQPSRKWKBNGY-IBGZPJMESA-N 1 0 343.402 1.864 50 0 EDAARO Cc1cccc(NC(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)c1 ZINC000091434849 218004817 /nfs/dbraw/zinc/00/48/17/218004817.db2.gz QYWMSVACFWJBKX-GOSISDBHSA-N 1 0 330.432 1.813 50 0 EDAARO Cc1nc(N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)sc1C ZINC000091440315 218006309 /nfs/dbraw/zinc/00/63/09/218006309.db2.gz LGXAXDKLXFSXHF-NOXHYTERSA-N 1 0 339.505 1.914 50 0 EDAARO NC(=O)[C@H]1CCC[N@H+](CCn2cc(-c3ccc(Cl)nc3)nn2)C1 ZINC000091535915 218019373 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CCc1noc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)n1 ZINC000092045988 218110265 /nfs/dbraw/zinc/11/02/65/218110265.db2.gz ZWMADBDOXMUUIY-SFHVURJKSA-N 1 0 348.447 1.626 50 0 EDAARO CN(C)[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccccc1F ZINC000095369591 218303095 /nfs/dbraw/zinc/30/30/95/218303095.db2.gz UYPJSAQJPBRZSV-SFHVURJKSA-N 1 0 349.450 1.752 50 0 EDAARO CC[NH+]1CCC(CC(=O)N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)CC1 ZINC000095376540 218308703 /nfs/dbraw/zinc/30/87/03/218308703.db2.gz HIEUVTSQJMJUNN-INIZCTEOSA-N 1 0 346.475 1.906 50 0 EDAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 ZINC000095384818 218317329 /nfs/dbraw/zinc/31/73/29/218317329.db2.gz GJEJHWMYOPIJLN-DGCLKSJQSA-N 1 0 339.823 1.211 50 0 EDAARO C[NH+]1CCN(c2ccccc2CNC(=O)NCC2(CO)CC2)CC1 ZINC000095406306 218342543 /nfs/dbraw/zinc/34/25/43/218342543.db2.gz NGLLANSEZABXTJ-UHFFFAOYSA-N 1 0 332.448 1.010 50 0 EDAARO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000095416630 218355432 /nfs/dbraw/zinc/35/54/32/218355432.db2.gz MELVIPNRJOXBCY-WMZOPIPTSA-N 1 0 347.507 1.913 50 0 EDAARO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CN1C ZINC000095421117 218363107 /nfs/dbraw/zinc/36/31/07/218363107.db2.gz PZCPZEUSNFAITD-SJLPKXTDSA-N 1 0 333.476 1.580 50 0 EDAARO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H]([NH3+])c3ccccc3)ccc2O1 ZINC000095432050 218374486 /nfs/dbraw/zinc/37/44/86/218374486.db2.gz SNFRFUZZQPSKED-WBMJQRKESA-N 1 0 332.425 1.988 50 0 EDAARO CNC(=O)c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095439078 218382615 /nfs/dbraw/zinc/38/26/15/218382615.db2.gz TULOJMIUDZIJBD-KRWDZBQOSA-N 1 0 340.423 1.844 50 0 EDAARO C[C@H](CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000153395939 224097559 /nfs/dbraw/zinc/09/75/59/224097559.db2.gz RLMUIHAMEFTMQT-FRRDWIJNSA-N 1 0 342.436 1.587 50 0 EDAARO Cn1c(=O)cc(OCC(=O)NCCC[NH+]2CCCC2)c2ccccc21 ZINC000005066474 210381478 /nfs/dbraw/zinc/38/14/78/210381478.db2.gz XTCFNDRQBIBJBA-UHFFFAOYSA-N 1 0 343.427 1.519 50 0 EDAARO Cc1nn(CCO)c(C)c1C[NH2+]Cc1cccc(Cn2cncn2)c1 ZINC000097159964 218976881 /nfs/dbraw/zinc/97/68/81/218976881.db2.gz VJPMECABDHUMNM-UHFFFAOYSA-N 1 0 340.431 1.422 50 0 EDAARO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000097235558 219002241 /nfs/dbraw/zinc/00/22/41/219002241.db2.gz XDPURDPIULQPDG-CJNGLKHVSA-N 1 0 326.462 1.812 50 0 EDAARO Cn1nc(C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)ccc1=O ZINC000097551372 219034263 /nfs/dbraw/zinc/03/42/63/219034263.db2.gz SBZRYYPMUQQARX-MRXNPFEDSA-N 1 0 341.415 1.132 50 0 EDAARO C[C@H]1CN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C[C@H](C)[NH2+]1 ZINC000154126785 224207375 /nfs/dbraw/zinc/20/73/75/224207375.db2.gz RNDFBYVOMRSRPU-RYUDHWBXSA-N 1 0 343.383 1.935 50 0 EDAARO O[C@@]1(CN(CCc2ccccc2)Cc2ccccn2)C[NH2+]CCOC1 ZINC000077357718 285344128 /nfs/dbraw/zinc/34/41/28/285344128.db2.gz LNOKJIJEZMKYFQ-HXUWFJFHSA-N 1 0 341.455 1.477 50 0 EDAARO Cc1cc(C)nc(-n2cc(C(=O)N3CC[NH2+][C@@H](C)C3)c(C(C)C)n2)n1 ZINC000236657155 258005455 /nfs/dbraw/zinc/00/54/55/258005455.db2.gz DCBCETYHHGRSER-AWEZNQCLSA-N 1 0 342.447 1.836 50 0 EDAARO C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299752014 258007177 /nfs/dbraw/zinc/00/71/77/258007177.db2.gz SJIAIMUYHREQBJ-WQAKAFBOSA-N 1 0 327.222 1.219 50 0 EDAARO C[C@@H](Cc1cnccn1)NC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299757788 258075304 /nfs/dbraw/zinc/07/53/04/258075304.db2.gz NJBXLASTKXNNMN-AWEZNQCLSA-N 1 0 332.448 1.415 50 0 EDAARO Cc1nc(CCN(C)C(=O)C2CC[NH+](C3CCOCC3)CC2)no1 ZINC000299758682 258075833 /nfs/dbraw/zinc/07/58/33/258075833.db2.gz LZQFQFVAXQNUEP-UHFFFAOYSA-N 1 0 336.436 1.270 50 0 EDAARO Cn1cccc1-c1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)[nH]n1 ZINC000299761998 258078831 /nfs/dbraw/zinc/07/88/31/258078831.db2.gz TXWJHFJDDAHFCX-RDJZCZTQSA-N 1 0 343.431 1.398 50 0 EDAARO C[NH+](C)[C@H]1CCN(CC(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000299765955 258080766 /nfs/dbraw/zinc/08/07/66/258080766.db2.gz YHFHLHSNZXMFBL-ZDUSSCGKSA-N 1 0 329.366 1.958 50 0 EDAARO CCc1nc2ncc(-c3ccnc(N4CC[NH+](C)CC4)n3)c(C)n2n1 ZINC000054201996 132190038 /nfs/dbraw/zinc/19/00/38/132190038.db2.gz ICZHMMRDWYCIFB-UHFFFAOYSA-N 1 0 338.419 1.204 50 0 EDAARO Cc1cccc2nc(CNC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cn21 ZINC000333468113 141322144 /nfs/dbraw/zinc/32/21/44/141322144.db2.gz ADIODYBMKTUWQD-GOSISDBHSA-N 1 0 327.432 1.928 50 0 EDAARO COc1ccc(OC)c(N2C[C@@H](C(=O)NC[C@H](C)[NH+](C)C)CC2=O)c1 ZINC000046271791 286342876 /nfs/dbraw/zinc/34/28/76/286342876.db2.gz GTVDJRNBSJIMRW-STQMWFEESA-N 1 0 349.431 1.123 50 0 EDAARO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237551548 292343878 /nfs/dbraw/zinc/34/38/78/292343878.db2.gz ODHSVJBKHGOJDD-CYBMUJFWSA-N 1 0 341.415 1.939 50 0 EDAARO COc1cc2c(c(OC)c1OC)CC[N@H+](CCn1cncn1)CC2 ZINC000083925338 274100502 /nfs/dbraw/zinc/10/05/02/274100502.db2.gz RBMXPJYQCKMOIK-UHFFFAOYSA-N 1 0 332.404 1.405 50 0 EDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O ZINC000069438433 276787513 /nfs/dbraw/zinc/78/75/13/276787513.db2.gz ZTZSCCGFYZPROV-HNNXBMFYSA-N 1 0 344.411 1.976 50 0 EDAARO O=C(C[C@H]1COCC[NH2+]1)NCc1nccn1CCc1ccccc1 ZINC000286160612 287949537 /nfs/dbraw/zinc/94/95/37/287949537.db2.gz QHGWUNZUBHWISK-INIZCTEOSA-N 1 0 328.416 1.121 50 0 EDAARO CC(=O)N1CCC(C(=O)NC[C@H](c2cccc(C)c2)[NH+](C)C)CC1 ZINC000067692079 277982109 /nfs/dbraw/zinc/98/21/09/277982109.db2.gz PTDWKOWNNRRNFX-GOSISDBHSA-N 1 0 331.460 1.972 50 0 EDAARO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000237508650 278124348 /nfs/dbraw/zinc/12/43/48/278124348.db2.gz JDBQQFPBKVDLNS-GWCFXTLKSA-N 1 0 345.490 1.132 50 0 EDAARO CCN1CC2(CCN(C(=O)C[NH2+]C)CC2)C[C@@H](c2ccccc2)C1=O ZINC000092022599 279256244 /nfs/dbraw/zinc/25/62/44/279256244.db2.gz KJXRKQGANLZBSA-KRWDZBQOSA-N 1 0 343.471 1.851 50 0 EDAARO Cc1c(NC(=O)CN(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)cnn1C ZINC000244794996 280242683 /nfs/dbraw/zinc/24/26/83/280242683.db2.gz QXTPUQKETKGBLO-KRWDZBQOSA-N 1 0 341.459 1.656 50 0 EDAARO C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000043189924 289035288 /nfs/dbraw/zinc/03/52/88/289035288.db2.gz MGSUIZJJLXCUCE-CYBMUJFWSA-N 1 0 330.436 1.916 50 0 EDAARO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000096257304 295151733 /nfs/dbraw/zinc/15/17/33/295151733.db2.gz NDDIXBATZJMFAV-ABCZVMIZSA-N 1 0 333.457 1.702 50 0 EDAARO C[NH+](C)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001837025 440853560 /nfs/dbraw/zinc/85/35/60/440853560.db2.gz BFKLSKIXGUBSIS-INIZCTEOSA-N 1 0 334.441 1.804 50 0 EDAARO COc1ccccc1N1CC[NH+](CCCCN2C(=O)CCC2=O)CC1 ZINC000002009671 440855455 /nfs/dbraw/zinc/85/54/55/440855455.db2.gz MQHOGPLXAXSQAJ-UHFFFAOYSA-N 1 0 345.443 1.746 50 0 in-vitro EDAARO Cn1cc(C[N@H+](C)C[C@@H](O)COCc2ccc3c(c2)OCO3)cn1 ZINC000044890593 440899976 /nfs/dbraw/zinc/89/99/76/440899976.db2.gz AOQBZEXDHGJWNO-OAHLLOKOSA-N 1 0 333.388 1.158 50 0 EDAARO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2N)CC1 ZINC000003887413 440909389 /nfs/dbraw/zinc/90/93/89/440909389.db2.gz QKNXZXOCHILSCB-UHFFFAOYSA-N 1 0 338.477 1.195 50 0 EDAARO NS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cccs2)c1 ZINC000007156646 441038340 /nfs/dbraw/zinc/03/83/40/441038340.db2.gz AVOXAHCHOMVIQR-UHFFFAOYSA-N 1 0 325.415 1.124 50 0 EDAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069948525 441094465 /nfs/dbraw/zinc/09/44/65/441094465.db2.gz RBUAFQARLHTYDZ-SDDRHHMPSA-N 1 0 345.369 1.420 50 0 EDAARO COc1ccc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cn2n1 ZINC000097938763 441146155 /nfs/dbraw/zinc/14/61/55/441146155.db2.gz UQVQQHVLXVTGTL-UHFFFAOYSA-N 1 0 343.431 1.828 50 0 EDAARO CCn1cc2[nH]c(OC)c(CNC(=O)[C@@H]3CCC[N@H+](C)C3)cc-2c1=O ZINC000071615257 441147252 /nfs/dbraw/zinc/14/72/52/441147252.db2.gz VWTHXYVEQAVMIK-GFCCVEGCSA-N 1 0 346.431 1.024 50 0 EDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000071864512 441173325 /nfs/dbraw/zinc/17/33/25/441173325.db2.gz OHRMBCSYSGPXHZ-QGZVFWFLSA-N 1 0 344.459 1.657 50 0 EDAARO C[C@@H]([NH2+]C[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cn1 ZINC000071871874 441178793 /nfs/dbraw/zinc/17/87/93/441178793.db2.gz HSDABZIDLYXBAN-GHMZBOCLSA-N 1 0 334.811 1.506 50 0 EDAARO CC[NH+](CC)CCn1cc(NC(=O)c2ccc(C(N)=O)cc2)cn1 ZINC000058326982 441180114 /nfs/dbraw/zinc/18/01/14/441180114.db2.gz CHZLNVDBWVVHBN-UHFFFAOYSA-N 1 0 329.404 1.576 50 0 EDAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccn1 ZINC000071880599 441182312 /nfs/dbraw/zinc/18/23/12/441182312.db2.gz LBZPGYATZPPDHQ-IAGOWNOFSA-N 1 0 330.432 1.173 50 0 EDAARO Cc1ccc([C@H](CNC(=O)CN(C)c2cnccn2)[NH+](C)C)cc1 ZINC000058343849 441183554 /nfs/dbraw/zinc/18/35/54/441183554.db2.gz LZUXHFPIBIRSJR-INIZCTEOSA-N 1 0 327.432 1.640 50 0 EDAARO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N4CCC[C@@H]4C(=O)N3C2)c1 ZINC000014743343 441188188 /nfs/dbraw/zinc/18/81/88/441188188.db2.gz DECRWBNCQLCDGF-IMJJTQAJSA-N 1 0 331.391 1.198 50 0 EDAARO C[C@@H](C(=O)N1CCCC1)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058393089 441188978 /nfs/dbraw/zinc/18/89/78/441188978.db2.gz QFEQKMBBHOQCGM-AWEZNQCLSA-N 1 0 333.432 1.619 50 0 EDAARO O=C(CCN1CC[NH2+]CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071759275 441152024 /nfs/dbraw/zinc/15/20/24/441152024.db2.gz SOBNMQFJABHNEU-INIZCTEOSA-N 1 0 337.851 1.535 50 0 EDAARO CC(C)COc1ccc(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000058162705 441155306 /nfs/dbraw/zinc/15/53/06/441155306.db2.gz MLHZJXXJQQDDLW-UHFFFAOYSA-N 1 0 348.491 1.872 50 0 EDAARO COc1c(C[NH2+]CCn2nc3ccccn3c2=O)c(C(C)C)nn1C ZINC000058407322 441191618 /nfs/dbraw/zinc/19/16/18/441191618.db2.gz XABKNJTXLRIMBO-UHFFFAOYSA-N 1 0 344.419 1.151 50 0 EDAARO O=C(C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1)N1CCSCC1 ZINC000014955027 441191845 /nfs/dbraw/zinc/19/18/45/441191845.db2.gz SSJGHPDRJHJNDL-HNNXBMFYSA-N 1 0 339.505 1.333 50 0 EDAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(-n3ccnc3C)nc1)CN2 ZINC000058432799 441194622 /nfs/dbraw/zinc/19/46/22/441194622.db2.gz VNXBBDPEWNCSBI-MRXNPFEDSA-N 1 0 337.431 1.912 50 0 EDAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cnc2ccccc2c1=O ZINC000071924345 441199356 /nfs/dbraw/zinc/19/93/56/441199356.db2.gz QIBBTLGEHNCSCX-HNNXBMFYSA-N 1 0 342.443 1.777 50 0 EDAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)c3ccccc3O)CC2)[C@H]1O ZINC000072170432 441206135 /nfs/dbraw/zinc/20/61/35/441206135.db2.gz KOACVPFLWHLKJT-MSOLQXFVSA-N 1 0 338.407 1.941 50 0 EDAARO CC(C)c1noc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000072269236 441212197 /nfs/dbraw/zinc/21/21/97/441212197.db2.gz VBFBUYHRWWIYKR-ZIAGYGMSSA-N 1 0 336.436 1.183 50 0 EDAARO O=C(Cc1ccc2c(c1)CCO2)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269595 441213944 /nfs/dbraw/zinc/21/39/44/441213944.db2.gz QUHWAMGMZQMJGB-DLBZAZTESA-N 1 0 330.428 1.222 50 0 EDAARO CC[C@@H]1CN(Cc2csc(-c3cnn(C)c3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000072279777 441218445 /nfs/dbraw/zinc/21/84/45/441218445.db2.gz JVSPZLBVYQBEDB-CZUORRHYSA-N 1 0 349.504 1.821 50 0 EDAARO COC(=O)[C@@H]1C[C@@H](O)[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072309023 441229120 /nfs/dbraw/zinc/22/91/20/441229120.db2.gz PTCKKZIVUDCMIJ-VBNZEHGJSA-N 1 0 338.835 1.775 50 0 EDAARO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000018190306 441249841 /nfs/dbraw/zinc/24/98/41/441249841.db2.gz HDXGZHRBCBGPJD-CQSZACIVSA-N 1 0 349.818 1.165 50 0 EDAARO Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799745 441393365 /nfs/dbraw/zinc/39/33/65/441393365.db2.gz IGHGGGLZKPJIMB-UHFFFAOYSA-N 1 0 341.415 1.941 50 0 EDAARO CC(C)[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)[NH+]1CCCC1 ZINC000063854585 441358715 /nfs/dbraw/zinc/35/87/15/441358715.db2.gz DSNHFNUMEPCBIO-GOSISDBHSA-N 1 0 330.476 1.846 50 0 EDAARO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(Cn3cccn3)CC2)C[C@H](C)O1 ZINC000106585663 441360286 /nfs/dbraw/zinc/36/02/86/441360286.db2.gz IYUUGGYVNDVADA-JZXOWHBKSA-N 1 0 336.480 1.065 50 0 EDAARO CC[NH+](CC)CCn1cnc2c3c(sc2c1=O)SCC(=O)N3 ZINC000027562797 441405691 /nfs/dbraw/zinc/40/56/91/441405691.db2.gz LDDHISOGRIMPIX-UHFFFAOYSA-N 1 0 338.458 1.844 50 0 EDAARO CCNc1cc(N2CCC[C@H](CCC(=O)NCC[NH+](C)C)C2)ncn1 ZINC000065245038 441409510 /nfs/dbraw/zinc/40/95/10/441409510.db2.gz 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ZINC000888096076 591026569 /nfs/dbraw/zinc/02/65/69/591026569.db2.gz RREBFQRPLXZFKF-OCCSQVGLSA-N 1 0 328.482 1.612 50 0 EDAARO Cc1c(S(=O)(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)cnn1C ZINC000888096070 591026882 /nfs/dbraw/zinc/02/68/82/591026882.db2.gz RREBFQRPLXZFKF-GXTWGEPZSA-N 1 0 328.482 1.612 50 0 EDAARO CN1CCC[C@@](O)(C[NH2+]Cc2cnn(-c3cccc(F)c3)c2)C1=O ZINC000012072951 710385765 /nfs/dbraw/zinc/38/57/65/710385765.db2.gz WLMZRAAORMQACG-QGZVFWFLSA-N 1 0 332.379 1.084 50 0 EDAARO Cc1cc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc(N)[nH+]1 ZINC000052358554 214127123 /nfs/dbraw/zinc/12/71/23/214127123.db2.gz FCJGTHQEZRBSRA-UHFFFAOYSA-N 1 0 347.444 1.764 50 0 EDAARO C[NH+]1CCN(Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)CC1 ZINC000097679833 219047135 /nfs/dbraw/zinc/04/71/35/219047135.db2.gz FHBQXCFXCKMZGW-UHFFFAOYSA-N 1 0 345.468 1.900 50 0 EDAARO CC(C)=CC[N@@H+]1CCN(C(=O)Cc2ccc(CO)cc2)C[C@H](O)C1 ZINC000097729651 219051216 /nfs/dbraw/zinc/05/12/16/219051216.db2.gz WDTNMCVILNFIFE-GOSISDBHSA-N 1 0 332.444 1.193 50 0 EDAARO C[N@H+](CCNC(=O)c1ccnc(-n2cncn2)c1)Cc1ccccc1 ZINC000054281660 214229412 /nfs/dbraw/zinc/22/94/12/214229412.db2.gz MXPPKIJQRDDLDU-UHFFFAOYSA-N 1 0 336.399 1.524 50 0 EDAARO Cc1nc(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000055283419 214302189 /nfs/dbraw/zinc/30/21/89/214302189.db2.gz FZYFORDHWSGSPK-AWEZNQCLSA-N 1 0 331.445 1.596 50 0 EDAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000097766361 219055578 /nfs/dbraw/zinc/05/55/78/219055578.db2.gz UDTMDWOWFOWQCO-AWEZNQCLSA-N 1 0 330.432 1.960 50 0 EDAARO CNC(=O)c1cccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1C ZINC000102716929 219224325 /nfs/dbraw/zinc/22/43/25/219224325.db2.gz MOEXHDHMCVKKCC-CQSZACIVSA-N 1 0 328.416 1.833 50 0 EDAARO C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000066946120 215097395 /nfs/dbraw/zinc/09/73/95/215097395.db2.gz DNVMOJILIQSXTH-QGZVFWFLSA-N 1 0 331.460 1.536 50 0 EDAARO O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CCC[C@H]1Cn1cccn1 ZINC000685942051 539581040 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CCS(=O)(=O)NCC[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000067804049 215216521 /nfs/dbraw/zinc/21/65/21/215216521.db2.gz ARQWWMXDRWLXPY-CQSZACIVSA-N 1 0 326.462 1.934 50 0 EDAARO O=C([C@@H]1CCCO1)N1CCC([NH2+]CCN2CCc3ccccc32)CC1 ZINC000067880711 215239071 /nfs/dbraw/zinc/23/90/71/215239071.db2.gz SKMNGMHBRNIQIS-IBGZPJMESA-N 1 0 343.471 1.809 50 0 EDAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(O)(CO)CC2)cc1OC ZINC000067909183 215247834 /nfs/dbraw/zinc/24/78/34/215247834.db2.gz VKOSIVHOPZCIQF-UHFFFAOYSA-N 1 0 347.415 1.413 50 0 EDAARO COc1ccccc1OCc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)[nH]n1 ZINC000067935059 215252259 /nfs/dbraw/zinc/25/22/59/215252259.db2.gz XTFCCVKHWUCHDE-LBPRGKRZSA-N 1 0 330.388 1.479 50 0 EDAARO COc1ccc(CN2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000103461144 219303066 /nfs/dbraw/zinc/30/30/66/219303066.db2.gz KPEUHEPSDOSTDO-GXFFZTMASA-N 1 0 342.442 1.353 50 0 EDAARO COCC[N@@H+]1CC[C@H](CNC(=O)CSc2cccc(OC)c2)C1 ZINC000068492753 215312971 /nfs/dbraw/zinc/31/29/71/215312971.db2.gz IEHHBAXRDLMSIV-CQSZACIVSA-N 1 0 338.473 1.872 50 0 EDAARO O=C(Cn1ncc2ccccc2c1=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000040534767 213339788 /nfs/dbraw/zinc/33/97/88/213339788.db2.gz GUAQTEPKIQKUGJ-HZPDHXFCSA-N 1 0 326.400 1.140 50 0 EDAARO COCc1ccccc1C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000069920152 215630652 /nfs/dbraw/zinc/63/06/52/215630652.db2.gz ZZWOWRPADCQCEZ-QGZVFWFLSA-N 1 0 334.460 1.998 50 0 EDAARO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1Br ZINC000036300032 213083293 /nfs/dbraw/zinc/08/32/93/213083293.db2.gz ANZWMSRFHXWNBB-UHFFFAOYSA-N 1 0 333.251 1.822 50 0 EDAARO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1(O)CCC1 ZINC000187505894 236229092 /nfs/dbraw/zinc/22/90/92/236229092.db2.gz PBBLPYKAZKVARJ-KRWDZBQOSA-N 1 0 332.444 1.463 50 0 EDAARO Cc1cccc(-c2cc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)no2)c1 ZINC000036001906 213054316 /nfs/dbraw/zinc/05/43/16/213054316.db2.gz ZETROMLLZBSYLX-CYBMUJFWSA-N 1 0 344.415 1.446 50 0 EDAARO COc1cccc(C(=O)N(CCC(C)C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000033032524 212891372 /nfs/dbraw/zinc/89/13/72/212891372.db2.gz GVKPAARFTFPSBD-UHFFFAOYSA-N 1 0 347.459 1.615 50 0 EDAARO CNc1ncc(CN(C)C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)cn1 ZINC000072149539 216037030 /nfs/dbraw/zinc/03/70/30/216037030.db2.gz XBMVAWZFFNLTHO-CQSZACIVSA-N 1 0 325.416 1.867 50 0 EDAARO [NH3+]C[C@H]1CCN(C(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000178531587 283518404 /nfs/dbraw/zinc/51/84/04/283518404.db2.gz FELHZJTUXWBONM-LLVKDONJSA-N 1 0 332.322 1.814 50 0 EDAARO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C(CO)CO)C3)C2)c1 ZINC000072431818 216226018 /nfs/dbraw/zinc/22/60/18/216226018.db2.gz VJPGBXFLGDPPDB-LJQANCHMSA-N 1 0 334.460 1.336 50 0 EDAARO O=C1CC[C@@]2(CCC[N@@H+](CCOCCO)C2)CN1Cc1ccccn1 ZINC000072447384 216238034 /nfs/dbraw/zinc/23/80/34/216238034.db2.gz QTNTZPPMBLKOKR-LJQANCHMSA-N 1 0 347.459 1.295 50 0 EDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)Cc3cccs3)CC[C@H]21 ZINC000072453648 216240446 /nfs/dbraw/zinc/24/04/46/216240446.db2.gz BFERDWTZKONRGU-DZGCQCFKSA-N 1 0 335.473 1.350 50 0 EDAARO COCCNc1nc2c(c(NCCc3cccs3)n1)CC[NH2+]CC2 ZINC000072477263 216255429 /nfs/dbraw/zinc/25/54/29/216255429.db2.gz RKONXLZVINGVDB-UHFFFAOYSA-N 1 0 347.488 1.939 50 0 EDAARO COC(=O)[C@@H](C[NH+]1CCCC1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000024927101 291252790 /nfs/dbraw/zinc/25/27/90/291252790.db2.gz SWNDJQGTXIQNIL-MFKMUULPSA-N 1 0 335.326 1.055 50 0 EDAARO O=C(CCc1ccncn1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000191811490 239312903 /nfs/dbraw/zinc/31/29/03/239312903.db2.gz JWHQVMHXOCZOEV-UHFFFAOYSA-N 1 0 332.448 1.561 50 0 EDAARO CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](C)CC2)c(C)c1 ZINC000022999760 212341682 /nfs/dbraw/zinc/34/16/82/212341682.db2.gz BFMBBYHZLDLYJM-UHFFFAOYSA-N 1 0 339.461 1.574 50 0 EDAARO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000022934927 212337591 /nfs/dbraw/zinc/33/75/91/212337591.db2.gz HHADEPWSSVJWNL-AWEZNQCLSA-N 1 0 339.867 1.861 50 0 EDAARO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(CCO)CC2)CC(C)(C)C1 ZINC000022588977 212307835 /nfs/dbraw/zinc/30/78/35/212307835.db2.gz 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C[N@@H+]1CCN2CCN(Cc3ccccc3Cn3cccn3)C[C@@H]2C1 ZINC000065393625 441423228 /nfs/dbraw/zinc/42/32/28/441423228.db2.gz MDXWOZCIIUVFKZ-IBGZPJMESA-N 1 0 325.460 1.363 50 0 EDAARO CC[C@@H](CNC(=O)NCc1nncn1-c1ccccc1)[NH+]1CCCC1 ZINC000065439522 441434242 /nfs/dbraw/zinc/43/42/42/441434242.db2.gz JYRITILDTZCOBJ-HNNXBMFYSA-N 1 0 342.447 1.941 50 0 EDAARO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)COC)cn2)CC1 ZINC000065447308 441436003 /nfs/dbraw/zinc/43/60/03/441436003.db2.gz GTNZIQJKPLAQLW-OAHLLOKOSA-N 1 0 349.479 1.400 50 0 EDAARO CN(C)c1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)cn1 ZINC000108264050 441439379 /nfs/dbraw/zinc/43/93/79/441439379.db2.gz PPOZMAAKKWHGHB-LJQANCHMSA-N 1 0 340.471 1.826 50 0 EDAARO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436645 441440788 /nfs/dbraw/zinc/44/07/88/441440788.db2.gz LYGVZIZFAZSURO-MRKPZDFFSA-N 1 0 344.411 1.344 50 0 EDAARO O=C(CC[NH+]1CCC(N2CCNC2=O)CC1)N1CCc2ccccc21 ZINC000052217404 441441788 /nfs/dbraw/zinc/44/17/88/441441788.db2.gz OHUNLHRXVYJPDL-UHFFFAOYSA-N 1 0 342.443 1.455 50 0 EDAARO CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)C1=O ZINC000065502543 441447239 /nfs/dbraw/zinc/44/72/39/441447239.db2.gz HVHBRXMYLLXWMG-CQSZACIVSA-N 1 0 345.447 1.536 50 0 EDAARO COCC[N@H+](CCNC(=O)/C=C/c1cccc(OC)c1OC)C1CC1 ZINC000065613143 441470865 /nfs/dbraw/zinc/47/08/65/441470865.db2.gz REYRAXBKFIOWHQ-JXMROGBWSA-N 1 0 348.443 1.944 50 0 EDAARO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000030667909 441500283 /nfs/dbraw/zinc/50/02/83/441500283.db2.gz QFFLTTUVDDAGGI-UHFFFAOYSA-N 1 0 348.472 1.776 50 0 EDAARO COc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(OC)c1 ZINC000030656149 441500381 /nfs/dbraw/zinc/50/03/81/441500381.db2.gz IPGCSCZCXVJABK-UHFFFAOYSA-N 1 0 328.434 1.217 50 0 EDAARO c1nn(-c2ccccc2)nc1C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000075128927 441498718 /nfs/dbraw/zinc/49/87/18/441498718.db2.gz DYEORDLEODICKX-KRWDZBQOSA-N 1 0 335.415 1.816 50 0 EDAARO CC[NH+]1CCN(CCNC(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000065577992 441462950 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1.533 50 0 EDAARO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000084281226 486254087 /nfs/dbraw/zinc/25/40/87/486254087.db2.gz RCXHUMRWUBINCN-MRXNPFEDSA-N 1 0 329.404 1.439 50 0 EDAARO COc1ccc(C[C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cc1OC ZINC000670419533 486483769 /nfs/dbraw/zinc/48/37/69/486483769.db2.gz NWEWRSILPXZAIA-CYBMUJFWSA-N 1 0 344.477 1.552 50 0 EDAARO COc1cc(F)c(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(F)c1 ZINC000670454663 486540451 /nfs/dbraw/zinc/54/04/51/486540451.db2.gz CRGWQDLFSWZSIL-NSHDSACASA-N 1 0 328.359 1.550 50 0 EDAARO Cc1ccc(CNC(=O)C2CC[NH+](CCn3cnnc3)CC2)cc1 ZINC000670473121 486567258 /nfs/dbraw/zinc/56/72/58/486567258.db2.gz QYVUSFQQJHICNM-UHFFFAOYSA-N 1 0 327.432 1.615 50 0 EDAARO CCCn1ncnc1[C@@H](C)NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000240825177 519895799 /nfs/dbraw/zinc/89/57/99/519895799.db2.gz QNSVOLWTHXRJNF-UPJWGTAASA-N 1 0 346.439 1.213 50 0 EDAARO Cn1c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21 ZINC000154790720 534687352 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ZINC000051449844 214094440 /nfs/dbraw/zinc/09/44/40/214094440.db2.gz WZRQBNGGVXHRQM-MRXNPFEDSA-N 1 0 333.432 1.224 50 0 EDAARO CC(=O)N1CCC([N@@H+]2CCN(Cc3ccsc3)C[C@H](O)C2)CC1 ZINC000097655548 219043946 /nfs/dbraw/zinc/04/39/46/219043946.db2.gz BYWOFGUBGRFLGG-KRWDZBQOSA-N 1 0 337.489 1.238 50 0 EDAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC(=O)N1CCOCC1 ZINC000053017456 214159436 /nfs/dbraw/zinc/15/94/36/214159436.db2.gz VIANPBNTBVFHGA-UHFFFAOYSA-N 1 0 342.443 1.828 50 0 EDAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1cc(-c2ccncc2)n[nH]1 ZINC000097698678 219049521 /nfs/dbraw/zinc/04/95/21/219049521.db2.gz OJVLAEKGHBDOQX-AWEZNQCLSA-N 1 0 329.404 1.048 50 0 EDAARO COCCC[NH+]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC000097785367 219057706 /nfs/dbraw/zinc/05/77/06/219057706.db2.gz JAKCNGNJOSCRBI-UHFFFAOYSA-N 1 0 329.400 1.322 50 0 EDAARO C[C@@H]1CN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000066891454 215091182 /nfs/dbraw/zinc/09/11/82/215091182.db2.gz ILKJPYOAQKOYTK-GASCZTMLSA-N 1 0 347.463 1.152 50 0 EDAARO O=C(c1cn[nH]c1[C@@H]1CCCC[NH2+]1)N1CCc2cc[nH]c(=O)c2C1 ZINC000685942911 539582557 /nfs/dbraw/zinc/58/25/57/539582557.db2.gz SXJARQHDUVMSEU-AWEZNQCLSA-N 1 0 327.388 1.523 50 0 EDAARO CN(Cc1nnc(C2CC2)n1C)C(=O)c1cn[nH]c1[C@H]1CCCC[NH2+]1 ZINC000685943161 539583095 /nfs/dbraw/zinc/58/30/95/539583095.db2.gz XDJCNLJQQVXOGY-CYBMUJFWSA-N 1 0 343.435 1.502 50 0 EDAARO CCc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](C[NH2+]C3CC(n4cccn4)C3)C2)n1 ZINC000685940891 539579051 /nfs/dbraw/zinc/57/90/51/539579051.db2.gz JRNHDZBQYCQSJZ-FKQQDJLNSA-N 1 0 330.436 1.411 50 0 EDAARO C[N@@H+]1CCC=C(CN(C[C@@H]2CCC(=O)N2)C(=O)C2CCCCC2)C1 ZINC000067459911 215149352 /nfs/dbraw/zinc/14/93/52/215149352.db2.gz WGZVBGDOHLQFIE-KRWDZBQOSA-N 1 0 333.476 1.936 50 0 EDAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1c(C)nccc1-c1ccccc1 ZINC000067514462 215157257 /nfs/dbraw/zinc/15/72/57/215157257.db2.gz FLFWHMVTGHEOAB-ZBFHGGJFSA-N 1 0 338.411 1.345 50 0 EDAARO O=C(COc1cccnc1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000067673278 215177596 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COc1cccc(CN2CCC[C@@](O)(C[NH+]3CCCC3)C2=O)c1OC ZINC000067842283 215226749 /nfs/dbraw/zinc/22/67/49/215226749.db2.gz HPDHVZDADMLNPV-LJQANCHMSA-N 1 0 348.443 1.653 50 0 EDAARO O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067841631 215227364 /nfs/dbraw/zinc/22/73/64/215227364.db2.gz IANVVHIAFBRIKT-KRWDZBQOSA-N 1 0 346.456 1.637 50 0 EDAARO O=C(CO)NC[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000067856393 215233935 /nfs/dbraw/zinc/23/39/35/215233935.db2.gz RIFOJUBTYXTTIJ-AWEZNQCLSA-N 1 0 332.448 1.455 50 0 EDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCOC(C)(C)C3)cnn2c1 ZINC000067881464 215240349 /nfs/dbraw/zinc/24/03/49/215240349.db2.gz CUSGTTZVJVZIBW-UHFFFAOYSA-N 1 0 345.447 1.822 50 0 EDAARO CCC[N@@H+]1CCO[C@H](CCNC(=O)C(=O)N2CCCCCC2)C1 ZINC000067885564 215240900 /nfs/dbraw/zinc/24/09/00/215240900.db2.gz GPVCYPFGFVZCJM-OAHLLOKOSA-N 1 0 325.453 1.006 50 0 EDAARO COc1c(F)ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)c1F ZINC000067921325 215251596 /nfs/dbraw/zinc/25/15/96/215251596.db2.gz NFSNDHMQHQKLKZ-CABZTGNLSA-N 1 0 341.358 1.040 50 0 EDAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)N(Cc1nccs1)Cc1ccccc1 ZINC000067967854 215261722 /nfs/dbraw/zinc/26/17/22/215261722.db2.gz UHZMJMOQAPWBOV-GJZGRUSLSA-N 1 0 330.457 1.703 50 0 EDAARO Cc1[nH]nc2ncc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000068031466 215271695 /nfs/dbraw/zinc/27/16/95/215271695.db2.gz LBKROTVVCPCDEQ-VXGBXAGGSA-N 1 0 331.420 1.495 50 0 EDAARO COCC[N@@H+]1CC[C@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000068493432 215312352 /nfs/dbraw/zinc/31/23/52/215312352.db2.gz XSYDSFUGXZFEJG-OAHLLOKOSA-N 1 0 334.416 1.432 50 0 EDAARO Cc1ccc(CN2CC[N@H+](CCCn3cccn3)C[C@H]2CCO)o1 ZINC000104298105 219372062 /nfs/dbraw/zinc/37/20/62/219372062.db2.gz PUWMLOFYNMSARE-QGZVFWFLSA-N 1 0 332.448 1.743 50 0 EDAARO CN(C(=O)CN1CCC(C[NH+]2CCOCC2)CC1)c1nccs1 ZINC000069028465 215353775 /nfs/dbraw/zinc/35/37/75/215353775.db2.gz WCVCZABWTHQOON-UHFFFAOYSA-N 1 0 338.477 1.150 50 0 EDAARO O=C(Cn1nnc2ccccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040539045 213342431 /nfs/dbraw/zinc/34/24/31/213342431.db2.gz NLCQPKUHPOJFMF-UHFFFAOYSA-N 1 0 343.431 1.002 50 0 EDAARO Cc1nnc(NC(=O)NC[C@H](C[NH+](C)C)[C@H](O)c2ccccc2)s1 ZINC000040526488 213336006 /nfs/dbraw/zinc/33/60/06/213336006.db2.gz DXLJZGPZNRTRGZ-ZIAGYGMSSA-N 1 0 349.460 1.879 50 0 EDAARO Cc1nn(C)c2nc(C)c(C(=O)N3CC[NH+](CC(C)C)CC3)cc12 ZINC000040501959 213324852 /nfs/dbraw/zinc/32/48/52/213324852.db2.gz HUZOYMCTOQQJQH-UHFFFAOYSA-N 1 0 329.448 1.999 50 0 EDAARO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC000069487359 215439606 /nfs/dbraw/zinc/43/96/06/215439606.db2.gz BHXNJNVIWVNMTM-GFCCVEGCSA-N 1 0 325.482 1.635 50 0 EDAARO CCS(=O)(=O)N1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000040119076 213269253 /nfs/dbraw/zinc/26/92/53/213269253.db2.gz ZYEPPGXZWDUZHZ-UHFFFAOYSA-N 1 0 326.418 1.319 50 0 EDAARO CCC[N@@H+]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000069780294 215580914 /nfs/dbraw/zinc/58/09/14/215580914.db2.gz JWRULFOQFMQFST-UHFFFAOYSA-N 1 0 342.443 1.731 50 0 EDAARO O=C(NCC[NH+]1CCCC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000035429234 213027584 /nfs/dbraw/zinc/02/75/84/213027584.db2.gz VGRZHUVEUZLINN-HNNXBMFYSA-N 1 0 335.835 1.905 50 0 EDAARO CN(C(=O)C1(C(N)=O)CC1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072125668 216016753 /nfs/dbraw/zinc/01/67/53/216016753.db2.gz JNEJEJKNEWILRC-KRWDZBQOSA-N 1 0 343.471 1.808 50 0 EDAARO O=C(c1cccnc1)[C@H]1CCCN(Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072162162 216050629 /nfs/dbraw/zinc/05/06/29/216050629.db2.gz GJXBPUHALURRBB-INIZCTEOSA-N 1 0 339.443 1.866 50 0 EDAARO Cc1ccc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)cc1F ZINC000072170424 216062303 /nfs/dbraw/zinc/06/23/03/216062303.db2.gz IERZFDRJPOCSMH-MRXNPFEDSA-N 1 0 344.452 1.601 50 0 EDAARO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2ccccn2)CC1 ZINC000072274171 216098732 /nfs/dbraw/zinc/09/87/32/216098732.db2.gz KQNKEBZMJAGOGP-IRXDYDNUSA-N 1 0 345.491 1.782 50 0 EDAARO C[N@H+](CCNc1cc(N2CCC[C@@H]2CO)ncn1)Cc1ccccc1 ZINC000072276176 216101572 /nfs/dbraw/zinc/10/15/72/216101572.db2.gz PGGQZOAODFGIJL-QGZVFWFLSA-N 1 0 341.459 1.982 50 0 EDAARO COC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000106772738 219690762 /nfs/dbraw/zinc/69/07/62/219690762.db2.gz IJVSXVDNYQXMOE-CABCVRRESA-N 1 0 340.468 1.637 50 0 EDAARO C[C@H](C(=O)NCCNC(=O)c1ccco1)[N@H+](C)Cc1ccccc1 ZINC000072288308 216121560 /nfs/dbraw/zinc/12/15/60/216121560.db2.gz BHCRNJFRMHSUDO-CQSZACIVSA-N 1 0 329.400 1.646 50 0 EDAARO O=C(Cn1ccnc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072432460 216226409 /nfs/dbraw/zinc/22/64/09/216226409.db2.gz ILFFEBLKEXJYFI-UHFFFAOYSA-N 1 0 328.460 1.996 50 0 EDAARO Cc1nccn1CCCC(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000072478488 216257366 /nfs/dbraw/zinc/25/73/66/216257366.db2.gz ITMVTCUBOPRTSA-INIZCTEOSA-N 1 0 348.491 1.931 50 0 EDAARO [NH3+]Cc1cn(CC2CCN(C(=O)NCc3ccccc3F)CC2)nn1 ZINC000023128871 212352244 /nfs/dbraw/zinc/35/22/44/212352244.db2.gz NHNLASWGELQTCN-UHFFFAOYSA-N 1 0 346.410 1.498 50 0 EDAARO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000022934925 212338475 /nfs/dbraw/zinc/33/84/75/212338475.db2.gz HHADEPWSSVJWNL-CQSZACIVSA-N 1 0 339.867 1.861 50 0 EDAARO Cn1nc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1=O ZINC000022414135 212295566 /nfs/dbraw/zinc/29/55/66/212295566.db2.gz RRWBXFWXSXDECW-UHFFFAOYSA-N 1 0 332.448 1.699 50 0 EDAARO Cc1nc(C)c(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)o1 ZINC000215334815 241120208 /nfs/dbraw/zinc/12/02/08/241120208.db2.gz XGXYPJLXNLYUKD-UHFFFAOYSA-N 1 0 334.420 1.237 50 0 EDAARO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000229265161 242153882 /nfs/dbraw/zinc/15/38/82/242153882.db2.gz RZYGUKSKJSSEHR-SGMGOOAPSA-N 1 0 329.400 1.806 50 0 EDAARO CC[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000229378234 242158914 /nfs/dbraw/zinc/15/89/14/242158914.db2.gz YCBPESVSRSXLDH-SUYBPPKGSA-N 1 0 328.403 1.775 50 0 EDAARO Cc1nn(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(=O)c2ccccc12 ZINC000229384396 242160367 /nfs/dbraw/zinc/16/03/67/242160367.db2.gz CJCVENZHJDNNFR-IRXDYDNUSA-N 1 0 340.427 1.448 50 0 EDAARO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000229517480 242171559 /nfs/dbraw/zinc/17/15/59/242171559.db2.gz YNYIYYONWFXKMX-GOEBONIOSA-N 1 0 347.459 1.630 50 0 EDAARO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COCc2cccs2)C[C@@H]1C ZINC000229554237 242177984 /nfs/dbraw/zinc/17/79/84/242177984.db2.gz RTVRIDMAYUDNIG-SOUVJXGZSA-N 1 0 328.478 1.013 50 0 EDAARO O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238101672 242933192 /nfs/dbraw/zinc/93/31/92/242933192.db2.gz QQTPPTFWWOSBGY-LSDHHAIUSA-N 1 0 346.427 1.456 50 0 EDAARO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CCC[C@H](O)C1)CC2 ZINC000020941756 212192066 /nfs/dbraw/zinc/19/20/66/212192066.db2.gz UQOAJKPVZIDQIV-HNNXBMFYSA-N 1 0 334.416 1.045 50 0 EDAARO CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1C[N@H+](C)CCN1 ZINC000020917481 212188609 /nfs/dbraw/zinc/18/86/09/212188609.db2.gz KKGFYTFOCPYTEE-HNNXBMFYSA-N 1 0 330.457 1.672 50 0 EDAARO O=C(CSCC[NH+]1CCCC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000243892996 243031173 /nfs/dbraw/zinc/03/11/73/243031173.db2.gz ANICLNQQXDHPSD-HNNXBMFYSA-N 1 0 349.504 1.391 50 0 EDAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)Cn2cc(N)cn2)C1 ZINC000244874821 243095064 /nfs/dbraw/zinc/09/50/64/243095064.db2.gz XHSFMPNWZDIFFC-OAHLLOKOSA-N 1 0 327.432 1.412 50 0 EDAARO [NH3+][C@H]1C[C@H](c2cc(NCCSc3c[nH]nn3)nc(C3CC3)n2)C1 ZINC000244719190 243069462 /nfs/dbraw/zinc/06/94/62/243069462.db2.gz LYPIEJPGCPMLDQ-XYPYZODXSA-N 1 0 331.449 1.881 50 0 EDAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)c(=O)[nH]1 ZINC000253536190 244012187 /nfs/dbraw/zinc/01/21/87/244012187.db2.gz BFFMGFMEFQOKTL-MRXNPFEDSA-N 1 0 341.411 1.852 50 0 EDAARO O=C(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1ccc(=O)[nH]n1 ZINC000020454669 212131752 /nfs/dbraw/zinc/13/17/52/212131752.db2.gz UYXXDFDQEJCKCF-OAHLLOKOSA-N 1 0 338.411 1.544 50 0 EDAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000020205529 212112014 /nfs/dbraw/zinc/11/20/14/212112014.db2.gz BKJDLRMGELPLRO-ROUUACIJSA-N 1 0 333.407 1.493 50 0 EDAARO O[C@]1(C[NH+]2CCCCC2)CCN(c2nccc(C(F)(F)F)n2)C1 ZINC000077485933 216915826 /nfs/dbraw/zinc/91/58/26/216915826.db2.gz JXCBAJOYGFSRBR-AWEZNQCLSA-N 1 0 330.354 1.923 50 0 EDAARO COCC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000078602861 217084311 /nfs/dbraw/zinc/08/43/11/217084311.db2.gz UEOIMWGXZGHARE-MRXNPFEDSA-N 1 0 347.459 1.777 50 0 EDAARO CN(C)c1ncccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000078604785 217085944 /nfs/dbraw/zinc/08/59/44/217085944.db2.gz GWNZZYRONHYXNQ-HNNXBMFYSA-N 1 0 331.464 1.964 50 0 EDAARO CCN(C)S(=O)(=O)NCC[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067894785 284363885 /nfs/dbraw/zinc/36/38/85/284363885.db2.gz XILBEOUOLSXMSD-CQSZACIVSA-N 1 0 329.466 1.668 50 0 EDAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH+]1CCSCC1 ZINC000012430432 211378470 /nfs/dbraw/zinc/37/84/70/211378470.db2.gz DPRWSYSDVORTFF-KRWDZBQOSA-N 1 0 338.448 1.728 50 0 EDAARO CC[NH+]1CCN(CCNC(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000089977334 217901250 /nfs/dbraw/zinc/90/12/50/217901250.db2.gz BOHSGNHZXSIZKF-UHFFFAOYSA-N 1 0 346.479 1.441 50 0 EDAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]Cc1ccncc1 ZINC000012195693 211317643 /nfs/dbraw/zinc/31/76/43/211317643.db2.gz CTZGDRDHBCPNPP-IBGZPJMESA-N 1 0 343.402 1.864 50 0 EDAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000091305649 217991441 /nfs/dbraw/zinc/99/14/41/217991441.db2.gz VMWXXLUGXKIONE-MRXNPFEDSA-N 1 0 330.432 1.032 50 0 EDAARO Cc1cc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c(=O)[nH]c1C ZINC000091475118 218012241 /nfs/dbraw/zinc/01/22/41/218012241.db2.gz BCZXVCFRLSMXSQ-UHFFFAOYSA-N 1 0 326.400 1.271 50 0 EDAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1c(C)nn(C)c1C)C2 ZINC000091574756 218023342 /nfs/dbraw/zinc/02/33/42/218023342.db2.gz YRTMMZGURIUZFH-IAGOWNOFSA-N 1 0 348.491 1.539 50 0 EDAARO Cc1ccc([C@H]2CN(C(=O)c3nnc4n3CCCCC4)C[C@@H]2[NH3+])o1 ZINC000091691066 218048581 /nfs/dbraw/zinc/04/85/81/218048581.db2.gz JCUHJVSXIMEEMU-STQMWFEESA-N 1 0 329.404 1.473 50 0 EDAARO Cc1ccc([C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3C)C[C@@H]2[NH3+])o1 ZINC000091626012 218034836 /nfs/dbraw/zinc/03/48/36/218034836.db2.gz PJQYPLUNEUEGDS-STQMWFEESA-N 1 0 338.433 1.054 50 0 EDAARO CN1CCC[C@]2(CC[N@H+](CC(=O)NCCc3ccccc3)C2)C1=O ZINC000091676844 218045510 /nfs/dbraw/zinc/04/55/10/218045510.db2.gz CNKVDXAQKBZUQC-LJQANCHMSA-N 1 0 329.444 1.290 50 0 EDAARO CC(C)[C@H]1C[N@H+](Cc2cnc(N)nc2)C[C@@H]1NC(=O)CC(F)(F)F ZINC000092022804 218105651 /nfs/dbraw/zinc/10/56/51/218105651.db2.gz KNFZTWAIEAIKOW-NEPJUHHUSA-N 1 0 345.369 1.584 50 0 EDAARO Cn1c(C[NH+]2CCC(CCc3ccccc3)CC2)cc(=O)n(C)c1=O ZINC000011156066 211205941 /nfs/dbraw/zinc/20/59/41/211205941.db2.gz UMGGVCYXPZNEGB-UHFFFAOYSA-N 1 0 341.455 1.929 50 0 EDAARO O=C1N[C@@H](C[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)CO1 ZINC000408524685 250303482 /nfs/dbraw/zinc/30/34/82/250303482.db2.gz XMHRNNWPWDRXQQ-KBPBESRZSA-N 1 0 332.404 1.243 50 0 EDAARO CCc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)nc1 ZINC000095354980 218288452 /nfs/dbraw/zinc/28/84/52/218288452.db2.gz PQTIFDWUXOJZHQ-OAHLLOKOSA-N 1 0 332.448 1.013 50 0 EDAARO C[NH+](C)CCCn1ccnc1C1CCN(c2cc(N)nc(N)n2)CC1 ZINC000095352286 218285435 /nfs/dbraw/zinc/28/54/35/218285435.db2.gz HNFIEBNZQFDCDS-UHFFFAOYSA-N 1 0 344.467 1.173 50 0 EDAARO COc1ccc2c(c1)CCN(C(=O)CN(C)C1CC[NH+](C)CC1)CC2 ZINC000095360603 218293444 /nfs/dbraw/zinc/29/34/44/218293444.db2.gz YVOWUOGSZNKVEZ-UHFFFAOYSA-N 1 0 345.487 1.648 50 0 EDAARO CCCCSc1nc(N)cc(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)n1 ZINC000095359478 218293575 /nfs/dbraw/zinc/29/35/75/218293575.db2.gz CXKFKJMTDXCPSA-STQMWFEESA-N 1 0 337.493 1.596 50 0 EDAARO COCc1noc(CCNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000095361138 218294540 /nfs/dbraw/zinc/29/45/40/218294540.db2.gz XLXWDOUETDCNIA-ZDUSSCGKSA-N 1 0 336.436 1.529 50 0 EDAARO COC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000095360746 218294737 /nfs/dbraw/zinc/29/47/37/218294737.db2.gz UPGMHJGSHABJRT-AWEZNQCLSA-N 1 0 331.416 1.344 50 0 EDAARO C[NH+](C)CCN1C[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CC2)CC1=O ZINC000095364292 218296706 /nfs/dbraw/zinc/29/67/06/218296706.db2.gz AJFWVUJVNGZVOW-ZDUSSCGKSA-N 1 0 349.862 1.855 50 0 EDAARO [NH3+]CC1(NS(=O)(=O)c2ccccc2Br)CCCC1 ZINC000095394516 218326549 /nfs/dbraw/zinc/32/65/49/218326549.db2.gz SRWFJPRBXKKNNP-UHFFFAOYSA-N 1 0 333.251 1.999 50 0 EDAARO O=C(NCc1ccco1)C1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000095400871 218335559 /nfs/dbraw/zinc/33/55/59/218335559.db2.gz UFGPIFGWDNUBRD-KRWDZBQOSA-N 1 0 336.432 1.803 50 0 EDAARO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000095433023 218375790 /nfs/dbraw/zinc/37/57/90/218375790.db2.gz KNOTXXUQDMIODN-GFCCVEGCSA-N 1 0 346.518 1.770 50 0 EDAARO COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccn2c[nH+]cc2c1 ZINC000095438446 218382288 /nfs/dbraw/zinc/38/22/88/218382288.db2.gz QKYHEJUCTCGPPM-INIZCTEOSA-N 1 0 341.342 1.988 50 0 EDAARO NC(=O)C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)C1CCOCC1 ZINC000095452891 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COc1c[nH]c(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)cc1=O ZINC000426700115 257958094 /nfs/dbraw/zinc/95/80/94/257958094.db2.gz WVYZPPVURNEEBM-JTQLQIEISA-N 1 0 335.433 1.271 50 0 EDAARO Cc1cnccc1-c1cccc(C(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1 ZINC000426544780 257963920 /nfs/dbraw/zinc/96/39/20/257963920.db2.gz KQUXLROONJSLCU-SJORKVTESA-N 1 0 325.412 1.852 50 0 EDAARO O=C(NCCCn1ncc2ccccc21)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000426387052 257970001 /nfs/dbraw/zinc/97/00/01/257970001.db2.gz HQPPOMQRNPGQCZ-HOCLYGCPSA-N 1 0 327.432 1.820 50 0 EDAARO Cc1cc(C)nc(-n2cc(C(=O)N3CCC[NH2+]CC3)c(C(C)C)n2)n1 ZINC000236656748 258005418 /nfs/dbraw/zinc/00/54/18/258005418.db2.gz DVQFFXAKIYCUGX-UHFFFAOYSA-N 1 0 342.447 1.838 50 0 EDAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)nc3)CC2)nc(N)[nH+]1 ZINC000299773446 258085526 /nfs/dbraw/zinc/08/55/26/258085526.db2.gz BIKCXAOOWXJKIN-UHFFFAOYSA-N 1 0 331.355 1.255 50 0 EDAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)Nc2cccc(Cl)c2F)C1 ZINC000299775861 258086585 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Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000408041297 158248105 /nfs/dbraw/zinc/24/81/05/158248105.db2.gz GFUJXTSXNQAUSR-IAGOWNOFSA-N 1 0 346.475 1.975 50 0 EDAARO COCCc1cc(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)n(C)n1 ZINC000408473987 158372498 /nfs/dbraw/zinc/37/24/98/158372498.db2.gz XBJVXXITTQTWNQ-UKRRQHHQSA-N 1 0 343.431 1.715 50 0 EDAARO NC(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000032682848 274935290 /nfs/dbraw/zinc/93/52/90/274935290.db2.gz ZQBBCYKVYRWSQS-CABCVRRESA-N 1 0 348.447 1.714 50 0 EDAARO CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CCN(c2ccc(C)cc2)CC1 ZINC000220207955 275487867 /nfs/dbraw/zinc/48/78/67/275487867.db2.gz OZZBRZWKNVMERA-IYWMVGAKSA-N 1 0 343.471 1.845 50 0 EDAARO CC(C)c1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N)n1 ZINC000220237346 276045529 /nfs/dbraw/zinc/04/55/29/276045529.db2.gz PUQCIPNBAJRESJ-AWEZNQCLSA-N 1 0 347.463 1.555 50 0 EDAARO C[NH2+]CC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000193138606 277263907 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O=C(Cn1ccnn1)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000426381420 447430439 /nfs/dbraw/zinc/43/04/39/447430439.db2.gz IOCUDJNNVHDWQJ-QGZVFWFLSA-N 1 0 327.432 1.349 50 0 EDAARO O=C(CN1c2ccccc2OCCC1=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044942024 440917924 /nfs/dbraw/zinc/91/79/24/440917924.db2.gz BQOIJUJXIXORGX-HUUCEWRRSA-N 1 0 343.427 1.545 50 0 EDAARO Nc1nc(Cl)cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000044913867 440910358 /nfs/dbraw/zinc/91/03/58/440910358.db2.gz REZFQUKILVPYIW-CYBMUJFWSA-N 1 0 333.823 1.543 50 0 EDAARO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000044917158 440911225 /nfs/dbraw/zinc/91/12/25/440911225.db2.gz BSYRKTZTLFKEJS-GFCCVEGCSA-N 1 0 338.429 1.220 50 0 EDAARO O=C(NCCCC[NH+]1CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000044952670 440923738 /nfs/dbraw/zinc/92/37/38/440923738.db2.gz AYHHBBPKQCMBGO-UHFFFAOYSA-N 1 0 329.404 1.110 50 0 EDAARO O[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)COC[C@H]1CCCO1 ZINC000006083780 440979512 /nfs/dbraw/zinc/97/95/12/440979512.db2.gz 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Cc1ccc([C@H](CNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)[NH+](C)C)cc1 ZINC000058293658 441174661 /nfs/dbraw/zinc/17/46/61/441174661.db2.gz SYBXPMZLBMEYNU-XIRDDKMYSA-N 1 0 331.460 1.876 50 0 EDAARO CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000058357385 441185513 /nfs/dbraw/zinc/18/55/13/441185513.db2.gz PYVWSLHRKCKDCQ-CYBMUJFWSA-N 1 0 339.461 1.055 50 0 EDAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCOC ZINC000014745899 441187741 /nfs/dbraw/zinc/18/77/41/441187741.db2.gz ITYOCLOBWIKSQV-AWEZNQCLSA-N 1 0 325.453 1.939 50 0 EDAARO COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000071897053 441187993 /nfs/dbraw/zinc/18/79/93/441187993.db2.gz NFCVQYXHWSDXSW-ZFWWWQNUSA-N 1 0 333.432 1.035 50 0 EDAARO O=C([O-])[C@@H]1CN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000071775819 441153385 /nfs/dbraw/zinc/15/33/85/441153385.db2.gz RYJSOUMORRREMY-KRWDZBQOSA-N 1 0 345.443 1.174 50 0 EDAARO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(C(N)=O)CC2)c1 ZINC000071793355 441154235 /nfs/dbraw/zinc/15/42/35/441154235.db2.gz JBXPLZPYFQOVEW-KRWDZBQOSA-N 1 0 345.443 1.556 50 0 EDAARO CC1(C)CC(NS(=O)(=O)NCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000071776716 441154864 /nfs/dbraw/zinc/15/48/64/441154864.db2.gz UXWYQTTTXDJUFZ-UHFFFAOYSA-N 1 0 325.478 1.920 50 0 EDAARO COc1ccc(CC2CC[NH+](CC(=O)N3CCNC3=O)CC2)cc1 ZINC000058197203 441158409 /nfs/dbraw/zinc/15/84/09/441158409.db2.gz FUNXQJNNZYXXCF-UHFFFAOYSA-N 1 0 331.416 1.502 50 0 EDAARO COCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000058404985 441191285 /nfs/dbraw/zinc/19/12/85/441191285.db2.gz WNWNCYGSALLCHQ-OAHLLOKOSA-N 1 0 326.462 1.632 50 0 EDAARO CCc1ccccc1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000071907972 441192685 /nfs/dbraw/zinc/19/26/85/441192685.db2.gz ZOQHSPJZJIHKLO-UHFFFAOYSA-N 1 0 348.491 1.761 50 0 EDAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000058418973 441192752 /nfs/dbraw/zinc/19/27/52/441192752.db2.gz OOTMPJUSGWGFMC-UHFFFAOYSA-N 1 0 348.422 1.486 50 0 EDAARO CCOc1ccccc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000058418522 441192993 /nfs/dbraw/zinc/19/29/93/441192993.db2.gz AAPZDTGQSMPWMV-INIZCTEOSA-N 1 0 345.443 1.640 50 0 EDAARO Cn1c(CNC(=O)c2cccs2)nnc1SCC[NH+](C)C ZINC000014981212 441193231 /nfs/dbraw/zinc/19/32/31/441193231.db2.gz MINVLJUDALXVDS-UHFFFAOYSA-N 1 0 325.463 1.460 50 0 EDAARO Cc1ccc(-n2cnnn2)cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000071911757 441193988 /nfs/dbraw/zinc/19/39/88/441193988.db2.gz FVKXTZISPLUJRO-CQSZACIVSA-N 1 0 343.435 1.776 50 0 EDAARO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)CCc1ccccc1 ZINC000071914082 441194712 /nfs/dbraw/zinc/19/47/12/441194712.db2.gz XBMDWMRJLZAUMF-UHFFFAOYSA-N 1 0 339.505 1.128 50 0 EDAARO Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1 ZINC000071920434 441197154 /nfs/dbraw/zinc/19/71/54/441197154.db2.gz UTURINVBQZXNQX-UHFFFAOYSA-N 1 0 347.440 1.956 50 0 EDAARO CN1CCN(C(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)CC1 ZINC000072158815 441206413 /nfs/dbraw/zinc/20/64/13/441206413.db2.gz ISDIIVUJSWBYDI-UHFFFAOYSA-N 1 0 331.464 1.345 50 0 EDAARO CN1CCO[C@H](C[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000072254038 441209984 /nfs/dbraw/zinc/20/99/84/441209984.db2.gz LCCRUAIGTQBCRT-KGLIPLIRSA-N 1 0 329.238 1.403 50 0 EDAARO CN1CCO[C@@H](C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000072267863 441211770 /nfs/dbraw/zinc/21/17/70/441211770.db2.gz FIXDYPUPJZJRNR-SFHVURJKSA-N 1 0 343.427 1.630 50 0 EDAARO C[NH+]1CCN(c2cc(C(=O)NCCCCn3ccnc3)ccn2)CC1 ZINC000072281245 441219736 /nfs/dbraw/zinc/21/97/36/441219736.db2.gz QYTWYAHBTVOVHX-UHFFFAOYSA-N 1 0 342.447 1.240 50 0 EDAARO C[C@]1([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)NC(=O)NC1=O ZINC000072300687 441226791 /nfs/dbraw/zinc/22/67/91/441226791.db2.gz QYLWUIHGEVBSOO-QFBILLFUSA-N 1 0 327.428 1.985 50 0 EDAARO COc1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)[NH+]2CCCC2)cc1 ZINC000017911608 441245745 /nfs/dbraw/zinc/24/57/45/441245745.db2.gz GERUKASEVCJCJX-QGZVFWFLSA-N 1 0 341.411 1.950 50 0 EDAARO O=C(CCn1cnc2sccc2c1=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060573459 441252741 /nfs/dbraw/zinc/25/27/41/441252741.db2.gz FBQDPFRKEZJVPT-KBPBESRZSA-N 1 0 346.456 1.591 50 0 EDAARO CCC[NH+]1CCN(C(=O)CCN2c3ccccc3OCC2=O)CC1 ZINC000020687620 441266197 /nfs/dbraw/zinc/26/61/97/441266197.db2.gz GQOFBOWMXGTUOG-UHFFFAOYSA-N 1 0 331.416 1.356 50 0 EDAARO COCC[N@H+](Cc1ccn(C)c(=O)c1)Cc1cccc2c1OCO2 ZINC000048253570 441279570 /nfs/dbraw/zinc/27/95/70/441279570.db2.gz BQQXUHVOSIUKBJ-UHFFFAOYSA-N 1 0 330.384 1.763 50 0 EDAARO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000048290621 441288215 /nfs/dbraw/zinc/28/82/15/441288215.db2.gz LMMFGPRKQUHQKH-HNNXBMFYSA-N 1 0 333.480 1.924 50 0 EDAARO Cc1cccc(-n2cc(CN3CCN4CC[N@@H+](C)C[C@H]4C3)cn2)c1 ZINC000106251836 441330119 /nfs/dbraw/zinc/33/01/19/441330119.db2.gz NKSPHYXYIBCOTF-IBGZPJMESA-N 1 0 325.460 1.612 50 0 EDAARO O=C(C[N@@H+]1CCC[C@H](c2nccn2CC2CC2)C1)N1CCOCC1 ZINC000082127108 441335884 /nfs/dbraw/zinc/33/58/84/441335884.db2.gz RVAIXCIGBHEFIG-INIZCTEOSA-N 1 0 332.448 1.331 50 0 EDAARO O=C(CCc1cn2ccccc2n1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082121073 441335968 /nfs/dbraw/zinc/33/59/68/441335968.db2.gz GXJUVZOOCMFLGB-UHFFFAOYSA-N 1 0 338.415 1.273 50 0 EDAARO CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000082134448 441336945 /nfs/dbraw/zinc/33/69/45/441336945.db2.gz SLSAARCJPHMWGX-UHFFFAOYSA-N 1 0 348.495 1.161 50 0 EDAARO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000024682826 441317040 /nfs/dbraw/zinc/31/70/40/441317040.db2.gz GGMMBJNFINKZCO-UHFFFAOYSA-N 1 0 340.445 1.612 50 0 EDAARO CCOc1ccc(N2C(=O)C[C@@H](N3CCC[N@H+](C)CC3)C2=O)cc1 ZINC000105928049 441317877 /nfs/dbraw/zinc/31/78/77/441317877.db2.gz GJCDRZUXPDJZKO-MRXNPFEDSA-N 1 0 331.416 1.355 50 0 EDAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cnc3ccccc3c1=O)C2 ZINC000073990460 441379519 /nfs/dbraw/zinc/37/95/19/441379519.db2.gz QKUXCMIVOMLVJX-UONOGXRCSA-N 1 0 326.400 1.092 50 0 EDAARO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000084169804 441384920 /nfs/dbraw/zinc/38/49/20/441384920.db2.gz WCFVDQVOYDZYTJ-HNNXBMFYSA-N 1 0 332.510 1.939 50 0 EDAARO CC(C)[N@H+](CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C1CC1 ZINC000106653793 441362189 /nfs/dbraw/zinc/36/21/89/441362189.db2.gz ZPHRUARKBVVKRV-HZPDHXFCSA-N 1 0 349.475 1.541 50 0 EDAARO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000106784331 441370488 /nfs/dbraw/zinc/37/04/88/441370488.db2.gz UYYYBCIQZZVRSA-BRWVUGGUSA-N 1 0 332.448 1.518 50 0 EDAARO CC(=O)Nc1cc(C2=CCC[N@@H+](C[C@@H](C)N3CCOCC3)C2)nn1C ZINC000065376564 441421088 /nfs/dbraw/zinc/42/10/88/441421088.db2.gz BOMBBTKLJAHBQU-CQSZACIVSA-N 1 0 347.463 1.188 50 0 EDAARO COCC[C@H]1CN(c2ncnc3sc4c(c32)CC[NH2+]C4)CCO1 ZINC000065395795 441424365 /nfs/dbraw/zinc/42/43/65/441424365.db2.gz YUBCMWFXMIZYGX-NSHDSACASA-N 1 0 334.445 1.579 50 0 EDAARO CC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)C1 ZINC000065423851 441431199 /nfs/dbraw/zinc/43/11/99/441431199.db2.gz UGYOAOHMAQHSDH-STQMWFEESA-N 1 0 330.432 1.883 50 0 EDAARO Cc1nn(C)c(Cl)c1CNCc1cccnc1N1CC[NH+](C)CC1 ZINC000065465651 441440611 /nfs/dbraw/zinc/44/06/11/441440611.db2.gz HDQDGKMWTJOBHL-UHFFFAOYSA-N 1 0 348.882 1.819 50 0 EDAARO O=C(CCn1cnc2sccc2c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000029094517 441445796 /nfs/dbraw/zinc/44/57/96/441445796.db2.gz BDACDSZEKHSTDK-UHFFFAOYSA-N 1 0 346.456 1.591 50 0 EDAARO C[NH+]1CCC2(CCN(c3ncc(F)c(N4CCOCC4)n3)C2)CC1 ZINC000065496250 441446128 /nfs/dbraw/zinc/44/61/28/441446128.db2.gz RBOSWVNAOXDMAX-UHFFFAOYSA-N 1 0 335.427 1.374 50 0 EDAARO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000065623254 441473099 /nfs/dbraw/zinc/47/30/99/441473099.db2.gz UMXRHBFBKQKRHP-LJQANCHMSA-N 1 0 343.471 1.947 50 0 EDAARO CCOCCC1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085819866 441451163 /nfs/dbraw/zinc/45/11/63/441451163.db2.gz MRXLNAIBUUZTHL-INIZCTEOSA-N 1 0 332.510 1.797 50 0 EDAARO Cc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCN(C)C3=O)CC2)cc1 ZINC000075131504 441499566 /nfs/dbraw/zinc/49/95/66/441499566.db2.gz CFNVFVPUHSXFMO-QGZVFWFLSA-N 1 0 347.459 1.567 50 0 EDAARO CCC[NH+]1CCC(CNC(=O)c2sccc2-n2cnnn2)CC1 ZINC000065587236 441464726 /nfs/dbraw/zinc/46/47/26/441464726.db2.gz WDSHUUXYUIQIOW-UHFFFAOYSA-N 1 0 334.449 1.576 50 0 EDAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cnccn1 ZINC000031240801 441517695 /nfs/dbraw/zinc/51/76/95/441517695.db2.gz NDCLJLVAZSGRDJ-UHFFFAOYSA-N 1 0 325.416 1.419 50 0 EDAARO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2cccnc2)cc1 ZINC000089363690 441541487 /nfs/dbraw/zinc/54/14/87/441541487.db2.gz FBSLRIIQXFSZEC-MRXNPFEDSA-N 1 0 330.384 1.740 50 0 EDAARO C[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000032731110 441567980 /nfs/dbraw/zinc/56/79/80/441567980.db2.gz GEWDCEMDXZXOIJ-KBPBESRZSA-N 1 0 332.448 1.848 50 0 EDAARO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC2(CC1)OCCO2 ZINC000032825311 441574690 /nfs/dbraw/zinc/57/46/90/441574690.db2.gz ACISXOYTMSPLDW-UHFFFAOYSA-N 1 0 339.417 1.015 50 0 EDAARO CC[N@H+](C)[C@H](C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000076046691 441582903 /nfs/dbraw/zinc/58/29/03/441582903.db2.gz BNHFAIVKDDHYRC-HOTGVXAUSA-N 1 0 343.431 1.706 50 0 EDAARO CCc1cnc(CN(C)[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)o1 ZINC000076047792 441584908 /nfs/dbraw/zinc/58/49/08/441584908.db2.gz HBGBKUDDGLRFCX-CABCVRRESA-N 1 0 333.436 1.001 50 0 EDAARO COc1ccc(F)cc1C[N@H+]1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000076055782 441588669 /nfs/dbraw/zinc/58/86/69/441588669.db2.gz UBDIFEDVGZYHBE-KSSFIOAISA-N 1 0 349.450 1.819 50 0 EDAARO CC(C)Cc1nnc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)o1 ZINC000076057103 441589700 /nfs/dbraw/zinc/58/97/00/441589700.db2.gz AMILEJREWCWSNW-AVGNSLFASA-N 1 0 344.481 1.589 50 0 EDAARO COc1ccc([C@@H](CNC(=O)N[C@H](C)Cn2cccn2)[NH+](C)C)cc1 ZINC000089904368 441592411 /nfs/dbraw/zinc/59/24/11/441592411.db2.gz GYDTUFJTAJJEMD-RHSMWYFYSA-N 1 0 345.447 1.882 50 0 EDAARO CN1C(=O)N[C@](C)([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)C1=O ZINC000089914251 441594483 /nfs/dbraw/zinc/59/44/83/441594483.db2.gz WZXUVDMZPNJBQG-FZKQIMNGSA-N 1 0 349.406 1.857 50 0 EDAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000076087032 441594770 /nfs/dbraw/zinc/59/47/70/441594770.db2.gz QXLRBCDWFSTEMB-QZTJIDSGSA-N 1 0 330.476 1.506 50 0 EDAARO CCn1ccnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1=O ZINC000091012010 441649392 /nfs/dbraw/zinc/64/93/92/441649392.db2.gz RNJDHCBZZDZXQC-NSHDSACASA-N 1 0 346.460 1.808 50 0 EDAARO COc1ccccc1C[NH2+]CCn1c(=O)[nH]c2ccccc2c1=O ZINC000091296966 441694125 /nfs/dbraw/zinc/69/41/25/441694125.db2.gz NUAJBITWGGTZCM-UHFFFAOYSA-N 1 0 325.368 1.488 50 0 in-vitro EDAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000136663984 441712220 /nfs/dbraw/zinc/71/22/20/441712220.db2.gz YANLIXASJBMWNW-UKRRQHHQSA-N 1 0 326.462 1.584 50 0 EDAARO C[NH+]1CCC(Cc2noc(-c3ccc(Cn4cnnn4)cc3)n2)CC1 ZINC000067724321 441673360 /nfs/dbraw/zinc/67/33/60/441673360.db2.gz RJENJBQXAMXSEF-UHFFFAOYSA-N 1 0 339.403 1.656 50 0 EDAARO CC[NH+]1CCC(CNC(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000057000830 441768781 /nfs/dbraw/zinc/76/87/81/441768781.db2.gz GRTCNDKJWQJJPR-UHFFFAOYSA-N 1 0 327.432 1.788 50 0 EDAARO [NH3+]CCn1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)nn1 ZINC000077339949 441757904 /nfs/dbraw/zinc/75/79/04/441757904.db2.gz NNFFENUZJLGUQD-ZFWWWQNUSA-N 1 0 331.395 1.517 50 0 EDAARO COCCC[C@@]1(CO)CCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000092020654 441763050 /nfs/dbraw/zinc/76/30/50/441763050.db2.gz RSTQKKNNRJAYLE-SFHVURJKSA-N 1 0 326.481 1.890 50 0 EDAARO O=C(c1cccn1C1CC1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000092081081 441771595 /nfs/dbraw/zinc/77/15/95/441771595.db2.gz QJZOGRIJQZQWLF-HZPDHXFCSA-N 1 0 331.460 1.989 50 0 EDAARO CCCc1cc(C(=O)N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n(C)n1 ZINC000077408422 441776122 /nfs/dbraw/zinc/77/61/22/441776122.db2.gz WWAOCBQWGIMZGA-RDJZCZTQSA-N 1 0 334.464 1.434 50 0 EDAARO Cc1nn(CC(=O)NCC2([NH+](C)C)CCCC2)c(=O)c2ccccc12 ZINC000042766161 441784911 /nfs/dbraw/zinc/78/49/11/441784911.db2.gz HDEYZIMNNGWSDC-UHFFFAOYSA-N 1 0 342.443 1.696 50 0 EDAARO 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1.893 50 0 EDAARO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1cccc(-n2cccn2)c1 ZINC000244708078 243064291 /nfs/dbraw/zinc/06/42/91/243064291.db2.gz KNBFPZYRXHBHEI-INIZCTEOSA-N 1 0 342.443 1.799 50 0 EDAARO COCCn1c(Cn2cnc(C(C)(C)C)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244774033 243078285 /nfs/dbraw/zinc/07/82/85/243078285.db2.gz PMVFMXLSKVXLCI-BETUJISGSA-N 1 0 332.452 1.672 50 0 EDAARO CCC[N@H+](Cc1cc(=O)n2cccc(O)c2n1)[C@@H]1CCCC[C@H]1O ZINC000244723530 243069411 /nfs/dbraw/zinc/06/94/11/243069411.db2.gz MDHKHVOJHNNHTG-HUUCEWRRSA-N 1 0 331.416 1.916 50 0 EDAARO CSc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)cc1 ZINC000020454394 212131560 /nfs/dbraw/zinc/13/15/60/212131560.db2.gz BCBCLUGTYIDYTA-QZTJIDSGSA-N 1 0 335.517 1.591 50 0 EDAARO COc1ccc(N2C(=S)N=NC2CCN2CC[NH+](C)CC2)cc1 ZINC000019535995 212039463 /nfs/dbraw/zinc/03/94/63/212039463.db2.gz BIJAFDCXRNWCLP-UHFFFAOYSA-N 1 0 333.461 1.355 50 0 EDAARO Cc1ccccc1CN(C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000078518521 217066870 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O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H](O)Cc1ccccc1 ZINC000089830124 217855511 /nfs/dbraw/zinc/85/55/11/217855511.db2.gz FMNGAAYZXBABBB-GOSISDBHSA-N 1 0 346.471 1.741 50 0 EDAARO COc1cc(/C=C2\SC(=O)N(CC[NH3+])C2=O)cc(OC)c1OC ZINC000012563011 211412277 /nfs/dbraw/zinc/41/22/77/211412277.db2.gz XQYKSNBUAJLARQ-WQLSENKSSA-N 1 0 338.385 1.707 50 0 EDAARO COc1ccc(-c2noc(C(=O)NCCC[NH+](C)C)n2)cc1OC ZINC000012390328 211366590 /nfs/dbraw/zinc/36/65/90/211366590.db2.gz LNAAXHXWZOXIAP-UHFFFAOYSA-N 1 0 334.376 1.435 50 0 EDAARO CN1CCC[C@](O)(C[NH+]2CCC(Oc3ccccc3F)CC2)C1=O ZINC000011998995 211277704 /nfs/dbraw/zinc/27/77/04/211277704.db2.gz WLFTVPWYDISILE-SFHVURJKSA-N 1 0 336.407 1.652 50 0 EDAARO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091547209 218020474 /nfs/dbraw/zinc/02/04/74/218020474.db2.gz YEDSPCBCEHGKOY-WFASDCNBSA-N 1 0 344.864 1.383 50 0 EDAARO O=C(c1cc(C2CC2)on1)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091603521 218030181 /nfs/dbraw/zinc/03/01/81/218030181.db2.gz 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ZINC000092061753 218112125 /nfs/dbraw/zinc/11/21/25/218112125.db2.gz RTUMHEYPHXPLFM-UHFFFAOYSA-N 1 0 335.473 1.645 50 0 EDAARO Cc1ccc(N([C@H](C)C(=O)NCCC[NH+](C)C)S(C)(=O)=O)cc1 ZINC000010111439 211148595 /nfs/dbraw/zinc/14/85/95/211148595.db2.gz KSJWCVOBEZWEBS-CQSZACIVSA-N 1 0 341.477 1.217 50 0 EDAARO COc1ccc([C@H](CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)NC(C)=O)cc1 ZINC000408519152 250300323 /nfs/dbraw/zinc/30/03/23/250300323.db2.gz HVKQRKOCXCKPPV-VMGRFDJRSA-N 1 0 333.432 1.601 50 0 EDAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)C1 ZINC000408525502 250303572 /nfs/dbraw/zinc/30/35/72/250303572.db2.gz LGHSTKNAVJMMCC-ZYHUDNBSSA-N 1 0 343.431 1.751 50 0 EDAARO O=C(C1CCC1)N1CC[C@]2(O)CC[N@@H+](Cc3cncs3)C[C@@H]2C1 ZINC000095357711 218291810 /nfs/dbraw/zinc/29/18/10/218291810.db2.gz GHOUEOQEIAVKNJ-RHSMWYFYSA-N 1 0 335.473 1.729 50 0 EDAARO CCc1cc(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)ncn1 ZINC000095366294 218298914 /nfs/dbraw/zinc/29/89/14/218298914.db2.gz NTSRUEIHWSNJQC-QGZVFWFLSA-N 1 0 345.491 1.952 50 0 EDAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)N3CCSCC3)C2)cn1 ZINC000095381904 218314435 /nfs/dbraw/zinc/31/44/35/218314435.db2.gz XDJQQCVVUFVLOB-UONOGXRCSA-N 1 0 348.472 1.130 50 0 EDAARO Cc1nc(SCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)n[nH]1 ZINC000095384018 218315318 /nfs/dbraw/zinc/31/53/18/218315318.db2.gz QZKXJFBOACWMPD-HUUCEWRRSA-N 1 0 349.504 1.928 50 0 EDAARO Nc1nnc(CCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)s1 ZINC000095386526 218317962 /nfs/dbraw/zinc/31/79/62/218317962.db2.gz MQIKVHIAVPJDIR-AWEZNQCLSA-N 1 0 345.472 1.950 50 0 EDAARO C[C@H](CC[NH+]1CCCC1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000095400527 218334395 /nfs/dbraw/zinc/33/43/95/218334395.db2.gz YAYRMASEPJERDX-MJGOQNOKSA-N 1 0 345.487 1.878 50 0 EDAARO CS[C@@H]1CN([C@@H](C)C(=O)NCCc2cccs2)C[C@@H]1[NH+](C)C ZINC000095446849 218391359 /nfs/dbraw/zinc/39/13/59/218391359.db2.gz XAAGIASPXRRHBJ-AEGPPILISA-N 1 0 341.546 1.773 50 0 EDAARO COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000075582016 285016214 /nfs/dbraw/zinc/01/62/14/285016214.db2.gz BQYCRILNXNLZEA-QZTJIDSGSA-N 1 0 332.444 1.979 50 0 EDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000005069565 210383497 /nfs/dbraw/zinc/38/34/97/210383497.db2.gz FKSRXOUJSKNUNR-XJKSGUPXSA-N 1 0 331.416 1.767 50 0 aggregator EDAARO Cc1nc(N(C)C)ncc1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000097323960 219012204 /nfs/dbraw/zinc/01/22/04/219012204.db2.gz FSDQBVRTCVHTMO-UHFFFAOYSA-N 1 0 349.504 1.504 50 0 EDAARO Cc1noc(CCNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000097378866 219020207 /nfs/dbraw/zinc/02/02/07/219020207.db2.gz AAJMVVGOXDKONI-BBRMVZONSA-N 1 0 343.431 1.740 50 0 EDAARO CSCC(=O)N1CCC2(CC1)CC[N@H+](CC1CC1)C[C@H]2CO ZINC000097574891 219036371 /nfs/dbraw/zinc/03/63/71/219036371.db2.gz WKIIQALCCDPXEE-HNNXBMFYSA-N 1 0 326.506 1.682 50 0 EDAARO O=C1Nc2ccccc2[C@@]12[NH2+]C[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000005016355 296402002 /nfs/dbraw/zinc/40/20/02/296402002.db2.gz KKIBCQXTEQOHOA-YFROIQMUSA-N 1 0 339.395 1.371 50 0 EDAARO O=C(Cc1cc(F)c(F)cc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000177973932 257954015 /nfs/dbraw/zinc/95/40/15/257954015.db2.gz ZWRXDKTVCMTPGX-GFCCVEGCSA-N 1 0 342.361 1.827 50 0 EDAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(C)cc(OC)cc2C)C1 ZINC000299744250 257932797 /nfs/dbraw/zinc/93/27/97/257932797.db2.gz RIMXTEHCHXEQSN-CQSZACIVSA-N 1 0 326.462 1.932 50 0 EDAARO COc1cc(C[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)ccc1C ZINC000237432411 258005546 /nfs/dbraw/zinc/00/55/46/258005546.db2.gz GYJGKXXSGJNAJW-HNNXBMFYSA-N 1 0 328.416 1.941 50 0 EDAARO COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]([NH3+])C3)CC2=O)cc1OC ZINC000299740503 258009685 /nfs/dbraw/zinc/00/96/85/258009685.db2.gz BEIBDJAVCXPBTK-CHWSQXEVSA-N 1 0 347.415 1.006 50 0 EDAARO CN(C(=O)c1cc(Cn2ccc(C(F)(F)F)n2)on1)[C@@H]1CC[NH2+]C1 ZINC000299738742 258010373 /nfs/dbraw/zinc/01/03/73/258010373.db2.gz FTRJMRLFIFYDSS-SECBINFHSA-N 1 0 343.309 1.372 50 0 EDAARO O=C(Nc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299798825 258102506 /nfs/dbraw/zinc/10/25/06/258102506.db2.gz VYHPSHXXZFCXSZ-MRXNPFEDSA-N 1 0 331.416 1.385 50 0 EDAARO C[N@@H+]1CCOC[C@H](CNC(=O)Nc2ccccc2-n2cccn2)C1 ZINC000299755244 258074335 /nfs/dbraw/zinc/07/43/35/258074335.db2.gz CATYCNTXQBPTAH-CQSZACIVSA-N 1 0 329.404 1.572 50 0 EDAARO COC(=O)[C@H]1CC(=O)N(OCc2cccc(OC)c2)C12CC[NH2+]CC2 ZINC000299756376 258074727 /nfs/dbraw/zinc/07/47/27/258074727.db2.gz HCVFXLVASDOGFZ-OAHLLOKOSA-N 1 0 348.399 1.271 50 0 EDAARO CSc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000332303248 141158959 /nfs/dbraw/zinc/15/89/59/141158959.db2.gz LXMZZYHQJDYEJF-HNNXBMFYSA-N 1 0 347.484 1.833 50 0 EDAARO CSc1ncccc1C(=O)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077539648 286735520 /nfs/dbraw/zinc/73/55/20/286735520.db2.gz WJFOYNAOHFJTQZ-QGZVFWFLSA-N 1 0 335.473 1.866 50 0 EDAARO Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cccc1N1CCNC1=O ZINC000158375026 225000455 /nfs/dbraw/zinc/00/04/55/225000455.db2.gz KIUCHCMIALGTFP-HIFRSBDPSA-N 1 0 330.432 1.772 50 0 EDAARO O=C(/C=C/c1ccccc1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000122031535 222000216 /nfs/dbraw/zinc/00/02/16/222000216.db2.gz FKGZOYWSBOCXNQ-WFJXPABVSA-N 1 0 341.455 1.807 50 0 EDAARO CC(C)(C)c1ncc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)s1 ZINC000330557092 275851069 /nfs/dbraw/zinc/85/10/69/275851069.db2.gz ZZBOGFLQLXCJIA-UHFFFAOYSA-N 1 0 332.491 1.470 50 0 EDAARO CC[NH+](CC)CCNC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000011691366 276099302 /nfs/dbraw/zinc/09/93/02/276099302.db2.gz LWWUXWFTSKGXNP-UHFFFAOYSA-N 1 0 341.415 1.258 50 0 EDAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000089949103 276487286 /nfs/dbraw/zinc/48/72/86/276487286.db2.gz QJUPUMFYTNMQSO-IAGOWNOFSA-N 1 0 331.464 1.813 50 0 EDAARO CN1CC23CN(C(=O)C[C@@H]4CCc5ccccc54)CC2(C1)C[NH+](C)C3 ZINC000091468944 277022958 /nfs/dbraw/zinc/02/29/58/277022958.db2.gz YZEBYJDEIAHGLM-RPCJCACASA-N 1 0 339.483 1.812 50 0 EDAARO COc1cn(-c2ccccc2)nc1C(=O)NC[C@H](C1CC1)[NH+](C)C 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441096523 /nfs/dbraw/zinc/09/65/23/441096523.db2.gz LZVKHYDELRRBQA-KBPBESRZSA-N 1 0 337.445 1.905 50 0 EDAARO COc1cc2nc(CN3CC[NH+](C4CC4)CC3)[nH]c(=O)c2cc1OC ZINC000071836943 441165413 /nfs/dbraw/zinc/16/54/13/441165413.db2.gz ZSVFAKLXDDGZRA-UHFFFAOYSA-N 1 0 344.415 1.220 50 0 EDAARO CCc1nnsc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000071843709 441167625 /nfs/dbraw/zinc/16/76/25/441167625.db2.gz WDPHJHRGDIJZSW-UHFFFAOYSA-N 1 0 325.482 1.104 50 0 EDAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(N(C)C)nc2)CC1 ZINC000071841811 441168025 /nfs/dbraw/zinc/16/80/25/441168025.db2.gz GYVDJXIKLZYCOB-HNNXBMFYSA-N 1 0 333.480 1.151 50 0 EDAARO O=C(C[NH2+]C[C@@H]1CCCN1c1cccnn1)NCCc1ccccc1 ZINC000071859848 441171761 /nfs/dbraw/zinc/17/17/61/441171761.db2.gz RXEYGPYAKXWHIC-KRWDZBQOSA-N 1 0 339.443 1.394 50 0 EDAARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@@H]1C ZINC000071864377 441173742 /nfs/dbraw/zinc/17/37/42/441173742.db2.gz VJOPOPWCDPIDPF-QWHCGFSZSA-N 1 0 338.452 1.298 50 0 EDAARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(Cl)cc2)C[C@@H]1C ZINC000071864215 441173935 /nfs/dbraw/zinc/17/39/35/441173935.db2.gz SVICYFUOXIEJFC-UONOGXRCSA-N 1 0 339.867 1.343 50 0 EDAARO O=C(C[NH2+][C@H]1CCc2ncnn2C1)N1CCC[C@H]1c1cccs1 ZINC000071871723 441177583 /nfs/dbraw/zinc/17/75/83/441177583.db2.gz ZNGUROHSRCSPJZ-STQMWFEESA-N 1 0 331.445 1.608 50 0 EDAARO Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CNc3c(C(N)=O)cnn3C2)s1 ZINC000071888685 441185763 /nfs/dbraw/zinc/18/57/63/441185763.db2.gz XCAWPBFAQLEKOK-KWQFWETISA-N 1 0 334.449 1.448 50 0 EDAARO COc1c(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)c(C)nn1C ZINC000058404205 441191093 /nfs/dbraw/zinc/19/10/93/441191093.db2.gz DJDUUXANCUOLSI-UHFFFAOYSA-N 1 0 344.459 1.859 50 0 EDAARO CO[C@H]1CN(C(=O)c2cnc(C)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000071747090 441149716 /nfs/dbraw/zinc/14/97/16/441149716.db2.gz CSRXPDYXIACOSW-CVEARBPZSA-N 1 0 326.400 1.640 50 0 EDAARO CS(=O)(=O)c1cnc(NCc2ccncc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071748903 441151151 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C[C@H](C(=O)N1CCOCC1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826438 441357369 /nfs/dbraw/zinc/35/73/69/441357369.db2.gz HGKYWPAMBOVVGS-OAHLLOKOSA-N 1 0 345.443 1.128 50 0 EDAARO OCCc1cn(C[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)nn1 ZINC000063846450 441357509 /nfs/dbraw/zinc/35/75/09/441357509.db2.gz FZGRQCYIQDWESD-CQSZACIVSA-N 1 0 342.403 1.261 50 0 EDAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)n1 ZINC000106783248 441370573 /nfs/dbraw/zinc/37/05/73/441370573.db2.gz MQJSMHGLJJXUCH-DOTOQJQBSA-N 1 0 327.432 1.834 50 0 EDAARO O=C(CCNC(=O)NC1CC[NH+](C2CC2)CC1)NCc1ccccc1 ZINC000084539092 441406611 /nfs/dbraw/zinc/40/66/11/441406611.db2.gz KJMIGLOXFMWGJI-UHFFFAOYSA-N 1 0 344.459 1.619 50 0 EDAARO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)cc1 ZINC000065260922 441411605 /nfs/dbraw/zinc/41/16/05/441411605.db2.gz FZIAGIYNSXPBBQ-QGZVFWFLSA-N 1 0 341.455 1.847 50 0 EDAARO CNC(=O)C1CC[NH+]([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000029165669 441448659 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CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)COC)cn2)CC1 ZINC000065447304 441436424 /nfs/dbraw/zinc/43/64/24/441436424.db2.gz GTNZIQJKPLAQLW-HNNXBMFYSA-N 1 0 349.479 1.400 50 0 EDAARO O=C(NCc1ccco1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000108118871 441436830 /nfs/dbraw/zinc/43/68/30/441436830.db2.gz IFCQGEQYQHTDKQ-AEFFLSMTSA-N 1 0 343.427 1.962 50 0 EDAARO Oc1ccccc1N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000084506010 441404745 /nfs/dbraw/zinc/40/47/45/441404745.db2.gz PYAWSBHCNVILSE-HOTGVXAUSA-N 1 0 336.432 1.071 50 0 EDAARO CC[NH+]1CCC(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)CC1 ZINC000030028181 441483547 /nfs/dbraw/zinc/48/35/47/441483547.db2.gz VVFWSFRYBTZOBE-UHFFFAOYSA-N 1 0 332.383 1.080 50 0 EDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1cccnc1-n1cncn1 ZINC000065531155 441453121 /nfs/dbraw/zinc/45/31/21/441453121.db2.gz UJAHVVSKROWIBT-UHFFFAOYSA-N 1 0 326.408 1.060 50 0 EDAARO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000110704437 441522799 /nfs/dbraw/zinc/52/27/99/441522799.db2.gz 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CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000014092934 211679868 /nfs/dbraw/zinc/67/98/68/211679868.db2.gz DNJUHANCPAMJQM-ZDUSSCGKSA-N 1 0 328.416 1.456 50 0 EDAARO C[NH+](C)CCN1C[C@@H](C(=O)NCCCCc2ccccn2)CCC1=O ZINC000011873950 211262847 /nfs/dbraw/zinc/26/28/47/211262847.db2.gz VSZMMZMCHUJBBY-INIZCTEOSA-N 1 0 346.475 1.321 50 0 EDAARO O=C1CCCN1CCCn1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091604775 218031391 /nfs/dbraw/zinc/03/13/91/218031391.db2.gz JGIUGRWFJFIUAR-UHFFFAOYSA-N 1 0 343.435 1.079 50 0 EDAARO Cn1cnc(S(=O)(=O)N[C@H]2C[N@H+](CC3CCC3)C[C@@H]2C2CC2)c1 ZINC000091664213 218043384 /nfs/dbraw/zinc/04/33/84/218043384.db2.gz AWLICXUWZWINMI-CABCVRRESA-N 1 0 338.477 1.209 50 0 EDAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(CCN2CCCC2=O)CC1 ZINC000091745484 218057319 /nfs/dbraw/zinc/05/73/19/218057319.db2.gz IMLWGFLVFUGKBI-GOSISDBHSA-N 1 0 343.471 1.808 50 0 EDAARO OC[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](CCCc2ccccc2)C1 ZINC000091848728 218077638 /nfs/dbraw/zinc/07/76/38/218077638.db2.gz RWXVWIATDPGTDV-WOJBJXKFSA-N 1 0 332.488 1.882 50 0 EDAARO Cc1ccc([C@H]2CN(C(=O)c3cn(-c4ccccc4)nn3)C[C@@H]2[NH3+])o1 ZINC000091859618 218078516 /nfs/dbraw/zinc/07/85/16/218078516.db2.gz WMGCJWUZLYRGNW-GJZGRUSLSA-N 1 0 337.383 1.736 50 0 EDAARO O=C(N[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1C1CC1)C1CCOCC1 ZINC000091952240 218095208 /nfs/dbraw/zinc/09/52/08/218095208.db2.gz LINGTNKXPSHDDG-MSOLQXFVSA-N 1 0 329.444 1.835 50 0 EDAARO O=C1NCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000408524821 250303836 /nfs/dbraw/zinc/30/38/36/250303836.db2.gz ZOTKYCBVNZVQOO-HZPDHXFCSA-N 1 0 344.459 1.661 50 0 EDAARO CCn1nccc1C(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095374811 218307763 /nfs/dbraw/zinc/30/77/63/218307763.db2.gz LPBGDTDOJFTFNN-HNNXBMFYSA-N 1 0 344.463 1.681 50 0 EDAARO C[N@@H+]1CCN(C(=O)NCCc2ccccc2)C[C@]12CCNC(=O)CC2 ZINC000095376567 218309307 /nfs/dbraw/zinc/30/93/07/218309307.db2.gz DTMARDKJCGRIFZ-IBGZPJMESA-N 1 0 344.459 1.225 50 0 EDAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC000095391219 218322608 /nfs/dbraw/zinc/32/26/08/218322608.db2.gz VHCOOEFAVWLRGI-QGZVFWFLSA-N 1 0 341.459 1.788 50 0 EDAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2nc(CO)cs2)C1 ZINC000095392252 218323301 /nfs/dbraw/zinc/32/33/01/218323301.db2.gz KZFLNXSAMHLMEA-CYBMUJFWSA-N 1 0 335.477 1.778 50 0 EDAARO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](CCOCc1ccccc1)C2 ZINC000095385078 218316927 /nfs/dbraw/zinc/31/69/27/218316927.db2.gz RECASMHEFZIGEN-IAGOWNOFSA-N 1 0 338.473 1.559 50 0 EDAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCCN(c3ncccn3)CC2)C1 ZINC000095384669 218317030 /nfs/dbraw/zinc/31/70/30/218317030.db2.gz ICLFKTZEJAALED-MRXNPFEDSA-N 1 0 331.464 1.636 50 0 EDAARO Cc1nccn1CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095385494 218317441 /nfs/dbraw/zinc/31/74/41/218317441.db2.gz NXYXXTMNJVJTKA-INIZCTEOSA-N 1 0 334.464 1.541 50 0 EDAARO Cn1cc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cn1 ZINC000095428917 218371840 /nfs/dbraw/zinc/37/18/40/218371840.db2.gz PQJLFERJXSSEMG-UHFFFAOYSA-N 1 0 341.459 1.772 50 0 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CC1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000046956492 441141674 /nfs/dbraw/zinc/14/16/74/441141674.db2.gz AXWOJNQGOFRQON-HNNXBMFYSA-N 1 0 333.432 1.476 50 0 EDAARO COC(=O)c1cc(C[N@H+](C)C[C@H](O)COCc2ccco2)oc1C ZINC000057981060 441147034 /nfs/dbraw/zinc/14/70/34/441147034.db2.gz QABDASKWJZLXHQ-ZDUSSCGKSA-N 1 0 337.372 1.977 50 0 EDAARO O=C1CCCCCN1CC[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000071834602 441164265 /nfs/dbraw/zinc/16/42/65/441164265.db2.gz UOWAIPGWXBKYJS-UHFFFAOYSA-N 1 0 331.395 1.899 50 0 EDAARO C[NH+](C)CC1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 ZINC000071853865 441170195 /nfs/dbraw/zinc/17/01/95/441170195.db2.gz ZZIRUEWOYASIHG-UHFFFAOYSA-N 1 0 346.406 1.336 50 0 EDAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CC(=O)NCc1ccccn1)CC2 ZINC000071871850 441177564 /nfs/dbraw/zinc/17/75/64/441177564.db2.gz XDOAPHJXKXUZGW-AWEZNQCLSA-N 1 0 328.420 1.017 50 0 EDAARO Cc1ccc([C@H](CNC(=O)CNC(=O)c2ccoc2)[NH+](C)C)cc1 ZINC000058326023 441180090 /nfs/dbraw/zinc/18/00/90/441180090.db2.gz 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CC(=O)N1CCN(CC[NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000071817120 441158645 /nfs/dbraw/zinc/15/86/45/441158645.db2.gz CKQGVRGWKBZGSP-UHFFFAOYSA-N 1 0 335.839 1.241 50 0 EDAARO Cn1c(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc(=O)n(C)c1=O ZINC000071826825 441161881 /nfs/dbraw/zinc/16/18/81/441161881.db2.gz DLRNYEAFYHNNOE-QGZVFWFLSA-N 1 0 325.412 1.736 50 0 EDAARO C[C@H](C1CCN(C(=O)Cc2ccc(O)cc2)CC1)[NH+]1CCOCC1 ZINC000072423364 441231104 /nfs/dbraw/zinc/23/11/04/441231104.db2.gz GUGFLEGWDBTNJY-OAHLLOKOSA-N 1 0 332.444 1.894 50 0 EDAARO O=C(OCc1ccccc1)N1CCCN(C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000072454832 441232088 /nfs/dbraw/zinc/23/20/88/441232088.db2.gz OGYWZQUJJRSHSN-LJQANCHMSA-N 1 0 347.459 1.445 50 0 EDAARO CC[N@H+](C)Cc1cccc(CNC(=O)CCSc2nnnn2C)c1 ZINC000058412135 441191550 /nfs/dbraw/zinc/19/15/50/441191550.db2.gz PHPBPQSECKNOBG-UHFFFAOYSA-N 1 0 348.476 1.460 50 0 EDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000058412714 441192542 /nfs/dbraw/zinc/19/25/42/441192542.db2.gz 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O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1N1CCOCC1 ZINC000065452827 441437481 /nfs/dbraw/zinc/43/74/81/441437481.db2.gz ZOOCFSQCWQAUMP-CQSZACIVSA-N 1 0 330.432 1.132 50 0 EDAARO O=C(CN1CC[NH2+]CC1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000065488742 441443379 /nfs/dbraw/zinc/44/33/79/441443379.db2.gz DTNXFUDVJOAKJQ-HXUWFJFHSA-N 1 0 341.455 1.749 50 0 EDAARO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2cccc(Cl)c2)CC1=O ZINC000074169750 441402659 /nfs/dbraw/zinc/40/26/59/441402659.db2.gz BJKFUNKTQCVZMD-AWEZNQCLSA-N 1 0 337.851 1.409 50 0 EDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-c2ccco2)[nH]c1=O ZINC000075125402 441498386 /nfs/dbraw/zinc/49/83/86/441498386.db2.gz CWXAQHHDVBTBRW-UKRRQHHQSA-N 1 0 327.384 1.992 50 0 EDAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCC(=O)NC2CCCC2)C1 ZINC000075128154 441499192 /nfs/dbraw/zinc/49/91/92/441499192.db2.gz HIRPPKVWUVHVOD-OAHLLOKOSA-N 1 0 338.496 1.855 50 0 EDAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cnns3)cc2)C1 ZINC000065528311 441452111 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Cc1cc(NC(=O)CC[N@H+]2CCC[C@H](Cc3nccn3C)C2)no1 ZINC000090004054 441611736 /nfs/dbraw/zinc/61/17/36/441611736.db2.gz MTCQPRYUQCFWJQ-CQSZACIVSA-N 1 0 331.420 2.000 50 0 EDAARO O=C(NCc1nnc2ccccn21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000089878865 441588028 /nfs/dbraw/zinc/58/80/28/441588028.db2.gz FJZJOSREAGGYAJ-AWEZNQCLSA-N 1 0 328.420 1.499 50 0 EDAARO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cccc2ccccc21 ZINC000089873263 441588440 /nfs/dbraw/zinc/58/84/40/441588440.db2.gz XKDHNVRWKRWQLY-UHFFFAOYSA-N 1 0 348.468 1.965 50 0 EDAARO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3nc4ccccc4o3)C[C@@H]2C)CC1 ZINC000076055245 441588810 /nfs/dbraw/zinc/58/88/10/441588810.db2.gz MVBCTWQVSWBZFY-YOEHRIQHSA-N 1 0 342.443 1.812 50 0 EDAARO CC[C@H](CNC(=O)c1cccnc1N1CCOCC1)[NH+]1CCCC1 ZINC000040540839 441628117 /nfs/dbraw/zinc/62/81/17/441628117.db2.gz QBYJXWOKNKSJEQ-OAHLLOKOSA-N 1 0 332.448 1.522 50 0 EDAARO CCNc1cc(N2CCN(C(=O)c3snnc3C)CC2)nc(C)[nH+]1 ZINC000067603449 441656332 /nfs/dbraw/zinc/65/63/32/441656332.db2.gz 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ZINC000077338357 441757648 /nfs/dbraw/zinc/75/76/48/441757648.db2.gz RMRCTYHJYMBMRR-SFHVURJKSA-N 1 0 345.491 1.764 50 0 EDAARO [NH3+]CCn1cc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)nn1 ZINC000077377311 441765546 /nfs/dbraw/zinc/76/55/46/441765546.db2.gz WCDOYXJJEWQOOH-ZDUSSCGKSA-N 1 0 335.433 1.120 50 0 EDAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCNS(C)(=O)=O ZINC000077371442 441766539 /nfs/dbraw/zinc/76/65/39/441766539.db2.gz UCOPPXNPTSDLTG-HNNXBMFYSA-N 1 0 325.478 1.132 50 0 EDAARO O=C(c1ccc(F)cc1F)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077456932 441785541 /nfs/dbraw/zinc/78/55/41/441785541.db2.gz FIAXSMWHIPVKNH-QGZVFWFLSA-N 1 0 340.370 1.264 50 0 EDAARO CN(C)C(=O)N1CCC([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000095985029 441970684 /nfs/dbraw/zinc/97/06/84/441970684.db2.gz UAPGGWCKVNLTFF-INIZCTEOSA-N 1 0 344.459 1.807 50 0 EDAARO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000095984945 441970852 /nfs/dbraw/zinc/97/08/52/441970852.db2.gz NPKAPMSROHLHGE-CJNGLKHVSA-N 1 0 338.473 1.882 50 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C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000078898550 441990706 /nfs/dbraw/zinc/99/07/06/441990706.db2.gz OADHYPSRHDLHIZ-PBHICJAKSA-N 1 0 343.475 1.813 50 0 EDAARO CCc1n[nH]c(=O)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1CC ZINC000125258444 442002782 /nfs/dbraw/zinc/00/27/82/442002782.db2.gz ASSPGLRWRJBONA-UHFFFAOYSA-N 1 0 334.464 1.934 50 0 EDAARO COC(=O)N[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000069704411 442017272 /nfs/dbraw/zinc/01/72/72/442017272.db2.gz UHLWXEGRIBTEOF-HOTGVXAUSA-N 1 0 333.432 1.758 50 0 EDAARO Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3CO)CC2)s1 ZINC000096099742 442026804 /nfs/dbraw/zinc/02/68/04/442026804.db2.gz QKICTYFMPDUCDL-CQSZACIVSA-N 1 0 344.502 1.666 50 0 EDAARO C[C@H](NC(=O)C[NH2+][C@H]1CCc2ncnn2C1)c1cc2ccccc2o1 ZINC000069740479 442027549 /nfs/dbraw/zinc/02/75/49/442027549.db2.gz NLCNNRBDCHIWKL-JSGCOSHPSA-N 1 0 339.399 1.806 50 0 EDAARO CC(C)(C)OC(=O)NCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069741391 442028207 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Cc1cccc2nc(C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)c(F)n21 ZINC000426512304 292620820 /nfs/dbraw/zinc/62/08/20/292620820.db2.gz QTZWSRXYNLKMQZ-CQSZACIVSA-N 1 0 348.422 1.965 50 0 EDAARO C[C@@H]1CCC[N@H+](CCNC(=O)C2CCN(c3ncccn3)CC2)C1 ZINC000044534154 274290288 /nfs/dbraw/zinc/29/02/88/274290288.db2.gz UPFZXBKSISKPNA-OAHLLOKOSA-N 1 0 331.464 1.541 50 0 EDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(CCC(=O)N2CCCCC2)CC1 ZINC000069869937 275835563 /nfs/dbraw/zinc/83/55/63/275835563.db2.gz CFFSPZFVSCRFGZ-INIZCTEOSA-N 1 0 325.497 1.414 50 0 EDAARO CCN(C(=O)Cn1cncn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000069350899 276062051 /nfs/dbraw/zinc/06/20/51/276062051.db2.gz NTRXGDFPPFEKKK-RDJZCZTQSA-N 1 0 327.432 1.962 50 0 EDAARO C[C@@H]1CN(C(=O)C[NH2+]C2(c3ccccc3)CCOCC2)C[C@@H](C)O1 ZINC000072633034 287887915 /nfs/dbraw/zinc/88/79/15/287887915.db2.gz FJYGEJKAMVZIEM-HZPDHXFCSA-N 1 0 332.444 1.918 50 0 EDAARO CN1CCN2CCN(C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1=O ZINC000106277222 277115698 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C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1([S@](C)=O)CCC1 ZINC000332916111 288982367 /nfs/dbraw/zinc/98/23/67/288982367.db2.gz XQMLWVIOZOUZPB-QLEMLULZSA-N 1 0 327.494 1.556 50 0 EDAARO COc1ccccc1/C=C\C[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000106918532 295348867 /nfs/dbraw/zinc/34/88/67/295348867.db2.gz HDNSFQLTSXQSTB-GMRZMDSISA-N 1 0 338.473 1.968 50 0 EDAARO COc1ccccc1OC1(C(=O)[O-])CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000072426012 295375362 /nfs/dbraw/zinc/37/53/62/295375362.db2.gz TYFPXZPXECVSHE-HNNXBMFYSA-N 1 0 348.443 1.993 50 0 EDAARO CC[C@@H](NC(=O)c1ccc(OC)c(OCC[NH3+])c1)c1ccnn1C ZINC000426379632 447430363 /nfs/dbraw/zinc/43/03/63/447430363.db2.gz FKJMDICTGHGOJC-CYBMUJFWSA-N 1 0 332.404 1.647 50 0 EDAARO CCNc1cc(NCCNC(=O)COc2ccccc2)nc(C)[nH+]1 ZINC000044213701 440825414 /nfs/dbraw/zinc/82/54/14/440825414.db2.gz XKCCKMYCYHHHEC-UHFFFAOYSA-N 1 0 329.404 1.824 50 0 EDAARO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1 ZINC000044937257 440913959 /nfs/dbraw/zinc/91/39/59/440913959.db2.gz QKHUEUPUTGKDGI-MRXNPFEDSA-N 1 0 336.461 1.782 50 0 EDAARO CNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000044943043 440917161 /nfs/dbraw/zinc/91/71/61/440917161.db2.gz IZMWAXDLCGPPCK-LBPRGKRZSA-N 1 0 343.449 1.040 50 0 EDAARO CC[C@H](CNC(=O)[C@H](C)n1cncn1)[N@@H+]1CCc2ccccc2C1 ZINC000044912157 440908709 /nfs/dbraw/zinc/90/87/09/440908709.db2.gz PKIABLAVNFXLOJ-WMLDXEAASA-N 1 0 327.432 1.792 50 0 EDAARO C[NH+]1CCC(NC(=O)NCc2cccnc2OCC(F)(F)F)CC1 ZINC000044949939 440921272 /nfs/dbraw/zinc/92/12/72/440921272.db2.gz HNDBUDACEQCFRX-UHFFFAOYSA-N 1 0 346.353 1.916 50 0 EDAARO CC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2Cn2cncn2)C1 ZINC000044968691 440929628 /nfs/dbraw/zinc/92/96/28/440929628.db2.gz GQPCTYMQYFNYAY-OAHLLOKOSA-N 1 0 342.447 1.467 50 0 EDAARO O=C(NCCc1cn2ccccc2n1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045426521 440983877 /nfs/dbraw/zinc/98/38/77/440983877.db2.gz UOOQOPJNYNBRJQ-HZPDHXFCSA-N 1 0 327.432 1.803 50 0 EDAARO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(=O)[nH]c1=O ZINC000007587763 441057302 /nfs/dbraw/zinc/05/73/02/441057302.db2.gz YOQYIVCBJHNJAE-OLZOCXBDSA-N 1 0 348.447 1.366 50 0 EDAARO Cc1nc(CC(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)cs1 ZINC000070004233 441102245 /nfs/dbraw/zinc/10/22/45/441102245.db2.gz AVVCYOMJAPXQRW-AWEZNQCLSA-N 1 0 325.478 1.545 50 0 EDAARO C[N@H+](CC(=O)NCc1ccccn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000070021155 441105747 /nfs/dbraw/zinc/10/57/47/441105747.db2.gz PDSNENCUUWXSDM-INIZCTEOSA-N 1 0 340.431 1.089 50 0 EDAARO Cc1c(CC(=O)N2CC[NH+](C(C)C)CC2)nnn1-c1ccccc1 ZINC000057338972 441109785 /nfs/dbraw/zinc/10/97/85/441109785.db2.gz JWVWJTZEXBFRSQ-UHFFFAOYSA-N 1 0 327.432 1.671 50 0 EDAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000057399392 441113009 /nfs/dbraw/zinc/11/30/09/441113009.db2.gz MUUKOVLHOPXRSH-MRXNPFEDSA-N 1 0 329.400 1.430 50 0 EDAARO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)[N@H+](C)C1CC1 ZINC000057701392 441128336 /nfs/dbraw/zinc/12/83/36/441128336.db2.gz DEZHDSOUDFNMMT-CJNGLKHVSA-N 1 0 349.500 1.881 50 0 EDAARO Cc1c(C(=O)NCC2CC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000012279698 441130133 /nfs/dbraw/zinc/13/01/33/441130133.db2.gz QXZWJYPBBNRCSW-UHFFFAOYSA-N 1 0 345.472 1.891 50 0 EDAARO O=C(CCn1cncn1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012589269 441136889 /nfs/dbraw/zinc/13/68/89/441136889.db2.gz PKKVNSOGUPRDQD-KRWDZBQOSA-N 1 0 327.432 1.492 50 0 EDAARO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)ccc1Br ZINC000071310294 441144851 /nfs/dbraw/zinc/14/48/51/441144851.db2.gz UUZSSLZRFQBKAX-JTQLQIEISA-N 1 0 333.251 1.740 50 0 EDAARO Cc1ccn2cc(C(=O)N3CCN(C4CC[NH+](C)CC4)CC3)nc2c1 ZINC000097939005 441145871 /nfs/dbraw/zinc/14/58/71/441145871.db2.gz JCCSOCKFRKLENJ-UHFFFAOYSA-N 1 0 341.459 1.495 50 0 EDAARO Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCC[N@@H+](C)C(C)C ZINC000058005364 441147802 /nfs/dbraw/zinc/14/78/02/441147802.db2.gz PMPFPAYEMZUUBG-UHFFFAOYSA-N 1 0 336.889 1.781 50 0 EDAARO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000071850963 441169153 /nfs/dbraw/zinc/16/91/53/441169153.db2.gz VIFBXZUPNWWHNO-HNNXBMFYSA-N 1 0 331.464 1.805 50 0 EDAARO O=C(C[NH2+]C[C@@H]1CCCN1c1cccnn1)Nc1ccc(Cl)cn1 ZINC000071859873 441172312 /nfs/dbraw/zinc/17/23/12/441172312.db2.gz ZOPLUSSQRHVSIC-ZDUSSCGKSA-N 1 0 346.822 1.722 50 0 EDAARO C[C@@H](CNC(=O)[C@H](C)Oc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000071867477 441175650 /nfs/dbraw/zinc/17/56/50/441175650.db2.gz VCCCWFAIJNWWQT-KBPBESRZSA-N 1 0 339.867 1.859 50 0 EDAARO COc1ccc(CCC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000071867496 441175825 /nfs/dbraw/zinc/17/58/25/441175825.db2.gz YRICMLVBQGHAPZ-OAHLLOKOSA-N 1 0 349.475 1.389 50 0 EDAARO C[C@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000071875839 441178899 /nfs/dbraw/zinc/17/88/99/441178899.db2.gz MYZOZYSLZRDLOX-FUHWJXTLSA-N 1 0 331.460 1.349 50 0 EDAARO Cc1nc2n(n1)C[C@H]([NH2+]CCC(=O)N1CCc3ccccc31)CC2 ZINC000071879326 441182277 /nfs/dbraw/zinc/18/22/77/441182277.db2.gz KEFAFCFYPMXGOF-OAHLLOKOSA-N 1 0 325.416 1.470 50 0 EDAARO CC[NH+](CC)[C@H](CNC(=O)CN(C)c1cnccn1)c1ccco1 ZINC000058342658 441182485 /nfs/dbraw/zinc/18/24/85/441182485.db2.gz OCQIDFJKEMGIJI-CQSZACIVSA-N 1 0 331.420 1.705 50 0 EDAARO Cc1onc2c1c(C)nn(C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c2=O ZINC000058343054 441182741 /nfs/dbraw/zinc/18/27/41/441182741.db2.gz WRLHXHBUOMJPIJ-HNNXBMFYSA-N 1 0 342.399 1.494 50 0 EDAARO CC[N@H+](Cc1ccc(OC)c(F)c1)Cc1cc(=O)n(C)c(=O)n1C ZINC000071886852 441185635 /nfs/dbraw/zinc/18/56/35/441185635.db2.gz FBLQHOWAQOZXOX-UHFFFAOYSA-N 1 0 335.379 1.254 50 0 EDAARO COc1cccc(NC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)c1 ZINC000071897353 441189128 /nfs/dbraw/zinc/18/91/28/441189128.db2.gz BFNCRQWYNHIHNK-KRWDZBQOSA-N 1 0 330.432 1.829 50 0 EDAARO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](CC(C)C)C(=O)N3C2)c1 ZINC000014753011 441189239 /nfs/dbraw/zinc/18/92/39/441189239.db2.gz WRHXCHXQADTFRO-UAGQMJEPSA-N 1 0 347.434 1.738 50 0 EDAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000058061075 441149588 /nfs/dbraw/zinc/14/95/88/441149588.db2.gz VPZIVAZOYBGXOP-RDTXWAMCSA-N 1 0 344.415 1.554 50 0 EDAARO Cc1cc(C)n2nc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)nc2n1 ZINC000047110968 441156780 /nfs/dbraw/zinc/15/67/80/441156780.db2.gz CDYAPNIUPYDXSY-LBPRGKRZSA-N 1 0 330.436 1.593 50 0 EDAARO C[NH+](C)C1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 ZINC000071824112 441161153 /nfs/dbraw/zinc/16/11/53/441161153.db2.gz KHTCRIUABWWAEX-UHFFFAOYSA-N 1 0 332.379 1.088 50 0 EDAARO Cc1nc(COc2ccc(C[NH2+][C@@H]3CCS(=O)(=O)C3)cc2)no1 ZINC000071828150 441162777 /nfs/dbraw/zinc/16/27/77/441162777.db2.gz WUIUJPZTZFMYRH-CYBMUJFWSA-N 1 0 337.401 1.234 50 0 EDAARO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccncc1 ZINC000060099044 441233486 /nfs/dbraw/zinc/23/34/86/441233486.db2.gz QHLZYPCDFKMKLQ-INIZCTEOSA-N 1 0 333.432 1.961 50 0 EDAARO CCC[NH+]1CCC(NS(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000017071560 441236260 /nfs/dbraw/zinc/23/62/60/441236260.db2.gz WWGFJPRKFIPGLK-UHFFFAOYSA-N 1 0 342.461 1.857 50 0 EDAARO CN(C(=O)CCn1cncn1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014973483 441192011 /nfs/dbraw/zinc/19/20/11/441192011.db2.gz QJEUVNBLNGLCCF-GOSISDBHSA-N 1 0 341.459 1.834 50 0 EDAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000072012910 441203202 /nfs/dbraw/zinc/20/32/02/441203202.db2.gz IIAAIZYYOUWICE-HNNXBMFYSA-N 1 0 326.485 1.473 50 0 EDAARO C[NH+]1CCC(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000047615614 441210071 /nfs/dbraw/zinc/21/00/71/441210071.db2.gz PBOZZVPKRSRUST-INIZCTEOSA-N 1 0 331.416 1.628 50 0 EDAARO C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000072254052 441210465 /nfs/dbraw/zinc/21/04/65/441210465.db2.gz RIMQWFGSNOPHFA-RRQGHBQHSA-N 1 0 342.867 1.699 50 0 EDAARO Cc1nn(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)c1Cl ZINC000072268998 441212297 /nfs/dbraw/zinc/21/22/97/441212297.db2.gz TVCHEXMMGYLDCG-ZIAGYGMSSA-N 1 0 340.855 1.211 50 0 EDAARO O=C(CN1CCc2sccc2C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269632 441213513 /nfs/dbraw/zinc/21/35/13/441213513.db2.gz WTQVHJDKMXSHII-CVEARBPZSA-N 1 0 349.500 1.164 50 0 EDAARO COc1ccc2cc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)[nH]c2c1 ZINC000072269611 441213662 /nfs/dbraw/zinc/21/36/62/441213662.db2.gz UCCQTPYUHKMKLQ-ZWKOTPCHSA-N 1 0 343.427 1.848 50 0 EDAARO CCn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)CC2 ZINC000072302171 441227818 /nfs/dbraw/zinc/22/78/18/441227818.db2.gz VRZUYNHADJVJKJ-OAHLLOKOSA-N 1 0 347.390 1.200 50 0 EDAARO Cn1c(C[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)nc2ccccc21 ZINC000072300820 441227958 /nfs/dbraw/zinc/22/79/58/441227958.db2.gz UNQVBBXOJBDCBE-SGTLLEGYSA-N 1 0 341.415 1.383 50 0 EDAARO O=C(NCCc1cn2ccccc2n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000048342017 441295079 /nfs/dbraw/zinc/29/50/79/441295079.db2.gz YXGFUBNEWCVIPA-MRXNPFEDSA-N 1 0 345.447 1.023 50 0 EDAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(OC)cc2)C1 ZINC000105700344 441263153 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ZINC000102716926 219224672 /nfs/dbraw/zinc/22/46/72/219224672.db2.gz VXKKPJWLPGERAE-MRXNPFEDSA-N 1 0 328.416 1.453 50 0 EDAARO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccccc2)CC12CCOCC2 ZINC000097942788 539574126 /nfs/dbraw/zinc/57/41/26/539574126.db2.gz ACQGYKFCRIYZIN-MRXNPFEDSA-N 1 0 332.444 1.882 50 0 EDAARO CCn1ccc(CC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)n1 ZINC000685941742 539581207 /nfs/dbraw/zinc/58/12/07/539581207.db2.gz HRLFYEMEKKOGQG-AHCXZYCDSA-N 1 0 334.464 1.041 50 0 EDAARO CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCc3ncc(C)o3)ncn2)C1 ZINC000685943127 539582701 /nfs/dbraw/zinc/58/27/01/539582701.db2.gz WLJFXHDMFRTMRW-KBPBESRZSA-N 1 0 346.435 1.540 50 0 EDAARO CN(CCc1ccccn1)c1ncccc1CNC(=O)C[NH+](C)C ZINC000067674367 215179540 /nfs/dbraw/zinc/17/95/40/215179540.db2.gz DVCOGYRUOFOLNA-UHFFFAOYSA-N 1 0 327.432 1.333 50 0 EDAARO CC(C)c1nnsc1CN1C(=O)N[C@@](C)(C2CC[NH2+]CC2)C1=O ZINC000067742032 215201343 /nfs/dbraw/zinc/20/13/43/215201343.db2.gz MZFFKKISDBFRDE-HNNXBMFYSA-N 1 0 337.449 1.472 50 0 EDAARO Nc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(O)c3)C2)ccn1 ZINC000067756857 215205145 /nfs/dbraw/zinc/20/51/45/215205145.db2.gz ONJQIGFINKTLCB-AWEZNQCLSA-N 1 0 326.400 1.621 50 0 EDAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=Cc2ccccc2OC=C1 ZINC000067872814 215237176 /nfs/dbraw/zinc/23/71/76/215237176.db2.gz GHJHTPFJVKHLQE-GJZGRUSLSA-N 1 0 327.384 1.040 50 0 EDAARO CNC(=O)[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3cnn(C)c3)c2)C1 ZINC000067908272 215247426 /nfs/dbraw/zinc/24/74/26/215247426.db2.gz BZXIJSYIWYHTNV-HNNXBMFYSA-N 1 0 341.415 1.240 50 0 EDAARO CCn1c(CC2CC[NH+](Cc3c(C)n[nH]c3C)CC2)nn(C)c1=O ZINC000067947896 215258179 /nfs/dbraw/zinc/25/81/79/215258179.db2.gz LZEXRSJZWIDXQT-UHFFFAOYSA-N 1 0 332.452 1.396 50 0 EDAARO C[NH+](C)CCCNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O ZINC000041549933 213451676 /nfs/dbraw/zinc/45/16/76/213451676.db2.gz JKYMRKLWGXQVCC-HNNXBMFYSA-N 1 0 325.796 1.498 50 0 EDAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cnccn3)cc2)CC1 ZINC000040538574 213341112 /nfs/dbraw/zinc/34/11/12/213341112.db2.gz RTOZTJDULZHBNB-UHFFFAOYSA-N 1 0 339.443 1.544 50 0 EDAARO C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000069697364 215534648 /nfs/dbraw/zinc/53/46/48/215534648.db2.gz HBOFGRKUYUQYPP-HKUYNNGSSA-N 1 0 343.475 1.044 50 0 EDAARO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000236862884 535392031 /nfs/dbraw/zinc/39/20/31/535392031.db2.gz AOBBQGDLLWSMBQ-ZDUSSCGKSA-N 1 0 342.461 1.714 50 0 EDAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1 ZINC000072138837 216025888 /nfs/dbraw/zinc/02/58/88/216025888.db2.gz AVUCAADQDQKSDB-AWEZNQCLSA-N 1 0 347.337 1.335 50 0 EDAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1 ZINC000072144941 216030754 /nfs/dbraw/zinc/03/07/54/216030754.db2.gz UTBFTBPVXDUPKX-HNNXBMFYSA-N 1 0 328.416 1.482 50 0 EDAARO COc1ccc(-c2cc(C(=O)NC[C@]3(O)CCC[NH2+]CC3)[nH]n2)cc1 ZINC000072152836 216040956 /nfs/dbraw/zinc/04/09/56/216040956.db2.gz UKFFAKMOAGIEBB-SFHVURJKSA-N 1 0 344.415 1.320 50 0 EDAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+](C)C)CCC(=O)N2C)cc1 ZINC000072242051 216081252 /nfs/dbraw/zinc/08/12/52/216081252.db2.gz JBAQQRFVTSKIJC-AEFFLSMTSA-N 1 0 347.459 1.673 50 0 EDAARO Cc1cnn(CC[NH2+]CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000072253069 216083639 /nfs/dbraw/zinc/08/36/39/216083639.db2.gz YGMMWQAKFGZMJY-AWEZNQCLSA-N 1 0 344.415 1.430 50 0 EDAARO CC(C)[NH2+][C@@H]1CC[C@@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000072406842 216197162 /nfs/dbraw/zinc/19/71/62/216197162.db2.gz KONHXLSJDNODPW-ZJUUUORDSA-N 1 0 326.447 1.499 50 0 EDAARO c1cc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)cc(N2CC[NH2+]CC2)c1 ZINC000072409510 216200534 /nfs/dbraw/zinc/20/05/34/216200534.db2.gz LVMMOPIIIMUYLU-VQTJNVASSA-N 1 0 345.487 1.519 50 0 EDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)NCc3ccccc3)CC[C@H]21 ZINC000072419178 216207762 /nfs/dbraw/zinc/20/77/62/216207762.db2.gz VDTUCIFDWMZZMD-DLBZAZTESA-N 1 0 344.459 1.429 50 0 EDAARO Cc1cc(C(F)(F)F)nc(CNc2ncnc3c2CC[NH2+]CC3)n1 ZINC000072459205 216243611 /nfs/dbraw/zinc/24/36/11/216243611.db2.gz XMJIUUDOTKORPZ-UHFFFAOYSA-N 1 0 338.337 1.894 50 0 EDAARO COc1ccnc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c1OC ZINC000072473046 216250202 /nfs/dbraw/zinc/25/02/02/216250202.db2.gz ZYJSOAYUIKPOEA-HNNXBMFYSA-N 1 0 337.464 1.623 50 0 EDAARO CN1C[C@]2(CC[N@@H+](C3CCN(C(=O)c4ccccn4)CC3)C2)OC1=O ZINC000072473918 216251538 /nfs/dbraw/zinc/25/15/38/216251538.db2.gz UPNHKPABTSVSFL-SFHVURJKSA-N 1 0 344.415 1.213 50 0 EDAARO CC(C)C(=O)NCC(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072480481 216259727 /nfs/dbraw/zinc/25/97/27/216259727.db2.gz ZQIHZJGAZBTBAO-SFHVURJKSA-N 1 0 345.487 1.924 50 0 EDAARO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H](O)C3)CC2)c1 ZINC000072884993 216323661 /nfs/dbraw/zinc/32/36/61/216323661.db2.gz CJQLVJAAXVIOHE-GOSISDBHSA-N 1 0 331.460 1.490 50 0 EDAARO COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)ccc1F ZINC000023372926 212372580 /nfs/dbraw/zinc/37/25/80/212372580.db2.gz VOGWTJWHEYJJKH-IAGOWNOFSA-N 1 0 337.439 1.017 50 0 EDAARO COc1ccccc1CNC(=O)C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000023425327 212377169 /nfs/dbraw/zinc/37/71/69/212377169.db2.gz KKUUXVNWNCLLRA-OAHLLOKOSA-N 1 0 331.416 1.797 50 0 EDAARO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193094749 240017515 /nfs/dbraw/zinc/01/75/15/240017515.db2.gz WBEXAVLCRWXVPT-UHFFFAOYSA-N 1 0 329.853 1.572 50 0 EDAARO Cc1cccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c1Br ZINC000193349721 240125324 /nfs/dbraw/zinc/12/53/24/240125324.db2.gz MTEQAPBOUPJOQV-JTQLQIEISA-N 1 0 333.251 1.788 50 0 EDAARO CCOc1c(Br)cc(CNCC[NH2+]CCO)cc1OC ZINC000022076019 212277124 /nfs/dbraw/zinc/27/71/24/212277124.db2.gz SPOXGQDYPLNDEE-UHFFFAOYSA-N 1 0 347.253 1.528 50 0 EDAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(=O)n(C)c1 ZINC000215168758 241110632 /nfs/dbraw/zinc/11/06/32/241110632.db2.gz RLUFOTHOHGZAQM-AWEZNQCLSA-N 1 0 325.412 1.562 50 0 EDAARO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C(N)=O)c2ccccc2)ncn1 ZINC000229346114 242157776 /nfs/dbraw/zinc/15/77/76/242157776.db2.gz ALPDQKJBLFEGAR-WMLDXEAASA-N 1 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CCn1cc(C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cn1 ZINC000012745534 211442718 /nfs/dbraw/zinc/44/27/18/211442718.db2.gz LCNMCVAKQKXETB-QGZVFWFLSA-N 1 0 330.407 1.975 50 0 EDAARO O=C(c1cn(Cc2ccccc2Cl)nn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012206929 211321415 /nfs/dbraw/zinc/32/14/15/211321415.db2.gz XIQRZRVAKVJOFH-CQSZACIVSA-N 1 0 345.834 1.900 50 0 EDAARO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(CCOc2ccccc2)CC1 ZINC000091625283 218034585 /nfs/dbraw/zinc/03/45/85/218034585.db2.gz RDAXSZVYDNVYGF-GOSISDBHSA-N 1 0 343.471 1.599 50 0 EDAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH+]1CCC(CO)CC1 ZINC000011874562 211262594 /nfs/dbraw/zinc/26/25/94/211262594.db2.gz VRARAJVXOSVCBI-LJQANCHMSA-N 1 0 338.492 1.625 50 0 EDAARO CCCCc1c(C)[nH+]c(N)nc1N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000091536080 218019166 /nfs/dbraw/zinc/01/91/66/218019166.db2.gz OYYAKDOCJVZVEV-CYBMUJFWSA-N 1 0 340.493 1.971 50 0 EDAARO CSCC(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091603242 218030236 /nfs/dbraw/zinc/03/02/36/218030236.db2.gz 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C[NH+](C)[C@H](CNC(=O)CSc1cccc[n+]1[O-])c1ccccc1 ZINC000006879465 441021206 /nfs/dbraw/zinc/02/12/06/441021206.db2.gz OWAQUDKSJFMKOV-OAHLLOKOSA-N 1 0 331.441 1.831 50 0 EDAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)CC2 ZINC000070037370 441107146 /nfs/dbraw/zinc/10/71/46/441107146.db2.gz PGYFKFAOYBVTFO-SJORKVTESA-N 1 0 344.459 1.884 50 0 EDAARO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2cccc(OCC(N)=O)c2)c1 ZINC000070039858 441108044 /nfs/dbraw/zinc/10/80/44/441108044.db2.gz FSQSXHFGOZLVKA-MRXNPFEDSA-N 1 0 328.416 1.720 50 0 EDAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000012793817 441143497 /nfs/dbraw/zinc/14/34/97/441143497.db2.gz JMMZKXMMQMVVNN-KRWDZBQOSA-N 1 0 348.410 1.871 50 0 EDAARO C[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)[NH+]1CCC(C)CC1 ZINC000058279686 441169750 /nfs/dbraw/zinc/16/97/50/441169750.db2.gz MZEKIMZSOXKLAU-OAHLLOKOSA-N 1 0 342.443 1.633 50 0 EDAARO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc21)C[NH+]1CCN(C)CC1 ZINC000071853879 441169950 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[NH3+]CCCOC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000124975670 287401935 /nfs/dbraw/zinc/40/19/35/287401935.db2.gz PQCRVNLTYKVTIW-UHFFFAOYSA-N 1 0 346.880 2.000 50 0 EDAARO CC(=O)N[C@H](CC(=O)N(C)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000125339332 222550312 /nfs/dbraw/zinc/55/03/12/222550312.db2.gz HSQYAMHDLGRYPW-MRXNPFEDSA-N 1 0 339.386 1.743 50 0 EDAARO COC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000072154801 274009239 /nfs/dbraw/zinc/00/92/39/274009239.db2.gz WZTNVFVREKXMKG-GOSISDBHSA-N 1 0 340.383 1.682 50 0 EDAARO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C12CCOCC2 ZINC000170082807 276473206 /nfs/dbraw/zinc/47/32/06/276473206.db2.gz HWJWIIHEFWQPLQ-HZPDHXFCSA-N 1 0 326.481 1.661 50 0 EDAARO CN(C(=O)CN1CCO[C@@H](C[NH+](C)C)C1)[C@H]1CCCc2ccccc21 ZINC000247060538 276769812 /nfs/dbraw/zinc/76/98/12/276769812.db2.gz FVHOKLPUSVEIOV-HKUYNNGSSA-N 1 0 345.487 1.785 50 0 EDAARO C[NH+](C)[C@H]1CN(c2cncc(C(=O)N3CCCC3)n2)C[C@@H]1C1CC1 ZINC000091657258 276878074 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C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(-n2cncn2)nc1 ZINC000044968730 440929704 /nfs/dbraw/zinc/92/97/04/440929704.db2.gz LVVONXCBJIXQSU-CQSZACIVSA-N 1 0 343.435 1.336 50 0 EDAARO CC(=O)N1CCCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000044969436 440931694 /nfs/dbraw/zinc/93/16/94/440931694.db2.gz GKZTVAPEVNIWQN-HNNXBMFYSA-N 1 0 338.477 1.615 50 0 EDAARO COc1ccc(CN2CC[NH+](C[C@H](O)Cn3cccn3)CC2)cc1F ZINC000044975168 440933103 /nfs/dbraw/zinc/93/31/03/440933103.db2.gz QINFNTCVMCZAFI-INIZCTEOSA-N 1 0 348.422 1.210 50 0 EDAARO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@H](O)C1 ZINC000005980385 440975846 /nfs/dbraw/zinc/97/58/46/440975846.db2.gz FKJRGJFTTGBHLP-STQMWFEESA-N 1 0 330.222 1.646 50 0 EDAARO O=S(=O)(NCC[NH+]1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000007780167 441067878 /nfs/dbraw/zinc/06/78/78/441067878.db2.gz DKZCCNXLKVWGAR-UHFFFAOYSA-N 1 0 326.418 1.222 50 0 EDAARO COCC[N@@H+]1CCN(Cc2nnnn2-c2c(C)cccc2C)C[C@H]1C ZINC000070016653 441104384 /nfs/dbraw/zinc/10/43/84/441104384.db2.gz MOOPIITWNAGUDP-MRXNPFEDSA-N 1 0 344.463 1.432 50 0 EDAARO C[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1nncn1C ZINC000046428168 441107485 /nfs/dbraw/zinc/10/74/85/441107485.db2.gz UGUPIZVOVRZKRY-AWEZNQCLSA-N 1 0 342.447 1.624 50 0 EDAARO Cc1c(CC(=O)N2CC[NH+](C(C)C)CC2)nnn1-c1ccc(C)cc1 ZINC000057339421 441110025 /nfs/dbraw/zinc/11/00/25/441110025.db2.gz JYIKVAJTHYOTAC-UHFFFAOYSA-N 1 0 341.459 1.979 50 0 EDAARO Cc1nc2n(n1)C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc3ccccc31)CC2 ZINC000069948532 441094859 /nfs/dbraw/zinc/09/48/59/441094859.db2.gz LOLLBTUFPDVLQR-DZGCQCFKSA-N 1 0 341.415 1.131 50 0 EDAARO COCC[N@@H+]1CCN(CCCc2nnnn2-c2ccccc2)C[C@H]1C ZINC000069951891 441095651 /nfs/dbraw/zinc/09/56/51/441095651.db2.gz FKQAMQDKYNDANZ-MRXNPFEDSA-N 1 0 344.463 1.247 50 0 EDAARO Cc1cc(=O)c(C(=O)NC[C@@H](C)[NH+](C)C)nn1-c1ccc(Cl)cc1 ZINC000046273229 441097725 /nfs/dbraw/zinc/09/77/25/441097725.db2.gz HBGFPIMTVFQDAD-GFCCVEGCSA-N 1 0 348.834 1.874 50 0 EDAARO CC1CC[NH+](CCNC(=O)C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000046957235 441141823 /nfs/dbraw/zinc/14/18/23/441141823.db2.gz GWHFHQVTKMVNCX-UHFFFAOYSA-N 1 0 347.459 1.980 50 0 EDAARO CCn1cnnc1CNC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000046964694 441142295 /nfs/dbraw/zinc/14/22/95/441142295.db2.gz JKCJDYHWWMMDAY-UHFFFAOYSA-N 1 0 348.476 1.777 50 0 EDAARO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2c(C)nn(C)c2C)cc1 ZINC000071280480 441143077 /nfs/dbraw/zinc/14/30/77/441143077.db2.gz UPYYKKJWTANLTM-OAHLLOKOSA-N 1 0 333.432 1.917 50 0 EDAARO COc1cccc(CCNC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000097490668 441140274 /nfs/dbraw/zinc/14/02/74/441140274.db2.gz QQWANNSNLVJKQL-INIZCTEOSA-N 1 0 332.444 1.855 50 0 EDAARO CN(c1cccc(NC(=O)CC2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC000071385142 441145502 /nfs/dbraw/zinc/14/55/02/441145502.db2.gz YNWIKXCJFAUUTF-UHFFFAOYSA-N 1 0 339.461 1.753 50 0 EDAARO COC(=O)c1cc(C[N@H+](C)C[C@@H](O)COCc2ccco2)oc1C ZINC000057981067 441146966 /nfs/dbraw/zinc/14/69/66/441146966.db2.gz QABDASKWJZLXHQ-CYBMUJFWSA-N 1 0 337.372 1.977 50 0 EDAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@@H](C)CCO ZINC000071639693 441148262 /nfs/dbraw/zinc/14/82/62/441148262.db2.gz PZPPTKPRARETEC-LBPRGKRZSA-N 1 0 333.432 1.849 50 0 EDAARO O=C(C[NH+]1CCC(C(=O)NCc2ccco2)CC1)NC1CCCC1 ZINC000058283389 441172224 /nfs/dbraw/zinc/17/22/24/441172224.db2.gz NSMVPRPVQUMSKT-UHFFFAOYSA-N 1 0 333.432 1.667 50 0 EDAARO C[C@@H](CNC(=O)CCn1ccc2ccccc21)N1CC[NH+](C)CC1 ZINC000071867399 441175238 /nfs/dbraw/zinc/17/52/38/441175238.db2.gz XEZFQMKNVVAMEO-INIZCTEOSA-N 1 0 328.460 1.784 50 0 EDAARO COc1c(C[NH2+]Cc2ccccc2CN2CCOCC2)c(C)nn1C ZINC000058297535 441175296 /nfs/dbraw/zinc/17/52/96/441175296.db2.gz IGUBNTJKDQSWCW-UHFFFAOYSA-N 1 0 344.459 1.859 50 0 EDAARO CCC[N@@H+]1CCCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000058328256 441179650 /nfs/dbraw/zinc/17/96/50/441179650.db2.gz DDGQJGCACUVTEP-UHFFFAOYSA-N 1 0 329.408 1.612 50 0 EDAARO C[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000071877171 441181346 /nfs/dbraw/zinc/18/13/46/441181346.db2.gz 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ZINC000058393984 441189791 /nfs/dbraw/zinc/18/97/91/441189791.db2.gz RRSCVERPPBVRGT-QGZVFWFLSA-N 1 0 345.443 1.387 50 0 EDAARO O=C(CSc1ccccc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000071908949 441192707 /nfs/dbraw/zinc/19/27/07/441192707.db2.gz PNXGOCAOKSPSEO-INIZCTEOSA-N 1 0 349.500 1.301 50 0 EDAARO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000015063741 441194576 /nfs/dbraw/zinc/19/45/76/441194576.db2.gz IEOTZLRKJXQVED-MRXNPFEDSA-N 1 0 330.476 1.812 50 0 EDAARO COc1ccc(OC)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000071914452 441195595 /nfs/dbraw/zinc/19/55/95/441195595.db2.gz VRLKZVRKSPUYSD-AWEZNQCLSA-N 1 0 348.443 1.935 50 0 EDAARO Cc1ccc(F)cc1NC(=O)N(C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000071922273 441198393 /nfs/dbraw/zinc/19/83/93/441198393.db2.gz BPUKLYQGDGZFLS-HNNXBMFYSA-N 1 0 338.427 1.206 50 0 EDAARO CCc1nnc2n1C[C@H](C[NH2+]Cc1ccc3c(c1)OCCO3)CC2 ZINC000072252984 441208923 /nfs/dbraw/zinc/20/89/23/441208923.db2.gz LSFPLKLNMIEMPT-AWEZNQCLSA-N 1 0 328.416 1.964 50 0 EDAARO Cc1cnn(CC[NH2+]CC(=O)N(C)C[C@@H]2COc3ccccc3O2)c1 ZINC000072253083 441209270 /nfs/dbraw/zinc/20/92/70/441209270.db2.gz MZMCPUMKUORQBA-OAHLLOKOSA-N 1 0 344.415 1.080 50 0 EDAARO C[NH+]1CCC(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000047615615 441210193 /nfs/dbraw/zinc/21/01/93/441210193.db2.gz PBOZZVPKRSRUST-MRXNPFEDSA-N 1 0 331.416 1.628 50 0 EDAARO COc1ccc(OCCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000072269221 441212846 /nfs/dbraw/zinc/21/28/46/441212846.db2.gz FVPDFIZWOGPCAH-ZWKOTPCHSA-N 1 0 348.443 1.522 50 0 EDAARO Cc1noc(Cl)c1CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269004 441212892 /nfs/dbraw/zinc/21/28/92/441212892.db2.gz RLYRJWAPGWSZJQ-KGLIPLIRSA-N 1 0 341.839 1.627 50 0 EDAARO C[C@H]1CCC[N@H+](CCNC(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000048079916 441256863 /nfs/dbraw/zinc/25/68/63/441256863.db2.gz UKOWJEFWKPDGEV-HNNXBMFYSA-N 1 0 347.463 1.772 50 0 EDAARO O=C(NCCC[NH+]1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000048343272 441295384 /nfs/dbraw/zinc/29/53/84/441295384.db2.gz SUCIHLBMAKILHD-UHFFFAOYSA-N 1 0 340.427 1.507 50 0 EDAARO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccncc3)cn2)CC1 ZINC000048308621 441290806 /nfs/dbraw/zinc/29/08/06/441290806.db2.gz IHWQHWZXSPXQFX-UHFFFAOYSA-N 1 0 326.404 1.550 50 0 EDAARO C[NH+](C)[C@H]1CCCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000082109647 441334438 /nfs/dbraw/zinc/33/44/38/441334438.db2.gz FSXCHTOPXNKHBS-ZDUSSCGKSA-N 1 0 345.365 1.810 50 0 EDAARO COc1ccc(OC2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000082126471 441336061 /nfs/dbraw/zinc/33/60/61/441336061.db2.gz OAVKSXZDLFNNMQ-AWEZNQCLSA-N 1 0 334.416 1.444 50 0 EDAARO Cc1cn2cc(C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)ccc2n1 ZINC000082139065 441337044 /nfs/dbraw/zinc/33/70/44/441337044.db2.gz XXTGLCOKXFWAAT-MRXNPFEDSA-N 1 0 330.432 1.826 50 0 EDAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCc1nc(Cl)n[nH]1 ZINC000082162103 441338680 /nfs/dbraw/zinc/33/86/80/441338680.db2.gz YRSOKLJSNJPOBB-AWEZNQCLSA-N 1 0 347.850 1.906 50 0 EDAARO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 ZINC000025303164 441339217 /nfs/dbraw/zinc/33/92/17/441339217.db2.gz UWAYIOXOROUSAS-KRWDZBQOSA-N 1 0 346.402 1.943 50 0 EDAARO O=C1OCC[C@@H]1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063143429 441316688 /nfs/dbraw/zinc/31/66/88/441316688.db2.gz HCENPQAKBNZCED-HNNXBMFYSA-N 1 0 333.457 1.431 50 0 EDAARO CC[C@H]1CN(Cc2csc(-c3cnn(C)c3)n2)CC[N@@H+]1C[C@H](C)O ZINC000106906870 441388320 /nfs/dbraw/zinc/38/83/20/441388320.db2.gz JVSPZLBVYQBEDB-BBRMVZONSA-N 1 0 349.504 1.821 50 0 EDAARO C[NH+](C)CCn1cc(C(=O)NCc2ccccc2Cl)ccc1=O ZINC000064760452 441391663 /nfs/dbraw/zinc/39/16/63/441391663.db2.gz XIBGKWFTISEATH-UHFFFAOYSA-N 1 0 333.819 1.993 50 0 EDAARO C[NH+](C)CCNC(=O)c1nc(-c2ccnc(N3CCCC3)c2)no1 ZINC000065245889 441409689 /nfs/dbraw/zinc/40/96/89/441409689.db2.gz TXLIMVTVNGBJJA-UHFFFAOYSA-N 1 0 330.392 1.023 50 0 EDAARO Cc1noc([C@@H](C)N2CC[C@@H](N(C)Cc3nnc(C4CC4)n3C)C2)n1 ZINC000107354309 441411588 /nfs/dbraw/zinc/41/15/88/441411588.db2.gz RMGPIHQYRIAOGO-BXUZGUMPSA-N 1 0 345.451 1.651 50 0 EDAARO O=S(=O)(N[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1)c1cccc(F)c1 ZINC000108348002 441448632 /nfs/dbraw/zinc/44/86/32/441448632.db2.gz YWPMSMNVOYQASJ-UKRRQHHQSA-N 1 0 342.436 1.605 50 0 EDAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1cn2ccccc2n1 ZINC000426420113 447440420 /nfs/dbraw/zinc/44/04/20/447440420.db2.gz ZQOVQUCQJGWMTG-CQSZACIVSA-N 1 0 338.415 1.314 50 0 EDAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1CC1=Cc2cccc(OC)c2OC1 ZINC000065393559 441423065 /nfs/dbraw/zinc/42/30/65/441423065.db2.gz BRXRIZOPJYNNIP-CVEARBPZSA-N 1 0 346.427 1.649 50 0 EDAARO CC(=O)N1CCc2[nH]cnc2[C@@H]1C1=CCC[N@H+](CCn2cccc2)C1 ZINC000065398945 441425274 /nfs/dbraw/zinc/42/52/74/441425274.db2.gz BQUBPVNHHIFNHR-IBGZPJMESA-N 1 0 339.443 1.989 50 0 EDAARO CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000065403866 441426565 /nfs/dbraw/zinc/42/65/65/441426565.db2.gz OCAVWJFLPZTXIH-CYBMUJFWSA-N 1 0 349.431 1.125 50 0 EDAARO CC(=O)NCCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000065407525 441428691 /nfs/dbraw/zinc/42/86/91/441428691.db2.gz XNBOVWNJWJNAPO-UHFFFAOYSA-N 1 0 343.880 1.866 50 0 EDAARO Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)N2CCOCC2)o1 ZINC000065444367 441435392 /nfs/dbraw/zinc/43/53/92/441435392.db2.gz ZOTYOIWAJXEBAN-DZGCQCFKSA-N 1 0 338.452 1.211 50 0 EDAARO CCc1nc(Cn2nc(CC3CC[NH2+]CC3)n(CC)c2=O)cs1 ZINC000065451591 441435944 /nfs/dbraw/zinc/43/59/44/441435944.db2.gz MCVUVJYKKKQHKI-UHFFFAOYSA-N 1 0 335.477 1.674 50 0 EDAARO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cnc2ccsc2c1=O ZINC000065515335 441449537 /nfs/dbraw/zinc/44/95/37/441449537.db2.gz BERJQNXQWRZDHR-AWEZNQCLSA-N 1 0 329.425 1.951 50 0 EDAARO C[N@H+](CCO)C[C@H]1COCCN1C(=O)Cc1cccc2ccccc21 ZINC000085470035 441443403 /nfs/dbraw/zinc/44/34/03/441443403.db2.gz CWSWNQDLIBUWLK-SFHVURJKSA-N 1 0 342.439 1.534 50 0 EDAARO C[C@@H](CNC(=O)N[C@@H](C)c1nncn1C)[N@@H+]1CCc2ccccc2C1 ZINC000065623117 441472574 /nfs/dbraw/zinc/47/25/74/441472574.db2.gz ZRKMIJCMONNOGI-KBPBESRZSA-N 1 0 342.447 1.622 50 0 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CC(C)n1cnc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000578732154 448620838 /nfs/dbraw/zinc/62/08/38/448620838.db2.gz OZZVDISFEDDLHH-LSDHHAIUSA-N 1 0 334.445 1.498 50 0 EDAARO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 ZINC000584884066 448662996 /nfs/dbraw/zinc/66/29/96/448662996.db2.gz TXDIGYDEBHIHHO-CYBMUJFWSA-N 1 0 348.472 1.049 50 0 EDAARO CCCN(C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)[C@H]1CC[NH2+]C1 ZINC000178925643 485495662 /nfs/dbraw/zinc/49/56/62/485495662.db2.gz RQNRNEZFBRPVRO-AWEZNQCLSA-N 1 0 339.461 1.165 50 0 EDAARO Nc1nnc(CCNC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)s1 ZINC000230542979 485842408 /nfs/dbraw/zinc/84/24/08/485842408.db2.gz VFCAVLRUCWHKDU-ZDUSSCGKSA-N 1 0 331.445 1.269 50 0 EDAARO C[NH+](C)[C@@H](CNC(=O)N1CCNC(=O)CC1)c1ccc(Cl)cc1 ZINC000083847694 486232663 /nfs/dbraw/zinc/23/26/63/486232663.db2.gz LGMBWMIOVFLDQA-AWEZNQCLSA-N 1 0 338.839 1.474 50 0 EDAARO CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000084752969 486283477 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Cc1nc(C(=O)NOC2CC[NH+](C)CC2)nn1-c1ccc(F)cc1 ZINC000808024986 593217027 /nfs/dbraw/zinc/21/70/27/593217027.db2.gz YCNDHZDFBOTWEC-UHFFFAOYSA-N 1 0 333.367 1.470 50 0 EDAARO Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000051185973 214081825 /nfs/dbraw/zinc/08/18/25/214081825.db2.gz XQBRVLMEZFFNEO-UHFFFAOYSA-N 1 0 347.459 1.338 50 0 EDAARO C[NH+]1CCN(CCNC(=O)c2cc3c(c(Cl)c2)OCO3)CC1 ZINC000053717939 214195313 /nfs/dbraw/zinc/19/53/13/214195313.db2.gz CRWLDUVDCRJEDY-UHFFFAOYSA-N 1 0 325.796 1.046 50 0 EDAARO COC(=O)c1ccc(NC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1Cl ZINC000097698751 219049747 /nfs/dbraw/zinc/04/97/47/219049747.db2.gz XEMZRGLKPAXYNR-WPRPVWTQSA-N 1 0 329.759 1.948 50 0 EDAARO O=C(Nc1cccc2n[nH]nc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000097742797 219052629 /nfs/dbraw/zinc/05/26/29/219052629.db2.gz CMPRGMRWHHAUAS-UHFFFAOYSA-N 1 0 330.392 1.286 50 0 EDAARO COCCN(C(=O)Nc1cccc(CC(N)=O)c1)C1CC[NH+](C)CC1 ZINC000097745235 219053771 /nfs/dbraw/zinc/05/37/71/219053771.db2.gz ZENFRHATFZZFCS-UHFFFAOYSA-N 1 0 348.447 1.289 50 0 EDAARO CC(C)[C@@H](CNS(=O)(=O)c1cccs1)N1CC[NH+](C)CC1 ZINC000049736955 214029832 /nfs/dbraw/zinc/02/98/32/214029832.db2.gz TUGNPCVDYSUFHL-CYBMUJFWSA-N 1 0 331.507 1.298 50 0 EDAARO COc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc(OC)c1OC ZINC000065529356 214947389 /nfs/dbraw/zinc/94/73/89/214947389.db2.gz XWDXLFYJBWRGSQ-UHFFFAOYSA-N 1 0 334.416 1.815 50 0 EDAARO [NH2+]=C(Nc1ccc2c(c1)OCCO2)Nc1nc2c(c(=O)[nH]1)CCC2 ZINC000003855604 210080261 /nfs/dbraw/zinc/08/02/61/210080261.db2.gz YQDLAYNTWHHDKX-UHFFFAOYSA-N 1 0 327.344 1.901 50 0 EDAARO COc1cc(F)c(S(=O)(=O)NCC(C)(C)[NH+](C)C)cc1OC ZINC000044936095 213678130 /nfs/dbraw/zinc/67/81/30/213678130.db2.gz WUAXVNASOAQMCV-UHFFFAOYSA-N 1 0 334.413 1.461 50 0 EDAARO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000003366094 210019063 /nfs/dbraw/zinc/01/90/63/210019063.db2.gz FKJRGJFTTGBHLP-OLZOCXBDSA-N 1 0 330.222 1.646 50 0 EDAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 ZINC000066992460 215101674 /nfs/dbraw/zinc/10/16/74/215101674.db2.gz JPEPCYNHCJPNDA-KRWDZBQOSA-N 1 0 336.399 1.695 50 0 EDAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCOCC3)C2=O)cc1 ZINC000102779162 219230307 /nfs/dbraw/zinc/23/03/07/219230307.db2.gz DIBPXBWYHZBCOW-INIZCTEOSA-N 1 0 332.400 1.876 50 0 EDAARO Cc1noc([C@]23CN(c4ncc(C)c(C)n4)C[C@H]2C[N@H+](C)CC3)n1 ZINC000685940345 539578298 /nfs/dbraw/zinc/57/82/98/539578298.db2.gz FRUDSNIXSQKVGL-RHSMWYFYSA-N 1 0 328.420 1.495 50 0 EDAARO CCNC(=O)[C@@]12C[N@H+](Cc3nc4ccccc4o3)C[C@H]1COCC2 ZINC000685940922 539578796 /nfs/dbraw/zinc/57/87/96/539578796.db2.gz ZYMWDFOFJJDYTD-UGSOOPFHSA-N 1 0 329.400 1.802 50 0 EDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cnn2c1 ZINC000067674404 215179502 /nfs/dbraw/zinc/17/95/02/215179502.db2.gz BMFORQIDQDFPCM-OKILXGFUSA-N 1 0 345.447 1.821 50 0 EDAARO CN(CC[NH+](C)C)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067804999 215216922 /nfs/dbraw/zinc/21/69/22/215216922.db2.gz VUHVSVZBHMTWBX-SFHVURJKSA-N 1 0 337.439 1.173 50 0 EDAARO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1CCCO ZINC000067866920 215235179 /nfs/dbraw/zinc/23/51/79/215235179.db2.gz UECHSGQSUWTZRG-SFHVURJKSA-N 1 0 349.406 1.041 50 0 EDAARO CC[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cccc3nonc32)C1 ZINC000067974530 215263533 /nfs/dbraw/zinc/26/35/33/215263533.db2.gz MXZHWKQRPLLEFT-GFCCVEGCSA-N 1 0 338.433 1.623 50 0 EDAARO CC(=O)N(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000068476022 215310646 /nfs/dbraw/zinc/31/06/46/215310646.db2.gz ZVSUQOOIKFOKRA-UHFFFAOYSA-N 1 0 325.840 1.709 50 0 EDAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)N1CCOCC1 ZINC000040536496 213341085 /nfs/dbraw/zinc/34/10/85/213341085.db2.gz JGPCFLZJNKULCH-OAHLLOKOSA-N 1 0 343.431 1.509 50 0 EDAARO CC[NH+](CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000001542927 209758325 /nfs/dbraw/zinc/75/83/25/209758325.db2.gz JTVPZMFULRWINT-UHFFFAOYSA-N 1 0 328.434 1.170 50 0 world EDAARO Cn1c(=O)cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)n(C)c1=O ZINC000040046912 213254465 /nfs/dbraw/zinc/25/44/65/213254465.db2.gz MALNLMYTMVZQQU-GOSISDBHSA-N 1 0 343.427 1.030 50 0 EDAARO Cc1nnsc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000038592770 213215642 /nfs/dbraw/zinc/21/56/42/213215642.db2.gz PWZGRPKSFWZOQW-UHFFFAOYSA-N 1 0 345.472 1.789 50 0 EDAARO O[C@H](C[NH2+][C@@H]1CCc2ncnn2C1)COc1ccc2ccccc2c1 ZINC000069815396 215593030 /nfs/dbraw/zinc/59/30/30/215593030.db2.gz JJEZKTVKBAKLJD-IAGOWNOFSA-N 1 0 338.411 1.776 50 0 EDAARO CCN(Cc1cccc(F)c1)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000069951538 215644014 /nfs/dbraw/zinc/64/40/14/215644014.db2.gz YLQBVUDSJAMRHQ-QGZVFWFLSA-N 1 0 337.439 1.437 50 0 EDAARO NC(=O)C1CC[NH+](CCC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000028851917 283282942 /nfs/dbraw/zinc/28/29/42/283282942.db2.gz SZPUFSGWSAHNPZ-UHFFFAOYSA-N 1 0 333.436 1.524 50 0 EDAARO CC[NH+](CC)Cc1c(C(=O)c2ccc(F)cc2)c(=O)n(C)c(=O)n1C ZINC000036352898 213087889 /nfs/dbraw/zinc/08/78/89/213087889.db2.gz MUUQPPUPPOQISW-UHFFFAOYSA-N 1 0 347.390 1.296 50 0 EDAARO Cn1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c(-c2cccnc2)n1 ZINC000071825202 215856142 /nfs/dbraw/zinc/85/61/42/215856142.db2.gz MHTIFIABUFUIPC-UHFFFAOYSA-N 1 0 339.443 1.973 50 0 EDAARO O=C(CCC[NH+]1CCCC1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000072126334 216017975 /nfs/dbraw/zinc/01/79/75/216017975.db2.gz OVQVRVKUZZTEHU-KRWDZBQOSA-N 1 0 347.434 1.919 50 0 EDAARO CN(Cc1cc2n(n1)CC[NH2+]C2)C[C@@H]1CCN(c2ccccc2)C1 ZINC000072131987 216021286 /nfs/dbraw/zinc/02/12/86/216021286.db2.gz ZCOVFPUXTRAOBH-INIZCTEOSA-N 1 0 325.460 1.945 50 0 EDAARO O[C@H]1[C@H](n2cc(-c3ccccn3)nn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072133176 216022004 /nfs/dbraw/zinc/02/20/04/216022004.db2.gz DTPUYWUUQJIMEX-MOPGFXCFSA-N 1 0 347.422 1.925 50 0 EDAARO CN(C)c1ccc(CCC(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)cc1 ZINC000072145951 216031823 /nfs/dbraw/zinc/03/18/23/216031823.db2.gz UIPULNCUIVQYDU-HXUWFJFHSA-N 1 0 347.503 1.990 50 0 EDAARO COc1cc(C[N@@H+]2CC3(C[C@H]2C(=O)[O-])CC[NH2+]CC3)cc(OC)c1 ZINC000072149281 216037194 /nfs/dbraw/zinc/03/71/94/216037194.db2.gz KPIKRJKOAWDJQD-INIZCTEOSA-N 1 0 334.416 1.733 50 0 EDAARO C[C@@H]1CN(C2(C(=O)NCC[NH+](C)C)Cc3ccccc3C2)C[C@H](C)O1 ZINC000072162230 216050366 /nfs/dbraw/zinc/05/03/66/216050366.db2.gz ZKFIDCFOSBIPPP-IYBDPMFKSA-N 1 0 345.487 1.311 50 0 EDAARO Cc1nn(CCO)cc1CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000072167240 216056755 /nfs/dbraw/zinc/05/67/55/216056755.db2.gz JCZTXHALACRFEW-UHFFFAOYSA-N 1 0 328.460 1.810 50 0 EDAARO O=C(NCc1ccncc1)[C@H]1C[N@@H+](C2Cc3ccccc3C2)CCN1 ZINC000072170583 216061965 /nfs/dbraw/zinc/06/19/65/216061965.db2.gz BARWMGKPYKHCKE-LJQANCHMSA-N 1 0 336.439 1.139 50 0 EDAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(-n3cnnc3)cc2Cl)C1 ZINC000072174141 216065193 /nfs/dbraw/zinc/06/51/93/216065193.db2.gz VUIQCWZIOINADU-MRXNPFEDSA-N 1 0 349.822 1.059 50 0 EDAARO C[NH+](C)CCOC1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000072280932 216107949 /nfs/dbraw/zinc/10/79/49/216107949.db2.gz NRBJQMVLBBCMFO-UHFFFAOYSA-N 1 0 349.431 1.668 50 0 EDAARO Cc1ccccc1-c1noc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000106868057 219711362 /nfs/dbraw/zinc/71/13/62/219711362.db2.gz PZZKVCTZPLMFSK-GJZGRUSLSA-N 1 0 330.432 1.932 50 0 EDAARO Cc1nc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)cc(N2CCCC2)n1 ZINC000072419517 216207452 /nfs/dbraw/zinc/20/74/52/216207452.db2.gz UULLEISYUYXXTA-HNNXBMFYSA-N 1 0 331.464 1.653 50 0 EDAARO Cc1nc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)cc(N2CCCC2)n1 ZINC000072419516 216207786 /nfs/dbraw/zinc/20/77/86/216207786.db2.gz UULLEISYUYXXTA-OAHLLOKOSA-N 1 0 331.464 1.653 50 0 EDAARO Cc1cc(S(=O)(=O)NC[C@@H]2CC[NH2+]C[C@H]2O)c(C)cc1Cl ZINC000072423100 216211505 /nfs/dbraw/zinc/21/15/05/216211505.db2.gz VPLCLHIUIAUGPB-WCQYABFASA-N 1 0 332.853 1.206 50 0 EDAARO COCc1cc(CNc2nc(NC3CC3)nc3c2CC[NH2+]CC3)[nH]n1 ZINC000072435720 216231456 /nfs/dbraw/zinc/23/14/56/216231456.db2.gz IKMFXFGWUSCBMR-UHFFFAOYSA-N 1 0 343.435 1.221 50 0 EDAARO c1cnn(C2CN(c3nc(-c4ccncc4)nc4c3CC[NH2+]CC4)C2)c1 ZINC000072474704 216251624 /nfs/dbraw/zinc/25/16/24/216251624.db2.gz GMLHSYBNYHTGPR-UHFFFAOYSA-N 1 0 347.426 1.485 50 0 EDAARO CN1CC[N@@H+]2C[C@@H](NC(=O)c3ccc(CCC(C)(C)O)cc3)C[C@H]2C1 ZINC000072480240 216259839 /nfs/dbraw/zinc/25/98/39/216259839.db2.gz BQDWZHDZHMRKLE-ROUUACIJSA-N 1 0 345.487 1.508 50 0 EDAARO Cc1ncsc1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000073422732 216384988 /nfs/dbraw/zinc/38/49/88/216384988.db2.gz WBOGFEFJJKUNJU-UHFFFAOYSA-N 1 0 345.472 1.675 50 0 EDAARO Cc1ccn(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(=O)c1 ZINC000194693682 240678944 /nfs/dbraw/zinc/67/89/44/240678944.db2.gz OATSIZTXOKOVSZ-UHFFFAOYSA-N 1 0 347.459 1.308 50 0 EDAARO COc1ccc(CN(C)C(=O)C[C@@H]2C[NH2+]CCO2)c2cccnc12 ZINC000216099112 241162814 /nfs/dbraw/zinc/16/28/14/241162814.db2.gz KUDLGXHBVQEGLV-CQSZACIVSA-N 1 0 329.400 1.580 50 0 EDAARO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1C ZINC000229544229 242174159 /nfs/dbraw/zinc/17/41/59/242174159.db2.gz SIUYCCNESLBKGT-AVGNSLFASA-N 1 0 340.855 1.449 50 0 EDAARO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000229623941 242186020 /nfs/dbraw/zinc/18/60/20/242186020.db2.gz WJDJKUAYFICKKC-CHWSQXEVSA-N 1 0 343.431 1.977 50 0 EDAARO CSC[C@@H](O)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000230195620 242247979 /nfs/dbraw/zinc/24/79/79/242247979.db2.gz SFEVBJASJXHLKC-UONOGXRCSA-N 1 0 330.519 1.777 50 0 EDAARO COc1ccc(Cl)cc1C(=O)N1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000020995430 212196185 /nfs/dbraw/zinc/19/61/85/212196185.db2.gz HMMWQCXFBJTUND-UHFFFAOYSA-N 1 0 349.822 1.876 50 0 EDAARO CC(C)(C)n1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)nn1 ZINC000242389664 243021996 /nfs/dbraw/zinc/02/19/96/243021996.db2.gz ZZKBMSVQBUVVJW-UHFFFAOYSA-N 1 0 341.481 1.079 50 0 EDAARO Cc1cc(N)n(CC(=O)NCC[NH+]2CCC(c3ccccc3)CC2)n1 ZINC000244893063 243100774 /nfs/dbraw/zinc/10/07/74/243100774.db2.gz YUUPGFNQHNUBTC-UHFFFAOYSA-N 1 0 341.459 1.770 50 0 EDAARO C[C@@H](c1ccc2c(c1)OCCO2)[N@H+](C)CCc1c[nH]c(=O)n(C)c1=O ZINC000253536519 244012721 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Cc1c[nH+]ccc1N1CCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 ZINC000426438646 447444883 /nfs/dbraw/zinc/44/48/83/447444883.db2.gz LEQUCZAKXIASLR-CQSZACIVSA-N 1 0 340.431 1.593 50 0 EDAARO CNS(=O)(=O)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000069696440 442011127 /nfs/dbraw/zinc/01/11/27/442011127.db2.gz CEDQQJCXMLEPEU-UHFFFAOYSA-N 1 0 343.424 1.168 50 0 EDAARO Cc1ccc([C@H](CNC(=O)CCN2C(=O)CCC2=O)[NH+]2CCCC2)o1 ZINC000069707332 442018877 /nfs/dbraw/zinc/01/88/77/442018877.db2.gz XLOSCACPOSAZRM-AWEZNQCLSA-N 1 0 347.415 1.380 50 0 EDAARO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2)CCN1Cc1nccn1C ZINC000069702749 442014526 /nfs/dbraw/zinc/01/45/26/442014526.db2.gz MIOVRHRMXMBWNI-IRXDYDNUSA-N 1 0 344.459 1.366 50 0 EDAARO C[NH+](C)CCOc1ccccc1C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000069771897 442035232 /nfs/dbraw/zinc/03/52/32/442035232.db2.gz WLLWAOVNAHHTMD-UHFFFAOYSA-N 1 0 349.475 1.156 50 0 EDAARO O[C@@H](C[NH2+]CCN1CCOCC1)CO[C@@H]1CCCc2ccccc21 ZINC000096121169 442038684 /nfs/dbraw/zinc/03/86/84/442038684.db2.gz JQLAFNNWVHJEGS-PKOBYXMFSA-N 1 0 334.460 1.363 50 0 EDAARO COc1ccccc1[C@H](C)NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000069840957 442051652 /nfs/dbraw/zinc/05/16/52/442051652.db2.gz UCMADSWZCLTTSW-LSDHHAIUSA-N 1 0 335.448 1.135 50 0 EDAARO CCOCC[N@@H+]1CCN(Cc2nnnn2-c2ccccc2)C[C@H]1CC ZINC000069840581 442052176 /nfs/dbraw/zinc/05/21/76/442052176.db2.gz VVWWGGWHNBLGOB-MRXNPFEDSA-N 1 0 344.463 1.595 50 0 EDAARO CC(=O)N1CCC(C[NH+]2CCN(C[C@@H](O)C(C)(C)C)CC2)CC1 ZINC000069870856 442062642 /nfs/dbraw/zinc/06/26/42/442062642.db2.gz MXYOWGQLFSISOB-QGZVFWFLSA-N 1 0 325.497 1.270 50 0 EDAARO O=C(CC[NH2+]Cc1cccc(O)c1)N1CCN(c2ccccn2)CC1 ZINC000069874518 442063641 /nfs/dbraw/zinc/06/36/41/442063641.db2.gz WRWONUBJJORUKV-UHFFFAOYSA-N 1 0 340.427 1.616 50 0 EDAARO C[N@H+](CCCN1CCOC1=O)CCN1CCN(c2ccccc2)CC1 ZINC000096414992 442119664 /nfs/dbraw/zinc/11/96/64/442119664.db2.gz HPZGLNPIPOKNQM-UHFFFAOYSA-N 1 0 346.475 1.583 50 0 EDAARO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000097096628 442167512 /nfs/dbraw/zinc/16/75/12/442167512.db2.gz BGEIZCRAYBUZFH-FUHWJXTLSA-N 1 0 345.491 1.782 50 0 EDAARO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1OC ZINC000097104499 442169703 /nfs/dbraw/zinc/16/97/03/442169703.db2.gz OLFJVEGDCYEGDE-UKRRQHHQSA-N 1 0 336.432 1.065 50 0 EDAARO C[C@H](C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)n1cncn1 ZINC000097107869 442170339 /nfs/dbraw/zinc/17/03/39/442170339.db2.gz FQGGZOKZVSWGQA-CYBMUJFWSA-N 1 0 343.431 1.607 50 0 EDAARO Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000097159942 442176606 /nfs/dbraw/zinc/17/66/06/442176606.db2.gz JRAXMOAIFKMLLY-UHFFFAOYSA-N 1 0 340.431 1.422 50 0 EDAARO C[NH+](C)[C@H](CNc1ncnc2c1cnn2CCO)c1cccs1 ZINC000097199660 442182722 /nfs/dbraw/zinc/18/27/22/442182722.db2.gz KWZGYGLQDJNKCA-GFCCVEGCSA-N 1 0 332.433 1.595 50 0 EDAARO O=S(=O)(CC[NH2+][C@@H]1CCCc2cc(F)ccc21)N1CCOCC1 ZINC000097033399 442158112 /nfs/dbraw/zinc/15/81/12/442158112.db2.gz CXRSQAKJUJDHIN-MRXNPFEDSA-N 1 0 342.436 1.455 50 0 EDAARO CN(CC(=O)N1CCC(O)CC1)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000097048634 442159999 /nfs/dbraw/zinc/15/99/99/442159999.db2.gz PRONGGSGLPPHMD-SFHVURJKSA-N 1 0 345.487 1.219 50 0 EDAARO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000097085745 442164928 /nfs/dbraw/zinc/16/49/28/442164928.db2.gz QCXRFKXYOVHBPS-JKSUJKDBSA-N 1 0 326.396 1.773 50 0 EDAARO CN(C)c1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000172463832 442468263 /nfs/dbraw/zinc/46/82/63/442468263.db2.gz OQYWIAMBTXOKHZ-UHFFFAOYSA-N 1 0 331.460 1.937 50 0 EDAARO CC(C)c1nc(C(=O)N(C)[C@@H]2CC[NH2+]C2)nn1-c1ccccc1F ZINC000179094513 442571210 /nfs/dbraw/zinc/57/12/10/442571210.db2.gz CWAFILOFFDZTFK-GFCCVEGCSA-N 1 0 331.395 1.964 50 0 EDAARO Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)nnn1-c1cccc2cccnc21 ZINC000158016326 442637804 /nfs/dbraw/zinc/63/78/04/442637804.db2.gz QCSKUUOLCURIIE-AWEZNQCLSA-N 1 0 336.399 1.687 50 0 EDAARO C[N@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000247348906 442849227 /nfs/dbraw/zinc/84/92/27/442849227.db2.gz OSXIZMQNKNNKEY-RBUKOAKNSA-N 1 0 333.476 1.280 50 0 EDAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000249252686 442961558 /nfs/dbraw/zinc/96/15/58/442961558.db2.gz YAFFZWCYLORVJG-RDJZCZTQSA-N 1 0 344.459 1.776 50 0 EDAARO O=C(CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)N1CCc2ccccc2C1 ZINC000249368961 442968707 /nfs/dbraw/zinc/96/87/07/442968707.db2.gz MYVMSWPPHKSGOO-MOPGFXCFSA-N 1 0 344.455 1.841 50 0 EDAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000249425662 442973784 /nfs/dbraw/zinc/97/37/84/442973784.db2.gz DPBVMQDOLNDKPF-JHNDHUHGSA-N 1 0 344.459 1.331 50 0 EDAARO COc1cccc(C[C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252477123 443025199 /nfs/dbraw/zinc/02/51/99/443025199.db2.gz INFREFJVDBIQKN-ZVZYQTTQSA-N 1 0 347.459 1.789 50 0 EDAARO CCc1nnc(NC(=O)CCN2CC([N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000252481533 443027449 /nfs/dbraw/zinc/02/74/49/443027449.db2.gz CNOXHPLUJHOKKQ-GFCCVEGCSA-N 1 0 337.493 1.988 50 0 EDAARO CS[C@@H]1CN(S(=O)(=O)c2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000252487382 443029894 /nfs/dbraw/zinc/02/98/94/443029894.db2.gz WBMPILVIYQLYQB-VXGBXAGGSA-N 1 0 332.516 1.948 50 0 EDAARO O=C(C[NH+]1CCCCCC1)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O ZINC000252496988 443033860 /nfs/dbraw/zinc/03/38/60/443033860.db2.gz PXCZSJCROQPMJV-QZTJIDSGSA-N 1 0 346.475 1.009 50 0 EDAARO Cc1nc(NCCCOC2CC[NH+](C)CC2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000252522847 443041193 /nfs/dbraw/zinc/04/11/93/443041193.db2.gz BHJHENXQNSKRLN-GASCZTMLSA-N 1 0 334.464 1.936 50 0 EDAARO Nc1nc(N2CCC(O)(c3cccnc3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252536477 443042100 /nfs/dbraw/zinc/04/21/00/443042100.db2.gz IRKBCPDDONLPCF-XBXGTLAGSA-N 1 0 341.415 1.180 50 0 EDAARO Cc1nc(C)n(CCNc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)n1 ZINC000252539139 443042225 /nfs/dbraw/zinc/04/22/25/443042225.db2.gz NTYVEUUDADRSBB-HDJSIYSDSA-N 1 0 327.436 1.879 50 0 EDAARO C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000252671806 443046078 /nfs/dbraw/zinc/04/60/78/443046078.db2.gz OIJJZDOCQZTIOV-GXTWGEPZSA-N 1 0 340.445 1.217 50 0 EDAARO C[C@]1([C@H]2CCC[N@H+](CC[S@@](=O)c3ccccc3)C2)NC(=O)NC1=O ZINC000205946508 443047924 /nfs/dbraw/zinc/04/79/24/443047924.db2.gz IJDCGQSNTNXEKF-MYNNUHBYSA-N 1 0 349.456 1.104 50 0 EDAARO CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000223452856 443090341 /nfs/dbraw/zinc/09/03/41/443090341.db2.gz WVDLYOPDMIFJEI-IYWMVGAKSA-N 1 0 329.488 1.958 50 0 EDAARO COc1coc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1=O ZINC000253395771 443054888 /nfs/dbraw/zinc/05/48/88/443054888.db2.gz QWXODUNJXAWKIC-TZMCWYRMSA-N 1 0 332.400 1.737 50 0 EDAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)cc1F ZINC000220428268 443065136 /nfs/dbraw/zinc/06/51/36/443065136.db2.gz ZPGKYUUGWJTJSK-HUUCEWRRSA-N 1 0 344.814 1.945 50 0 EDAARO O=C(CC1CCCCC1)NC1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000253427671 443066876 /nfs/dbraw/zinc/06/68/76/443066876.db2.gz AKZMDERMBACMLK-GOSISDBHSA-N 1 0 339.455 1.766 50 0 EDAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)NC1CCOCC1 ZINC000225557312 443112090 /nfs/dbraw/zinc/11/20/90/443112090.db2.gz ZZWLYRXOBFMFQG-HNNXBMFYSA-N 1 0 327.494 1.682 50 0 EDAARO COCc1noc([C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@H]2CO)n1 ZINC000257185047 443119099 /nfs/dbraw/zinc/11/90/99/443119099.db2.gz JDFDCOFGPVQEAC-LSDHHAIUSA-N 1 0 345.399 1.359 50 0 EDAARO Cc1cc(C)cc(NC(=O)NC[C@@]2(N3CCOCC3)CCOC2)c1 ZINC000257185525 443119530 /nfs/dbraw/zinc/11/95/30/443119530.db2.gz JOJHDOMVNULXPT-SFHVURJKSA-N 1 0 333.432 1.916 50 0 EDAARO CC(=O)N1CC[C@H](c2nnc3n2CC[N@@H+](Cc2ccccc2)CC3)C1 ZINC000257188699 443120754 /nfs/dbraw/zinc/12/07/54/443120754.db2.gz MYRBAQGUEMDKBS-KRWDZBQOSA-N 1 0 339.443 1.672 50 0 EDAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000229557558 443128961 /nfs/dbraw/zinc/12/89/61/443128961.db2.gz UQGTTXCERDQHPC-BRWVUGGUSA-N 1 0 346.427 1.924 50 0 EDAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000237394437 443170726 /nfs/dbraw/zinc/17/07/26/443170726.db2.gz JVJKPZGXUSWBKC-GDBMZVCRSA-N 1 0 338.473 1.372 50 0 EDAARO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cnn(C)c3)cc2)C[C@H](C)O1 ZINC000237549527 443175218 /nfs/dbraw/zinc/17/52/18/443175218.db2.gz BQSCCEJCJDXUBQ-GJZGRUSLSA-N 1 0 342.443 1.959 50 0 EDAARO Cc1c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)nnn1C1CC[NH2+]CC1 ZINC000237749152 443181404 /nfs/dbraw/zinc/18/14/04/443181404.db2.gz AWJBIOXJLYZQSU-LSDHHAIUSA-N 1 0 333.436 1.295 50 0 EDAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000237940984 443189633 /nfs/dbraw/zinc/18/96/33/443189633.db2.gz NNOMXUPPNXEOEX-HUUCEWRRSA-N 1 0 335.835 1.638 50 0 EDAARO C[N@H+](CC(=O)NCc1ccc(Br)cc1)[C@@H]1CCC[C@H]1O ZINC000245289957 443220112 /nfs/dbraw/zinc/22/01/12/443220112.db2.gz GHHHDWRPTCPFFC-ZIAGYGMSSA-N 1 0 341.249 1.911 50 0 EDAARO Cc1ccc(C[C@@H](CO)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000191043778 443229964 /nfs/dbraw/zinc/22/99/64/443229964.db2.gz DFVJQJFQXJSJAH-HKUYNNGSSA-N 1 0 346.471 1.658 50 0 EDAARO 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CC(C)c1ccccc1OCCOC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000022466258 212299498 /nfs/dbraw/zinc/29/94/98/212299498.db2.gz JWIZLHCXFLPNAY-QGZVFWFLSA-N 1 0 336.476 1.814 50 0 EDAARO CC1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CN(C)C(=O)CO3)o2)CC1 ZINC000219323323 241380972 /nfs/dbraw/zinc/38/09/72/241380972.db2.gz SKRYLTXYQYMILS-OAHLLOKOSA-N 1 0 349.431 1.099 50 0 EDAARO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229531492 242175504 /nfs/dbraw/zinc/17/55/04/242175504.db2.gz ATMORZMTFGEGMM-SJLPKXTDSA-N 1 0 341.459 1.738 50 0 EDAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000238099070 242932843 /nfs/dbraw/zinc/93/28/43/242932843.db2.gz MLBPTEKZZIZRGW-KBPBESRZSA-N 1 0 343.349 1.077 50 0 EDAARO Nc1nc(NCCC(=O)Nc2ccccc2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244715822 243064142 /nfs/dbraw/zinc/06/41/42/243064142.db2.gz LDBXTHRPHDRAMH-TXEJJXNPSA-N 1 0 326.404 1.704 50 0 EDAARO [NH3+][C@H]1C[C@@H](c2nnc(CN3CCC(n4cnnc4)CC3)n2C2CC2)C1 ZINC000243932286 243032732 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CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)o1 ZINC000078892283 217140857 /nfs/dbraw/zinc/14/08/57/217140857.db2.gz YIROOSRFVNAEPO-INIZCTEOSA-N 1 0 345.447 1.636 50 0 EDAARO COc1ccc(OCC[NH2+]CC(=O)NCc2ccccc2OC)cc1 ZINC000016695478 211929761 /nfs/dbraw/zinc/92/97/61/211929761.db2.gz YDIKBRASJUKNOG-UHFFFAOYSA-N 1 0 344.411 1.989 50 0 EDAARO COc1cccc(C[C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000079036385 217178356 /nfs/dbraw/zinc/17/83/56/217178356.db2.gz INFREFJVDBIQKN-LESCRADOSA-N 1 0 347.459 1.789 50 0 EDAARO CN(CCc1ccccn1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000078999351 217171156 /nfs/dbraw/zinc/17/11/56/217171156.db2.gz ILJOZSTZQZWPOG-UHFFFAOYSA-N 1 0 339.443 1.543 50 0 EDAARO COCC[N@@H+]1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1 ZINC000079289736 217204387 /nfs/dbraw/zinc/20/43/87/217204387.db2.gz XXVPZGBJLQGDDG-UHFFFAOYSA-N 1 0 329.444 1.902 50 0 EDAARO O=C(COC1CC[NH2+]CC1)NCc1cc(F)ccc1Br ZINC000111796625 220191608 /nfs/dbraw/zinc/19/16/08/220191608.db2.gz 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EDAARO Cc1nc(C)n(CCNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)n1 ZINC000095362099 218295902 /nfs/dbraw/zinc/29/59/02/218295902.db2.gz YWAXQJLGQFHMLN-KRWDZBQOSA-N 1 0 327.432 1.792 50 0 EDAARO CC(C)[NH+]1CCC(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000095368985 218301053 /nfs/dbraw/zinc/30/10/53/218301053.db2.gz YYUAONNENAKVAR-KRWDZBQOSA-N 1 0 348.491 1.813 50 0 EDAARO Cc1nc(CCNC(=O)C2CC[NH+](C3CCCCC3)CC2)cc(=O)[nH]1 ZINC000095384724 218316910 /nfs/dbraw/zinc/31/69/10/218316910.db2.gz VPCSNLDIVUIMSI-UHFFFAOYSA-N 1 0 346.475 1.782 50 0 EDAARO CSc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000095386117 218318138 /nfs/dbraw/zinc/31/81/38/218318138.db2.gz JGHWCIIKPGOLOF-AWEZNQCLSA-N 1 0 335.473 1.435 50 0 EDAARO Cc1cc(CC(=O)NCc2cc(F)ccc2N2CC[NH+](C)CC2)no1 ZINC000095397163 218328936 /nfs/dbraw/zinc/32/89/36/218328936.db2.gz DYQMYSSDKSDFHX-UHFFFAOYSA-N 1 0 346.406 1.733 50 0 EDAARO Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000095411167 218348289 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O=C(Cc1cccc(O)c1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000097236735 219003593 /nfs/dbraw/zinc/00/35/93/219003593.db2.gz MMVZKGDHPJDSRY-LJQANCHMSA-N 1 0 340.423 1.470 50 0 EDAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cnc(N3CCOCC3)nc2)C1 ZINC000097402341 219021849 /nfs/dbraw/zinc/02/18/49/219021849.db2.gz SJPWVNKYKMFSFT-AWEZNQCLSA-N 1 0 345.447 1.012 50 0 EDAARO COc1ccc(-n2cccn2)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097600988 219038793 /nfs/dbraw/zinc/03/87/93/219038793.db2.gz YPQUOJFQLAYWLD-QGZVFWFLSA-N 1 0 341.459 1.360 50 0 EDAARO COc1ccc(C(=O)NCCn2cc(Cl)cn2)c(OCC[NH3+])c1 ZINC000426393066 254490722 /nfs/dbraw/zinc/49/07/22/254490722.db2.gz RKPNABYMBZHQEJ-UHFFFAOYSA-N 1 0 338.795 1.313 50 0 EDAARO CCC1(CC)[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H]1OC ZINC000236652387 258005431 /nfs/dbraw/zinc/00/54/31/258005431.db2.gz OYQVGBWESPYYOJ-CABCVRRESA-N 1 0 335.452 1.526 50 0 EDAARO Cc1cc(C)nc(-n2cc(C(=O)N3CC[C@@H](C[NH3+])C3)c(C(C)C)n2)n1 ZINC000299738534 258010698 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CCc1nnsc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000042580130 441751618 /nfs/dbraw/zinc/75/16/18/441751618.db2.gz XEAHTQFORWNUKV-CYBMUJFWSA-N 1 0 325.482 1.102 50 0 EDAARO O=C(CNC(=O)c1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077357534 441762717 /nfs/dbraw/zinc/76/27/17/441762717.db2.gz ULRVTMNMLYOULQ-UHFFFAOYSA-N 1 0 329.444 1.893 50 0 EDAARO CNS(=O)(=O)CCCN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000077371319 441765967 /nfs/dbraw/zinc/76/59/67/441765967.db2.gz BHNJVVULMOMXOV-MRXNPFEDSA-N 1 0 339.505 1.522 50 0 EDAARO Cn1c2ccc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)cc2n(C)c1=O ZINC000077380322 441767438 /nfs/dbraw/zinc/76/74/38/441767438.db2.gz WHNNXXYVGFEZOA-HNNXBMFYSA-N 1 0 345.443 1.695 50 0 EDAARO CN(Cc1csc(-c2ccccc2)n1)C[C@@]1(O)C[NH2+]CCOC1 ZINC000077424728 441776425 /nfs/dbraw/zinc/77/64/25/441776425.db2.gz YOIQVUMOKMIWNO-KRWDZBQOSA-N 1 0 333.457 1.593 50 0 EDAARO O[C@]1(C[NH+]2CCCC2)COCCN(c2cnc3ccccc3n2)C1 ZINC000077505531 441793622 /nfs/dbraw/zinc/79/36/22/441793622.db2.gz 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CCCc1cncnc1N1CCC([NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000095525996 441948810 /nfs/dbraw/zinc/94/88/10/441948810.db2.gz XGMYSFAFAHRNOQ-AWEZNQCLSA-N 1 0 329.452 1.668 50 0 EDAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)N1CCN(CCO)CC1 ZINC000095525352 441949148 /nfs/dbraw/zinc/94/91/48/441949148.db2.gz LMTLQJFDSNUHDH-UHFFFAOYSA-N 1 0 346.475 1.814 50 0 EDAARO CCc1noc2ncc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc12 ZINC000095940990 441954578 /nfs/dbraw/zinc/95/45/78/441954578.db2.gz CKMFRDYAFPJIPM-UHFFFAOYSA-N 1 0 340.449 1.748 50 0 EDAARO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C)C1 ZINC000095967686 441963145 /nfs/dbraw/zinc/96/31/45/441963145.db2.gz NNBOPTVURRHATI-YOEHRIQHSA-N 1 0 339.505 1.697 50 0 EDAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(OC)c3c(c1)OCCO3)CC2 ZINC000069621162 441992983 /nfs/dbraw/zinc/99/29/83/441992983.db2.gz UIPDQTBKHFVAJI-ZDUSSCGKSA-N 1 0 344.415 1.725 50 0 EDAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)no1 ZINC000069624573 441993780 /nfs/dbraw/zinc/99/37/80/441993780.db2.gz PKFLTLIHIRFFEP-AAEUAGOBSA-N 1 0 348.407 1.256 50 0 EDAARO C[C@H](O)C[NH+]1CCC(CN(C)Cc2nccn2CC(F)(F)F)CC1 ZINC000069658771 442004345 /nfs/dbraw/zinc/00/43/45/442004345.db2.gz MEWDYXSJPZPOCY-ZDUSSCGKSA-N 1 0 348.413 1.970 50 0 EDAARO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1CC ZINC000069697982 442011577 /nfs/dbraw/zinc/01/15/77/442011577.db2.gz ZSFOIGWOFAAFQT-LSDHHAIUSA-N 1 0 335.452 1.236 50 0 EDAARO CO[C@@H](C[NH2+]C[C@H]1CNc2c(C(N)=O)cnn2C1)c1ccccc1 ZINC000069739565 442026307 /nfs/dbraw/zinc/02/63/07/442026307.db2.gz SHJICEIHRHTEMD-WFASDCNBSA-N 1 0 329.404 1.001 50 0 EDAARO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2cccc(F)c2)CC1 ZINC000069741801 442028817 /nfs/dbraw/zinc/02/88/17/442028817.db2.gz QSIQGTJIKRHWHB-QGZVFWFLSA-N 1 0 349.450 1.833 50 0 EDAARO Cc1nnc2n1CCN(C(=O)[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC000069742775 442029511 /nfs/dbraw/zinc/02/95/11/442029511.db2.gz XXULHWSTIGAURO-KRWDZBQOSA-N 1 0 325.416 1.766 50 0 EDAARO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 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331.464 1.815 50 0 EDAARO CC[NH+](CC)CCCNC(=O)c1c(O)nc2c(C)cccn2c1=O ZINC000020356042 212122462 /nfs/dbraw/zinc/12/24/62/212122462.db2.gz QZBPLJLVHKFWAF-UHFFFAOYSA-N 1 0 332.404 1.170 50 0 EDAARO CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020232680 212113526 /nfs/dbraw/zinc/11/35/26/212113526.db2.gz MYHVLLKAKXNNDP-INIZCTEOSA-N 1 0 336.432 1.319 50 0 EDAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC000078497761 217064001 /nfs/dbraw/zinc/06/40/01/217064001.db2.gz UMSGEPOOHHARSC-LBPRGKRZSA-N 1 0 329.400 1.420 50 0 EDAARO Cc1nnc([C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CCO2)[nH]1 ZINC000078894255 217140044 /nfs/dbraw/zinc/14/00/44/217140044.db2.gz WDGSUSPSNNOSJY-OAHLLOKOSA-N 1 0 329.404 1.388 50 0 EDAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000078926050 217148750 /nfs/dbraw/zinc/14/87/50/217148750.db2.gz BXPLZHCPFKJZHN-OAHLLOKOSA-N 1 0 338.496 1.761 50 0 EDAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000078925367 217149226 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COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC000092098236 218118534 /nfs/dbraw/zinc/11/85/34/218118534.db2.gz SRAAJEHLGMNHKQ-HUUCEWRRSA-N 1 0 348.443 1.480 50 0 EDAARO CC[NH+](CC)CCCNC(=O)COCC(=O)Nc1ccc(F)cc1 ZINC000009763673 211122521 /nfs/dbraw/zinc/12/25/21/211122521.db2.gz YMBWUQINSNMCFH-UHFFFAOYSA-N 1 0 339.411 1.629 50 0 EDAARO C[N@@H+]1CCN(C(=O)OCc2ccccc2)C[C@]12CCNC(=O)CC2 ZINC000095353838 218287762 /nfs/dbraw/zinc/28/77/62/218287762.db2.gz DVWPLHMESJOTPC-SFHVURJKSA-N 1 0 331.416 1.610 50 0 EDAARO NC(=O)CCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095358513 218291842 /nfs/dbraw/zinc/29/18/42/218291842.db2.gz ILOQEJWWPLTAAA-KFKAGJAMSA-N 1 0 345.418 1.480 50 0 EDAARO OC[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@H]1CN1CCC(O)CC1 ZINC000095359096 218292239 /nfs/dbraw/zinc/29/22/39/218292239.db2.gz FLCMSOZEMNUBAC-QZTJIDSGSA-N 1 0 330.472 1.151 50 0 EDAARO C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc3sccc3c2)CC1=O ZINC000095364667 218298238 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O=C(c1ccn(-c2ccccc2F)n1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262038642 139245856 /nfs/dbraw/zinc/24/58/56/139245856.db2.gz KXYNTGNJNDVQPV-CQSZACIVSA-N 1 0 343.406 1.131 50 0 EDAARO O[C@H](C[NH2+]CCN1CCOCC1)CO[C@H]1CCCc2ccccc21 ZINC000096121166 218612751 /nfs/dbraw/zinc/61/27/51/218612751.db2.gz JQLAFNNWVHJEGS-MJGOQNOKSA-N 1 0 334.460 1.363 50 0 EDAARO O=C(c1cc2sccc2[nH]1)N1CCN(c2cc[nH+]cc2)C[C@H](O)C1 ZINC000097499457 219030286 /nfs/dbraw/zinc/03/02/86/219030286.db2.gz LTBYISLLDFQXSV-ZDUSSCGKSA-N 1 0 342.424 1.948 50 0 EDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)/C=C\c1ccc(OCC(N)=O)cc1 ZINC000493290390 255201900 /nfs/dbraw/zinc/20/19/00/255201900.db2.gz KZGCWQBQXCDBMZ-NMNCIBEESA-N 1 0 331.416 1.292 50 0 EDAARO COc1ccc(C(=O)NCc2ncc(Cl)cn2)c(OCC[NH3+])c1 ZINC000426501768 257966179 /nfs/dbraw/zinc/96/61/79/257966179.db2.gz NCEURYVHPBEKED-UHFFFAOYSA-N 1 0 336.779 1.406 50 0 EDAARO CO[C@@H]1C[C@H]2C(=O)N(C3CCN(c4ccccn4)CC3)C(=O)N2C1 ZINC000328588475 258044811 /nfs/dbraw/zinc/04/48/11/258044811.db2.gz PYJDIBRFBAZCTD-KGLIPLIRSA-N 1 0 330.388 1.102 50 0 EDAARO CC(C)n1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000280512935 258014082 /nfs/dbraw/zinc/01/40/82/258014082.db2.gz NHBQFSLCGVSPJP-CQSZACIVSA-N 1 0 348.451 1.234 50 0 EDAARO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)C2)cc1NC(=O)CN(C)C ZINC000299791792 258097202 /nfs/dbraw/zinc/09/72/02/258097202.db2.gz FWNFVIONOSUXLV-HNNXBMFYSA-N 1 0 347.463 1.663 50 0 EDAARO COC(=O)c1cc(C[NH3+])cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000299792551 258097887 /nfs/dbraw/zinc/09/78/87/258097887.db2.gz FJSQRRYZRWQIFR-UHFFFAOYSA-N 1 0 338.360 1.872 50 0 EDAARO CN(C(=O)Nc1cc(Cl)c2c(c1)NC(=O)CO2)[C@H]1CC[N@H+](C)C1 ZINC000299793162 258098383 /nfs/dbraw/zinc/09/83/83/258098383.db2.gz JPGJJKBBBQZZNO-JTQLQIEISA-N 1 0 338.795 1.839 50 0 EDAARO Cc1cc(-c2cccc(C(=O)NCC[NH+]3CCCC3)c2)nc(N)n1 ZINC000299797430 258101530 /nfs/dbraw/zinc/10/15/30/258101530.db2.gz QNPNJDYGTZSTAB-UHFFFAOYSA-N 1 0 325.416 1.860 50 0 EDAARO Nc1nc(CN2CC[NH+](C[C@H]3CCCCO3)CC2)nc2ccccc12 ZINC000025026314 258057501 /nfs/dbraw/zinc/05/75/01/258057501.db2.gz LRVSEJHUBVSPDB-OAHLLOKOSA-N 1 0 341.459 1.899 50 0 EDAARO C[N@@H+]1CCOC[C@@H](CNC(=O)Nc2ccccc2-n2cccn2)C1 ZINC000299755243 258073984 /nfs/dbraw/zinc/07/39/84/258073984.db2.gz CATYCNTXQBPTAH-AWEZNQCLSA-N 1 0 329.404 1.572 50 0 EDAARO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)C1 ZINC000191905041 533485171 /nfs/dbraw/zinc/48/51/71/533485171.db2.gz OZHRPSCCFPQKNA-NTZNESFSSA-N 1 0 346.349 1.966 50 0 EDAARO COC(=O)c1cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)n(C)c1C ZINC000283944408 292000152 /nfs/dbraw/zinc/00/01/52/292000152.db2.gz HWNPREMHSRZTTM-HOTGVXAUSA-N 1 0 346.431 1.864 50 0 EDAARO C[NH+](C)C(C)(C)CNC(=O)c1nc(N2CCOCC2)ncc1Cl ZINC000044966949 132418234 /nfs/dbraw/zinc/41/82/34/132418234.db2.gz XFJQAVKOSXAJGS-UHFFFAOYSA-N 1 0 341.843 1.037 50 0 EDAARO [NH3+]C[C@H]1Cc2cccc(-c3nccc(N4CCC(O)CC4)n3)c2O1 ZINC000067881473 132813173 /nfs/dbraw/zinc/81/31/73/132813173.db2.gz LGGUMMWYLKWOFZ-CQSZACIVSA-N 1 0 326.400 1.367 50 0 EDAARO COC(=O)N[C@@H](C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000270458416 140104046 /nfs/dbraw/zinc/10/40/46/140104046.db2.gz CQCFMHILPSPERO-AWEZNQCLSA-N 1 0 333.432 1.554 50 0 EDAARO Cc1nc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)n(C)n1 ZINC000333839765 141392138 /nfs/dbraw/zinc/39/21/38/141392138.db2.gz NBRGHLKLTMBRLE-UHFFFAOYSA-N 1 0 327.432 1.560 50 0 EDAARO COc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cn1 ZINC000077452990 286274219 /nfs/dbraw/zinc/27/42/19/286274219.db2.gz FIZIYJDCFDRHPN-HNNXBMFYSA-N 1 0 332.448 1.190 50 0 EDAARO COc1ccc(NC2=N[C@]3(NC(=[NH2+])N2)c2ccccc2NC3=O)cc1 ZINC000019319836 274114547 /nfs/dbraw/zinc/11/45/47/274114547.db2.gz IEPXKKGVTXSYGS-QGZVFWFLSA-N 1 0 336.355 1.186 50 0 EDAARO CC[NH+]1CCN(CCC(=O)N2CCS[C@@H]3CCCC[C@@H]32)CC1 ZINC000370323738 276383732 /nfs/dbraw/zinc/38/37/32/276383732.db2.gz UFOBJEADYWKHRC-JKSUJKDBSA-N 1 0 325.522 1.901 50 0 EDAARO C[C@@H](C(=O)NC[C@@H]1COC2(CCOCC2)O1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000152768746 278208133 /nfs/dbraw/zinc/20/81/33/278208133.db2.gz KAMSETAXZQRFSE-LJISPDSOSA-N 1 0 326.437 1.286 50 0 EDAARO CC1(C)CN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000095466875 278315808 /nfs/dbraw/zinc/31/58/08/278315808.db2.gz JTKGIKSJTQESSV-LSDHHAIUSA-N 1 0 338.473 1.401 50 0 EDAARO CC(C)[C@H](C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)[NH+]1CCCCC1 ZINC000071896325 280146578 /nfs/dbraw/zinc/14/65/78/280146578.db2.gz DVTKGWWBHDMGPA-HUUCEWRRSA-N 1 0 345.509 1.024 50 0 EDAARO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000229766059 289339442 /nfs/dbraw/zinc/33/94/42/289339442.db2.gz FOSPMTAUKYVUEF-NEPJUHHUSA-N 1 0 342.440 1.149 50 0 EDAARO CN1CCN(C(=O)CC[N@@H+]2CCOC[C@@]2(C)c2ccccc2)CC1 ZINC000408519015 290010843 /nfs/dbraw/zinc/01/08/43/290010843.db2.gz RZDLJDYMWQAFRA-IBGZPJMESA-N 1 0 331.460 1.398 50 0 EDAARO COc1cccc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)c1OC ZINC000244605534 295299709 /nfs/dbraw/zinc/29/97/09/295299709.db2.gz FAHHCEMBMMXXRA-TXEJJXNPSA-N 1 0 329.404 1.893 50 0 EDAARO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000095987857 295514351 /nfs/dbraw/zinc/51/43/51/295514351.db2.gz ODFPQIUPVFUEQW-OAGGEKHMSA-N 1 0 342.505 1.595 50 0 EDAARO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCNC[C@@H]1c1ccncc1 ZINC000333543330 304537459 /nfs/dbraw/zinc/53/74/59/304537459.db2.gz JLVTZMOHFQZPRX-LJQANCHMSA-N 1 0 336.439 1.557 50 0 EDAARO O=C(NC[C@@H]1C[NH2+]CCO1)c1cccc(-c2cc(F)ccc2O)c1 ZINC000426369981 447427440 /nfs/dbraw/zinc/42/74/40/447427440.db2.gz RJVGLYWAWFZHHT-HNNXBMFYSA-N 1 0 330.359 1.917 50 0 EDAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000000100116 440799228 /nfs/dbraw/zinc/79/92/28/440799228.db2.gz ANYDDJHEXMVUGO-UHFFFAOYSA-N 1 0 333.407 1.772 50 0 EDAARO C[NH+](CCCNC(=O)c1ccco1)CCCNC(=O)c1ccco1 ZINC000002850699 440881066 /nfs/dbraw/zinc/88/10/66/440881066.db2.gz KUHRGONGYXIJHP-UHFFFAOYSA-N 1 0 333.388 1.744 50 0 EDAARO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(I)cc1 ZINC000003074278 440888060 /nfs/dbraw/zinc/88/80/60/440888060.db2.gz JRPWIFUWNNYKIU-UHFFFAOYSA-N 1 0 343.172 1.477 50 0 EDAARO COc1cccc2cc(C(=O)N(C)C3CC[NH+](C)CC3)c(=O)oc21 ZINC000003242432 440893518 /nfs/dbraw/zinc/89/35/18/440893518.db2.gz GHHDWSVHMKQTDH-UHFFFAOYSA-N 1 0 330.384 1.968 50 0 EDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2N2CCCC2)C1 ZINC000044893844 440900970 /nfs/dbraw/zinc/90/09/70/440900970.db2.gz GQQUKPNZHVPTRN-INIZCTEOSA-N 1 0 346.475 1.768 50 0 EDAARO CN(C)c1cc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000044915991 440910211 /nfs/dbraw/zinc/91/02/11/440910211.db2.gz JBTJQQYREUXZQB-UHFFFAOYSA-N 1 0 340.431 1.574 50 0 EDAARO O=C(c1cccnc1-n1cncn1)N1CC[NH+](C2CCCC2)CC1 ZINC000045086109 440949709 /nfs/dbraw/zinc/94/97/09/440949709.db2.gz OBBLNSYDIRISGP-UHFFFAOYSA-N 1 0 326.404 1.363 50 0 EDAARO Cc1cc(C)n([C@@H]2CCN(C(=O)Cc3cccc(OCC[NH3+])c3)C2)n1 ZINC000426404395 447435618 /nfs/dbraw/zinc/43/56/18/447435618.db2.gz UWBHZVBAQPMDNX-QGZVFWFLSA-N 1 0 342.443 1.854 50 0 EDAARO O=C(NCCOc1ccc2c(c1)OCO2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044971871 440932431 /nfs/dbraw/zinc/93/24/31/440932431.db2.gz JRIIUIABUKIWDG-HUUCEWRRSA-N 1 0 347.415 1.720 50 0 EDAARO Nc1nc([C@H]2CCOC2)cc(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000426405076 447436911 /nfs/dbraw/zinc/43/69/11/447436911.db2.gz CAWMDUGFKIJIQK-AWEZNQCLSA-N 1 0 331.464 2.017 50 0 EDAARO Cc1sc(=O)n(CCC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000069983079 441101308 /nfs/dbraw/zinc/10/13/08/441101308.db2.gz QZNMPLYUVOXQAQ-GFCCVEGCSA-N 1 0 325.478 1.765 50 0 EDAARO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)COc3ccccc3)C2)nn1 ZINC000070016749 441104102 /nfs/dbraw/zinc/10/41/02/441104102.db2.gz YYZQPLDAKKWHFQ-SJORKVTESA-N 1 0 342.443 1.783 50 0 EDAARO O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCNC1=O ZINC000008231451 441086638 /nfs/dbraw/zinc/08/66/38/441086638.db2.gz WZOJGAQJILUJMA-CYBMUJFWSA-N 1 0 331.372 1.147 50 0 EDAARO CC[C@H]1CN(CCC(=O)NC2CCCCC2)CC[N@@H+]1CCOC ZINC000069951204 441095972 /nfs/dbraw/zinc/09/59/72/441095972.db2.gz APYNEPDQVBQGNX-KRWDZBQOSA-N 1 0 325.497 1.868 50 0 EDAARO COc1ccccc1C[N@H+](CCCS(=O)(=O)N(C)C)C1CC1 ZINC000057872398 441139816 /nfs/dbraw/zinc/13/98/16/441139816.db2.gz CYDLWAGQAOHWIQ-UHFFFAOYSA-N 1 0 326.462 1.941 50 0 EDAARO COc1cccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1OC ZINC000071856630 441169969 /nfs/dbraw/zinc/16/99/69/441169969.db2.gz MKWCOAOAWIWWQC-HUUCEWRRSA-N 1 0 349.431 1.366 50 0 EDAARO C[NH+](C)[C@@H](CNC(=O)CSc1nnnn1C1CC1)c1ccccc1 ZINC000014120016 441172727 /nfs/dbraw/zinc/17/27/27/441172727.db2.gz SKPABAZNBWMRPE-AWEZNQCLSA-N 1 0 346.460 1.519 50 0 EDAARO Cc1cc2n(n1)C[C@H](C[NH2+]C1CCN(Cc3ccncc3)CC1)CN2 ZINC000058296088 441174138 /nfs/dbraw/zinc/17/41/38/441174138.db2.gz KCCYQMSYPCNNFF-QGZVFWFLSA-N 1 0 340.475 1.882 50 0 EDAARO COCCOc1ncccc1C[NH2+]C[C@H]1CNc2cc(C)nn2C1 ZINC000058294457 441174471 /nfs/dbraw/zinc/17/44/71/441174471.db2.gz SWPDISNLDYZTDZ-AWEZNQCLSA-N 1 0 331.420 1.443 50 0 EDAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc3n[nH]cc32)CC1 ZINC000071904007 441190568 /nfs/dbraw/zinc/19/05/68/441190568.db2.gz BQBVJCVCSZCUGX-AWEZNQCLSA-N 1 0 329.448 1.566 50 0 EDAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2S(=O)(=O)CC)C1 ZINC000058356170 441185442 /nfs/dbraw/zinc/18/54/42/441185442.db2.gz BZYUVKSEDAONBP-AWEZNQCLSA-N 1 0 338.473 1.942 50 0 EDAARO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CNc3c(C(N)=O)cnn3C2)s1 ZINC000071888683 441185722 /nfs/dbraw/zinc/18/57/22/441185722.db2.gz XCAWPBFAQLEKOK-GZMMTYOYSA-N 1 0 334.449 1.448 50 0 EDAARO CC(C)CN1C(=O)N(C)C2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000014537989 441185921 /nfs/dbraw/zinc/18/59/21/441185921.db2.gz CZRQDQDPYXGTOT-UHFFFAOYSA-N 1 0 330.432 1.966 50 0 EDAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CNC(=O)NC1CC1 ZINC000058378419 441186854 /nfs/dbraw/zinc/18/68/54/441186854.db2.gz XTYXRBKADCZOQX-UHFFFAOYSA-N 1 0 336.411 1.178 50 0 EDAARO CC(C)COCCNC(=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000071894071 441187503 /nfs/dbraw/zinc/18/75/03/441187503.db2.gz FQMICXQIBIFTNS-UHFFFAOYSA-N 1 0 337.439 1.980 50 0 EDAARO CN(CCn1cccn1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000071762665 441152949 /nfs/dbraw/zinc/15/29/49/441152949.db2.gz NMMQSFHJSGOTIY-MRXNPFEDSA-N 1 0 333.480 1.148 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(OC)ccc1OC ZINC000071800150 441156012 /nfs/dbraw/zinc/15/60/12/441156012.db2.gz NIUYUGOFBIFLKQ-GFCCVEGCSA-N 1 0 328.434 1.466 50 0 EDAARO COc1ccccc1[C@H](CNC(=O)c1ccc(=O)[nH]c1)[NH+]1CCCC1 ZINC000071798384 441156374 /nfs/dbraw/zinc/15/63/74/441156374.db2.gz WRVUPHTXXRAYKB-INIZCTEOSA-N 1 0 341.411 1.950 50 0 EDAARO C[C@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)[NH+]1CCC(C)CC1 ZINC000058172210 441156486 /nfs/dbraw/zinc/15/64/86/441156486.db2.gz JHZFNQJQQWIFBV-IAGOWNOFSA-N 1 0 345.491 1.930 50 0 EDAARO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000071812675 441158541 /nfs/dbraw/zinc/15/85/41/441158541.db2.gz IFXJQXMPPGYPKZ-JQWIXIFHSA-N 1 0 325.359 1.291 50 0 EDAARO COCCN1CCC[C@@](O)(C[NH2+]C2C3CC4CC(C3)CC2C4)C1=O ZINC000014975486 441192396 /nfs/dbraw/zinc/19/23/96/441192396.db2.gz NCSDBDZNMZZIEJ-IJNOCJQWSA-N 1 0 336.476 1.401 50 0 EDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000058428854 441194352 /nfs/dbraw/zinc/19/43/52/441194352.db2.gz GVVJBTJVYBIMGG-UHFFFAOYSA-N 1 0 341.459 1.977 50 0 EDAARO CC[NH+](CC)CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000072238024 441208418 /nfs/dbraw/zinc/20/84/18/441208418.db2.gz ZDZZYGRIFURMNB-QZTJIDSGSA-N 1 0 347.459 1.433 50 0 EDAARO c1nnc2n1C[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000072254136 441210434 /nfs/dbraw/zinc/21/04/34/441210434.db2.gz BVZIDKGDGPKPFE-HNNXBMFYSA-N 1 0 327.432 1.467 50 0 EDAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc2c(c1)OCO2 ZINC000072268576 441211676 /nfs/dbraw/zinc/21/16/76/441211676.db2.gz UQGTTXCERDQHPC-ZACQAIPSSA-N 1 0 346.427 1.924 50 0 EDAARO CC(C)c1noc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000072269234 441212475 /nfs/dbraw/zinc/21/24/75/441212475.db2.gz VBFBUYHRWWIYKR-KGLIPLIRSA-N 1 0 336.436 1.183 50 0 EDAARO O=C([C@H]1COc2ccccc2O1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000047717434 441221868 /nfs/dbraw/zinc/22/18/68/441221868.db2.gz UXHCWVAYFZZEMP-WMLDXEAASA-N 1 0 332.400 1.007 50 0 EDAARO Cc1ccccc1NC1=N[C@@]2(NC(=[NH2+])N1)c1ccccc1N(C)C2=O ZINC000019329174 441256307 /nfs/dbraw/zinc/25/63/07/441256307.db2.gz MJRBVQYOPWYSCJ-SFHVURJKSA-N 1 0 334.383 1.510 50 0 EDAARO CN1c2ccccc2[C@@]2(N=C(N3CCc4ccccc43)NC(=[NH2+])N2)C1=O ZINC000019327596 441256652 /nfs/dbraw/zinc/25/66/52/441256652.db2.gz GKQZVCPUJOIYKP-LJQANCHMSA-N 1 0 346.394 1.152 50 0 EDAARO O=C(CCn1nnc2ccccc2c1=O)NCC[NH+]1CCCCCC1 ZINC000048276258 441283872 /nfs/dbraw/zinc/28/38/72/441283872.db2.gz LWVVTTMAWXTIAK-UHFFFAOYSA-N 1 0 343.431 1.174 50 0 EDAARO C[NH+]1CCN(CCOC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000022865435 441287148 /nfs/dbraw/zinc/28/71/48/441287148.db2.gz MBRXPFYLGXFRRE-HNNXBMFYSA-N 1 0 349.456 1.280 50 0 EDAARO O=C(NCc1ccc2c(c1)OCO2)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000048300631 441288736 /nfs/dbraw/zinc/28/87/36/441288736.db2.gz GDVPSLNKCNSRIS-CQSZACIVSA-N 1 0 335.404 1.061 50 0 EDAARO Cc1nnc2ccc(NC[C@H](C[NH+](C)C)[C@@H](O)c3ccccc3)nn12 ZINC000048345559 441296377 /nfs/dbraw/zinc/29/63/77/441296377.db2.gz KZPJZUIIZDRRLZ-QAPCUYQASA-N 1 0 340.431 1.756 50 0 EDAARO COc1ccc(F)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)c1 ZINC000023361098 441294343 /nfs/dbraw/zinc/29/43/43/441294343.db2.gz QXKFYVBZOUSEKQ-QZTJIDSGSA-N 1 0 337.439 1.017 50 0 EDAARO O=C(CN1C(=O)CSc2ccccc21)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000048331923 441294401 /nfs/dbraw/zinc/29/44/01/441294401.db2.gz QSRAIUIIQZVBHD-CYBMUJFWSA-N 1 0 345.468 1.726 50 0 EDAARO COCc1nc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)no1 ZINC000082096636 441330821 /nfs/dbraw/zinc/33/08/21/441330821.db2.gz YWGYNGVFEIGKJB-UHFFFAOYSA-N 1 0 343.387 1.297 50 0 EDAARO Cc1nc2ccccc2n1CCC(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082121260 441335418 /nfs/dbraw/zinc/33/54/18/441335418.db2.gz 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EDAARO Cc1nn(C)c(N2CCOCC2)c1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000065476906 441442796 /nfs/dbraw/zinc/44/27/96/441442796.db2.gz VVPMKLZMQUFEDH-UHFFFAOYSA-N 1 0 349.523 1.918 50 0 EDAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)c1ccc2ncsc2c1 ZINC000065498172 441446231 /nfs/dbraw/zinc/44/62/31/441446231.db2.gz NBDQTSQUZDRJNT-YPMHNXCESA-N 1 0 333.413 1.614 50 0 EDAARO C[C@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000075132644 441500845 /nfs/dbraw/zinc/50/08/45/441500845.db2.gz KYCHHXLIFFECSZ-SWLSCSKDSA-N 1 0 332.366 1.737 50 0 EDAARO Cc1ccc(NC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000075104994 441494734 /nfs/dbraw/zinc/49/47/34/441494734.db2.gz JFBQZAKTLBVPQI-KRWDZBQOSA-N 1 0 331.460 1.896 50 0 EDAARO COc1cccc([C@@H](CNC(=O)c2ccc(C)[nH]c2=O)[NH+](C)C)c1 ZINC000075118549 441497271 /nfs/dbraw/zinc/49/72/71/441497271.db2.gz PEPGHMWGDFAJGJ-MRXNPFEDSA-N 1 0 329.400 1.725 50 0 EDAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccnc(N(C)C)c1 ZINC000065537564 441454151 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C[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000089592531 441562310 /nfs/dbraw/zinc/56/23/10/441562310.db2.gz HTQCLJCNDKTLPG-BBRMVZONSA-N 1 0 337.851 1.756 50 0 EDAARO Cc1ccoc1C(=O)NCCCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000076018610 441578412 /nfs/dbraw/zinc/57/84/12/441578412.db2.gz VPRKXBGCJPGNRN-HNNXBMFYSA-N 1 0 348.447 1.491 50 0 EDAARO COC[C@@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000076040633 441581130 /nfs/dbraw/zinc/58/11/30/441581130.db2.gz AIVJWDLGXWUSIL-SWLSCSKDSA-N 1 0 326.824 1.775 50 0 EDAARO C[C@@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@@H]1[NH+](C)C ZINC000076050456 441586824 /nfs/dbraw/zinc/58/68/24/441586824.db2.gz XHQVXYCJSUAABR-PWSUYJOCSA-N 1 0 331.338 1.276 50 0 EDAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000076086872 441595068 /nfs/dbraw/zinc/59/50/68/441595068.db2.gz ZJESWNNMPCNHNZ-KRWDZBQOSA-N 1 0 349.479 1.766 50 0 EDAARO Cc1ccc(Br)cc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000036753781 441609234 /nfs/dbraw/zinc/60/92/34/441609234.db2.gz 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EDAARO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)ccc1Br ZINC000095467166 441933134 /nfs/dbraw/zinc/93/31/34/441933134.db2.gz IAWXNYZXFJQTED-SECBINFHSA-N 1 0 347.234 1.292 50 0 EDAARO COCC[N@H+](C)CCCNC(=O)C1=Cc2cccc(OC)c2OC1 ZINC000069438875 441936031 /nfs/dbraw/zinc/93/60/31/441936031.db2.gz YLFQJGMLSGHYJC-UHFFFAOYSA-N 1 0 334.416 1.556 50 0 EDAARO CCn1ccnc1CN1CC[NH+](CCC(=O)NC2CCCCC2)CC1 ZINC000069443073 441938033 /nfs/dbraw/zinc/93/80/33/441938033.db2.gz UYJGQVJKWXUPRM-UHFFFAOYSA-N 1 0 347.507 1.860 50 0 EDAARO NC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000069453423 441941027 /nfs/dbraw/zinc/94/10/27/441941027.db2.gz JUBROIWJXREFQR-GOSISDBHSA-N 1 0 343.471 1.808 50 0 EDAARO CN1N=C(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1=O ZINC000069517092 441960481 /nfs/dbraw/zinc/96/04/81/441960481.db2.gz GFXBENSVSBYLIM-HNNXBMFYSA-N 1 0 334.464 1.709 50 0 EDAARO CC(C)[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C)CCO1)c1cccs1 ZINC000069652995 442000432 /nfs/dbraw/zinc/00/04/32/442000432.db2.gz JPKJJOHCSHULDR-CZUORRHYSA-N 1 0 325.478 1.482 50 0 EDAARO CNC(=O)c1ccc(/C=C\C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000096032790 441982729 /nfs/dbraw/zinc/98/27/29/441982729.db2.gz FQCQDVLBPQYQKE-XMELGKRDSA-N 1 0 329.444 1.908 50 0 EDAARO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000069594506 441985202 /nfs/dbraw/zinc/98/52/02/441985202.db2.gz IGCKZZHGHIORBM-LLVKDONJSA-N 1 0 345.237 1.865 50 0 EDAARO CCCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCO2)n1 ZINC000078894346 441988701 /nfs/dbraw/zinc/98/87/01/441988701.db2.gz IDBSFAFRDRBXNW-LSDHHAIUSA-N 1 0 349.479 1.920 50 0 EDAARO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)nnn1-c1cccc2cccnc21 ZINC000125286119 442005717 /nfs/dbraw/zinc/00/57/17/442005717.db2.gz KFQFNJQZNKYFLC-GFCCVEGCSA-N 1 0 336.399 1.558 50 0 EDAARO COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C)cc2F)CC1 ZINC000069707630 442018951 /nfs/dbraw/zinc/01/89/51/442018951.db2.gz OKNDQEBNKKVZPC-UHFFFAOYSA-N 1 0 344.452 1.867 50 0 EDAARO CC(=O)N1CCC(NC(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)CC1 ZINC000069737174 442022988 /nfs/dbraw/zinc/02/29/88/442022988.db2.gz OMRKDHPGBNHRLE-AWEZNQCLSA-N 1 0 339.480 1.129 50 0 EDAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000069738761 442025823 /nfs/dbraw/zinc/02/58/23/442025823.db2.gz FAEWUXIIZMLUJG-MSOLQXFVSA-N 1 0 329.444 1.778 50 0 EDAARO O=S(=O)(CCC[NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000069739220 442026184 /nfs/dbraw/zinc/02/61/84/442026184.db2.gz UMRYQKUSWXNVNK-CYBMUJFWSA-N 1 0 338.408 1.186 50 0 EDAARO O=S(=O)(NCC[N@@H+]1CCC[C@H]1Cn1cccn1)c1ccccc1 ZINC000069740144 442026859 /nfs/dbraw/zinc/02/68/59/442026859.db2.gz DQAAWVWFUGABPO-HNNXBMFYSA-N 1 0 334.445 1.326 50 0 EDAARO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000069813837 442047340 /nfs/dbraw/zinc/04/73/40/442047340.db2.gz RGFKVXWDNPKXEV-OCCSQVGLSA-N 1 0 339.461 1.023 50 0 EDAARO C[NH+](C)C[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CCO1 ZINC000069818767 442050397 /nfs/dbraw/zinc/05/03/97/442050397.db2.gz ACVZCFAFTHBRJI-HNNXBMFYSA-N 1 0 339.867 1.609 50 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O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000279509028 443595128 /nfs/dbraw/zinc/59/51/28/443595128.db2.gz WZMCYUGFTYGIBW-INIZCTEOSA-N 1 0 336.457 1.621 50 0 EDAARO COC1(c2nc(Cc3ccccc3)no2)CC[NH+](C[C@@H](C)O)CC1 ZINC000284358580 443772829 /nfs/dbraw/zinc/77/28/29/443772829.db2.gz DGRKSSNDBOYZJJ-CQSZACIVSA-N 1 0 331.416 1.979 50 0 EDAARO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)[C@@]1(C)CCCO1 ZINC000331122437 444403609 /nfs/dbraw/zinc/40/36/09/444403609.db2.gz AAHBVKRJRHJWIM-CZUORRHYSA-N 1 0 326.462 1.984 50 0 EDAARO O=C(CN1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1 ZINC000328594097 444388340 /nfs/dbraw/zinc/38/83/40/444388340.db2.gz PEXCFUOKTWBHBJ-OALUTQOASA-N 1 0 343.471 1.267 50 0 EDAARO Cc1ncc2n1CC[C@@H](C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000329703301 444686225 /nfs/dbraw/zinc/68/62/25/444686225.db2.gz IFWPXGRCPPPYIC-IAGOWNOFSA-N 1 0 346.475 1.325 50 0 EDAARO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1c1cnn(C)c1 ZINC000375531812 446878050 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333.432 1.554 50 0 EDAARO COc1cccc(N2CCC([N@@H+]3CCN(C)[C@H](CCO)C3)CC2)c1 ZINC000104506648 219391621 /nfs/dbraw/zinc/39/16/21/219391621.db2.gz IIILXEGGKYPTKI-GOSISDBHSA-N 1 0 333.476 1.662 50 0 EDAARO NC(=O)CN1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095419805 283288000 /nfs/dbraw/zinc/28/80/00/283288000.db2.gz LAEWREDAGNHXOS-INIZCTEOSA-N 1 0 329.444 1.972 50 0 EDAARO CC(C)CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000035421972 213026654 /nfs/dbraw/zinc/02/66/54/213026654.db2.gz FCKOTQDGZVAQLP-UHFFFAOYSA-N 1 0 335.423 1.746 50 0 EDAARO CC1CC[NH+](C[C@@H](O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000071824994 215854955 /nfs/dbraw/zinc/85/49/55/215854955.db2.gz JGGCOKMXBWOQJC-APWZRJJASA-N 1 0 345.443 1.546 50 0 EDAARO CC(=O)NCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072129119 216019397 /nfs/dbraw/zinc/01/93/97/216019397.db2.gz KUBWXNYZDTYYTD-QXAKKESOSA-N 1 0 345.418 1.350 50 0 EDAARO Cn1nc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1-c1cccs1 ZINC000072121903 216015250 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CC[C@H]1CN(Cc2csc(NC(C)=O)n2)CC[N@@H+]1C[C@@H](C)O ZINC000075129393 441500096 /nfs/dbraw/zinc/50/00/96/441500096.db2.gz SQBULSBPGJLDCP-RISCZKNCSA-N 1 0 326.466 1.379 50 0 EDAARO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030268528 441488102 /nfs/dbraw/zinc/48/81/02/441488102.db2.gz JFSXNDMVSDZJBQ-GFCCVEGCSA-N 1 0 337.395 1.903 50 0 EDAARO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1nc(-c2ccco2)no1 ZINC000075094064 441493187 /nfs/dbraw/zinc/49/31/87/441493187.db2.gz INMRFLJDZGBZGC-ZIAGYGMSSA-N 1 0 332.404 1.751 50 0 EDAARO Cc1nn(CC[NH+]2CCCCC2)cc1CN1CC(N2CCOCC2)C1 ZINC000065525844 441450944 /nfs/dbraw/zinc/45/09/44/441450944.db2.gz UGAWUMOEYZTDQF-UHFFFAOYSA-N 1 0 347.507 1.194 50 0 EDAARO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cncc(F)c1 ZINC000108460704 441454960 /nfs/dbraw/zinc/45/49/60/441454960.db2.gz JTALTBMNALZOEH-YJBOKZPZSA-N 1 0 343.402 1.834 50 0 EDAARO CNC(=O)c1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1F ZINC000089391733 441545223 /nfs/dbraw/zinc/54/52/23/441545223.db2.gz 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448381894 /nfs/dbraw/zinc/38/18/94/448381894.db2.gz BTKRUCVYOALFAN-CQSZACIVSA-N 1 0 331.420 1.187 50 0 EDAARO Cc1c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cnn1C ZINC000585115035 448695416 /nfs/dbraw/zinc/69/54/16/448695416.db2.gz JRUFHOLOVBKUKE-OCCSQVGLSA-N 1 0 328.482 1.469 50 0 EDAARO CN(Cc1cccs1)C(=O)Cn1ccnc1CN1CCOCC1 ZINC000585123051 448700927 /nfs/dbraw/zinc/70/09/27/448700927.db2.gz RYMZZPDTJCSSAU-UHFFFAOYSA-N 1 0 334.445 1.435 50 0 EDAARO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCCc2ccccc2C1 ZINC000592818653 449004382 /nfs/dbraw/zinc/00/43/82/449004382.db2.gz GRENIVRHUWNRFA-WMLDXEAASA-N 1 0 329.444 1.547 50 0 EDAARO C[NH2+]C1CCN(C(=O)/C(=C\c2ccccc2)n2nnnc2C)CC1 ZINC000606441631 449467699 /nfs/dbraw/zinc/46/76/99/449467699.db2.gz DDGJZNGCECVZJD-FOWTUZBSSA-N 1 0 326.404 1.190 50 0 EDAARO CCN(C(=O)c1ccc(-n2cnnn2)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000655455491 452250590 /nfs/dbraw/zinc/25/05/90/452250590.db2.gz RONDZMRGFOLGGG-OAHLLOKOSA-N 1 0 328.420 1.575 50 0 EDAARO CCc1noc([C@H](C)N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1 ZINC000083830460 486230270 /nfs/dbraw/zinc/23/02/70/486230270.db2.gz ANNRLFJMHUXLJJ-OFQRWUPVSA-N 1 0 349.479 1.568 50 0 EDAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000084736220 486282314 /nfs/dbraw/zinc/28/23/14/486282314.db2.gz FFLKEWUWNJPPPO-DQYPLSBCSA-N 1 0 347.434 1.979 50 0 EDAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000084736404 486283045 /nfs/dbraw/zinc/28/30/45/486283045.db2.gz KZKIUZDJAGXUOC-HIFRSBDPSA-N 1 0 336.461 1.484 50 0 EDAARO CCCN1C[C@H](NC(=O)C2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000670448937 486530694 /nfs/dbraw/zinc/53/06/94/486530694.db2.gz HKFAIUHMBRWXLP-OAHLLOKOSA-N 1 0 337.464 1.005 50 0 EDAARO CC[C@@H](Cn1ccnc1)[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC000670460191 486551164 /nfs/dbraw/zinc/55/11/64/486551164.db2.gz OGALGEOWMLYFAG-HNNXBMFYSA-N 1 0 327.432 1.951 50 0 EDAARO C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H](C)[NH2+]1 ZINC000153774592 534405636 /nfs/dbraw/zinc/40/56/36/534405636.db2.gz ROWHWINAAZKOJQ-NXEZZACHSA-N 1 0 330.837 1.566 50 0 EDAARO COCCOCCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000065587571 524009142 /nfs/dbraw/zinc/00/91/42/524009142.db2.gz GGZYBRZCLDQZPY-UHFFFAOYSA-N 1 0 349.475 1.610 50 0 EDAARO CC(C)C(=O)N1CCC([NH2+][C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)CC1 ZINC000244748736 535373035 /nfs/dbraw/zinc/37/30/35/535373035.db2.gz ONHQMUQHMVZTLL-XOKHGSTOSA-N 1 0 334.464 1.469 50 0 EDAARO C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)CC1 ZINC000216497755 536414518 /nfs/dbraw/zinc/41/45/18/536414518.db2.gz GRTHUCGQMBKFCO-KRWDZBQOSA-N 1 0 331.460 1.844 50 0 EDAARO C[C@@H]1[C@@H]([NH2+]C[C@H](O)c2cnn(C)c2)CCCN1C(=O)OC(C)(C)C ZINC000863983959 596739855 /nfs/dbraw/zinc/73/98/55/596739855.db2.gz OOZKAJRRHRIJCM-SNPRPXQTSA-N 1 0 338.452 1.831 50 0 EDAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000072125331 703320170 /nfs/dbraw/zinc/32/01/70/703320170.db2.gz BJKRNHHVFCPAGL-QGZVFWFLSA-N 1 0 342.443 1.202 50 0 EDAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)C1 ZINC000011935897 710030561 /nfs/dbraw/zinc/03/05/61/710030561.db2.gz BSKBFTTWMRXRPZ-CQSZACIVSA-N 1 0 338.415 1.584 50 0 EDAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2sccc2Br)C1 ZINC000053202801 214169959 /nfs/dbraw/zinc/16/99/59/214169959.db2.gz JIIIHIHYIGWIGL-QMMMGPOBSA-N 1 0 339.280 1.883 50 0 EDAARO COCC[NH+]1CCC2(CCN(C(=O)c3ccccc3)C[C@@H]2CO)CC1 ZINC000097823245 219058667 /nfs/dbraw/zinc/05/86/67/219058667.db2.gz XTORPRWSWNIAMA-GOSISDBHSA-N 1 0 346.471 1.870 50 0 EDAARO CC[C@H](C(=O)N1CC[C@H](C[NH3+])C1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000178576818 529601071 /nfs/dbraw/zinc/60/10/71/529601071.db2.gz YOSFPJUVTBMKTE-BXUZGUMPSA-N 1 0 348.838 1.752 50 0 EDAARO Cc1cc2n(n1)C[C@H](C[NH2+]C1CCN(C(=O)c3ccco3)CC1)CN2 ZINC000058331252 214549783 /nfs/dbraw/zinc/54/97/83/214549783.db2.gz JQJUVDLZEQWKDS-CQSZACIVSA-N 1 0 343.431 1.721 50 0 EDAARO COCCn1cnnc1CCNc1nc(CC[NH3+])nc2ccccc21 ZINC000065404456 214894720 /nfs/dbraw/zinc/89/47/20/214894720.db2.gz UIPLTXGYHDPCRW-UHFFFAOYSA-N 1 0 341.419 1.024 50 0 EDAARO C[NH+](C)C1(CNc2c(=O)c(=O)c2NCc2ccccn2)CCCCC1 ZINC000101694656 219157068 /nfs/dbraw/zinc/15/70/68/219157068.db2.gz PWLVOKUFKPKQFO-UHFFFAOYSA-N 1 0 342.443 1.966 50 0 EDAARO CC(C)(C)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000066970573 215099998 /nfs/dbraw/zinc/09/99/98/215099998.db2.gz AMUBOIBNNGYBAX-UHFFFAOYSA-N 1 0 326.462 1.843 50 0 EDAARO O=C(NCc1ccncc1O[C@H]1CC[NH2+]C1)c1[nH]nc2ccccc21 ZINC000685941142 539579750 /nfs/dbraw/zinc/57/97/50/539579750.db2.gz SSKKZTFGSNFIIS-ZDUSSCGKSA-N 1 0 337.383 1.629 50 0 EDAARO CCC[N@@H+]1CCC[C@H](C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000685944959 539584279 /nfs/dbraw/zinc/58/42/79/539584279.db2.gz KXOBDCFGIBVIKW-INIZCTEOSA-N 1 0 329.444 1.814 50 0 EDAARO C[NH+](C)CC[C@H](NC(=O)N1CCC([C@H](F)C(N)=O)CC1)C(C)(C)C ZINC000685943580 539583264 /nfs/dbraw/zinc/58/32/64/539583264.db2.gz YAVLWAJHSSLEAF-KBPBESRZSA-N 1 0 344.475 1.598 50 0 EDAARO c1ncn(CCCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)n1 ZINC000067459070 215148602 /nfs/dbraw/zinc/14/86/02/215148602.db2.gz QLKJOXHNPFXFJZ-UHFFFAOYSA-N 1 0 336.403 1.278 50 0 EDAARO CC1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000067465201 215149536 /nfs/dbraw/zinc/14/95/36/215149536.db2.gz DGMCIHDTZFNZSN-UHFFFAOYSA-N 1 0 346.475 1.920 50 0 EDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@H](CO)C3)cnn2c1 ZINC000067490451 215154872 /nfs/dbraw/zinc/15/48/72/215154872.db2.gz WSMDTRCJBUYDQH-AWEZNQCLSA-N 1 0 345.447 1.416 50 0 EDAARO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000067541419 215159491 /nfs/dbraw/zinc/15/94/91/215159491.db2.gz BJOJWGDDLZTHKQ-LBPRGKRZSA-N 1 0 338.433 1.431 50 0 EDAARO CCN(CC[NH+]1CCCC1)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000067673231 215177706 /nfs/dbraw/zinc/17/77/06/215177706.db2.gz SJEPGUROIJQONQ-UHFFFAOYSA-N 1 0 328.416 1.491 50 0 EDAARO Cc1ncc(C(=O)NCC2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000067673982 215179747 /nfs/dbraw/zinc/17/97/47/215179747.db2.gz KMWPFUKXNLZKMN-UHFFFAOYSA-N 1 0 325.416 1.822 50 0 EDAARO O=C(Cc1nnc(-c2ccncc2)[nH]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067713601 215191620 /nfs/dbraw/zinc/19/16/20/215191620.db2.gz FPJWIQASIUYBKV-KRWDZBQOSA-N 1 0 326.404 1.011 50 0 EDAARO O=C(NCc1cc(C2CC2)on1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067723818 215194839 /nfs/dbraw/zinc/19/48/39/215194839.db2.gz PZDYOWKMSKJKFG-LLVKDONJSA-N 1 0 330.392 1.073 50 0 EDAARO C[C@H](O)C[N@H+]1CC=C(c2noc(CN(C)C(=O)N3CCCC3)n2)CC1 ZINC000067742170 215201259 /nfs/dbraw/zinc/20/12/59/215201259.db2.gz MMWRSBIFZMKRJN-ZDUSSCGKSA-N 1 0 349.435 1.187 50 0 EDAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc2nc(C)[nH]c21 ZINC000067934378 215253101 /nfs/dbraw/zinc/25/31/01/215253101.db2.gz JYMQWMBIVJUECM-DOMZBBRYSA-N 1 0 343.431 1.282 50 0 EDAARO CCC[N@@H+]1CCC[C@@H](CNC(=O)c2nn(C)c(=O)c3ccccc32)C1 ZINC000067983428 215268184 /nfs/dbraw/zinc/26/81/84/215268184.db2.gz NOOOCEMXEUXQOD-AWEZNQCLSA-N 1 0 342.443 1.785 50 0 EDAARO CCCC[NH+]1CCC(NC(=O)C2(S(C)(=O)=O)CCCC2)CC1 ZINC000068449950 215309321 /nfs/dbraw/zinc/30/93/21/215309321.db2.gz NAAFKKRZFBMZPK-UHFFFAOYSA-N 1 0 330.494 1.725 50 0 EDAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000068475940 215311613 /nfs/dbraw/zinc/31/16/13/215311613.db2.gz VOSLBZITMLLRAS-CQSZACIVSA-N 1 0 337.851 1.756 50 0 EDAARO Cc1nn(C)cc1CN1CC[N@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000039420639 213235843 /nfs/dbraw/zinc/23/58/43/213235843.db2.gz DLGIZYHZNDYSCF-LJQANCHMSA-N 1 0 328.460 1.797 50 0 EDAARO Cc1cnn(C[C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000069652122 215513891 /nfs/dbraw/zinc/51/38/91/215513891.db2.gz XQNHYVHJMAKATL-UONOGXRCSA-N 1 0 333.388 1.338 50 0 EDAARO Cc1nc(N(C)C)cc(NCCNC(=O)Cc2ccc(F)cc2)[nH+]1 ZINC000038488292 213210455 /nfs/dbraw/zinc/21/04/55/213210455.db2.gz BHPCUEUWYFASII-UHFFFAOYSA-N 1 0 331.395 1.761 50 0 EDAARO O=c1c2nnn(Cc3ccccc3)c2ncn1CC[NH+]1CCCCC1 ZINC000036646195 213107422 /nfs/dbraw/zinc/10/74/22/213107422.db2.gz YWTILMSEBVCOGT-UHFFFAOYSA-N 1 0 338.415 1.522 50 0 EDAARO CC(C)OC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000036103187 213067423 /nfs/dbraw/zinc/06/74/23/213067423.db2.gz BZICBWALEGXIPR-INIZCTEOSA-N 1 0 326.437 1.200 50 0 EDAARO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187515886 236231668 /nfs/dbraw/zinc/23/16/68/236231668.db2.gz GNMMTJXVWYHAKH-GOSISDBHSA-N 1 0 342.443 1.744 50 0 EDAARO Cc1cnn(CC2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)c1 ZINC000071877034 215910074 /nfs/dbraw/zinc/91/00/74/215910074.db2.gz JCTYYSHLVSSTFX-ROUUACIJSA-N 1 0 337.464 1.460 50 0 EDAARO C[NH+]1CCC(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000072116098 216011196 /nfs/dbraw/zinc/01/11/96/216011196.db2.gz VLEOJZIQXXBLBG-UHFFFAOYSA-N 1 0 340.445 1.468 50 0 EDAARO CCc1nc(C)sc1Cn1ncc(N2CC[C@@H](C[NH3+])C2)cc1=O ZINC000072144248 216030090 /nfs/dbraw/zinc/03/00/90/216030090.db2.gz USLPGJSMVAXUHU-LBPRGKRZSA-N 1 0 333.461 1.404 50 0 EDAARO CC(C)Cc1cc(C(=O)N2CCC[C@@H](N(C)CC[NH+](C)C)C2)no1 ZINC000072148564 216035522 /nfs/dbraw/zinc/03/55/22/216035522.db2.gz KZKHOYBNNGXTPX-OAHLLOKOSA-N 1 0 336.480 1.971 50 0 EDAARO O=C(NC1CC1)[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[NH2+]1 ZINC000072162018 216050459 /nfs/dbraw/zinc/05/04/59/216050459.db2.gz IDOSXLJZOHDDGI-QGZVFWFLSA-N 1 0 343.406 1.064 50 0 EDAARO O=C(CCN(Cc1cccnc1)[C@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC000072157337 216046908 /nfs/dbraw/zinc/04/69/08/216046908.db2.gz IEUZGDZMPZDVJC-SFHVURJKSA-N 1 0 328.460 1.647 50 0 EDAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1F ZINC000072157906 216048709 /nfs/dbraw/zinc/04/87/09/216048709.db2.gz BCCACCFEMMAAFB-INIZCTEOSA-N 1 0 335.423 1.823 50 0 EDAARO O=C(NCc1nnc2n1CCCC2)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000072168434 216059601 /nfs/dbraw/zinc/05/96/01/216059601.db2.gz DHEJXGVALQBSSQ-OAHLLOKOSA-N 1 0 325.416 1.621 50 0 EDAARO CN(CCc1cn[nH]c1)c1nc(-c2ccccn2)nc2c1CC[NH2+]CC2 ZINC000072420271 216208976 /nfs/dbraw/zinc/20/89/76/216208976.db2.gz ZNNLZIJMAAUROV-UHFFFAOYSA-N 1 0 349.442 1.629 50 0 EDAARO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)CCOc3ccccc3)CC[C@H]21 ZINC000072425398 216216297 /nfs/dbraw/zinc/21/62/97/216216297.db2.gz YNCDCDTYVQEOKS-DOTOQJQBSA-N 1 0 345.443 1.254 50 0 EDAARO CC(C)(O)CCc1cccc(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000072431868 216225186 /nfs/dbraw/zinc/22/51/86/216225186.db2.gz MJHQQLKHNSXICH-GOSISDBHSA-N 1 0 348.487 1.967 50 0 EDAARO CN(Cc1ccc(-n2cccn2)cc1)c1nc(N)nc2c1CC[NH2+]CC2 ZINC000072457624 216242959 /nfs/dbraw/zinc/24/29/59/216242959.db2.gz LYJFWLHPAVOYAP-UHFFFAOYSA-N 1 0 349.442 1.569 50 0 EDAARO Cc1cccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)n1 ZINC000023375570 212372797 /nfs/dbraw/zinc/37/27/97/212372797.db2.gz VANYQBBSRACPSY-IBGZPJMESA-N 1 0 332.492 1.353 50 0 EDAARO O=C(NCC1CCS(=O)(=O)CC1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023251538 212365462 /nfs/dbraw/zinc/36/54/62/212365462.db2.gz CAOWLUXOUKDLHT-LBPRGKRZSA-N 1 0 342.486 1.727 50 0 EDAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(C(N)=O)c1)c1cccc(F)c1 ZINC000023081694 212346329 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Cc1cc(=O)[nH]c(NCCNC(=O)c2ccc([C@H]3CCC[NH2+]3)s2)n1 ZINC000020535269 212144771 /nfs/dbraw/zinc/14/47/71/212144771.db2.gz OLZIJUBLTPEQOV-LLVKDONJSA-N 1 0 347.444 1.406 50 0 EDAARO CC1(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)CC[NH2+]CC1 ZINC000252571042 243860881 /nfs/dbraw/zinc/86/08/81/243860881.db2.gz XPFGZYINBSHEFR-SOLBZPMBSA-N 1 0 344.455 1.939 50 0 EDAARO CC[NH+](CC)C[C@@H](C)CNC(=O)c1c(O)nc2ccccn2c1=O ZINC000020356075 212122212 /nfs/dbraw/zinc/12/22/12/212122212.db2.gz POZKIZWLUBUPCI-LBPRGKRZSA-N 1 0 332.404 1.108 50 0 EDAARO O[C@H]1CCCC[C@@H]1[NH+]1CCN(CCn2cnc3ccccc32)CC1 ZINC000020149204 212106476 /nfs/dbraw/zinc/10/64/76/212106476.db2.gz PKHLDMCSJARBKY-OALUTQOASA-N 1 0 328.460 1.957 50 0 EDAARO CC[NH+]1CCN(Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)CC1 ZINC000019944430 212088296 /nfs/dbraw/zinc/08/82/96/212088296.db2.gz GATUKCNPSDJWCD-UHFFFAOYSA-N 1 0 347.854 1.988 50 0 EDAARO C[NH+](C)CC1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 ZINC000078394465 217046916 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CN(C)C(=O)CCc1ccccc1NC(=O)NCC[NH+]1CCCC1 ZINC000097527289 219033352 /nfs/dbraw/zinc/03/33/52/219033352.db2.gz QXQLVIVQGXFXKY-UHFFFAOYSA-N 1 0 332.448 1.925 50 0 EDAARO C[NH+](C)CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000004763212 210273972 /nfs/dbraw/zinc/27/39/72/210273972.db2.gz BQWKYYPRNBIALR-DTQAZKPQSA-N 1 0 327.384 1.728 50 0 EDAARO CC[C@H](NC(=O)c1ccc(OC)c(OCC[NH3+])c1)c1ccnn1C ZINC000426379633 254489989 /nfs/dbraw/zinc/48/99/89/254489989.db2.gz FKJMDICTGHGOJC-ZDUSSCGKSA-N 1 0 332.404 1.647 50 0 EDAARO Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000299738508 258010871 /nfs/dbraw/zinc/01/08/71/258010871.db2.gz BRYQYIGPNAQIIW-NXHRZFHOSA-N 1 0 346.475 1.856 50 0 EDAARO Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000299738507 258011038 /nfs/dbraw/zinc/01/10/38/258011038.db2.gz BRYQYIGPNAQIIW-JQHSSLGASA-N 1 0 346.475 1.856 50 0 EDAARO Cc1cc(=O)[nH]c(C)c1C(=O)N1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000299775233 258086114 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Nc1nc(CCNC(=O)C2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000299793644 258098696 /nfs/dbraw/zinc/09/86/96/258098696.db2.gz HJXNQMDYPQQTHI-UHFFFAOYSA-N 1 0 338.477 1.275 50 0 EDAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)no1 ZINC000027036532 258057874 /nfs/dbraw/zinc/05/78/74/258057874.db2.gz JVQPLRVZVUEHJY-GHMZBOCLSA-N 1 0 344.371 1.992 50 0 EDAARO [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000299755345 258074226 /nfs/dbraw/zinc/07/42/26/258074226.db2.gz ANQCUZOPAIBLOX-XDNAFOTISA-N 1 0 339.439 1.688 50 0 EDAARO CC(=O)N(C)CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000056479451 132197779 /nfs/dbraw/zinc/19/77/79/132197779.db2.gz CIMYPFWYWNMUNJ-UHFFFAOYSA-N 1 0 344.459 1.635 50 0 EDAARO O=C(Cn1cc(Br)cn1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333763810 141375992 /nfs/dbraw/zinc/37/59/92/141375992.db2.gz AWSFKDAPGHINKH-DGCLKSJQSA-N 1 0 341.253 1.636 50 0 EDAARO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc1 ZINC000091829900 292069314 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OUTJLHMEUPOIRX-GOSISDBHSA-N 1 0 332.444 1.772 50 0 EDAARO COc1ccc(CCN2C(=O)N[C@](C)(C3CC[NH2+]CC3)C2=O)cc1 ZINC000299768080 258082232 /nfs/dbraw/zinc/08/22/32/258082232.db2.gz IQACLTVFGZGBPI-GOSISDBHSA-N 1 0 331.416 1.548 50 0 EDAARO c1ccc(C[NH+]2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1 ZINC000055566598 132196375 /nfs/dbraw/zinc/19/63/75/132196375.db2.gz KCCRSIHFHNCQII-UHFFFAOYSA-N 1 0 345.410 1.995 50 0 EDAARO Cn1cc(C(=O)N2CCC([C@@H]3CCCO3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333644572 141349683 /nfs/dbraw/zinc/34/96/83/141349683.db2.gz XWTSAHRGIMWKQU-WBVHZDCISA-N 1 0 346.475 1.918 50 0 EDAARO CCO[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C12CCCCC2 ZINC000095988035 286492742 /nfs/dbraw/zinc/49/27/42/286492742.db2.gz MFHUJTBANCTQJI-CABCVRRESA-N 1 0 330.494 1.739 50 0 EDAARO C[C@@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)C[C@H]1C(N)=O ZINC000408473933 158371649 /nfs/dbraw/zinc/37/16/49/158371649.db2.gz UCKSHQJFOWPUTM-NOZJJQNGSA-N 1 0 339.233 1.937 50 0 EDAARO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 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CC[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000072267893 441211697 /nfs/dbraw/zinc/21/16/97/441211697.db2.gz CXVGDRVDGYMFOH-HZPDHXFCSA-N 1 0 339.867 1.828 50 0 EDAARO Cc1noc(Cl)c1CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269007 441212154 /nfs/dbraw/zinc/21/21/54/441212154.db2.gz RLYRJWAPGWSZJQ-UONOGXRCSA-N 1 0 341.839 1.627 50 0 EDAARO O=C(Cn1ccc2ccccc21)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269415 441213965 /nfs/dbraw/zinc/21/39/65/441213965.db2.gz IOGNDGYVBZZZMY-ROUUACIJSA-N 1 0 327.428 1.699 50 0 EDAARO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016022288 441214083 /nfs/dbraw/zinc/21/40/83/441214083.db2.gz FWNYGABLTFFVSY-KDSOVNPWSA-N 1 0 345.374 1.365 50 0 EDAARO C[C@H]([C@H](C)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)n1cccn1 ZINC000072269705 441214826 /nfs/dbraw/zinc/21/48/26/441214826.db2.gz DLNDDCFWDPAGNS-MJBXVCDLSA-N 1 0 333.388 1.591 50 0 EDAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1c1ncccn1)c1cccs1 ZINC000072273050 441215640 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CC1CC[NH+](CC(=O)N2CCN(CCOc3ccccc3)CC2)CC1 ZINC000061758055 441287379 /nfs/dbraw/zinc/28/73/79/441287379.db2.gz JRMKIQAWYGYBMQ-UHFFFAOYSA-N 1 0 345.487 1.942 50 0 EDAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1nccs1 ZINC000048325624 441293291 /nfs/dbraw/zinc/29/32/91/441293291.db2.gz BGNUFFLNHCBTKV-UHFFFAOYSA-N 1 0 330.457 1.942 50 0 EDAARO O=C(NCc1nnc2n1CCC2)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964587 441242758 /nfs/dbraw/zinc/24/27/58/441242758.db2.gz ORVOHBXSYAMSKQ-HNNXBMFYSA-N 1 0 340.431 1.298 50 0 EDAARO CCCNC(=O)CN1CCC([NH2+]Cc2cn(C)nc2C(C)C)CC1 ZINC000048711760 441325982 /nfs/dbraw/zinc/32/59/82/441325982.db2.gz KAOWPESERVKESP-UHFFFAOYSA-N 1 0 335.496 1.624 50 0 EDAARO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccccc2Cl)C[C@H](C)O1 ZINC000048783180 441332396 /nfs/dbraw/zinc/33/23/96/441332396.db2.gz SZNYTSITFUFRFF-BETUJISGSA-N 1 0 346.880 1.869 50 0 EDAARO COc1cccc(-n2cc(CN(C)C(=O)C[C@@H]3COCC[NH2+]3)cn2)c1 ZINC000082119975 441334355 /nfs/dbraw/zinc/33/43/55/441334355.db2.gz 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443025227 /nfs/dbraw/zinc/02/52/27/443025227.db2.gz YSYIFAWBDREYEO-IJLUTSLNSA-N 1 0 349.460 1.918 50 0 EDAARO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CC1(Cl)Cl ZINC000252512540 443039370 /nfs/dbraw/zinc/03/93/70/443039370.db2.gz SAFBESCINPNDFZ-MELADBBJSA-N 1 0 343.254 1.932 50 0 EDAARO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000252527603 443040967 /nfs/dbraw/zinc/04/09/67/443040967.db2.gz CZIHGXQFMONHAG-ZOBORPQBSA-N 1 0 330.494 1.340 50 0 EDAARO C(CN1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1)N1CCOCC1 ZINC000253370198 443051214 /nfs/dbraw/zinc/05/12/14/443051214.db2.gz NQAVKQAAPBEIDN-IPMKNSEASA-N 1 0 349.519 1.330 50 0 EDAARO Cc1cnn(C[C@@H]2CCCC[N@@H+]2C[C@H](O)COC[C@H]2CCCO2)c1 ZINC000253599759 443075086 /nfs/dbraw/zinc/07/50/86/443075086.db2.gz UEFITWMWCDTTBP-OKZBNKHCSA-N 1 0 337.464 1.603 50 0 EDAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000222674096 443080905 /nfs/dbraw/zinc/08/09/05/443080905.db2.gz 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CS(=O)(=O)c1cc(C(=O)N2CC[NH2+]CC2)c(Cl)cc1Cl ZINC000237422986 443170563 /nfs/dbraw/zinc/17/05/63/443170563.db2.gz CNUSFRWOONMNRD-UHFFFAOYSA-N 1 0 337.228 1.442 50 0 EDAARO CC[C@H](C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000257365306 443158235 /nfs/dbraw/zinc/15/82/35/443158235.db2.gz HNWWIXAPRRYEKH-OBJOEFQTSA-N 1 0 345.451 1.686 50 0 EDAARO Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1 ZINC000257366358 443158924 /nfs/dbraw/zinc/15/89/24/443158924.db2.gz UHVSKAXJCNJHQC-OGWOLHLISA-N 1 0 345.443 1.681 50 0 EDAARO Cc1cc(C)cc([C@@H](O)CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000241515536 443208356 /nfs/dbraw/zinc/20/83/56/443208356.db2.gz OGDAOEYQLLHKSH-AEFFLSMTSA-N 1 0 348.491 1.272 50 0 EDAARO COCCn1cncc1CN1CCN(c2nc3ccccc3o2)CC1 ZINC000244796051 443214495 /nfs/dbraw/zinc/21/44/95/443214495.db2.gz RRXXINZXPQBCBQ-UHFFFAOYSA-N 1 0 341.415 1.993 50 0 EDAARO CC[C@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1ccnn1C ZINC000244882848 443215847 /nfs/dbraw/zinc/21/58/47/443215847.db2.gz YAHJOKJCYYBMNW-XQQFMLRXSA-N 1 0 331.424 1.335 50 0 EDAARO C[C@@H](C(=O)N1CCC2(COC(=O)O2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000244866478 443216051 /nfs/dbraw/zinc/21/60/51/443216051.db2.gz VWWIRXLAMSMHKN-AWEZNQCLSA-N 1 0 344.411 1.961 50 0 EDAARO O=C(NCCc1ccccc1)C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000244899328 443217081 /nfs/dbraw/zinc/21/70/81/443217081.db2.gz ZHXOXGDLSFZXSU-SFHVURJKSA-N 1 0 332.444 1.473 50 0 EDAARO Cc1ccc(-c2cc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)[nH]n2)o1 ZINC000299764015 444137271 /nfs/dbraw/zinc/13/72/71/444137271.db2.gz JAMIWJZOMJIXIN-GJZGRUSLSA-N 1 0 330.388 1.571 50 0 EDAARO Cc1n[nH]c(C)c1CCC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000328586617 444387300 /nfs/dbraw/zinc/38/73/00/444387300.db2.gz LKZAMHWCKMFSFY-QGZVFWFLSA-N 1 0 347.507 1.588 50 0 EDAARO C[NH+](C)CCCOC1CCN(C(=O)C2CN(CC(F)F)C2)CC1 ZINC000328594491 444388788 /nfs/dbraw/zinc/38/87/88/444388788.db2.gz NXLFNSKRSIMZCB-UHFFFAOYSA-N 1 0 333.423 1.143 50 0 EDAARO Cc1nnc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000329964252 444789371 /nfs/dbraw/zinc/78/93/71/444789371.db2.gz UKBNJUXXXHXEPC-CQSZACIVSA-N 1 0 331.445 1.836 50 0 EDAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc(Cn2ccnc2)o1 ZINC000426496806 447457021 /nfs/dbraw/zinc/45/70/21/447457021.db2.gz FUQSJVDBFPCOST-HOTGVXAUSA-N 1 0 344.415 1.508 50 0 EDAARO COc1ccnc(CN(C)C(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000426534341 447465895 /nfs/dbraw/zinc/46/58/95/447465895.db2.gz BSOUGUSIVKMKBC-AWEZNQCLSA-N 1 0 343.431 1.412 50 0 EDAARO CNC(=O)C1(NC(=O)c2ccc(OC)cc2OCC[NH3+])CCCCC1 ZINC000426668392 447488523 /nfs/dbraw/zinc/48/85/23/447488523.db2.gz OZAQLJLFFJUQIE-UHFFFAOYSA-N 1 0 349.431 1.211 50 0 EDAARO COc1ccc(CCNC(=O)NC[C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000426700073 447492784 /nfs/dbraw/zinc/49/27/84/447492784.db2.gz QDGWFQGGAQSVNR-QGZVFWFLSA-N 1 0 349.475 1.774 50 0 EDAARO CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000426544626 447468522 /nfs/dbraw/zinc/46/85/22/447468522.db2.gz CCORMMVJNMCWON-UHFFFAOYSA-N 1 0 335.452 1.214 50 0 EDAARO C[C@H](NC(=O)Cc1ccc(OCC[NH3+])cc1)c1cn2ncsc2n1 ZINC000426551984 447469584 /nfs/dbraw/zinc/46/95/84/447469584.db2.gz NAXKHPVSEFSMJQ-NSHDSACASA-N 1 0 345.428 1.548 50 0 EDAARO C[C@H]1CCSCC[N@@H+]1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000408514989 447669016 /nfs/dbraw/zinc/66/90/16/447669016.db2.gz XRSFZQDVIZIGKC-QWHCGFSZSA-N 1 0 334.441 1.471 50 0 EDAARO Cc1c[nH]cc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000408522330 447672427 /nfs/dbraw/zinc/67/24/27/447672427.db2.gz HSGIDCJPKADUDL-HOCLYGCPSA-N 1 0 334.464 1.630 50 0 EDAARO CC[N@H+](C)C[C@H](O)CN1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523121 447676072 /nfs/dbraw/zinc/67/60/72/447676072.db2.gz HBIIJBBBZPZNOC-IRXDYDNUSA-N 1 0 348.491 1.448 50 0 EDAARO C[C@@H](CNC(=O)N(C)Cc1nc(-c2ccncc2)no1)C[NH+](C)C ZINC000534589169 448456653 /nfs/dbraw/zinc/45/66/53/448456653.db2.gz NOSXICQWWUHUDS-LBPRGKRZSA-N 1 0 332.408 1.471 50 0 EDAARO CC(C)C[C@H](C)OC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000583651818 448457857 /nfs/dbraw/zinc/45/78/57/448457857.db2.gz TUPIXXGDZVNTFU-DZGCQCFKSA-N 1 0 325.453 1.842 50 0 EDAARO CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1F ZINC000521394453 448979130 /nfs/dbraw/zinc/97/91/30/448979130.db2.gz JHCAJGTYUBHTQO-BONVTDFDSA-N 1 0 343.424 1.497 50 0 EDAARO c1cncc(-c2n[nH]c(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)n2)c1 ZINC000077407838 487036706 /nfs/dbraw/zinc/03/67/06/487036706.db2.gz SXUBJPHQFMLENI-OAHLLOKOSA-N 1 0 343.431 1.727 50 0 EDAARO CNC(=O)COc1ccccc1C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000083881837 486236684 /nfs/dbraw/zinc/23/66/84/486236684.db2.gz NOMWJWQEWLDRNF-HNNXBMFYSA-N 1 0 328.416 1.675 50 0 EDAARO c1cn2c(n1)[C@@H](C[NH2+]Cc1cnc(N3CCOCC3)nc1)CCC2 ZINC000084613348 486272065 /nfs/dbraw/zinc/27/20/65/486272065.db2.gz BLOHNAYOWPQGAJ-OAHLLOKOSA-N 1 0 328.420 1.177 50 0 EDAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000084736326 486283184 /nfs/dbraw/zinc/28/31/84/486283184.db2.gz PYRDVNZENIXTSQ-NVXWUHKLSA-N 1 0 333.432 1.287 50 0 EDAARO C[NH+](C)C1CCN(S(=O)(=O)CCOc2ccccc2F)CC1 ZINC000670446954 486525995 /nfs/dbraw/zinc/52/59/95/486525995.db2.gz QBQDRENSGDSCSM-UHFFFAOYSA-N 1 0 330.425 1.560 50 0 EDAARO COc1cc(Cl)cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000670467805 486558768 /nfs/dbraw/zinc/55/87/68/486558768.db2.gz NQCUWQMGPOGLJK-CQSZACIVSA-N 1 0 326.824 1.925 50 0 EDAARO C[N@@H+]1CC[C@@](C)(C(=O)NCc2nncn2CCc2ccccc2)C1 ZINC000670471676 486563745 /nfs/dbraw/zinc/56/37/45/486563745.db2.gz RNCIUWKDCXMUNK-GOSISDBHSA-N 1 0 327.432 1.479 50 0 EDAARO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000181620190 528386330 /nfs/dbraw/zinc/38/63/30/528386330.db2.gz JWGQFFAOPVOACN-UHFFFAOYSA-N 1 0 348.447 1.957 50 0 EDAARO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]([NH2+]C)C2)c1 ZINC000133593401 529157157 /nfs/dbraw/zinc/15/71/57/529157157.db2.gz MOFKAJYFUKTKTA-LLVKDONJSA-N 1 0 328.409 1.443 50 0 EDAARO Cc1cc(OC(F)F)c(C(=O)NC[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000888096598 591027383 /nfs/dbraw/zinc/02/73/83/591027383.db2.gz LQWLGSNTYVSMBH-SECBINFHSA-N 1 0 332.372 1.909 50 0 EDAARO [NH3+]C[C@@H](O)CC(=O)NCC1(c2ccccc2Br)CC1 ZINC000888096610 591027502 /nfs/dbraw/zinc/02/75/02/591027502.db2.gz MHJFEYGFJGXZNL-JTQLQIEISA-N 1 0 327.222 1.307 50 0 EDAARO CCNC(=O)N1CCc2ccc(NC(=O)C[C@]3(O)CCC[NH2+]C3)cc21 ZINC000888096982 591028299 /nfs/dbraw/zinc/02/82/99/591028299.db2.gz YESHBXLRWHGHLL-GOSISDBHSA-N 1 0 346.431 1.222 50 0 EDAARO Cc1cc(CNC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)on1 ZINC000864096522 596754144 /nfs/dbraw/zinc/75/41/44/596754144.db2.gz CQNBBVVYWXKDEV-CQSZACIVSA-N 1 0 336.436 1.768 50 0 EDAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)CSc3ccccn3)C2)CC1 ZINC000012306242 711383015 /nfs/dbraw/zinc/38/30/15/711383015.db2.gz YKHKJFHCBMIZBA-OAHLLOKOSA-N 1 0 348.516 1.849 50 0 EDAARO Cc1n[nH]c(C)c1CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000097657218 219045415 /nfs/dbraw/zinc/04/54/15/219045415.db2.gz 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NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)CCCC3)C1 ZINC000097527260 219033228 /nfs/dbraw/zinc/03/32/28/219033228.db2.gz STPBSKTVXGISER-QGZVFWFLSA-N 1 0 329.444 1.379 50 0 EDAARO C[C@@H](NC(=O)Cc1ccc(OCC[NH3+])cc1)c1cn2ncsc2n1 ZINC000426551983 254495755 /nfs/dbraw/zinc/49/57/55/254495755.db2.gz NAXKHPVSEFSMJQ-LLVKDONJSA-N 1 0 345.428 1.548 50 0 EDAARO O=C1Nc2ccccc2[C@@]12[NH2+]C[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000018066356 296401883 /nfs/dbraw/zinc/40/18/83/296401883.db2.gz JDMJJGKWPZNOCL-PSGMQZRDSA-N 1 0 347.374 1.239 50 0 EDAARO C[C@@H](CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C[NH+](C)C ZINC000294068925 257936021 /nfs/dbraw/zinc/93/60/21/257936021.db2.gz HHKAHMRCOQTCMV-ZDUSSCGKSA-N 1 0 330.432 1.972 50 0 EDAARO Cc1c(C(=O)N2CC[C@H](OCC(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000236642218 258005672 /nfs/dbraw/zinc/00/56/72/258005672.db2.gz QTVMZMKNEKKLAF-HNNXBMFYSA-N 1 0 335.452 1.398 50 0 EDAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)Cc2ccccn2)CC1 ZINC000299778208 258087590 /nfs/dbraw/zinc/08/75/90/258087590.db2.gz ILKLMTVWUHITTN-SFHVURJKSA-N 1 0 330.476 1.643 50 0 EDAARO O=C(NCCCO)c1cn(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)nn1 ZINC000299782953 258091191 /nfs/dbraw/zinc/09/11/91/258091191.db2.gz GHMLOJKQJAPPRD-OAHLLOKOSA-N 1 0 347.463 1.384 50 0 EDAARO Cc1nn[nH]c1C(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000299787934 258094579 /nfs/dbraw/zinc/09/45/79/258094579.db2.gz YYOSZUHBWAVINH-MRXNPFEDSA-N 1 0 327.432 1.798 50 0 EDAARO C[NH+]1CCC(N2CCC[C@H]2C(=O)N2CCOc3ccccc3C2)CC1 ZINC000299766730 258081433 /nfs/dbraw/zinc/08/14/33/258081433.db2.gz KSRQTALEUZSEBV-SFHVURJKSA-N 1 0 343.471 1.966 50 0 EDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000058392201 135612415 /nfs/dbraw/zinc/61/24/15/135612415.db2.gz OEUYOXYDBSDTFD-UHFFFAOYSA-N 1 0 344.463 1.316 50 0 EDAARO CN1CCO[C@H]2CCN(C(=O)c3n[nH]nc3-c3ccccc3)C[C@H]21 ZINC000408030661 158245327 /nfs/dbraw/zinc/24/53/27/158245327.db2.gz MMTZBZSWTVXXQR-KGLIPLIRSA-N 1 0 327.388 1.017 50 0 EDAARO CC[C@@H](O)C[NH+]1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000123595386 287388973 /nfs/dbraw/zinc/38/89/73/287388973.db2.gz FRPZWELSLQGIIX-QGZVFWFLSA-N 1 0 329.448 1.371 50 0 EDAARO CC1(C)Cc2c(sc3nc(N4CC[NH2+]CC4)n4ncnc4c23)CO1 ZINC000002216939 275871390 /nfs/dbraw/zinc/87/13/90/275871390.db2.gz XGXRMDSUCPRTGW-UHFFFAOYSA-N 1 0 344.444 1.600 50 0 EDAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3n(n2)CCCN(C(C)=O)C3)C1 ZINC000065526507 276114768 /nfs/dbraw/zinc/11/47/68/276114768.db2.gz QKIHJFBDBKTXDX-OAHLLOKOSA-N 1 0 347.463 1.192 50 0 EDAARO CCC[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000095422604 276269757 /nfs/dbraw/zinc/26/97/57/276269757.db2.gz NRBCVHRNTQKRPM-OAHLLOKOSA-N 1 0 339.505 1.901 50 0 EDAARO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)[C@H]2CCO[C@H]2C)c1 ZINC000230120280 278918632 /nfs/dbraw/zinc/91/86/32/278918632.db2.gz NLWOFPFCXFQOSS-RDJZCZTQSA-N 1 0 340.489 1.866 50 0 EDAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1 ZINC000288429701 288483996 /nfs/dbraw/zinc/48/39/96/288483996.db2.gz BNTMQJBQTSZYFJ-XHDPSFHLSA-N 1 0 335.429 1.608 50 0 EDAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000237408334 297016119 /nfs/dbraw/zinc/01/61/19/297016119.db2.gz IXPPVLUIMWVHBC-LMSBXDPUSA-N 1 0 331.460 1.787 50 0 EDAARO Cc1cc(NC(=O)NC[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)n(C)n1 ZINC000043432643 301353530 /nfs/dbraw/zinc/35/35/30/301353530.db2.gz VQCQNJDJJSRLID-DOTOQJQBSA-N 1 0 345.447 1.761 50 0 EDAARO CN(C(=O)NCC1CC[NH+](CCO)CC1)[C@@H](c1ccccn1)C1CC1 ZINC000426361299 447425340 /nfs/dbraw/zinc/42/53/40/447425340.db2.gz PGSLFYBHEMGKEY-GOSISDBHSA-N 1 0 346.475 1.878 50 0 EDAARO C[NH+]1CCN(c2ncnc3c2nnn3Cc2ccccc2Cl)CC1 ZINC000000159225 440803900 /nfs/dbraw/zinc/80/39/00/440803900.db2.gz HBRLURZQOGXULO-UHFFFAOYSA-N 1 0 343.822 1.675 50 0 EDAARO CCS(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000000262539 440811274 /nfs/dbraw/zinc/81/12/74/440811274.db2.gz HBHSCOKLORZUMF-CQSZACIVSA-N 1 0 345.509 1.039 50 0 EDAARO O=c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)[nH]c(=O)[nH]1 ZINC000044933942 440912984 /nfs/dbraw/zinc/91/29/84/440912984.db2.gz WEVACXZTXOPIBI-LLVKDONJSA-N 1 0 326.356 1.584 50 0 EDAARO O=C(CCN1C(=O)COc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000002934047 440884236 /nfs/dbraw/zinc/88/42/36/440884236.db2.gz AWYAUWYBALIDPK-UHFFFAOYSA-N 1 0 345.443 1.794 50 0 EDAARO O=C(NCCn1ccnc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000044966616 440928176 /nfs/dbraw/zinc/92/81/76/440928176.db2.gz UAKFBPWFRUFWNG-UHFFFAOYSA-N 1 0 337.493 1.544 50 0 EDAARO CC[NH+](CC)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000005975753 440976359 /nfs/dbraw/zinc/97/63/59/440976359.db2.gz GNCZMFXFSSQLQG-UHFFFAOYSA-N 1 0 339.461 1.751 50 0 EDAARO Cn1nnnc1SCC[NH2+]Cc1ccc(Br)cc1 ZINC000006702265 441008985 /nfs/dbraw/zinc/00/89/85/441008985.db2.gz NZRBDLCVIPFIPD-UHFFFAOYSA-N 1 0 328.239 1.855 50 0 EDAARO COCC[NH+](CCOC)C[C@@H](O)COCc1ccc(OC)cc1 ZINC000006936572 441026690 /nfs/dbraw/zinc/02/66/90/441026690.db2.gz QYXWCSBBONNTEK-MRXNPFEDSA-N 1 0 327.421 1.168 50 0 EDAARO C[NH+]1CCN(c2cc(CNC(=O)NCc3ccoc3)ccn2)CC1 ZINC000045845863 441047617 /nfs/dbraw/zinc/04/76/17/441047617.db2.gz HENRRAPMHKHKJL-UHFFFAOYSA-N 1 0 329.404 1.426 50 0 EDAARO COc1cccc([C@@H](CNC(=O)[C@H](C)n2cncn2)[NH+]2CCCC2)c1 ZINC000045872386 441053620 /nfs/dbraw/zinc/05/36/20/441053620.db2.gz CNSHQIUGEXNCDP-WMLDXEAASA-N 1 0 343.431 1.801 50 0 EDAARO Cn1c2ccc(C[NH2+]C[C@H](O)c3cccc(O)c3)cc2n(C)c1=O ZINC000057291996 441105970 /nfs/dbraw/zinc/10/59/70/441105970.db2.gz BYVUNQNCHYGHAJ-KRWDZBQOSA-N 1 0 327.384 1.406 50 0 EDAARO Cc1ccc([C@](C)(O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000071186205 441142043 /nfs/dbraw/zinc/14/20/43/441142043.db2.gz SEGHXWYAULHDSU-NVXWUHKLSA-N 1 0 340.489 1.464 50 0 EDAARO Cc1ccnn1CC(=O)N[C@H]1CCCc2c1cnn2-c1cc[nH+]cc1 ZINC000071195708 441142116 /nfs/dbraw/zinc/14/21/16/441142116.db2.gz NSRAVEWFOZULHJ-INIZCTEOSA-N 1 0 336.399 1.966 50 0 EDAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](CCNC(N)=O)C2)cc1C ZINC000071419050 441146859 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Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cc2)cs1 ZINC000058327552 441179803 /nfs/dbraw/zinc/17/98/03/441179803.db2.gz ASRFHPKVECAYIL-QGZVFWFLSA-N 1 0 347.484 1.901 50 0 EDAARO c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1CN1CCOCC1)CN2 ZINC000058326301 441179867 /nfs/dbraw/zinc/17/98/67/441179867.db2.gz SCXRBBHRVXEBMD-INIZCTEOSA-N 1 0 341.459 1.547 50 0 EDAARO COCC[N@H+](CCNc1cnn(C)c(=O)c1Br)C1CC1 ZINC000071903121 441190991 /nfs/dbraw/zinc/19/09/91/441190991.db2.gz SWONURHTOLAWRE-UHFFFAOYSA-N 1 0 345.241 1.066 50 0 EDAARO COc1c(C[NH2+]CCNC(=O)Cc2cccc(F)c2)c(C)nn1C ZINC000058344960 441184441 /nfs/dbraw/zinc/18/44/41/441184441.db2.gz GEEDVUTYLFXZOD-UHFFFAOYSA-N 1 0 334.395 1.325 50 0 EDAARO COCc1ccccc1CNC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000071897054 441187755 /nfs/dbraw/zinc/18/77/55/441187755.db2.gz NFCVQYXHWSDXSW-UKRRQHHQSA-N 1 0 333.432 1.035 50 0 EDAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@H](C)CCO ZINC000071639694 441148760 /nfs/dbraw/zinc/14/87/60/441148760.db2.gz PZPPTKPRARETEC-GFCCVEGCSA-N 1 0 333.432 1.849 50 0 EDAARO C[NH+](C)CCN(C(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 ZINC000058169372 441155429 /nfs/dbraw/zinc/15/54/29/441155429.db2.gz FRRSODAZSLYFMQ-UHFFFAOYSA-N 1 0 344.440 1.557 50 0 EDAARO O=C(CN1C(=O)COc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000058173890 441156200 /nfs/dbraw/zinc/15/62/00/441156200.db2.gz MKFXSJLQANWHJD-UHFFFAOYSA-N 1 0 329.400 1.109 50 0 EDAARO C[NH+]1CCC(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000058202964 441159451 /nfs/dbraw/zinc/15/94/51/441159451.db2.gz AWJIVWRYVXYZHL-UHFFFAOYSA-N 1 0 344.864 1.572 50 0 EDAARO Cn1nc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)ccc1=O ZINC000071820061 441159552 /nfs/dbraw/zinc/15/95/52/441159552.db2.gz VAGFBWSBQFLVSP-UHFFFAOYSA-N 1 0 332.448 1.509 50 0 EDAARO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CN(C)c1ccccc1 ZINC000071904004 441191295 /nfs/dbraw/zinc/19/12/95/441191295.db2.gz ZJGYECLFEOVNQX-UHFFFAOYSA-N 1 0 332.492 1.607 50 0 EDAARO CCC1(CC)NC(=O)N(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000058434961 441195308 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/nfs/dbraw/zinc/17/79/08/441177908.db2.gz BKWZBARWSPLNNR-ZDUSSCGKSA-N 1 0 335.404 1.143 50 0 EDAARO CC[NH+](CC)CCNC(=O)CNC(=O)c1cc(-c2ccccc2)on1 ZINC000058342605 441182503 /nfs/dbraw/zinc/18/25/03/441182503.db2.gz SYZAQPPTUSNPLS-UHFFFAOYSA-N 1 0 344.415 1.529 50 0 EDAARO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000071882386 441183227 /nfs/dbraw/zinc/18/32/27/441183227.db2.gz KUDDDHAUFXGLSO-KRWDZBQOSA-N 1 0 325.412 1.826 50 0 EDAARO COCCN1C(=O)N(C)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014535622 441185074 /nfs/dbraw/zinc/18/50/74/441185074.db2.gz NOIDFPMLNDHMFU-HNNXBMFYSA-N 1 0 335.448 1.718 50 0 EDAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cnc[nH]c2=O)CC1 ZINC000072453551 441232109 /nfs/dbraw/zinc/23/21/09/441232109.db2.gz YUDIAYXUEDCSAD-UHFFFAOYSA-N 1 0 340.427 1.549 50 0 EDAARO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000072577459 441239056 /nfs/dbraw/zinc/23/90/56/441239056.db2.gz MULUICSTZRXUJI-WBVHZDCISA-N 1 0 340.489 1.598 50 0 EDAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000058406118 441192242 /nfs/dbraw/zinc/19/22/42/441192242.db2.gz JRWXXHNEAPJHPH-AWEZNQCLSA-N 1 0 329.452 1.343 50 0 EDAARO C[C@H]1SCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1 ZINC000071911168 441194148 /nfs/dbraw/zinc/19/41/48/441194148.db2.gz WOJAFUVMEFZWAJ-CXAGYDPISA-N 1 0 345.468 1.763 50 0 EDAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCC2(CNC(=O)O2)CC1 ZINC000072165725 441206764 /nfs/dbraw/zinc/20/67/64/441206764.db2.gz ZJWCFJZFAOTDEA-CYBMUJFWSA-N 1 0 329.400 1.478 50 0 EDAARO Cn1cc(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000072269537 441213492 /nfs/dbraw/zinc/21/34/92/441213492.db2.gz PMTVNJPGURZTQZ-OALUTQOASA-N 1 0 341.455 1.778 50 0 EDAARO CN(Cc1ccc(Cl)cc1)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072290846 441223073 /nfs/dbraw/zinc/22/30/73/441223073.db2.gz LCJUUMPCYMWWSJ-OAHLLOKOSA-N 1 0 343.880 1.797 50 0 EDAARO C[C@@]1([C@@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)NC(=O)NC1=O ZINC000072300746 441227339 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COCC[N@@H+]1CCCN(C(=O)c2cncn2-c2ccccc2)CC1 ZINC000048262962 441280790 /nfs/dbraw/zinc/28/07/90/441280790.db2.gz VLJDBKILTXCDGJ-UHFFFAOYSA-N 1 0 328.416 1.667 50 0 EDAARO Cc1cccc2c(=O)n(CCC(=O)NC[C@H]3CCC[N@H+]3C)cnc12 ZINC000048274841 441282499 /nfs/dbraw/zinc/28/24/99/441282499.db2.gz HSCNQVIXWPMVED-CQSZACIVSA-N 1 0 328.416 1.305 50 0 EDAARO CCc1cc(N2CCC[C@H](Cn3cc(CO)nn3)C2)nc(N(C)C)[nH+]1 ZINC000023159435 441291632 /nfs/dbraw/zinc/29/16/32/441291632.db2.gz CDFRREPVETUSQP-ZDUSSCGKSA-N 1 0 345.451 1.105 50 0 EDAARO COc1ccc(NC(=O)N2CCN3CC[N@H+](C)C[C@@H]3C2)cc1Cl ZINC000106258135 441330175 /nfs/dbraw/zinc/33/01/75/441330175.db2.gz SHNUCBWGRWNXOJ-CYBMUJFWSA-N 1 0 338.839 1.812 50 0 EDAARO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000106380699 441336106 /nfs/dbraw/zinc/33/61/06/441336106.db2.gz BJDQQRPTRDBONR-QGZVFWFLSA-N 1 0 347.459 1.106 50 0 EDAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)c1cn2cc(Cl)ccc2n1 ZINC000082138432 441337142 /nfs/dbraw/zinc/33/71/42/441337142.db2.gz FFBSAQPLKCHPIQ-UHFFFAOYSA-N 1 0 344.806 1.608 50 0 EDAARO CC(=O)N1CCC[N@H+](Cc2ccccc2-c2nc(C)cc(=O)[nH]2)CC1 ZINC000048501638 441309946 /nfs/dbraw/zinc/30/99/46/441309946.db2.gz MYGHANQMPCVMAN-UHFFFAOYSA-N 1 0 340.427 1.800 50 0 EDAARO O=C(NCc1ccccc1)c1ccc(=O)n(CC[NH+]2CCCC2)c1 ZINC000064760481 441391714 /nfs/dbraw/zinc/39/17/14/441391714.db2.gz DFTALDAMGJPHFY-UHFFFAOYSA-N 1 0 325.412 1.874 50 0 EDAARO O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NC[C@@H]1Cc2ccccc2O1 ZINC000107342726 441410525 /nfs/dbraw/zinc/41/05/25/441410525.db2.gz KBJJNWKAVJYNCC-XYJFISCASA-N 1 0 330.428 1.750 50 0 EDAARO CCCc1nc(C)cc(N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)n1 ZINC000107413139 441415573 /nfs/dbraw/zinc/41/55/73/441415573.db2.gz JTFLLCOIXPEPCG-GOSISDBHSA-N 1 0 331.464 1.528 50 0 EDAARO CC[C@@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CC[N@@H+]1C[C@@H](C)O ZINC000084736480 441417150 /nfs/dbraw/zinc/41/71/50/441417150.db2.gz OJWJREXTYAITAR-NVXWUHKLSA-N 1 0 344.459 1.280 50 0 EDAARO COc1cc(NC(=O)C[NH2+]CCN2CCOC2=O)ccc1Cl ZINC000065381353 441420678 /nfs/dbraw/zinc/42/06/78/441420678.db2.gz MQCJUAVKJUACDX-UHFFFAOYSA-N 1 0 327.768 1.329 50 0 EDAARO COc1ccccc1CNC(=O)C[NH2+]Cc1ccc2nonc2c1 ZINC000065384065 441421927 /nfs/dbraw/zinc/42/19/27/441421927.db2.gz YMRNEOFYHZJVAG-UHFFFAOYSA-N 1 0 326.356 1.637 50 0 EDAARO CCC(CC)[C@H](CNC(=O)NCc1nnc2n1CCC2)[NH+]1CCCC1 ZINC000065400232 441425175 /nfs/dbraw/zinc/42/51/75/441425175.db2.gz DTVWLFQESJPKMD-HNNXBMFYSA-N 1 0 348.495 1.924 50 0 EDAARO O=C(NC[C@@H](O)C[NH+]1CCCCCC1)c1cccc2c1OCCO2 ZINC000426420073 447440219 /nfs/dbraw/zinc/44/02/19/447440219.db2.gz WWPMTFDCIFYRNV-CQSZACIVSA-N 1 0 334.416 1.425 50 0 EDAARO CCC[NH+]1CCC(CNC(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000065490308 441444024 /nfs/dbraw/zinc/44/40/24/441444024.db2.gz HOBXQFGWRPRBLP-UHFFFAOYSA-N 1 0 343.435 1.906 50 0 EDAARO COc1cccc([C@@H](CNC(=O)C2=NNC(=O)CC2)[NH+]2CCCC2)c1 ZINC000065608294 441468824 /nfs/dbraw/zinc/46/88/24/441468824.db2.gz CYSZVDSVXGUAPL-MRXNPFEDSA-N 1 0 344.415 1.214 50 0 EDAARO CC[C@H](CNC(=O)c1ccc(=O)[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000029908064 441476961 /nfs/dbraw/zinc/47/69/61/441476961.db2.gz QOEWFZYMGQVXMJ-OAHLLOKOSA-N 1 0 326.400 1.749 50 0 EDAARO CCc1nc(CN2CCC[C@H]([NH2+]CC3CCN(C(C)=O)CC3)C2)no1 ZINC000075133989 441500711 /nfs/dbraw/zinc/50/07/11/441500711.db2.gz DMHGDCPXNYAELV-INIZCTEOSA-N 1 0 349.479 1.445 50 0 EDAARO COc1c(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c(C(C)C)nn1C ZINC000065520802 441450342 /nfs/dbraw/zinc/45/03/42/441450342.db2.gz WJKYTWHUTIWGEP-GFCCVEGCSA-N 1 0 344.481 1.066 50 0 EDAARO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065564761 441459800 /nfs/dbraw/zinc/45/98/00/441459800.db2.gz MYQOOJXLAFLZDR-JQHSSLGASA-N 1 0 332.444 1.961 50 0 EDAARO NC(=O)C1(C[NH2+]Cc2nccn2Cc2ccccc2)CCOCC1 ZINC000086250337 441460489 /nfs/dbraw/zinc/46/04/89/441460489.db2.gz ZVOPNJVUIFURTR-UHFFFAOYSA-N 1 0 328.416 1.303 50 0 EDAARO Cn1c2ccc(N)cc2nc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000032123848 441546761 /nfs/dbraw/zinc/54/67/61/441546761.db2.gz BDYQAVMUVYQSCP-UONOGXRCSA-N 1 0 349.438 1.937 50 0 EDAARO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000075900793 441565185 /nfs/dbraw/zinc/56/51/85/441565185.db2.gz DTLQXUASPNGXBG-KSSFIOAISA-N 1 0 347.434 1.899 50 0 EDAARO CCn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000076047133 441584883 /nfs/dbraw/zinc/58/48/83/441584883.db2.gz XCZMCRUUVYIJKU-HOTGVXAUSA-N 1 0 342.447 1.799 50 0 EDAARO C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000076055967 441588608 /nfs/dbraw/zinc/58/86/08/441588608.db2.gz GLKKBMUUKCKSFN-HZMBPMFUSA-N 1 0 344.864 1.766 50 0 EDAARO CNC(=O)CC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000089894195 441591723 /nfs/dbraw/zinc/59/17/23/441591723.db2.gz FDWMBEJCTOWJFZ-OAHLLOKOSA-N 1 0 331.460 1.882 50 0 EDAARO CC[C@H]1CN(C(=O)Cn2c(C)nc3ccccc3c2=O)C[C@@H]1[NH+](C)C ZINC000089948450 441602628 /nfs/dbraw/zinc/60/26/28/441602628.db2.gz MVLZNOASOXBXRS-YOEHRIQHSA-N 1 0 342.443 1.504 50 0 EDAARO CCn1ccnc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1=O ZINC000091013891 441648979 /nfs/dbraw/zinc/64/89/79/441648979.db2.gz DKXJUXYKSFHAGP-HOTGVXAUSA-N 1 0 348.491 1.979 50 0 EDAARO CN(C)c1nc2c(c(N3CCC[C@H](Cn4ccnc4)C3)n1)CC[NH2+]C2 ZINC000067846673 441687421 /nfs/dbraw/zinc/68/74/21/441687421.db2.gz LTXFCOVJRFKUFE-CQSZACIVSA-N 1 0 341.463 1.301 50 0 EDAARO Cc1cc(C(F)(F)F)cc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)n1 ZINC000091288953 441693009 /nfs/dbraw/zinc/69/30/09/441693009.db2.gz GVFLROJILZULTJ-CHWSQXEVSA-N 1 0 347.381 1.378 50 0 EDAARO C[NH+]1CCN(CCCNC(=O)CCOc2cccc(Cl)c2)CC1 ZINC000041778444 441672407 /nfs/dbraw/zinc/67/24/07/441672407.db2.gz TYSOGVKZZODAKR-UHFFFAOYSA-N 1 0 339.867 1.863 50 0 EDAARO CCCc1cc(CNC(=O)c2ccc(N3CC[NH2+]CC3)nc2)on1 ZINC000067724270 441673441 /nfs/dbraw/zinc/67/34/41/441673441.db2.gz MMIVPWWEYYCUKC-UHFFFAOYSA-N 1 0 329.404 1.362 50 0 EDAARO Cc1cc(C2CCC2)nc(N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)n1 ZINC000077355755 441762576 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C[NH+]1CCC(N(CCc2ccccc2)Cc2nc(C(N)=O)no2)CC1 ZINC000072124053 216016567 /nfs/dbraw/zinc/01/65/67/216016567.db2.gz RAEBATULZKCPMN-UHFFFAOYSA-N 1 0 343.431 1.307 50 0 EDAARO COCc1cc(C[N@@H+]2CC3(C[C@H]2C(=O)[O-])CC[NH2+]CC3)ccc1OC ZINC000072129509 216020703 /nfs/dbraw/zinc/02/07/03/216020703.db2.gz MADIFBGREKJQDP-INIZCTEOSA-N 1 0 348.443 1.870 50 0 EDAARO Cc1ccc(CN(Cc2ccccn2)C(=O)[C@@H]2C[NH2+]CCO2)s1 ZINC000072134388 216024148 /nfs/dbraw/zinc/02/41/48/216024148.db2.gz RGAOKWRKPKEXBE-INIZCTEOSA-N 1 0 331.441 1.969 50 0 EDAARO Cc1[nH]c2c(c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)C(=O)CCC2 ZINC000072146838 216033432 /nfs/dbraw/zinc/03/34/32/216033432.db2.gz DYDVEOANAZOBKY-GOSISDBHSA-N 1 0 333.432 1.371 50 0 EDAARO O=C1CCCN1CCC1CCN(Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072165010 216054155 /nfs/dbraw/zinc/05/41/55/216054155.db2.gz HFIZOUBVINRLQA-UHFFFAOYSA-N 1 0 331.464 1.211 50 0 EDAARO O=S(=O)(NCCc1[nH+]cc2ccccn21)c1ccc2c(c1)OCO2 ZINC000031773175 212747734 /nfs/dbraw/zinc/74/77/34/212747734.db2.gz 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1.884 50 0 EDAARO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccc(Cl)cc1 ZINC000242106259 243011055 /nfs/dbraw/zinc/01/10/55/243011055.db2.gz WIGIVUSNKBTGHJ-NEPJUHHUSA-N 1 0 327.837 1.884 50 0 EDAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC3(CCC(=O)N3)CC2)n1 ZINC000244700918 243060848 /nfs/dbraw/zinc/06/08/48/243060848.db2.gz JWEQHTYLAMAQMQ-JOCQHMNTSA-N 1 0 345.447 1.077 50 0 EDAARO COc1ccccc1-n1cc(CNC(=O)[C@H]2CCC[N@H+](C)C2)cn1 ZINC000020866725 212178084 /nfs/dbraw/zinc/17/80/84/212178084.db2.gz XUSCCNCISXKELT-HNNXBMFYSA-N 1 0 328.416 1.839 50 0 EDAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(CCN1CCN(c3ccccc3)CC1)C2 ZINC000244718994 243066647 /nfs/dbraw/zinc/06/66/47/243066647.db2.gz LUSVJPBDGNYENW-AZUAARDMSA-N 1 0 328.504 1.977 50 0 EDAARO CN(CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000244673893 243054411 /nfs/dbraw/zinc/05/44/11/243054411.db2.gz HXOWPGUMRKNCSK-IRXDYDNUSA-N 1 0 335.423 1.237 50 0 EDAARO Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2([NH+]3CCCC3)CCCC2)C1 ZINC000244873229 243092276 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COCC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000078602831 217084108 /nfs/dbraw/zinc/08/41/08/217084108.db2.gz MQDWQMOZEKJCFA-GFCCVEGCSA-N 1 0 341.358 1.130 50 0 EDAARO Cn1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)ccc1=O ZINC000078992810 217168994 /nfs/dbraw/zinc/16/89/94/217168994.db2.gz VZYMWCJSCUVBHM-UHFFFAOYSA-N 1 0 349.500 1.867 50 0 EDAARO OCCN1CC[NH+](CCCCNc2ncc(Cl)cc2F)CC1 ZINC000079306044 217205377 /nfs/dbraw/zinc/20/53/77/217205377.db2.gz XUYXFVCMSMAWAH-UHFFFAOYSA-N 1 0 330.835 1.676 50 0 EDAARO COC(=O)c1cccc(CC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000241277548 249303439 /nfs/dbraw/zinc/30/34/39/249303439.db2.gz LHADKFGYTBJGAA-BZSNNMDCSA-N 1 0 342.439 1.958 50 0 EDAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000012420215 211374798 /nfs/dbraw/zinc/37/47/98/211374798.db2.gz YKLOLFWVOCKEAE-OFQRWUPVSA-N 1 0 339.432 1.691 50 0 EDAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]Cc1ccncc1 ZINC000012195689 211317788 /nfs/dbraw/zinc/31/77/88/211317788.db2.gz CTZGDRDHBCPNPP-LJQANCHMSA-N 1 0 343.402 1.864 50 0 EDAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cc[n+]([O-])cc1 ZINC000011878922 211263719 /nfs/dbraw/zinc/26/37/19/211263719.db2.gz GSUMTRWQPJOSPH-GOSISDBHSA-N 1 0 325.412 1.757 50 0 EDAARO Cn1ccnc1C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000091468909 218011231 /nfs/dbraw/zinc/01/12/31/218011231.db2.gz OWIQKVKCDVRQCI-UHFFFAOYSA-N 1 0 342.447 1.695 50 0 EDAARO Cc1nccn1CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000011819365 211252500 /nfs/dbraw/zinc/25/25/00/211252500.db2.gz CFBDIXVBIAXQNA-INIZCTEOSA-N 1 0 333.480 1.114 50 0 EDAARO C[N@@H+]1CCN(C(=O)NCC2CCCCC2)C[C@]12CCNC(=O)CC2 ZINC000091603002 218030258 /nfs/dbraw/zinc/03/02/58/218030258.db2.gz UPYJQDYKAARBTO-SFHVURJKSA-N 1 0 336.480 1.563 50 0 EDAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCCc2ccc(Cl)cc2)C1 ZINC000092037541 218108156 /nfs/dbraw/zinc/10/81/56/218108156.db2.gz PNEPUOYCUMUGPG-AWEZNQCLSA-N 1 0 337.851 1.586 50 0 EDAARO C[C@@H]1CN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C[C@@]1(O)C1CC1 ZINC000091951479 218093798 /nfs/dbraw/zinc/09/37/98/218093798.db2.gz HPGJRAIVMKYBPO-QRWLVFNGSA-N 1 0 343.471 1.671 50 0 EDAARO O=C(NCCSc1c[nH]nn1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095367205 218299974 /nfs/dbraw/zinc/29/99/74/218299974.db2.gz CFBDLHDOFBYDBT-AWEZNQCLSA-N 1 0 331.445 1.794 50 0 EDAARO Cc1nc(C2CCN(C(=O)CC[C@@H]3CCC[N@@H+](C)C3)CC2)cc(=O)[nH]1 ZINC000095382652 218314937 /nfs/dbraw/zinc/31/49/37/218314937.db2.gz SAACISDYNNCMIR-HNNXBMFYSA-N 1 0 346.475 1.906 50 0 EDAARO C[C@@H](CC[NH+]1CCCC1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000095400526 218334548 /nfs/dbraw/zinc/33/45/48/218334548.db2.gz YAYRMASEPJERDX-HKUYNNGSSA-N 1 0 345.487 1.878 50 0 EDAARO C[C@@H]1[C@H](C)OCCN1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC000095424542 218366895 /nfs/dbraw/zinc/36/68/95/218366895.db2.gz XRCODHSJXVGPNB-CVEARBPZSA-N 1 0 346.475 1.757 50 0 EDAARO CC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2C(N)=O)CC1 ZINC000095439103 218383092 /nfs/dbraw/zinc/38/30/92/218383092.db2.gz FEMOPWNQJPZHPP-ZDUSSCGKSA-N 1 0 326.824 1.911 50 0 EDAARO NC(=O)C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)C1CCOCC1 ZINC000095452890 218396911 /nfs/dbraw/zinc/39/69/11/218396911.db2.gz UXHAASPDYGQKOB-SFHVURJKSA-N 1 0 342.443 1.692 50 0 EDAARO COc1ccc(S(=O)(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c(C)c1F ZINC000096501616 218878100 /nfs/dbraw/zinc/87/81/00/218878100.db2.gz XWRZTTLWASXYFS-RYUDHWBXSA-N 1 0 330.425 1.904 50 0 EDAARO Cc1oc(-c2ccccc2)nc1C[S@](=O)CC(=O)NCC[NH+](C)C ZINC000005058306 210378994 /nfs/dbraw/zinc/37/89/94/210378994.db2.gz NOXGTYUXCAYUBY-XMMPIXPASA-N 1 0 349.456 1.577 50 0 EDAARO CC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000097234898 219002465 /nfs/dbraw/zinc/00/24/65/219002465.db2.gz WHLYBNRQMHOZHD-LSDHHAIUSA-N 1 0 331.460 1.895 50 0 EDAARO CNc1ncc(-c2nc([C@H]3CCOC3)nn2C2CC[NH+](C)CC2)cn1 ZINC000097499581 219030681 /nfs/dbraw/zinc/03/06/81/219030681.db2.gz QAYLJWYTZSEPRZ-LBPRGKRZSA-N 1 0 343.435 1.547 50 0 EDAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCc1cn2c(n1)SCC2 ZINC000426399106 254490441 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CGZFYUHQGSZFQD-UHFFFAOYSA-N 1 0 336.461 1.563 50 0 EDAARO CCOc1ccc(CCC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000069632346 441997173 /nfs/dbraw/zinc/99/71/73/441997173.db2.gz QNEWYMXGDGCRNY-UHFFFAOYSA-N 1 0 334.460 1.933 50 0 EDAARO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3C)C2)CC1 ZINC000069588665 441983109 /nfs/dbraw/zinc/98/31/09/441983109.db2.gz PAVSADAZABSCBX-KRWDZBQOSA-N 1 0 329.444 1.475 50 0 EDAARO O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000069592626 441983145 /nfs/dbraw/zinc/98/31/45/441983145.db2.gz YOJMZVVKFORIBI-INIZCTEOSA-N 1 0 341.419 1.754 50 0 EDAARO O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069589268 441983967 /nfs/dbraw/zinc/98/39/67/441983967.db2.gz KWUUONNHFLNSAY-MRXNPFEDSA-N 1 0 340.431 1.427 50 0 EDAARO O=C(CC[N@@H+]1CCC[C@H]1Cn1cncn1)N1CCc2ccccc21 ZINC000069600844 441987105 /nfs/dbraw/zinc/98/71/05/441987105.db2.gz KZVGBXQYYOGVEK-INIZCTEOSA-N 1 0 325.416 1.722 50 0 EDAARO C[NH+]1CCN(CCOc2ccccc2NC(=O)c2ccncc2)CC1 ZINC000069660056 442005163 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O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1ccsc1 ZINC000069742514 442029535 /nfs/dbraw/zinc/02/95/35/442029535.db2.gz MZBSGQHSAUOFFT-ZIAGYGMSSA-N 1 0 331.445 1.608 50 0 EDAARO CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000069743570 442029851 /nfs/dbraw/zinc/02/98/51/442029851.db2.gz PEKRYSGPXYMJMJ-UHFFFAOYSA-N 1 0 342.461 1.810 50 0 EDAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N1CCC[C@H]1c1ccsc1 ZINC000069742512 442029944 /nfs/dbraw/zinc/02/99/44/442029944.db2.gz MZBSGQHSAUOFFT-KGLIPLIRSA-N 1 0 331.445 1.608 50 0 EDAARO O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)NCCC1=CCCCC1 ZINC000069776821 442037310 /nfs/dbraw/zinc/03/73/10/442037310.db2.gz GOPJDFIAZNLQKC-QGZVFWFLSA-N 1 0 331.464 1.997 50 0 EDAARO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000069778060 442039294 /nfs/dbraw/zinc/03/92/94/442039294.db2.gz ZYOGSIONKIMBOD-OAHLLOKOSA-N 1 0 346.431 1.021 50 0 EDAARO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H]1CNc2c(C(N)=O)cnn2C1 ZINC000069840790 442052057 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Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccccc1OCC(=O)N(C)C)CC2 ZINC000069899459 442070012 /nfs/dbraw/zinc/07/00/12/442070012.db2.gz KZFVMXUNYMSROX-OAHLLOKOSA-N 1 0 343.431 1.158 50 0 EDAARO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000069901547 442072161 /nfs/dbraw/zinc/07/21/61/442072161.db2.gz IDGODAUJJKLRRQ-MRXNPFEDSA-N 1 0 333.480 1.329 50 0 EDAARO CC(C)[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1nnc2n1CCC2 ZINC000096404825 442114622 /nfs/dbraw/zinc/11/46/22/442114622.db2.gz IRJGTIYBJHACDX-INIZCTEOSA-N 1 0 346.479 1.847 50 0 EDAARO COC[C@@H](C)S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000096410376 442117002 /nfs/dbraw/zinc/11/70/02/442117002.db2.gz CNSWZTJJAIXODC-CQSZACIVSA-N 1 0 332.510 1.985 50 0 EDAARO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc3nnc(C4CC4)n3n2)C1 ZINC000096453237 442136182 /nfs/dbraw/zinc/13/61/82/442136182.db2.gz FHIXQWWTVSFQDL-AWEZNQCLSA-N 1 0 330.436 1.770 50 0 EDAARO Cc1nc(CSc2nnnn2CC[NH+](C)C)nc2ccccc12 ZINC000096455712 442136701 /nfs/dbraw/zinc/13/67/01/442136701.db2.gz WAYAKASLIORAKK-UHFFFAOYSA-N 1 0 329.433 1.779 50 0 EDAARO O=C(CC[NH+]1CCN(c2cc(F)ccc2F)CC1)N1CCOCC1 ZINC000096455948 442137078 /nfs/dbraw/zinc/13/70/78/442137078.db2.gz FGRUOXFTEVWDPC-UHFFFAOYSA-N 1 0 339.386 1.336 50 0 EDAARO NC(=O)CN1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000096484608 442141030 /nfs/dbraw/zinc/14/10/30/442141030.db2.gz AXEXCSYWNGZJSO-UHFFFAOYSA-N 1 0 333.329 1.884 50 0 EDAARO C[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1nnnn1-c1ccccc1 ZINC000097135230 442173204 /nfs/dbraw/zinc/17/32/04/442173204.db2.gz UZIRPLUQYJCPGV-BBRMVZONSA-N 1 0 340.431 1.714 50 0 EDAARO CNC(=O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000097163594 442177877 /nfs/dbraw/zinc/17/78/77/442177877.db2.gz HBBRYNWIEUVWIL-HNNXBMFYSA-N 1 0 331.460 1.707 50 0 EDAARO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc3ccccc31)CC2 ZINC000097199567 442182843 /nfs/dbraw/zinc/18/28/43/442182843.db2.gz VXHGEHKGXCGSII-ZFWWWQNUSA-N 1 0 339.443 1.723 50 0 EDAARO O=C1[C@H]2C[N@H+](CCn3ccnc3)CCN2C(=O)N1c1ccccc1 ZINC000097370614 442191957 /nfs/dbraw/zinc/19/19/57/442191957.db2.gz VJOXIIDXABCSDS-OAHLLOKOSA-N 1 0 325.372 1.036 50 0 EDAARO C[N@H+](CCN1C(=O)c2ccccc2C1=O)[C@H]1Cc2ccccc2[C@@H]1O ZINC000097034152 442158097 /nfs/dbraw/zinc/15/80/97/442158097.db2.gz HJRNGAASKPWLON-ROUUACIJSA-N 1 0 336.391 1.873 50 0 EDAARO Cc1cc(C)cc(C2=CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)CC2)c1 ZINC000097057787 442160733 /nfs/dbraw/zinc/16/07/33/442160733.db2.gz FVZNWKBSDZBRPE-UHFFFAOYSA-N 1 0 339.439 1.990 50 0 EDAARO Cc1cccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C ZINC000177356349 442331749 /nfs/dbraw/zinc/33/17/49/442331749.db2.gz WHPZZMLDIVSCKP-SFHVURJKSA-N 1 0 331.460 1.326 50 0 EDAARO Cc1ccsc1C[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000191940442 442544213 /nfs/dbraw/zinc/54/42/13/442544213.db2.gz JTCPIUIZZPPEPP-UHFFFAOYSA-N 1 0 328.503 1.751 50 0 EDAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000179017075 442552350 /nfs/dbraw/zinc/55/23/50/442552350.db2.gz NVTFMTUFDZHTBE-SECBINFHSA-N 1 0 341.205 1.859 50 0 EDAARO Cc1noc2ncnc(Sc3nnc(C4CC[NH2+]CC4)n3C)c12 ZINC000192457889 442648473 /nfs/dbraw/zinc/64/84/73/442648473.db2.gz HYTYGPUZRPWIRB-UHFFFAOYSA-N 1 0 331.405 1.673 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000247965553 442875503 /nfs/dbraw/zinc/87/55/03/442875503.db2.gz HOHJYMBSMNYMCL-IAGOWNOFSA-N 1 0 342.443 1.956 50 0 EDAARO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCCCc2ccccc2)C[C@H]1C ZINC000252475106 443024240 /nfs/dbraw/zinc/02/42/40/443024240.db2.gz SRSNPWLPACVKOV-SJORKVTESA-N 1 0 333.476 1.122 50 0 EDAARO CCc1nnc([C@H](C)[NH2+][C@@H]2CCN(S(=O)(=O)C(C)C)C[C@H]2C)o1 ZINC000252666250 443046307 /nfs/dbraw/zinc/04/63/07/443046307.db2.gz AWROHJCHYCYTOG-FRRDWIJNSA-N 1 0 344.481 1.731 50 0 EDAARO CC[C@]1(N2CC[NH2+]CC2)CCN(C(=O)NCCc2ccccc2)C1 ZINC000253390547 443051777 /nfs/dbraw/zinc/05/17/77/443051777.db2.gz SDODCTXKXCROBB-IBGZPJMESA-N 1 0 330.476 1.698 50 0 EDAARO O=C(Cc1ccc(F)cc1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000253415158 443060790 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CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)cc21 ZINC000237636866 443177682 /nfs/dbraw/zinc/17/76/82/443177682.db2.gz JOJHMILTUJJCCD-SMDDNHRTSA-N 1 0 337.445 1.096 50 0 EDAARO Cc1ncsc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237656543 443178813 /nfs/dbraw/zinc/17/88/13/443178813.db2.gz HYZNRCYGXOSWPM-OLZOCXBDSA-N 1 0 336.461 1.172 50 0 EDAARO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000238043024 443192810 /nfs/dbraw/zinc/19/28/10/443192810.db2.gz AZGKSVQODSVAIB-YOEHRIQHSA-N 1 0 329.444 1.943 50 0 EDAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000257365411 443157817 /nfs/dbraw/zinc/15/78/17/443157817.db2.gz FUCHASRHXNGOTR-OCCSQVGLSA-N 1 0 349.456 1.429 50 0 EDAARO C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2cccc(F)c2)C[C@H]1C ZINC000241447087 443207384 /nfs/dbraw/zinc/20/73/84/443207384.db2.gz NRCIFQNQLYLAOP-CABCVRRESA-N 1 0 337.439 1.171 50 0 EDAARO C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000242196991 443209830 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Cc1cc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)nc(N(C)C)n1 ZINC000191220619 443261735 /nfs/dbraw/zinc/26/17/35/443261735.db2.gz YVGQGLUIBBNTQX-UHFFFAOYSA-N 1 0 348.495 1.771 50 0 EDAARO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(F)c1 ZINC000301940799 444197582 /nfs/dbraw/zinc/19/75/82/444197582.db2.gz WFJFTDSXSIESHI-GFCCVEGCSA-N 1 0 325.409 1.184 50 0 EDAARO C[C@@H]1CO[C@@H](CO)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000097103161 325705379 /nfs/dbraw/zinc/70/53/79/325705379.db2.gz VNWLDTMLQDKNND-SJLPKXTDSA-N 1 0 346.471 1.897 50 0 EDAARO Cc1cccc2nc(CNC(=O)N3CCOC[C@@H](C[NH+](C)C)C3)cn21 ZINC000426470534 447449626 /nfs/dbraw/zinc/44/96/26/447449626.db2.gz GDRQYCLCFGURDZ-HNNXBMFYSA-N 1 0 345.447 1.362 50 0 EDAARO COc1cccc(C(=O)N2CC[C@H](C(C)(C)O)C2)c1OCCC[NH3+] ZINC000426487402 447454914 /nfs/dbraw/zinc/45/49/14/447454914.db2.gz NVYMDUZPFLHJMK-ZDUSSCGKSA-N 1 0 336.432 1.656 50 0 EDAARO Cc1n[nH]c(C)c1CCN(C)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426588782 447476867 /nfs/dbraw/zinc/47/68/67/447476867.db2.gz BPWCWFSXEWDNRV-HNNXBMFYSA-N 1 0 344.463 1.391 50 0 EDAARO C[N@@H+]1CCOC[C@H](CNC(=O)c2ccc(-c3cnc(N)cn3)cc2)C1 ZINC000426628151 447482882 /nfs/dbraw/zinc/48/28/82/447482882.db2.gz FQHHEQZWGYIEAT-CYBMUJFWSA-N 1 0 341.415 1.034 50 0 EDAARO NC(=O)NCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000390833743 447501418 /nfs/dbraw/zinc/50/14/18/447501418.db2.gz MFKYFLBSRLTSRS-UHFFFAOYSA-N 1 0 344.459 1.702 50 0 EDAARO Nc1n[nH]c(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1Cl ZINC000426546068 447468890 /nfs/dbraw/zinc/46/88/90/447468890.db2.gz CYRVRBCVHKIQID-MRXNPFEDSA-N 1 0 337.855 1.983 50 0 EDAARO C[NH+](C)[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@@H]1O ZINC000408517564 447670927 /nfs/dbraw/zinc/67/09/27/447670927.db2.gz KRHUBTWYDRSLNW-ROUUACIJSA-N 1 0 338.407 1.665 50 0 EDAARO CC[N@@H+]1CCCN(CC(=O)Nc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000408522696 447674460 /nfs/dbraw/zinc/67/44/60/447674460.db2.gz CBOOGKNAJZXTKU-AWEZNQCLSA-N 1 0 332.448 2.000 50 0 EDAARO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)nc(N(C)C)n1 ZINC000534642237 448459404 /nfs/dbraw/zinc/45/94/04/448459404.db2.gz NJNAJPNGFBPSQB-UHFFFAOYSA-N 1 0 333.465 1.598 50 0 EDAARO C[NH+](C)C[C@@H]1COCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 ZINC000584896688 448669604 /nfs/dbraw/zinc/66/96/04/448669604.db2.gz FIKGSLTTXJRBIB-AWEZNQCLSA-N 1 0 328.416 1.727 50 0 EDAARO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000673512890 487030620 /nfs/dbraw/zinc/03/06/20/487030620.db2.gz JTVYWAVLHZONOD-PVAVHDDUSA-N 1 0 346.427 1.324 50 0 EDAARO CC1(C)Cc2ccc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c(O)c2O1 ZINC000078441348 487116393 /nfs/dbraw/zinc/11/63/93/487116393.db2.gz FXCWTMUFQAJIBT-KGLIPLIRSA-N 1 0 346.427 1.699 50 0 EDAARO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000084304128 486256177 /nfs/dbraw/zinc/25/61/77/486256177.db2.gz NPMDXJQHDMKTNH-MRXNPFEDSA-N 1 0 347.507 1.894 50 0 EDAARO Cc1cc(F)ccc1N1CCC([NH2+]CCc2noc(CO)n2)CC1 ZINC000670442909 486522928 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COc1ccc(/C=C\C(=O)N2CC3(C[NH2+]C3)OC(C)(C)C2)cc1OC ZINC000888096537 591027778 /nfs/dbraw/zinc/02/77/78/591027778.db2.gz HXXCSVHEJZPEQU-VURMDHGXSA-N 1 0 346.427 1.696 50 0 EDAARO COC(=O)[C@H](C)NC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894027250 591174935 /nfs/dbraw/zinc/17/49/35/591174935.db2.gz HJYVMMWOLOPHBT-LBPRGKRZSA-N 1 0 329.441 1.127 50 0 EDAARO O=C(CN1CC[NH+](CCCCCO)CC1)NCC1CCCCC1 ZINC000864091474 596752851 /nfs/dbraw/zinc/75/28/51/596752851.db2.gz XFHRINILRPOVIT-UHFFFAOYSA-N 1 0 325.497 1.463 50 0 EDAARO COCCC[NH+]1CCC2(CCN(C(=O)c3cc[nH]c3)C[C@H]2CO)CC1 ZINC000097637836 219043192 /nfs/dbraw/zinc/04/31/92/219043192.db2.gz OOHFXSOGJGIKNT-KRWDZBQOSA-N 1 0 349.475 1.588 50 0 EDAARO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000052961435 214157871 /nfs/dbraw/zinc/15/78/71/214157871.db2.gz BJNJIFXTXJMZPY-QWRGUYRKSA-N 1 0 341.814 1.633 50 0 EDAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cnnc2)n1 ZINC000097679740 219047021 /nfs/dbraw/zinc/04/70/21/219047021.db2.gz BFAWRCYCWBGOHM-INIZCTEOSA-N 1 0 348.410 1.667 50 0 EDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000055209356 214288716 /nfs/dbraw/zinc/28/87/16/214288716.db2.gz VKKZALNZTVFWDJ-AWEZNQCLSA-N 1 0 329.404 1.665 50 0 EDAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)CCn2cnnn2)cc1 ZINC000222817158 282148271 /nfs/dbraw/zinc/14/82/71/282148271.db2.gz KDPDUTFMMMATCV-MRXNPFEDSA-N 1 0 328.420 1.489 50 0 EDAARO Cc1ccc(CN2C[C@@H](C(=O)NC3CC[NH+](C)CC3)CC2=O)cc1 ZINC000055359820 214311917 /nfs/dbraw/zinc/31/19/17/214311917.db2.gz SECPOEWUXUFHKT-INIZCTEOSA-N 1 0 329.444 1.554 50 0 EDAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ncc(=O)c2ccccc21 ZINC000055403889 214319618 /nfs/dbraw/zinc/31/96/18/214319618.db2.gz PKERVQUIJPUCPO-HUUCEWRRSA-N 1 0 342.443 1.633 50 0 EDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(C(=O)NC2CC2)CC1 ZINC000056864861 214391974 /nfs/dbraw/zinc/39/19/74/214391974.db2.gz ZYHGVWXQDBZAMY-CQSZACIVSA-N 1 0 336.480 1.561 50 0 EDAARO NC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000058342685 214554562 /nfs/dbraw/zinc/55/45/62/214554562.db2.gz DVBPNLNBUSJLEX-MRXNPFEDSA-N 1 0 347.434 1.762 50 0 EDAARO CN1CC[NH+](CC2CCN(C(=O)Nc3ccc(F)cn3)CC2)CC1 ZINC000191628401 530071914 /nfs/dbraw/zinc/07/19/14/530071914.db2.gz LNPIVZDRUCQIHG-UHFFFAOYSA-N 1 0 335.427 1.712 50 0 EDAARO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)n1cncn1)[NH+]1CCCC1 ZINC000044910933 213670499 /nfs/dbraw/zinc/67/04/99/213670499.db2.gz UEJRWYARKPALDE-GDBMZVCRSA-N 1 0 343.431 1.801 50 0 EDAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1 ZINC000003425543 210036576 /nfs/dbraw/zinc/03/65/76/210036576.db2.gz OCCHSHHMPVZPNE-UHFFFAOYSA-N 1 0 347.400 1.533 50 0 EDAARO [NH3+][C@H]1CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)C1 ZINC000067458397 215148540 /nfs/dbraw/zinc/14/85/40/215148540.db2.gz ZPWFCTDFNNSORO-INIZCTEOSA-N 1 0 339.443 1.462 50 0 EDAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(F)ccc1-n1cccn1 ZINC000067588716 215165923 /nfs/dbraw/zinc/16/59/23/215165923.db2.gz VFPBWYQKVGVMPS-WBVHZDCISA-N 1 0 345.422 1.438 50 0 EDAARO CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067557075 215160528 /nfs/dbraw/zinc/16/05/28/215160528.db2.gz DJAABXPWVTUKRN-CYBMUJFWSA-N 1 0 337.395 1.762 50 0 EDAARO Cc1nonc1CC(=O)NCC[C@H]1C[N@@H+](C2CCCCC2)CCO1 ZINC000067588338 215166355 /nfs/dbraw/zinc/16/63/55/215166355.db2.gz JAMKQLRWQRGYTD-HNNXBMFYSA-N 1 0 336.436 1.460 50 0 EDAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(C)n(-c2cccnc2)c1C ZINC000067643662 215172888 /nfs/dbraw/zinc/17/28/88/215172888.db2.gz IFORGAPNTFIUSV-RDJZCZTQSA-N 1 0 327.432 1.137 50 0 EDAARO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000067755569 215203676 /nfs/dbraw/zinc/20/36/76/215203676.db2.gz WPXAALJXIQMWIB-UHFFFAOYSA-N 1 0 332.857 1.146 50 0 EDAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)Cc2ccc(F)c(F)c2F)C1 ZINC000067741957 215200822 /nfs/dbraw/zinc/20/08/22/215200822.db2.gz IHEBMFWDPLPCAU-LBPRGKRZSA-N 1 0 330.350 1.873 50 0 EDAARO CNc1ncccc1C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC000067834277 215224340 /nfs/dbraw/zinc/22/43/40/215224340.db2.gz WLDQDLBXLYRKEQ-ZDUSSCGKSA-N 1 0 328.420 1.407 50 0 EDAARO CC(C)[N@@H+]1CCO[C@H](CCNC(=O)c2ccc3cccnc3n2)C1 ZINC000067841763 215227106 /nfs/dbraw/zinc/22/71/06/215227106.db2.gz MEANNWYBODNUTA-OAHLLOKOSA-N 1 0 328.416 1.859 50 0 EDAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]CCn1cccn1 ZINC000067867894 215235049 /nfs/dbraw/zinc/23/50/49/215235049.db2.gz QRUQACZHYYHMLE-IBGZPJMESA-N 1 0 348.491 1.797 50 0 EDAARO CC(C)(CO)[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067872631 215237937 /nfs/dbraw/zinc/23/79/37/215237937.db2.gz HFUCDSCDAZJGIY-KRWDZBQOSA-N 1 0 342.386 1.179 50 0 EDAARO CNc1ncccc1C(=O)NC[C@H]1CC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC000067934836 215252510 /nfs/dbraw/zinc/25/25/10/215252510.db2.gz MMRTVORMEAKXOG-CYBMUJFWSA-N 1 0 328.420 1.407 50 0 EDAARO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cccs1 ZINC000069352216 215387992 /nfs/dbraw/zinc/38/79/92/215387992.db2.gz AZNUWISDFNHZCN-UHFFFAOYSA-N 1 0 325.459 1.896 50 0 EDAARO CC(C)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000585083409 539956276 /nfs/dbraw/zinc/95/62/76/539956276.db2.gz AZOVJMUDYRBHFU-UHFFFAOYSA-N 1 0 331.416 1.329 50 0 EDAARO Cc1csc(=O)n1CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040480645 213315179 /nfs/dbraw/zinc/31/51/79/213315179.db2.gz VIPBVLFDAKLEAX-NSHDSACASA-N 1 0 325.459 1.699 50 0 EDAARO Cc1ccccc1C(=O)Nc1nc(C(=O)NCC[NH+](C)C)cs1 ZINC000040355379 213291873 /nfs/dbraw/zinc/29/18/73/213291873.db2.gz KKRYDDPVFZNXHA-UHFFFAOYSA-N 1 0 332.429 1.995 50 0 EDAARO COc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000040268975 213287144 /nfs/dbraw/zinc/28/71/44/213287144.db2.gz VHRACZSNRXJUQI-UHFFFAOYSA-N 1 0 334.420 1.454 50 0 EDAARO Cc1csc(N2CCN(C[C@@H](O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000069656290 215519550 /nfs/dbraw/zinc/51/95/50/215519550.db2.gz VGLQDJWTJJOXON-INIZCTEOSA-N 1 0 338.521 1.666 50 0 EDAARO Cc1noc2ncnc(NC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c12 ZINC000193387178 540182398 /nfs/dbraw/zinc/18/23/98/540182398.db2.gz HHNDNICJHYFGRG-HNNXBMFYSA-N 1 0 339.399 1.757 50 0 EDAARO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1Br ZINC000036297315 213083523 /nfs/dbraw/zinc/08/35/23/213083523.db2.gz SDBINHLBRBRIDP-SECBINFHSA-N 1 0 349.250 1.570 50 0 EDAARO C[NH+](C)CCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000071797895 215834610 /nfs/dbraw/zinc/83/46/10/215834610.db2.gz AOVNOMLVBWGCPV-UHFFFAOYSA-N 1 0 347.868 1.076 50 0 EDAARO C[NH2+]CC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072135266 216023734 /nfs/dbraw/zinc/02/37/34/216023734.db2.gz GMEYPLRQIMKMLX-HNNXBMFYSA-N 1 0 334.439 1.158 50 0 EDAARO COCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072135613 216024619 /nfs/dbraw/zinc/02/46/19/216024619.db2.gz IJSANRQXKLDVMI-GDIGMMSISA-N 1 0 344.411 1.450 50 0 EDAARO CCc1ccc2nc(C)cc(C(=O)NC[C@@H]3CC[NH2+]C[C@H]3O)c2c1 ZINC000072146349 216033583 /nfs/dbraw/zinc/03/35/83/216033583.db2.gz YPCRRQFLQVBKPA-KBXCAEBGSA-N 1 0 327.428 1.806 50 0 EDAARO Cc1c[nH]c(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)c1 ZINC000072158183 216048353 /nfs/dbraw/zinc/04/83/53/216048353.db2.gz KYIMLSLEMPKFJN-SJORKVTESA-N 1 0 325.412 1.871 50 0 EDAARO O=S(=O)(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)N1CCCC1 ZINC000072168413 216058661 /nfs/dbraw/zinc/05/86/61/216058661.db2.gz FFVOHJCGKGLXSW-QGZVFWFLSA-N 1 0 349.500 1.548 50 0 EDAARO CC[C@H]1CN(C(=O)C2([NH3+])CCC2)CCC(=O)N1Cc1ccccc1 ZINC000072162786 216051589 /nfs/dbraw/zinc/05/15/89/216051589.db2.gz HFCJDFASQRFOOR-INIZCTEOSA-N 1 0 329.444 1.908 50 0 EDAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000107504494 219783513 /nfs/dbraw/zinc/78/35/13/219783513.db2.gz FRPYXKSYLWZGSD-RKVPGOIHSA-N 1 0 331.460 1.880 50 0 EDAARO c1cc(-c2nc3c(c(NC[C@@H]4CCCO4)n2)CC[NH2+]CC3)ccn1 ZINC000072407270 216198024 /nfs/dbraw/zinc/19/80/24/216198024.db2.gz RSDAUWKDVMCNGS-AWEZNQCLSA-N 1 0 325.416 1.818 50 0 EDAARO Cc1nccn1CC1CCN(c2nc(N)nc3c2CC[NH2+]CC3)CC1 ZINC000072422705 216212443 /nfs/dbraw/zinc/21/24/43/216212443.db2.gz PDARXKSIJNNPLC-UHFFFAOYSA-N 1 0 341.463 1.169 50 0 EDAARO CN(CCc1ccccn1)C(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072428678 216220618 /nfs/dbraw/zinc/22/06/18/216220618.db2.gz LXTLFDYRFVRXEM-UHFFFAOYSA-N 1 0 327.432 1.405 50 0 EDAARO CCNc1ncc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cn1 ZINC000072427395 216217625 /nfs/dbraw/zinc/21/76/25/216217625.db2.gz PRERWMPNQSQFDH-UHFFFAOYSA-N 1 0 326.404 1.188 50 0 EDAARO Nc1nc2c(c(NC[C@@H]3CCN(c4ccccc4)C3)n1)CC[NH2+]CC2 ZINC000072433439 216228317 /nfs/dbraw/zinc/22/83/17/216228317.db2.gz LCTRENBHTJEMDB-AWEZNQCLSA-N 1 0 338.459 1.685 50 0 EDAARO CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072462616 216245397 /nfs/dbraw/zinc/24/53/97/216245397.db2.gz JGQKKDNQEXWZBB-FQEVSTJZSA-N 1 0 343.471 1.979 50 0 EDAARO CN1C[C@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)NC1=O ZINC000072463012 216245406 /nfs/dbraw/zinc/24/54/06/216245406.db2.gz RDQOFDATKUXEOQ-QGZVFWFLSA-N 1 0 344.459 1.177 50 0 EDAARO O=C1CC[C@H]2C[N@@H+](C3CCOCC3)CC[C@H]2N1CCCn1ccnc1 ZINC000072477162 216255564 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441209436 /nfs/dbraw/zinc/20/94/36/441209436.db2.gz PEOWMZVCABVCQQ-OAHLLOKOSA-N 1 0 347.463 1.261 50 0 EDAARO C[C@H]([NH2+]C[C@H]1CCc2nncn2C1)C(=O)N1CCc2sccc2C1 ZINC000072252910 441209737 /nfs/dbraw/zinc/20/97/37/441209737.db2.gz PUURSDPNDGFPEU-QWHCGFSZSA-N 1 0 345.472 1.465 50 0 EDAARO O=C(CCc1ccc(F)c(F)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269617 441213533 /nfs/dbraw/zinc/21/35/33/441213533.db2.gz DDDYENDPVADSTP-IRXDYDNUSA-N 1 0 338.398 1.955 50 0 EDAARO Cn1cc(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000072269539 441213828 /nfs/dbraw/zinc/21/38/28/441213828.db2.gz PMTVNJPGURZTQZ-RBUKOAKNSA-N 1 0 341.455 1.778 50 0 EDAARO O=C(Cc1ccc2c(c1)CCO2)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269594 441213985 /nfs/dbraw/zinc/21/39/85/441213985.db2.gz QUHWAMGMZQMJGB-IAGOWNOFSA-N 1 0 330.428 1.222 50 0 EDAARO NC(=O)[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccc(F)cc1 ZINC000072276748 441217526 /nfs/dbraw/zinc/21/75/26/441217526.db2.gz WZROXINLSVHWNB-ZBFHGGJFSA-N 1 0 329.379 1.401 50 0 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50 0 EDAARO CN(CC[NH+]1CCCCCC1)C(=O)CSc1nnc(N)s1 ZINC000063870345 441360525 /nfs/dbraw/zinc/36/05/25/441360525.db2.gz IVLSCUYBJWDLIY-UHFFFAOYSA-N 1 0 329.495 1.547 50 0 EDAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000106829756 441376684 /nfs/dbraw/zinc/37/66/84/441376684.db2.gz YQUWSYJHWNNODN-RHSMWYFYSA-N 1 0 344.459 1.729 50 0 EDAARO CNC(=O)c1nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000065199551 441406916 /nfs/dbraw/zinc/40/69/16/441406916.db2.gz AVMZDQHUZUJDRB-UHFFFAOYSA-N 1 0 336.461 1.593 50 0 EDAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(CN3CCC[C@@H](C)C3)nc2n1 ZINC000065311635 441416064 /nfs/dbraw/zinc/41/60/64/441416064.db2.gz JZMAFVBZRXMUPR-CQSZACIVSA-N 1 0 343.479 1.416 50 0 EDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000028014161 441422959 /nfs/dbraw/zinc/42/29/59/441422959.db2.gz KOQKUIDQZVRXRR-CQSZACIVSA-N 1 0 343.427 1.615 50 0 EDAARO CC(C)[C@@H](CNC(=O)N[C@H](C)c1nncn1C)[NH+]1CCC(C)CC1 ZINC000065390753 441422932 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441940909 /nfs/dbraw/zinc/94/09/09/441940909.db2.gz OTMQXSJAUWEFKD-GFCCVEGCSA-N 1 0 332.379 1.937 50 0 EDAARO CCCc1nc(C)cc(N2CCC([NH2+]C[C@H]3COCCO3)CC2)n1 ZINC000095508118 441943003 /nfs/dbraw/zinc/94/30/03/441943003.db2.gz VBVDOFGJPVSKRX-INIZCTEOSA-N 1 0 334.464 1.711 50 0 EDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ZINC000069463888 441943219 /nfs/dbraw/zinc/94/32/19/441943219.db2.gz VJVWPNSVBZKZRN-LSDHHAIUSA-N 1 0 330.436 1.557 50 0 EDAARO CC(C)[NH+]1CCC(C(=O)NCc2nnc(-c3ccncc3)[nH]2)CC1 ZINC000095526783 441949782 /nfs/dbraw/zinc/94/97/82/441949782.db2.gz HGNPCPQUNWWMAI-UHFFFAOYSA-N 1 0 328.420 1.603 50 0 EDAARO Cn1cc(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)ccc1=O ZINC000095954458 441958531 /nfs/dbraw/zinc/95/85/31/441958531.db2.gz TZKFKNQIXNJYOV-UHFFFAOYSA-N 1 0 343.402 1.919 50 0 EDAARO CC(C)C[NH+]1CCN(c2ccc(S(N)(=O)=O)c3cccnc32)CC1 ZINC000095965815 441963401 /nfs/dbraw/zinc/96/34/01/441963401.db2.gz XUYQOHZIPXVIMJ-UHFFFAOYSA-N 1 0 348.472 1.660 50 0 EDAARO O=C1OCCN1CC[N@@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069529089 441964785 /nfs/dbraw/zinc/96/47/85/441964785.db2.gz YTCIMCGHRWDUGN-UHFFFAOYSA-N 1 0 329.404 1.527 50 0 EDAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000078898640 441991560 /nfs/dbraw/zinc/99/15/60/441991560.db2.gz DCKDUFYNSPECBL-SUMWQHHRSA-N 1 0 345.443 1.287 50 0 EDAARO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)N1CCCc2ccccc21 ZINC000069629936 441997387 /nfs/dbraw/zinc/99/73/87/441997387.db2.gz QJVXMAAYAALKDL-INIZCTEOSA-N 1 0 339.443 1.970 50 0 EDAARO NC(=[NH2+])NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000069656004 442003123 /nfs/dbraw/zinc/00/31/23/442003123.db2.gz GSAIQQATPILDIX-UHFFFAOYSA-N 1 0 328.395 1.530 50 0 EDAARO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000069663939 442006221 /nfs/dbraw/zinc/00/62/21/442006221.db2.gz XQWWYFSMNLMFFB-SJORKVTESA-N 1 0 336.432 1.622 50 0 EDAARO COC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000069703953 442016088 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C[C@@H](C1CC1)n1nccc1NC(=O)CN1CCC[C@@H]1Cn1cccn1 ZINC000588079243 448866925 /nfs/dbraw/zinc/86/69/25/448866925.db2.gz PTSYZXFLHSMJQV-GOEBONIOSA-N 1 0 342.447 1.576 50 0 EDAARO O=C(NC1CC[NH+](C2CCC2)CC1)c1cn(C[C@H]2CCOC2)nn1 ZINC000529466539 448874579 /nfs/dbraw/zinc/87/45/79/448874579.db2.gz GNTIKGGPNXDHKN-CYBMUJFWSA-N 1 0 333.436 1.061 50 0 EDAARO C[NH+](C)Cc1ccoc1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000521395324 448978988 /nfs/dbraw/zinc/97/89/88/448978988.db2.gz CWYPHUNXLMXUOT-UHFFFAOYSA-N 1 0 333.363 1.640 50 0 EDAARO CC(C)CCO[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000083651944 486223332 /nfs/dbraw/zinc/22/33/32/486223332.db2.gz MZAVAVYGPNEHOW-HOTGVXAUSA-N 1 0 326.485 1.079 50 0 EDAARO CNC(=O)c1ccc(C[NH2+]C[C@H]2CCO[C@H]2c2cnn(C)c2)cc1 ZINC000083882300 486236431 /nfs/dbraw/zinc/23/64/31/486236431.db2.gz AELDUHZWMMKEBR-NVXWUHKLSA-N 1 0 328.416 1.647 50 0 EDAARO Cc1cc([C@@H]2CCC[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)[nH]n1 ZINC000084111191 486244742 /nfs/dbraw/zinc/24/47/42/486244742.db2.gz AGXOTACIHOOOMH-CQSZACIVSA-N 1 0 345.447 1.762 50 0 EDAARO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1 ZINC000084606032 486271448 /nfs/dbraw/zinc/27/14/48/486271448.db2.gz OHWKKURLKRHPSV-SJORKVTESA-N 1 0 346.452 1.981 50 0 EDAARO Cc1nncn1CC[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000670465038 486557043 /nfs/dbraw/zinc/55/70/43/486557043.db2.gz CJSHXKWFESXOMW-UHFFFAOYSA-N 1 0 325.416 1.597 50 0 EDAARO COc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc1Cl ZINC000670468781 486559738 /nfs/dbraw/zinc/55/97/38/486559738.db2.gz ZMMDYRGDBSCDAS-CYBMUJFWSA-N 1 0 326.824 1.925 50 0 EDAARO O=C(CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)Nc1cccnc1 ZINC000178183250 534581077 /nfs/dbraw/zinc/58/10/77/534581077.db2.gz ZWMBWAIBYOEUPK-AWEZNQCLSA-N 1 0 330.432 1.791 50 0 EDAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000237263341 536454831 /nfs/dbraw/zinc/45/48/31/536454831.db2.gz ZDPNUVQPPQPGBC-AWEZNQCLSA-N 1 0 331.395 1.537 50 0 EDAARO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc4nccn4c3)C2)CC1 ZINC000218856408 536414080 /nfs/dbraw/zinc/41/40/80/536414080.db2.gz NZDSUNZANDKZDY-INIZCTEOSA-N 1 0 341.459 1.434 50 0 EDAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)C1=NNC(=O)CC1 ZINC000012058629 710367945 /nfs/dbraw/zinc/36/79/45/710367945.db2.gz YJABNRXFXSYXHE-MRXNPFEDSA-N 1 0 342.443 1.466 50 0 EDAARO COc1ccc([C@H](O)C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1F ZINC000052827882 214148670 /nfs/dbraw/zinc/14/86/70/214148670.db2.gz JHJXFTWDGAGLBC-MRXNPFEDSA-N 1 0 336.407 1.858 50 0 EDAARO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1Br ZINC000053254480 214173215 /nfs/dbraw/zinc/17/32/15/214173215.db2.gz KLXGORFOCBZEEQ-VIFPVBQESA-N 1 0 337.214 1.619 50 0 EDAARO CCOc1ccc(NC(=O)C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)[O-])cc1 ZINC000056964123 214397377 /nfs/dbraw/zinc/39/73/77/214397377.db2.gz ZTVIQGJWHRFPHN-OAHLLOKOSA-N 1 0 337.420 1.408 50 0 EDAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000063194284 214750200 /nfs/dbraw/zinc/75/02/00/214750200.db2.gz HMSKOBBOXVFYBW-MWLCHTKSSA-N 1 0 326.447 1.582 50 0 EDAARO C[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C1CCCCCC1 ZINC000058265570 214521226 /nfs/dbraw/zinc/52/12/26/214521226.db2.gz ZCVPRINLYNGNHM-UHFFFAOYSA-N 1 0 334.420 1.291 50 0 EDAARO Cc1cc2n(n1)C[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccccc1)CN2 ZINC000058299940 214538061 /nfs/dbraw/zinc/53/80/61/214538061.db2.gz YVMHKCCLAPZDNQ-LZLYRXPVSA-N 1 0 344.459 1.962 50 0 EDAARO CC[NH+](CC)CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000058357355 214560301 /nfs/dbraw/zinc/56/03/01/214560301.db2.gz VLOGVSGHFIGOEG-UHFFFAOYSA-N 1 0 347.868 1.783 50 0 EDAARO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccs3)C2=O)cc1 ZINC000100650066 219103342 /nfs/dbraw/zinc/10/33/42/219103342.db2.gz CKXWWPCMSZEUFY-CQSZACIVSA-N 1 0 344.392 1.956 50 0 EDAARO Cc1nnc(NC(=O)NC[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)s1 ZINC000040526487 282330248 /nfs/dbraw/zinc/33/02/48/282330248.db2.gz DXLJZGPZNRTRGZ-UONOGXRCSA-N 1 0 349.460 1.879 50 0 EDAARO O=c1c2c(ncn1C[C@@H](O)c1cccnc1)sc1c2CC[NH2+]C1 ZINC000065381016 214881097 /nfs/dbraw/zinc/88/10/97/214881097.db2.gz YQUDJDIVLMWHEI-GFCCVEGCSA-N 1 0 328.397 1.232 50 0 EDAARO O=C([C@@H]1COc2ccccc2O1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000047717435 213866089 /nfs/dbraw/zinc/86/60/89/213866089.db2.gz UXHCWVAYFZZEMP-YOEHRIQHSA-N 1 0 332.400 1.007 50 0 EDAARO CCOC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000004093044 210119383 /nfs/dbraw/zinc/11/93/83/210119383.db2.gz FPWGGTZNLQQSQH-UHFFFAOYSA-N 1 0 347.400 1.549 50 0 EDAARO C[C@@H]1CN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000066891458 215091426 /nfs/dbraw/zinc/09/14/26/215091426.db2.gz ILKJPYOAQKOYTK-HUUCEWRRSA-N 1 0 347.463 1.152 50 0 EDAARO C[C@H]1C[N@@H+](C2CCN(Cc3nc(N)c4ccccc4n3)CC2)CCO1 ZINC000067400163 215140361 /nfs/dbraw/zinc/14/03/61/215140361.db2.gz NYEXVXAHZWTWOI-AWEZNQCLSA-N 1 0 341.459 1.897 50 0 EDAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@H](CNC(C)=O)C2)c1 ZINC000067756258 215205472 /nfs/dbraw/zinc/20/54/72/215205472.db2.gz GMRLQRPVBMVBDL-OAHLLOKOSA-N 1 0 328.416 1.839 50 0 EDAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(CN3CCOCC3)on2)C1 ZINC000067909287 215248525 /nfs/dbraw/zinc/24/85/25/215248525.db2.gz FDYRZTAKUUBYFR-AWEZNQCLSA-N 1 0 348.447 1.206 50 0 EDAARO CCCc1cc(CNC(=O)c2ccc(N3CC[C@@H]([NH3+])C3)nc2)on1 ZINC000067947581 215256150 /nfs/dbraw/zinc/25/61/50/215256150.db2.gz GUNGCXQRVAMSQK-CYBMUJFWSA-N 1 0 329.404 1.490 50 0 EDAARO NS(=O)(=O)c1cnc(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)s1 ZINC000068768373 215332667 /nfs/dbraw/zinc/33/26/67/215332667.db2.gz KGWOUVYVCQCVMN-NSHDSACASA-N 1 0 344.506 2.000 50 0 EDAARO C[C@H](NC(N)=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000069019166 215352919 /nfs/dbraw/zinc/35/29/19/215352919.db2.gz YISHNEHMKDHYFC-AWEZNQCLSA-N 1 0 332.448 1.736 50 0 EDAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000069295802 215375968 /nfs/dbraw/zinc/37/59/68/215375968.db2.gz UPGCPWLMEOTENW-DOTOQJQBSA-N 1 0 344.459 1.823 50 0 EDAARO C[C@@H](Cn1cccn1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000069348256 215381426 /nfs/dbraw/zinc/38/14/26/215381426.db2.gz DVBZTZSOLGMXAO-LBPRGKRZSA-N 1 0 327.837 1.989 50 0 EDAARO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000040554938 213348869 /nfs/dbraw/zinc/34/88/69/213348869.db2.gz XBJFCRFTZDQALA-GFCCVEGCSA-N 1 0 333.436 1.430 50 0 EDAARO COc1ccc(OC)c(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000040526031 213334916 /nfs/dbraw/zinc/33/49/16/213334916.db2.gz QQYDQWAHZVKNEN-ZDUSSCGKSA-N 1 0 337.420 1.672 50 0 EDAARO CCn1c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2nc(C)c1=O ZINC000040475478 213311275 /nfs/dbraw/zinc/31/12/75/213311275.db2.gz XPQPVWUCZMQVKF-UHFFFAOYSA-N 1 0 342.443 1.941 50 0 EDAARO C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccco1 ZINC000071859865 215891237 /nfs/dbraw/zinc/89/12/37/215891237.db2.gz HCBHRZVUVZHROC-KGLIPLIRSA-N 1 0 329.404 1.505 50 0 EDAARO NC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072128299 216019519 /nfs/dbraw/zinc/01/95/19/216019519.db2.gz BWNTVILDMZCVNG-GOSISDBHSA-N 1 0 337.423 1.494 50 0 EDAARO O=C(c1ccc(=O)[nH]c1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072130937 216020409 /nfs/dbraw/zinc/02/04/09/216020409.db2.gz FRCKMIMMQWPVGL-SFHVURJKSA-N 1 0 337.423 1.690 50 0 EDAARO C[N@H+](CC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1CCCC1 ZINC000072135439 216023285 /nfs/dbraw/zinc/02/32/85/216023285.db2.gz INSIGGPNEBCFGR-MRXNPFEDSA-N 1 0 347.434 1.917 50 0 EDAARO CC(C)O[C@H]1CN(C(=O)c2cccc(CC3CC[NH2+]CC3)c2)C[C@@H]1O ZINC000072163818 216052874 /nfs/dbraw/zinc/05/28/74/216052874.db2.gz WPXWJIZJBKZWIH-OALUTQOASA-N 1 0 346.471 1.839 50 0 EDAARO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000072242259 216081674 /nfs/dbraw/zinc/08/16/74/216081674.db2.gz MFIQWWCBAKKFJW-WBVHZDCISA-N 1 0 335.423 1.803 50 0 EDAARO Nc1nc2c(c(NCCOc3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000072428752 216221080 /nfs/dbraw/zinc/22/10/80/216221080.db2.gz HCWGJYBVNSJRGD-UHFFFAOYSA-N 1 0 333.823 1.891 50 0 EDAARO c1cn(Cc2noc(C3CCC3)n2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072430823 216223887 /nfs/dbraw/zinc/22/38/87/216223887.db2.gz OISBPKCUZBZCFA-UHFFFAOYSA-N 1 0 339.403 1.939 50 0 EDAARO NC(=O)CC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072432066 216225018 /nfs/dbraw/zinc/22/50/18/216225018.db2.gz NFFMYRMTEBGVEH-LJQANCHMSA-N 1 0 329.444 1.767 50 0 EDAARO CCOc1ccccc1CN1CCN(C(=O)C[NH+](C)C)C[C@@H]1CCO ZINC000072432173 216225665 /nfs/dbraw/zinc/22/56/65/216225665.db2.gz WLNOSRLQVWHIJI-KRWDZBQOSA-N 1 0 349.475 1.042 50 0 EDAARO O=C(c1ccoc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CC[NH2+]CC2)C1 ZINC000072454180 216241234 /nfs/dbraw/zinc/24/12/34/216241234.db2.gz XOZBVDLBLQBTSY-DOTOQJQBSA-N 1 0 345.443 1.732 50 0 EDAARO OC[C@@]1(O)CCC[N@H+](Cc2ccc(OCCCn3ccnc3)cc2)C1 ZINC000072478375 216256571 /nfs/dbraw/zinc/25/65/71/216256571.db2.gz ZHPSHOGEWZFIHH-LJQANCHMSA-N 1 0 345.443 1.671 50 0 EDAARO CC[NH+]1CCN(CCNC(=O)C2=C(C)Oc3ccccc3C2)CC1 ZINC000073639678 216405107 /nfs/dbraw/zinc/40/51/07/216405107.db2.gz HFJHYMFCSGDBJV-UHFFFAOYSA-N 1 0 329.444 1.649 50 0 EDAARO O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000238051552 296055514 /nfs/dbraw/zinc/05/55/14/296055514.db2.gz OXKKUSDZKYUYAJ-PBHICJAKSA-N 1 0 343.427 1.118 50 0 EDAARO CC[NH+]1CCN(C[C@H](O)COCc2cc(OC)ccc2OC)CC1 ZINC000022918060 212334697 /nfs/dbraw/zinc/33/46/97/212334697.db2.gz IDTVYAXSYANIGU-INIZCTEOSA-N 1 0 338.448 1.219 50 0 EDAARO O=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000195137745 240845524 /nfs/dbraw/zinc/84/55/24/240845524.db2.gz JRUUXOGYVUVYTF-QGZVFWFLSA-N 1 0 329.444 1.541 50 0 EDAARO Nc1nc(NCCC(=O)Nc2ccccc2)cc(C2CC(O)C2)[nH+]1 ZINC000222783057 241561182 /nfs/dbraw/zinc/56/11/82/241561182.db2.gz OCVBFHHMYVNUCN-UHFFFAOYSA-N 1 0 327.388 1.738 50 0 EDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCc2c1cnn2CCO ZINC000229193047 242149950 /nfs/dbraw/zinc/14/99/50/242149950.db2.gz VYNVAYNCXVXOEX-INMHGKMJSA-N 1 0 347.463 1.179 50 0 EDAARO C[C@H](C(=O)NCCC1=CCCCC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229502372 242169803 /nfs/dbraw/zinc/16/98/03/242169803.db2.gz QHWWEAVPISEETL-SJLPKXTDSA-N 1 0 346.475 1.979 50 0 EDAARO C[C@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C)C1 ZINC000229712524 242191548 /nfs/dbraw/zinc/19/15/48/242191548.db2.gz IGQPYCPIIVWCDP-MCIONIFRSA-N 1 0 348.534 1.143 50 0 EDAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000244811612 243084625 /nfs/dbraw/zinc/08/46/25/243084625.db2.gz SHTJKMMMACWYDX-INIZCTEOSA-N 1 0 332.423 1.901 50 0 EDAARO C[NH2+]CC1CCN(S(=O)(=O)c2c(C)csc2C(=O)OC)CC1 ZINC000253416098 243935580 /nfs/dbraw/zinc/93/55/80/243935580.db2.gz ZDHSTEUIPNJBAR-UHFFFAOYSA-N 1 0 346.474 1.463 50 0 EDAARO CCOc1ccccc1CN1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000019889067 212079598 /nfs/dbraw/zinc/07/95/98/212079598.db2.gz ZDSNGHLBYCOYQY-UHFFFAOYSA-N 1 0 347.503 1.660 50 0 EDAARO CC[NH+](CC)CCC[C@H](C)NC(C)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000019535435 212039709 /nfs/dbraw/zinc/03/97/09/212039709.db2.gz FDPUAKYLJCMJNG-LBPRGKRZSA-N 1 0 338.452 1.411 50 0 EDAARO Cc1ncc2c(c1-c1noc(CN3CCCCCC3=O)n1)CC[NH2+]C2 ZINC000019144536 212002213 /nfs/dbraw/zinc/00/22/13/212002213.db2.gz NSSQKLRVPJWXDM-UHFFFAOYSA-N 1 0 341.415 1.988 50 0 EDAARO C[C@H]1CN(C(=O)CN2c3ccccc3SCC2=O)C[C@H]1[NH+](C)C ZINC000078894472 217140683 /nfs/dbraw/zinc/14/06/83/217140683.db2.gz XZUYGCKENFPDCZ-GXTWGEPZSA-N 1 0 333.457 1.534 50 0 EDAARO C[C@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)N1CCOC[C@@H]1C ZINC000110703706 220058161 /nfs/dbraw/zinc/05/81/61/220058161.db2.gz RNYDJRXDSJIJGK-WWGRRREGSA-N 1 0 340.851 1.989 50 0 EDAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@@H](C)CO)CC2)c1 ZINC000012438336 211382081 /nfs/dbraw/zinc/38/20/81/211382081.db2.gz PZLABVXDELVLJH-ZDUSSCGKSA-N 1 0 348.443 1.811 50 0 EDAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ncccc1O)CC2 ZINC000091486518 218013166 /nfs/dbraw/zinc/01/31/66/218013166.db2.gz BQRUTYFALQCRAB-UHFFFAOYSA-N 1 0 341.415 1.520 50 0 EDAARO CC1(C(=O)N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)CC[NH2+]CC1 ZINC000091536184 218019555 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O=C(CCOc1cccc(F)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269068 441212779 /nfs/dbraw/zinc/21/27/79/441212779.db2.gz WBJYULGQVAAXDM-SJORKVTESA-N 1 0 336.407 1.652 50 0 EDAARO COc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OC ZINC000072269468 441213863 /nfs/dbraw/zinc/21/38/63/441213863.db2.gz JCMYGBXIVJZZIY-CVEARBPZSA-N 1 0 348.443 1.304 50 0 EDAARO C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)[C@H](C)n1cccn1 ZINC000072269895 441214693 /nfs/dbraw/zinc/21/46/93/441214693.db2.gz SYMGGIRTUUNZCJ-BXWFABGCSA-N 1 0 328.460 1.841 50 0 EDAARO COc1ccc(CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000072274016 441215677 /nfs/dbraw/zinc/21/56/77/441215677.db2.gz ZGARWGKOPOOKMF-NVXWUHKLSA-N 1 0 333.432 1.400 50 0 EDAARO Cc1cccnc1[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000072296431 441224888 /nfs/dbraw/zinc/22/48/88/441224888.db2.gz GMDVBFWVCGGAGR-ZBFHGGJFSA-N 1 0 332.448 1.401 50 0 EDAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000072300592 441226893 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O=C(NCCCn1cncn1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000048278406 441284013 /nfs/dbraw/zinc/28/40/13/441284013.db2.gz UIKFRVRGMKRPHW-CQSZACIVSA-N 1 0 348.476 1.866 50 0 EDAARO COc1ccc([C@@H](CNc2ccc3nnnn3n2)[NH+]2CCCC2)cc1 ZINC000024903436 441323964 /nfs/dbraw/zinc/32/39/64/441323964.db2.gz FTUMQIABEKNBSP-OAHLLOKOSA-N 1 0 339.403 1.777 50 0 EDAARO CC(C)C[N@@H+]1CCn2nc(CNS(=O)(=O)c3cccnc3)cc2C1 ZINC000082092906 441330865 /nfs/dbraw/zinc/33/08/65/441330865.db2.gz HXGWTEZESQYCTO-UHFFFAOYSA-N 1 0 349.460 1.228 50 0 EDAARO Oc1ccc(N2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)cc1 ZINC000023624654 441297578 /nfs/dbraw/zinc/29/75/78/441297578.db2.gz XDGCXLFDHUKUGF-ZWKOTPCHSA-N 1 0 336.432 1.071 50 0 EDAARO Cc1cccc(N2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)c1C ZINC000023625061 441297601 /nfs/dbraw/zinc/29/76/01/441297601.db2.gz BDRIATRVMGQYCC-RBUKOAKNSA-N 1 0 348.487 1.982 50 0 EDAARO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000062230403 441298569 /nfs/dbraw/zinc/29/85/69/441298569.db2.gz RXUVWKSWRNRYSH-DLBZAZTESA-N 1 0 329.444 1.493 50 0 EDAARO O[C@H](C[NH2+][C@@H]1CCCN(c2cccnn2)C1)COc1ccc(F)cc1 ZINC000106840154 441378526 /nfs/dbraw/zinc/37/85/26/441378526.db2.gz SPBSQVNPKRSHPE-HZPDHXFCSA-N 1 0 346.406 1.614 50 0 EDAARO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COCc2cccs2)C[C@H]1C ZINC000106869164 441382057 /nfs/dbraw/zinc/38/20/57/441382057.db2.gz RTVRIDMAYUDNIG-QLFBSQMISA-N 1 0 328.478 1.013 50 0 EDAARO C[NH+](C)CCNC(=O)c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000064746260 441390371 /nfs/dbraw/zinc/39/03/71/441390371.db2.gz UEKDBMLQPMCUAM-UHFFFAOYSA-N 1 0 329.404 1.628 50 0 EDAARO C[C@@H]1c2ccc(F)cc2CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073880912 441365050 /nfs/dbraw/zinc/36/50/50/441365050.db2.gz RDTIWRGOTOCPAR-UKRRQHHQSA-N 1 0 347.434 1.682 50 0 EDAARO Cc1nc(C2=CCN(CC(=O)NCC[NH+]3CCCCC3)CC2)no1 ZINC000065173591 441406070 /nfs/dbraw/zinc/40/60/70/441406070.db2.gz QNDGXYMIRJNIFW-UHFFFAOYSA-N 1 0 333.436 1.069 50 0 EDAARO Cc1nc(-c2cccnc2SCC(=O)NC2CC[NH+](C)CC2)no1 ZINC000065211273 441407394 /nfs/dbraw/zinc/40/73/94/441407394.db2.gz DDAGMEBDIDQWFR-UHFFFAOYSA-N 1 0 347.444 1.743 50 0 EDAARO CCn1c(=O)n(Cc2cccc(OC)c2OC)nc1C1CC[NH2+]CC1 ZINC000065399335 441425249 /nfs/dbraw/zinc/42/52/49/441425249.db2.gz NQSILFGEKLCEDF-UHFFFAOYSA-N 1 0 346.431 1.597 50 0 EDAARO CCOc1ccccc1N1C[C@@H](C(=O)NCC[N@H+](C)C2CC2)CC1=O ZINC000065403025 441426627 /nfs/dbraw/zinc/42/66/27/441426627.db2.gz ZCGRMXJPKWFKFS-AWEZNQCLSA-N 1 0 345.443 1.649 50 0 EDAARO Cc1cc(NCCS(=O)(=O)N(C)C)nc(N2CCCCC2)[nH+]1 ZINC000065410340 441428305 /nfs/dbraw/zinc/42/83/05/441428305.db2.gz XSJWQEKYCDSPSQ-UHFFFAOYSA-N 1 0 327.454 1.079 50 0 EDAARO CCn1c(CC2CC[NH+](Cc3ccnc(C(C)C)n3)CC2)n[nH]c1=O ZINC000065430729 441432001 /nfs/dbraw/zinc/43/20/01/441432001.db2.gz FTPBXWBRQNADHD-UHFFFAOYSA-N 1 0 344.463 1.959 50 0 EDAARO CC[NH+]1CCN(CCNC(=O)c2cc(-c3ccccc3C)n[nH]2)CC1 ZINC000065437199 441433925 /nfs/dbraw/zinc/43/39/25/441433925.db2.gz RCDNPDIGASKJOG-UHFFFAOYSA-N 1 0 341.459 1.752 50 0 EDAARO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)COCc3ccco3)C2)nn1 ZINC000108075591 441435647 /nfs/dbraw/zinc/43/56/47/441435647.db2.gz SMSWZFROWPEWNV-HZPDHXFCSA-N 1 0 346.431 1.514 50 0 EDAARO Cn1nccc1C1CC[NH+]([C@@H](C(=O)NC(N)=O)c2ccccc2)CC1 ZINC000065478570 441442178 /nfs/dbraw/zinc/44/21/78/441442178.db2.gz VFLHKIAOPXMCSS-MRXNPFEDSA-N 1 0 341.415 1.536 50 0 EDAARO CCn1nc(C)c(NC(=O)C[NH2+]C[C@@H]2COc3ccccc3O2)c1C ZINC000065489027 441443050 /nfs/dbraw/zinc/44/30/50/441443050.db2.gz WYFIKNAIMYSLBB-CQSZACIVSA-N 1 0 344.415 1.888 50 0 EDAARO C[NH+]1CCN(C[C@H](NC(=O)c2ccc[nH]c2=O)c2ccccc2)CC1 ZINC000065493523 441445565 /nfs/dbraw/zinc/44/55/65/441445565.db2.gz HVZPYPXGDTVSDM-KRWDZBQOSA-N 1 0 340.427 1.506 50 0 EDAARO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000107066005 441399742 /nfs/dbraw/zinc/39/97/42/441399742.db2.gz XOYIMSCWEFLHMT-GDBMZVCRSA-N 1 0 347.463 1.722 50 0 EDAARO CN1CCO[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000065611152 441469905 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CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)C(C)C ZINC000031379463 441523772 /nfs/dbraw/zinc/52/37/72/441523772.db2.gz IZKMNOLTPXGZGU-MRXNPFEDSA-N 1 0 330.436 1.759 50 0 EDAARO CCn1cnnc1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000089310143 441537470 /nfs/dbraw/zinc/53/74/70/441537470.db2.gz MLXKUYSTJPWNRX-ZDUSSCGKSA-N 1 0 348.476 1.996 50 0 EDAARO CN(CC[NH+](C)C)C(=O)Cc1cccc(I)c1 ZINC000089314254 441538076 /nfs/dbraw/zinc/53/80/76/441538076.db2.gz YAQUHQOQNGSHCU-UHFFFAOYSA-N 1 0 346.212 1.854 50 0 EDAARO CC[NH+]1CCN(CCC(=O)N2CCO[C@@H](c3ccccc3C)C2)CC1 ZINC000076087254 441595261 /nfs/dbraw/zinc/59/52/61/441595261.db2.gz NQNMOQPREHVBEX-LJQANCHMSA-N 1 0 345.487 1.923 50 0 EDAARO CCCn1nc(C)c(C[NH2+]CC2(S(C)(=O)=O)CCOCC2)c1C ZINC000089960634 441605175 /nfs/dbraw/zinc/60/51/75/441605175.db2.gz DLVXUTFBQVUVKL-UHFFFAOYSA-N 1 0 343.493 1.593 50 0 EDAARO CS(=O)(=O)NCCC[NH2+]Cc1cc(F)ccc1Br ZINC000090168660 441624428 /nfs/dbraw/zinc/62/44/28/441624428.db2.gz VTPGRPWIIQNDIJ-UHFFFAOYSA-N 1 0 339.230 1.617 50 0 EDAARO O=C(NC[C@H]1CCCO1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000040539906 441627885 /nfs/dbraw/zinc/62/78/85/441627885.db2.gz UJLTUASHFPZHHJ-CQSZACIVSA-N 1 0 327.494 1.826 50 0 EDAARO CC[NH+]1CCN(c2ncc3c(=O)n(Cc4ccc(C)o4)cc-3[nH]2)CC1 ZINC000041121704 441633058 /nfs/dbraw/zinc/63/30/58/441633058.db2.gz VIZRNLDRAHADEC-UHFFFAOYSA-N 1 0 341.415 1.676 50 0 EDAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)CCN1c2ccccc2OCC1=O ZINC000067885056 441693538 /nfs/dbraw/zinc/69/35/38/441693538.db2.gz IJQCOFVQTHDEBN-LJQANCHMSA-N 1 0 345.443 1.602 50 0 EDAARO O=c1c2c(ncn1Cc1ccc3c(c1)OCO3)sc1c2CC[NH2+]C1 ZINC000077286224 441747787 /nfs/dbraw/zinc/74/77/87/441747787.db2.gz ZUDBFLFUJWJLHS-UHFFFAOYSA-N 1 0 341.392 1.881 50 0 EDAARO CC(C)CCN1C[C@@]2(CCC[N@H+](CCCn3cnnn3)C2)CCC1=O ZINC000077297888 441749369 /nfs/dbraw/zinc/74/93/69/441749369.db2.gz KRHZLLULTULYAJ-SFHVURJKSA-N 1 0 348.495 1.814 50 0 EDAARO Cc1nnnn1CCC[N@H+]1CCC[C@]2(CCC(=O)N(C(C)C)C2)C1 ZINC000077341421 441758124 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C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000095362724 441912220 /nfs/dbraw/zinc/91/22/20/441912220.db2.gz ASFHITHZRXICSJ-OAHLLOKOSA-N 1 0 332.448 1.421 50 0 EDAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCCN(c3ncccn3)CC2)C1 ZINC000095357761 441912829 /nfs/dbraw/zinc/91/28/29/441912829.db2.gz BVHDBFXTFVDSEU-INIZCTEOSA-N 1 0 331.464 1.637 50 0 EDAARO CC[NH+]1CCN(C[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2CO)CC1 ZINC000095379473 441914795 /nfs/dbraw/zinc/91/47/95/441914795.db2.gz RKNZHHUYZJWPJW-HZPDHXFCSA-N 1 0 344.459 1.510 50 0 EDAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(CCn2cccc2)CC1 ZINC000095378060 441914894 /nfs/dbraw/zinc/91/48/94/441914894.db2.gz HFFLZYSQECWWGS-GOSISDBHSA-N 1 0 332.492 1.897 50 0 EDAARO CC(C)[NH+]1CCC(C(=O)NCc2nc(-c3ncccn3)no2)CC1 ZINC000095385354 441917569 /nfs/dbraw/zinc/91/75/69/441917569.db2.gz UKXSOGPORYGIDK-UHFFFAOYSA-N 1 0 330.392 1.263 50 0 EDAARO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000069326847 441918287 /nfs/dbraw/zinc/91/82/87/441918287.db2.gz 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O=S(=O)(N1CCCCC1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000078868453 441981251 /nfs/dbraw/zinc/98/12/51/441981251.db2.gz ZNESKASUJYPVEW-UHFFFAOYSA-N 1 0 343.518 1.987 50 0 EDAARO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)c(C)cc1Br ZINC000125076622 441981912 /nfs/dbraw/zinc/98/19/12/441981912.db2.gz HPEZFFOKDNNTGZ-JTQLQIEISA-N 1 0 333.251 1.788 50 0 EDAARO C[C@@H](CNC(=O)CCn1cnc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000079310643 442038199 /nfs/dbraw/zinc/03/81/99/442038199.db2.gz VDRCNIPKHYNHHM-INIZCTEOSA-N 1 0 343.475 1.426 50 0 EDAARO C[NH+]1CCN(CCCNC(=O)[C@H]2CCOc3ccccc3C2)CC1 ZINC000096139384 442044037 /nfs/dbraw/zinc/04/40/37/442044037.db2.gz WPIVJQQLCJATPT-KRWDZBQOSA-N 1 0 331.460 1.382 50 0 EDAARO NC(=O)Cc1nc([C@@H]2CC[NH2+]C2)n(Cc2c(F)cccc2Cl)n1 ZINC000096163178 442052252 /nfs/dbraw/zinc/05/22/52/442052252.db2.gz UULMVJJYRVCTQK-SECBINFHSA-N 1 0 337.786 1.224 50 0 EDAARO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(NS(C)(=O)=O)c2)C1 ZINC000096180447 442054420 /nfs/dbraw/zinc/05/44/20/442054420.db2.gz 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C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000040597528 441629234 /nfs/dbraw/zinc/62/92/34/441629234.db2.gz QMIBGMVXYRVXFD-LLVKDONJSA-N 1 0 332.853 1.969 50 0 EDAARO Cc1ccc(OCCCN(C)C(=O)c2cn(CC[NH3+])nn2)cc1C ZINC000055359345 441644604 /nfs/dbraw/zinc/64/46/04/441644604.db2.gz VASNUKDXKQKNSY-UHFFFAOYSA-N 1 0 331.420 1.395 50 0 EDAARO [NH3+]Cc1cn(C2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)nn1 ZINC000067515471 441648122 /nfs/dbraw/zinc/64/81/22/441648122.db2.gz GXYHHVPTSJUXQV-INIZCTEOSA-N 1 0 339.443 1.705 50 0 EDAARO COc1ccccc1C(=O)NCCNc1cc(N(C)C)nc(C)[nH+]1 ZINC000067622399 441659615 /nfs/dbraw/zinc/65/96/15/441659615.db2.gz NJZPMEUENGOWFC-UHFFFAOYSA-N 1 0 329.404 1.702 50 0 EDAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc3c(c2)OCO3)n1 ZINC000067629774 441660178 /nfs/dbraw/zinc/66/01/78/441660178.db2.gz KRQKUCNODJCEEE-UHFFFAOYSA-N 1 0 343.387 1.787 50 0 EDAARO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000067803148 441680610 /nfs/dbraw/zinc/68/06/10/441680610.db2.gz 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CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000022999702 212341883 /nfs/dbraw/zinc/34/18/83/212341883.db2.gz JFAZEEWMWVLGOR-UHFFFAOYSA-N 1 0 325.434 1.265 50 0 EDAARO O=S(=O)(NCC[NH2+]Cc1sccc1Cl)c1cccnc1 ZINC000193173837 240047421 /nfs/dbraw/zinc/04/74/21/240047421.db2.gz GFLGNGFAXYUQMP-UHFFFAOYSA-N 1 0 331.850 1.865 50 0 EDAARO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000229557504 242178429 /nfs/dbraw/zinc/17/84/29/242178429.db2.gz YSUBQHOIBDCDDB-VYDXJSESSA-N 1 0 347.459 1.277 50 0 EDAARO O=C(COc1ccc2c(c1)CCC(=O)N2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229713732 242190477 /nfs/dbraw/zinc/19/04/77/242190477.db2.gz SXXFJYCHVNKKDJ-SJORKVTESA-N 1 0 343.427 1.693 50 0 EDAARO O=C(NCC12CCC[NH+]1CCC2)[C@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000244816997 243085271 /nfs/dbraw/zinc/08/52/71/243085271.db2.gz SSNJWMHCXOXUNT-AWEZNQCLSA-N 1 0 343.427 1.490 50 0 EDAARO O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067886127 202944047 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Cc1cc(CN2CCN(C(=O)NCC3([NH+](C)C)CCCC3)CC2)no1 ZINC000043146805 441822344 /nfs/dbraw/zinc/82/23/44/441822344.db2.gz IAFSXHOVCGQGAB-UHFFFAOYSA-N 1 0 349.479 1.685 50 0 EDAARO CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1CC ZINC000095436861 441926738 /nfs/dbraw/zinc/92/67/38/441926738.db2.gz XVTUCIRITJBNJS-HZPDHXFCSA-N 1 0 347.463 1.321 50 0 EDAARO O=C(NCCNC(=O)[C@H]1CCC[N@@H+](C2CCCC2)C1)c1cccnc1 ZINC000095380152 441916479 /nfs/dbraw/zinc/91/64/79/441916479.db2.gz AIFGERMAAWWXJS-INIZCTEOSA-N 1 0 344.459 1.582 50 0 EDAARO COc1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1=O ZINC000095388034 441918700 /nfs/dbraw/zinc/91/87/00/441918700.db2.gz KLHILPOIVJKUIE-GOEBONIOSA-N 1 0 345.443 1.606 50 0 EDAARO CCN1CC2(CC[NH+](CCC(N)=O)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095390964 441918742 /nfs/dbraw/zinc/91/87/42/441918742.db2.gz KBTJDZPQBIYYSJ-KRWDZBQOSA-N 1 0 343.471 1.980 50 0 EDAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2nccnc2N)[C@@H]1c1ccccc1 ZINC000095396800 441920328 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O=C(CN1CC2(CC[NH2+]CC2)OC1=O)N1CCC[C@H]1c1ccco1 ZINC000095527136 441949411 /nfs/dbraw/zinc/94/94/11/441949411.db2.gz KBAYBJODONKBOH-ZDUSSCGKSA-N 1 0 333.388 1.518 50 0 EDAARO Nc1nc2nc[nH]c2c(N2CCC[N@H+](Cc3cccc(F)c3)CC2)n1 ZINC000095529608 441951297 /nfs/dbraw/zinc/95/12/97/441951297.db2.gz IIYBZBIHXHOVAY-UHFFFAOYSA-N 1 0 341.394 1.787 50 0 EDAARO Cc1nsc(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)n1 ZINC000095939795 441955014 /nfs/dbraw/zinc/95/50/14/441955014.db2.gz UWVCWVPYTJLKKJ-AWEZNQCLSA-N 1 0 335.477 1.370 50 0 EDAARO CC(=O)N1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000095946662 441955668 /nfs/dbraw/zinc/95/56/68/441955668.db2.gz KZQKOXKJXJJTMV-SFHVURJKSA-N 1 0 329.444 1.732 50 0 EDAARO COc1c(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c(C)nn1C ZINC000069512585 441958758 /nfs/dbraw/zinc/95/87/58/441958758.db2.gz UBQJKONOGYOGFF-UHFFFAOYSA-N 1 0 332.404 1.725 50 0 EDAARO CCc1nnc(CN2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)o1 ZINC000078896260 441989286 /nfs/dbraw/zinc/98/92/86/441989286.db2.gz UOQOCRWLULVYNP-UKRRQHHQSA-N 1 0 335.452 1.007 50 0 EDAARO COc1ccc(C)cc1C[N@@H+]1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000078896142 441989780 /nfs/dbraw/zinc/98/97/80/441989780.db2.gz UJZPUQARPWOJTB-QFBILLFUSA-N 1 0 345.487 1.988 50 0 EDAARO COc1ccc(C(=O)NCc2cnc(C)cc2C)c(OCC[NH3+])c1 ZINC000426438957 447444984 /nfs/dbraw/zinc/44/49/84/447444984.db2.gz YGTFCUZFGPMQOH-UHFFFAOYSA-N 1 0 329.400 1.975 50 0 EDAARO CC[C@@H]1CN(CC(=O)Nc2nc(C)cs2)CC[N@@H+]1CCOC ZINC000069739245 442025947 /nfs/dbraw/zinc/02/59/47/442025947.db2.gz WWELSOBZZDMBRI-CYBMUJFWSA-N 1 0 326.466 1.433 50 0 EDAARO C[C@H](CNC(=O)CCn1cnc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000079310645 442038169 /nfs/dbraw/zinc/03/81/69/442038169.db2.gz VDRCNIPKHYNHHM-MRXNPFEDSA-N 1 0 343.475 1.426 50 0 EDAARO Cc1nnsc1C[NH2+]C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000096139389 442043801 /nfs/dbraw/zinc/04/38/01/442043801.db2.gz JDNHIYLUIAFDNZ-UHFFFAOYSA-N 1 0 330.421 1.271 50 0 EDAARO CN(CC(=O)NC[C@@H]1CCOc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000096179649 442053776 /nfs/dbraw/zinc/05/37/76/442053776.db2.gz MGUBIZDDFIYYDA-MRXNPFEDSA-N 1 0 345.487 1.770 50 0 EDAARO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2cccnc2)ccc1F ZINC000096407042 442116202 /nfs/dbraw/zinc/11/62/02/442116202.db2.gz XHQNCNIQXNJTBT-UHFFFAOYSA-N 1 0 330.363 1.537 50 0 EDAARO C[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cccn1)[N@H+](C)C1CC1 ZINC000096410757 442117473 /nfs/dbraw/zinc/11/74/73/442117473.db2.gz AAUFNGXVVGLKDE-CYBMUJFWSA-N 1 0 341.415 1.410 50 0 EDAARO C[C@@H](CNS(=O)(=O)Cc1cccc(F)c1)CN1CC[NH+](C)CC1 ZINC000096428375 442127452 /nfs/dbraw/zinc/12/74/52/442127452.db2.gz BAIASOZYUVBVNG-AWEZNQCLSA-N 1 0 343.468 1.129 50 0 EDAARO CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](O)c3ccco3)cc2)CC1 ZINC000096436074 442129772 /nfs/dbraw/zinc/12/97/72/442129772.db2.gz YXUKIMQAHPPNAZ-KRWDZBQOSA-N 1 0 343.427 1.885 50 0 EDAARO C[C@@H]([NH2+]CCS(=O)(=O)N1CCSCC1)c1ccc(F)cc1 ZINC000096477304 442139296 /nfs/dbraw/zinc/13/92/96/442139296.db2.gz MKGXPEREMMHZRT-GFCCVEGCSA-N 1 0 332.466 1.855 50 0 EDAARO COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c(C)c1F ZINC000096501615 442145659 /nfs/dbraw/zinc/14/56/59/442145659.db2.gz XWRZTTLWASXYFS-NEPJUHHUSA-N 1 0 330.425 1.904 50 0 EDAARO O=C(NCCCn1ccnn1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000096502166 442145741 /nfs/dbraw/zinc/14/57/41/442145741.db2.gz CYKYCXVPURWURZ-HNNXBMFYSA-N 1 0 334.468 1.765 50 0 EDAARO C[NH+](C)C[C@](C)(O)CNCc1cc(Br)cc2c1OCC2 ZINC000097142173 442175070 /nfs/dbraw/zinc/17/50/70/442175070.db2.gz DCXPURZHHITEPH-OAHLLOKOSA-N 1 0 343.265 1.786 50 0 EDAARO COCCCCS(=O)(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000097163788 442178013 /nfs/dbraw/zinc/17/80/13/442178013.db2.gz ALTPGICNDREFFQ-UHFFFAOYSA-N 1 0 332.510 1.939 50 0 EDAARO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cccc(F)c2F)CC1 ZINC000097166148 442178449 /nfs/dbraw/zinc/17/84/49/442178449.db2.gz GUTUUDLJXLNGMV-GFCCVEGCSA-N 1 0 347.431 1.269 50 0 EDAARO Cn1nc(CC(C)(C)C)cc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000163250930 442154217 /nfs/dbraw/zinc/15/42/17/442154217.db2.gz CAIYTYDLWRYPGP-UHFFFAOYSA-N 1 0 345.451 1.777 50 0 EDAARO [NH3+]C1(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)Cc2ccccc2C1 ZINC000097019912 442156562 /nfs/dbraw/zinc/15/65/62/442156562.db2.gz WLPGGZYHYGALCD-OAHLLOKOSA-N 1 0 340.402 1.412 50 0 EDAARO COC(=O)[C@@H](O)C1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000097034017 442158353 /nfs/dbraw/zinc/15/83/53/442158353.db2.gz RPKKAMSJPCYSFV-INIZCTEOSA-N 1 0 349.456 1.895 50 0 EDAARO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cccc(C(N)=O)c2)C1 ZINC000097049196 442159932 /nfs/dbraw/zinc/15/99/32/442159932.db2.gz WRWHRCWFKGENEJ-CVEARBPZSA-N 1 0 330.432 1.411 50 0 EDAARO C[C@H]1C[C@@H](NC(=O)N2CCC(CC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000097080572 442163331 /nfs/dbraw/zinc/16/33/31/442163331.db2.gz BMPARGMRSNCYGB-DZGCQCFKSA-N 1 0 336.480 1.512 50 0 EDAARO C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000165041182 442206068 /nfs/dbraw/zinc/20/60/68/442206068.db2.gz SJIMYPUFMXZFDO-AWEZNQCLSA-N 1 0 327.469 1.431 50 0 EDAARO O=C(Cc1cccc(O)c1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000170593808 442233224 /nfs/dbraw/zinc/23/32/24/442233224.db2.gz AZSRLQKUKLIBBC-LJQANCHMSA-N 1 0 340.423 1.818 50 0 EDAARO CC(C)[NH+]1CCN(CCCn2nnc(-c3cccc(F)c3)n2)CC1 ZINC000170605547 442235000 /nfs/dbraw/zinc/23/50/00/442235000.db2.gz VHEIEHCXZWCQOE-UHFFFAOYSA-N 1 0 332.427 1.895 50 0 EDAARO C[C@H]1C[NH+](CCC2CCN(C(=O)Cc3cc[nH]n3)CC2)C[C@H](C)O1 ZINC000178251827 442418677 /nfs/dbraw/zinc/41/86/77/442418677.db2.gz YBIOAAPTNQGDAN-GJZGRUSLSA-N 1 0 334.464 1.690 50 0 EDAARO Cc1n[nH]c(C)c1CC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000187087071 442651192 /nfs/dbraw/zinc/65/11/92/442651192.db2.gz IPMPXGGVHNUFTN-UHFFFAOYSA-N 1 0 334.464 1.720 50 0 EDAARO [NH3+][C@@H]1CCCN(C(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000157887026 442624170 /nfs/dbraw/zinc/62/41/70/442624170.db2.gz PSFRTEPGBAORTE-LLVKDONJSA-N 1 0 332.322 1.956 50 0 EDAARO O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000192765269 442684467 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O=S1(=O)CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000048686433 441323715 /nfs/dbraw/zinc/32/37/15/441323715.db2.gz LQSCSRVFDSUAIU-LBPRGKRZSA-N 1 0 335.385 1.082 50 0 EDAARO CN1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000106908594 441389252 /nfs/dbraw/zinc/38/92/52/441389252.db2.gz GPCOZDJLKWBIIT-CHWSQXEVSA-N 1 0 349.258 1.653 50 0 EDAARO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000106827103 441377156 /nfs/dbraw/zinc/37/71/56/441377156.db2.gz AYOIBLXNTXNMHT-TZMCWYRMSA-N 1 0 329.400 1.759 50 0 EDAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@H](C)C(=O)Nc2cc(C)on2)cn1 ZINC000107353850 441411616 /nfs/dbraw/zinc/41/16/16/441411616.db2.gz YOMHKZWEDPNHSY-XJKCOSOUSA-N 1 0 347.419 1.894 50 0 EDAARO Cc1cc(N(C)C)nc(NCCNS(=O)(=O)Cc2ccccc2)[nH+]1 ZINC000065362606 441419316 /nfs/dbraw/zinc/41/93/16/441419316.db2.gz PZOWIDXWBVNIEL-UHFFFAOYSA-N 1 0 349.460 1.383 50 0 EDAARO Cc1nn(CCO)c(C)c1CN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000065403320 441426244 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441964444 /nfs/dbraw/zinc/96/44/44/441964444.db2.gz RNJJOCYRQJWPHV-KRWDZBQOSA-N 1 0 329.444 1.464 50 0 EDAARO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096007663 441979200 /nfs/dbraw/zinc/97/92/00/441979200.db2.gz PKHKLAGRTYTNSC-UHFFFAOYSA-N 1 0 337.367 1.817 50 0 EDAARO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)nnn1-c1ccc(F)c(Cl)c1 ZINC000125177356 441993030 /nfs/dbraw/zinc/99/30/30/441993030.db2.gz SCMDMNYRTMDHAP-SECBINFHSA-N 1 0 337.786 1.802 50 0 EDAARO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000069630585 441996895 /nfs/dbraw/zinc/99/68/95/441996895.db2.gz MLLNNHPXUOQDJW-MRXNPFEDSA-N 1 0 343.431 1.315 50 0 EDAARO COc1cc(C[NH2+][C@H]2CCc3nc(C)nn3C2)cc2c1OCCO2 ZINC000069661261 442005960 /nfs/dbraw/zinc/00/59/60/442005960.db2.gz DESJRHFZQTUPGE-ZDUSSCGKSA-N 1 0 330.388 1.471 50 0 EDAARO Cn1ccnc1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000079052187 442013041 /nfs/dbraw/zinc/01/30/41/442013041.db2.gz CDZBIYQFOLGPCX-UHFFFAOYSA-N 1 0 349.479 1.502 50 0 EDAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CCc3ccccc32)C1 ZINC000079361715 442041717 /nfs/dbraw/zinc/04/17/17/442041717.db2.gz KKEWOAHSFBNUIX-SJORKVTESA-N 1 0 343.471 1.810 50 0 EDAARO Cc1cc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CCc3nnc(C(C)C)n3C2)no1 ZINC000069874636 442064085 /nfs/dbraw/zinc/06/40/85/442064085.db2.gz RCGAOHZHTTVAGJ-CHWSQXEVSA-N 1 0 346.435 1.877 50 0 EDAARO c1cnn(C[C@H]2CCC[N@H+]2CCCc2nnnn2-c2ccccc2)c1 ZINC000069902141 442071517 /nfs/dbraw/zinc/07/15/17/442071517.db2.gz FBKFAKBKSCTCSX-QGZVFWFLSA-N 1 0 337.431 1.956 50 0 EDAARO Cc1ncc2c(n1)C[N@@H+](CCCc1nnnn1-c1ccccc1)CC2 ZINC000069902140 442071771 /nfs/dbraw/zinc/07/17/71/442071771.db2.gz LRISJRMKYCUOPT-UHFFFAOYSA-N 1 0 335.415 1.752 50 0 EDAARO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2c(F)cccc2F)C1 ZINC000096413287 442118936 /nfs/dbraw/zinc/11/89/36/442118936.db2.gz SYXLROHNXKCAFV-LBPRGKRZSA-N 1 0 327.375 1.527 50 0 EDAARO CNC(=O)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000096444906 442133405 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O=C(C[NH+]1CCCC1)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000219865013 443060937 /nfs/dbraw/zinc/06/09/37/443060937.db2.gz VEQYGMBDHUUGSO-ZIAGYGMSSA-N 1 0 325.434 1.029 50 0 EDAARO Cc1cc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)on1 ZINC000253425854 443065267 /nfs/dbraw/zinc/06/52/67/443065267.db2.gz HCDJXWSFXMNTNL-OAHLLOKOSA-N 1 0 327.450 1.809 50 0 EDAARO NC(=O)[C@H]1CCC[N@H+](Cc2cnc(NCc3ccccc3)nc2)C1 ZINC000222945547 443083365 /nfs/dbraw/zinc/08/33/65/443083365.db2.gz CJOIPLLXNDZCOP-INIZCTEOSA-N 1 0 325.416 1.786 50 0 EDAARO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3nnc(C4CC4)o3)C[C@@H]2C)CC1 ZINC000229918693 443133131 /nfs/dbraw/zinc/13/31/31/443133131.db2.gz MKAIHPHYMIYQMP-XJKSGUPXSA-N 1 0 347.463 1.322 50 0 EDAARO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncnc(N)c1Cl ZINC000225488197 443107917 /nfs/dbraw/zinc/10/79/17/443107917.db2.gz OZHASOPNUSDRMO-QGZVFWFLSA-N 1 0 347.850 1.785 50 0 EDAARO COC[C@@H]1CC(F)(F)CN1C1CCN(C(=O)Cn2cccn2)CC1 ZINC000257193503 443122601 /nfs/dbraw/zinc/12/26/01/443122601.db2.gz 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C[C@H]1c2ccccc2CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237502442 443174296 /nfs/dbraw/zinc/17/42/96/443174296.db2.gz OEXMIKOFIFQJND-ZDUSSCGKSA-N 1 0 325.416 1.962 50 0 EDAARO Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c(OCC(=O)N(C)C)c1 ZINC000237157738 443161522 /nfs/dbraw/zinc/16/15/22/443161522.db2.gz UQYYIWZBOGWTFC-CQSZACIVSA-N 1 0 345.443 1.790 50 0 EDAARO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000239722352 443201671 /nfs/dbraw/zinc/20/16/71/443201671.db2.gz CCKCWQOZCKLXDB-MJVIPROJSA-N 1 0 344.864 1.682 50 0 EDAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CCC(c4ncc[nH]4)CC3)nn2)CC1 ZINC000244872981 443215931 /nfs/dbraw/zinc/21/59/31/443215931.db2.gz WHXPPRFYIRWYIQ-OKILXGFUSA-N 1 0 343.435 1.463 50 0 EDAARO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)NC[C@@]1(O)CCOC1 ZINC000246054370 443264285 /nfs/dbraw/zinc/26/42/85/443264285.db2.gz BBDLLMLWPBOUFB-MJGOQNOKSA-N 1 0 347.459 1.492 50 0 EDAARO C[C@H](CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C[NH+](C)C ZINC000294068919 444100431 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[NH3+]CCOc1cccc(C(=O)NC2CCN(c3cnccn3)CC2)c1 ZINC000426604570 447479247 /nfs/dbraw/zinc/47/92/47/447479247.db2.gz QMIKVIHRTXSUQQ-UHFFFAOYSA-N 1 0 341.415 1.213 50 0 EDAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3nccn3C)cc2)C1 ZINC000426651168 447485672 /nfs/dbraw/zinc/48/56/72/447485672.db2.gz AHCRVNHNJLCVIX-OAHLLOKOSA-N 1 0 342.443 1.785 50 0 EDAARO CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000408516754 447671104 /nfs/dbraw/zinc/67/11/04/447671104.db2.gz WDSQAMCQRMWSIN-LIRRHRJNSA-N 1 0 346.427 1.229 50 0 EDAARO C[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)COCc1ccccc1 ZINC000408523517 447675838 /nfs/dbraw/zinc/67/58/38/447675838.db2.gz KSLVARDMTNAPQY-PVAVHDDUSA-N 1 0 335.448 1.156 50 0 EDAARO C[C@H](CNC(=O)N1CCN(C(=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000534587847 448456380 /nfs/dbraw/zinc/45/63/80/448456380.db2.gz RHQXKOMHJZWNSK-MRXNPFEDSA-N 1 0 344.459 1.638 50 0 EDAARO COc1c(N)cc[nH+]c1-c1ccc(C(=O)NCC(=O)NC(C)C)cc1 ZINC000584895612 448668003 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Cc1ccccc1CCC(=O)N1CC([NH+]2CCC(C(N)=O)CC2)C1 ZINC000390825915 486461396 /nfs/dbraw/zinc/46/13/96/486461396.db2.gz PMVGUXJJKRCTAY-UHFFFAOYSA-N 1 0 329.444 1.336 50 0 EDAARO Cc1cc(C)n(C[C@@H](C)[NH+]2CCN(c3ccc4nccn4n3)CC2)n1 ZINC000670442338 486521405 /nfs/dbraw/zinc/52/14/05/486521405.db2.gz DTXVKFOETMGAST-MRXNPFEDSA-N 1 0 339.447 1.753 50 0 EDAARO Cn1ncc(Cl)c1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000132052754 534830745 /nfs/dbraw/zinc/83/07/45/534830745.db2.gz DTFLPYBFECFBKI-UHFFFAOYSA-N 1 0 332.857 1.120 50 0 EDAARO CNC(=O)c1ccc(CNc2cc(C3CC([NH3+])C3)nc(COC)n2)o1 ZINC000222637178 536428616 /nfs/dbraw/zinc/42/86/16/536428616.db2.gz PRYJZGWPWMPCRO-UHFFFAOYSA-N 1 0 345.403 1.392 50 0 EDAARO C[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C(N)=O)(c2ccccc2)CC1 ZINC000870190217 596791491 /nfs/dbraw/zinc/79/14/91/596791491.db2.gz WLWUGQALFMSFBF-INIZCTEOSA-N 1 0 344.459 1.309 50 0 EDAARO CN(C)c1cc[nH+]cc1C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000183478437 701715121 /nfs/dbraw/zinc/71/51/21/701715121.db2.gz XXFBORDQZWLWTC-UHFFFAOYSA-N 1 0 325.416 1.501 50 0 EDAARO CCC(CC)n1ncc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1C ZINC000390832855 282303049 /nfs/dbraw/zinc/30/30/49/282303049.db2.gz CMRDNOMTFMIRPM-LBPRGKRZSA-N 1 0 337.468 1.349 50 0 EDAARO NC(=O)c1cnc(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)[nH]1 ZINC000685941151 539579805 /nfs/dbraw/zinc/57/98/05/539579805.db2.gz SZTWNYOEEBOVOX-OAHLLOKOSA-N 1 0 332.379 1.561 50 0 EDAARO CC[NH+]1CCN(C[C@H](O)COCc2ccc(OC)c(OC)c2)CC1 ZINC000019790801 202021132 /nfs/dbraw/zinc/02/11/32/202021132.db2.gz RCOFTKUGCLXGMV-INIZCTEOSA-N 1 0 338.448 1.219 50 0 EDAARO C[C@](O)(C[NH2+]CCN1CCOCC1)COc1ccc(Cl)cc1 ZINC000020445221 202041850 /nfs/dbraw/zinc/04/18/50/202041850.db2.gz DEUYMYOMHWVTRJ-INIZCTEOSA-N 1 0 328.840 1.392 50 0 EDAARO CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000020777778 202055092 /nfs/dbraw/zinc/05/50/92/202055092.db2.gz WWLFPTQXEYDOJL-HNNXBMFYSA-N 1 0 339.461 1.614 50 0 EDAARO COc1ccc(O[C@@H](C)C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000022934954 202095864 /nfs/dbraw/zinc/09/58/64/202095864.db2.gz COCOSXQQQRITIT-HNNXBMFYSA-N 1 0 335.448 1.216 50 0 EDAARO CC(C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)[NH+](C)C ZINC000025451370 202132323 /nfs/dbraw/zinc/13/23/23/202132323.db2.gz HOXKBVGGQDJEQU-OAHLLOKOSA-N 1 0 330.432 1.558 50 0 EDAARO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826444 202136514 /nfs/dbraw/zinc/13/65/14/202136514.db2.gz HGKYWPAMBOVVGS-HNNXBMFYSA-N 1 0 345.443 1.128 50 0 EDAARO CCn1c(SCC(=O)NC2CC[NH+](CC)CC2)nnc1C1CC1 ZINC000027787550 202160277 /nfs/dbraw/zinc/16/02/77/202160277.db2.gz RYCYCOJRVZZDCY-UHFFFAOYSA-N 1 0 337.493 1.868 50 0 EDAARO CC(C)[NH+](CCNC(=O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000027457096 202154563 /nfs/dbraw/zinc/15/45/63/202154563.db2.gz ZBHYHKAPAXPHFK-UHFFFAOYSA-N 1 0 326.462 1.939 50 0 EDAARO CCCn1nc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1=O ZINC000027591205 202157219 /nfs/dbraw/zinc/15/72/19/202157219.db2.gz SKUQTFADOCCJDD-MRXNPFEDSA-N 1 0 346.406 1.825 50 0 EDAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 ZINC000030665724 202198035 /nfs/dbraw/zinc/19/80/35/202198035.db2.gz HRYYMEINVCLAHW-MJGOQNOKSA-N 1 0 347.459 1.472 50 0 EDAARO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000032072996 202220205 /nfs/dbraw/zinc/22/02/05/202220205.db2.gz WACFZWWFFYBJHV-ZDUSSCGKSA-N 1 0 342.461 1.790 50 0 EDAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CN1C(C)C ZINC000032558304 202227682 /nfs/dbraw/zinc/22/76/82/202227682.db2.gz JSNWUTKYTUFBPF-IRXDYDNUSA-N 1 0 337.439 1.529 50 0 EDAARO O=C(NCCc1ccc(F)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000032754922 202232487 /nfs/dbraw/zinc/23/24/87/202232487.db2.gz VGPXDSOGVLVDQK-UHFFFAOYSA-N 1 0 348.466 1.791 50 0 EDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sccc1-n1cnnn1 ZINC000069597495 202287572 /nfs/dbraw/zinc/28/75/72/202287572.db2.gz ZAFKBROBAOBESS-NEPJUHHUSA-N 1 0 332.433 1.423 50 0 EDAARO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)ccc1-n1cnnn1 ZINC000069655267 202288829 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C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN1c1ncccn1)c1cccs1 ZINC000072273052 216097410 /nfs/dbraw/zinc/09/74/10/216097410.db2.gz HWNLUCYJJPTYBD-ZIAGYGMSSA-N 1 0 345.472 1.926 50 0 EDAARO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000073932758 202367366 /nfs/dbraw/zinc/36/73/66/202367366.db2.gz KTZBHLTWYXTKKQ-RBUKOAKNSA-N 1 0 345.487 1.715 50 0 EDAARO Cc1nc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)oc1C ZINC000073026586 202368960 /nfs/dbraw/zinc/36/89/60/202368960.db2.gz IXHAPHVZAJHZFP-UHFFFAOYSA-N 1 0 343.431 1.515 50 0 EDAARO O=C(C[NH2+]C[C@H]1CCCN1c1cccnn1)NCc1ccccc1F ZINC000071859869 202355600 /nfs/dbraw/zinc/35/56/00/202355600.db2.gz QZDQOOCMZQKXAI-OAHLLOKOSA-N 1 0 343.406 1.491 50 0 EDAARO O=C(C[NH2+]C[C@H]1CCCN1c1cccnn1)NC(C1CC1)C1CC1 ZINC000071859892 202355634 /nfs/dbraw/zinc/35/56/34/202355634.db2.gz SRBHZMCRFGEXRO-OAHLLOKOSA-N 1 0 329.448 1.340 50 0 EDAARO O=C(C[N@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1)NC1CCCC1 ZINC000075928332 202379939 /nfs/dbraw/zinc/37/99/39/202379939.db2.gz MDGBSRMNUWRVKB-LLVKDONJSA-N 1 0 335.370 1.436 50 0 EDAARO C[C@H]1CN(C(=O)CCN2c3ccccc3CCC2=O)C[C@@H]1[NH+](C)C ZINC000076050747 202384758 /nfs/dbraw/zinc/38/47/58/202384758.db2.gz PXLKVFROMBMIFW-YOEHRIQHSA-N 1 0 329.444 1.764 50 0 EDAARO Nc1nc2c(c(N[C@H](Cn3cccn3)c3ccccc3)n1)CC[NH2+]CC2 ZINC000072457094 216242132 /nfs/dbraw/zinc/24/21/32/216242132.db2.gz FWUOUYUBKYYLAJ-QGZVFWFLSA-N 1 0 349.442 1.797 50 0 EDAARO Cc1ccc(C)c([C@@H](O)C[N@H+]2CCC[C@@H](N(C)S(C)(=O)=O)C2)c1 ZINC000221808887 201032955 /nfs/dbraw/zinc/03/29/55/201032955.db2.gz HAQYTPOMKDWXQU-WBVHZDCISA-N 1 0 340.489 1.693 50 0 EDAARO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000229265275 201041420 /nfs/dbraw/zinc/04/14/20/201041420.db2.gz BJNJIFXTXJMZPY-GHMZBOCLSA-N 1 0 341.814 1.633 50 0 EDAARO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000229265316 201041534 /nfs/dbraw/zinc/04/15/34/201041534.db2.gz AYOIBLXNTXNMHT-GXTWGEPZSA-N 1 0 329.400 1.759 50 0 EDAARO 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1.234 50 0 EDAARO CCC[NH+]1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000022798752 441286124 /nfs/dbraw/zinc/28/61/24/441286124.db2.gz LRYOXFKUCFDJQF-UHFFFAOYSA-N 1 0 346.475 1.489 50 0 EDAARO CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c(C)n1 ZINC000082106604 441333425 /nfs/dbraw/zinc/33/34/25/441333425.db2.gz KKUIJPHBKRZJIO-IBGZPJMESA-N 1 0 348.491 1.798 50 0 EDAARO CN(CC(=O)NCc1cc2n(n1)CCC[NH2+]C2)Cc1ccc(F)cc1 ZINC000082120168 441334769 /nfs/dbraw/zinc/33/47/69/441334769.db2.gz IAEJRZCXBMZQNH-UHFFFAOYSA-N 1 0 345.422 1.264 50 0 EDAARO COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000063710793 441346279 /nfs/dbraw/zinc/34/62/79/441346279.db2.gz FDRYAZYAVKHDGB-CABCVRRESA-N 1 0 327.469 1.994 50 0 EDAARO Cc1cnc(CN(C)[C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)o1 ZINC000084258946 441390490 /nfs/dbraw/zinc/39/04/90/441390490.db2.gz HWSRXTRYNPMLJY-MRXNPFEDSA-N 1 0 328.416 1.788 50 0 EDAARO Nc1nnc(CCCNC(=O)CC[NH+]2CCCCCCC2)s1 ZINC000063835045 441357368 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LWQPISQYLKPZIL-MRXNPFEDSA-N 1 0 338.473 1.566 50 0 EDAARO Cc1nnnn1-c1cccc(-c2nc(CC3CC[NH+](C)CC3)no2)c1 ZINC000067856542 215233356 /nfs/dbraw/zinc/23/33/56/215233356.db2.gz XPCHNNWIMUUDPI-UHFFFAOYSA-N 1 0 339.403 1.905 50 0 EDAARO COc1ccccc1Oc1ncccc1CNC(=O)[C@@H]([NH3+])[C@@H](C)O ZINC000067868385 215235127 /nfs/dbraw/zinc/23/51/27/215235127.db2.gz OKZVNPAPFOJSQR-ABAIWWIYSA-N 1 0 331.372 1.207 50 0 EDAARO CC[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000067886008 215240189 /nfs/dbraw/zinc/24/01/89/215240189.db2.gz XLXNMKVXJBTJAP-LBPRGKRZSA-N 1 0 348.900 1.782 50 0 EDAARO CC(=O)c1cccc(OCc2cc(C(=O)NC[C@H]3CC[NH2+]C3)no2)c1 ZINC000067947711 215255959 /nfs/dbraw/zinc/25/59/59/215255959.db2.gz JRWKFAUGXAKQAG-ZDUSSCGKSA-N 1 0 343.383 1.796 50 0 EDAARO Cc1cccc2[nH]c(COCC(=O)NC[C@H]3CCC[N@@H+](C)C3)nc21 ZINC000067921162 215251271 /nfs/dbraw/zinc/25/12/71/215251271.db2.gz JDPBQVFPZKQTEE-CQSZACIVSA-N 1 0 330.432 1.846 50 0 EDAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)CCn1ccnn1 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O[C@]1(CN2CCN(c3ccc(F)c(Cl)c3)CC2)CCC[NH2+]C1 ZINC000072411754 216204447 /nfs/dbraw/zinc/20/44/47/216204447.db2.gz ARGBLIMKTVPUJY-MRXNPFEDSA-N 1 0 327.831 1.716 50 0 EDAARO CN1C[C@H](O)[C@@H]([NH+]2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)C1 ZINC000072421539 216210513 /nfs/dbraw/zinc/21/05/13/216210513.db2.gz ZPOOYKDXFZAMBH-PMACEKPBSA-N 1 0 340.471 1.855 50 0 EDAARO CCOCc1nc2c(c(N[C@@H](C)Cc3cc(C)[nH]n3)n1)CC[NH2+]CC2 ZINC000072427221 216217933 /nfs/dbraw/zinc/21/79/33/216217933.db2.gz QPRQDNAXQRZKKY-LBPRGKRZSA-N 1 0 344.463 1.776 50 0 EDAARO Cc1ccc2nsnc2c1NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072440286 216234259 /nfs/dbraw/zinc/23/42/59/216234259.db2.gz WCVWJFCGIDVCRH-UHFFFAOYSA-N 1 0 342.428 1.871 50 0 EDAARO Cc1nc(CNc2nc(-c3ccccn3)nc3c2CC[NH2+]CC3)no1 ZINC000072457325 216243053 /nfs/dbraw/zinc/24/30/53/216243053.db2.gz OIWOGBPGANTQMO-UHFFFAOYSA-N 1 0 337.387 1.530 50 0 EDAARO CCOCc1nc2c(c(N(C)CCn3ccnc3C)n1)CC[NH2+]CC2 ZINC000072475503 216253026 /nfs/dbraw/zinc/25/30/26/216253026.db2.gz IABIMLHPPQLZMG-UHFFFAOYSA-N 1 0 344.463 1.343 50 0 EDAARO C[C@H]1OCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000190241771 238324752 /nfs/dbraw/zinc/32/47/52/238324752.db2.gz HPKQRXVQRDFIJA-TZMCWYRMSA-N 1 0 332.491 1.619 50 0 EDAARO CCN(C1CC[NH+](Cc2ccccc2N(C)C)CC1)S(C)(=O)=O ZINC000072630046 216284717 /nfs/dbraw/zinc/28/47/17/216284717.db2.gz TVVVBYGZUNKCNA-UHFFFAOYSA-N 1 0 339.505 1.999 50 0 EDAARO CCOC(=O)N[C@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC000072877592 216324379 /nfs/dbraw/zinc/32/43/79/216324379.db2.gz METXJAPJGNAKQS-AWEZNQCLSA-N 1 0 331.376 1.977 50 0 EDAARO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccccc1 ZINC000058162356 541316466 /nfs/dbraw/zinc/31/64/66/541316466.db2.gz RBPQKTVIWRPCBS-ZDUSSCGKSA-N 1 0 347.440 1.129 50 0 EDAARO O=C(Cc1c[nH]c2ccccc12)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022934450 212338445 /nfs/dbraw/zinc/33/84/45/212338445.db2.gz WFUJYVGCRXCNCW-UHFFFAOYSA-N 1 0 340.471 1.950 50 0 EDAARO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(CCO)CC2)CC(C)(C)C1 ZINC000022588967 212308724 /nfs/dbraw/zinc/30/87/24/212308724.db2.gz QNIXPBLAMUCLDU-ZACQAIPSSA-N 1 0 328.497 1.189 50 0 EDAARO Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1O ZINC000215071915 241104789 /nfs/dbraw/zinc/10/47/89/241104789.db2.gz MNVRLKQLEJITHU-MRXNPFEDSA-N 1 0 331.460 1.800 50 0 EDAARO C[NH+]1CCN(Cc2ccccc2OCCCN2CCOCC2)CC1 ZINC000215169196 241112203 /nfs/dbraw/zinc/11/22/03/241112203.db2.gz KSXGOWBHIAGSHP-UHFFFAOYSA-N 1 0 333.476 1.535 50 0 EDAARO COc1cccc(F)c1C(=O)N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000216092605 241163044 /nfs/dbraw/zinc/16/30/44/241163044.db2.gz YIVFMSXOEIFKEO-UHFFFAOYSA-N 1 0 335.423 1.686 50 0 EDAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-n2cnnc2)c1 ZINC000215662739 241137946 /nfs/dbraw/zinc/13/79/46/241137946.db2.gz QIUNXLMRHIJSBX-KRWDZBQOSA-N 1 0 343.431 1.450 50 0 EDAARO Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000217730191 241272290 /nfs/dbraw/zinc/27/22/90/241272290.db2.gz VDZXCRDBHFOGQI-SFHVURJKSA-N 1 0 334.464 1.512 50 0 EDAARO C[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(=O)[nH]3)c(F)c2)CC1 ZINC000225791522 242038919 /nfs/dbraw/zinc/03/89/19/242038919.db2.gz CKUBHPZKQAOPTF-UHFFFAOYSA-N 1 0 344.390 1.514 50 0 EDAARO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000229518753 242172158 /nfs/dbraw/zinc/17/21/58/242172158.db2.gz AXCXQVNZGJKOKB-JKSUJKDBSA-N 1 0 347.459 1.418 50 0 EDAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](O)c1ccc(OC)cc1 ZINC000229653114 242186101 /nfs/dbraw/zinc/18/61/01/242186101.db2.gz GOXBTUBIRYWXPS-NVXWUHKLSA-N 1 0 335.448 1.902 50 0 EDAARO [NH3+][C@H]1C[C@@H](c2cc(NCCN3CCCCC3=O)nc(C3CC3)n2)C1 ZINC000244678680 243056931 /nfs/dbraw/zinc/05/69/31/243056931.db2.gz IIECYGXKASAEAF-OKILXGFUSA-N 1 0 329.448 1.983 50 0 EDAARO COc1ccc(C2(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)CC2)cc1 ZINC000244882807 243097950 /nfs/dbraw/zinc/09/79/50/243097950.db2.gz XZHJAQUTNUPNLN-MRXNPFEDSA-N 1 0 332.444 1.690 50 0 EDAARO CN1CCN(C(=O)CCc2cn(C[NH+](C)C)c3ccccc23)CC1 ZINC000020648103 212160347 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340.493 1.150 50 0 EDAARO Cc1ccc(Cl)cc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000010111567 211148991 /nfs/dbraw/zinc/14/89/91/211148991.db2.gz GZLNLSDNEAZASF-UHFFFAOYSA-N 1 0 347.868 1.092 50 0 EDAARO COc1cc2c(cc1OC)CN(CCNC(=O)[C@H]1CCC[C@H]1[NH3+])CC2 ZINC000408525511 250303225 /nfs/dbraw/zinc/30/32/25/250303225.db2.gz MLVLZAJHQQECDJ-JKSUJKDBSA-N 1 0 347.459 1.306 50 0 EDAARO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000094870891 218270468 /nfs/dbraw/zinc/27/04/68/218270468.db2.gz QRQSJVZAULQKBR-MRVPVSSYSA-N 1 0 339.280 1.788 50 0 EDAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2CCOCc2ccccc2)C1 ZINC000095355176 218289116 /nfs/dbraw/zinc/28/91/16/218289116.db2.gz ZCDMQAILDXIRDO-RBUKOAKNSA-N 1 0 345.487 1.688 50 0 EDAARO O=C(CCNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CCCC1 ZINC000095367874 218300008 /nfs/dbraw/zinc/30/00/08/218300008.db2.gz GRSABJUSDWVBEX-QGZVFWFLSA-N 1 0 329.444 1.896 50 0 EDAARO CCN1CC[NH+](C[C@@H]2CN(c3ccc(Cl)cn3)C[C@@H]2CO)CC1 ZINC000095376258 218309342 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CC[NH+](CC)CCNC(=O)COc1cc(=O)n(C)c2ccccc12 ZINC000005066356 210381373 /nfs/dbraw/zinc/38/13/73/210381373.db2.gz UTDCLFHMAMOPNS-UHFFFAOYSA-N 1 0 331.416 1.375 50 0 EDAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)C1 ZINC000153520634 224116661 /nfs/dbraw/zinc/11/66/61/224116661.db2.gz FFRBTAGIALTNAR-QZTJIDSGSA-N 1 0 343.471 1.808 50 0 EDAARO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H](CO)c1ccccc1 ZINC000097233044 219001121 /nfs/dbraw/zinc/00/11/21/219001121.db2.gz KCLLTEBBXKKKPB-QGZVFWFLSA-N 1 0 332.444 1.871 50 0 EDAARO COc1ccc(NC(=O)CC[NH+]2CCC(n3ccnn3)CC2)cc1 ZINC000097371888 219016326 /nfs/dbraw/zinc/01/63/26/219016326.db2.gz KFLZRGZVFYOQED-UHFFFAOYSA-N 1 0 329.404 1.952 50 0 EDAARO Cc1nn(C)c2nc(N3CCC([NH+]4CCC(O)CC4)CC3)sc12 ZINC000097475121 219028389 /nfs/dbraw/zinc/02/83/89/219028389.db2.gz LZFNJSBTMMQSQC-UHFFFAOYSA-N 1 0 335.477 1.764 50 0 EDAARO Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCOC2)n(-c2ccccc2C)n1 ZINC000097601133 219040164 /nfs/dbraw/zinc/04/01/64/219040164.db2.gz 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50 0 EDAARO COc1ccc([C@H]2[C@@H](C(=O)N3CCC(C[NH3+])CC3)CC(=O)N2C)cc1 ZINC000237378756 295251470 /nfs/dbraw/zinc/25/14/70/295251470.db2.gz VEIBJZZUVRVYIR-WMZOPIPTSA-N 1 0 345.443 1.412 50 0 EDAARO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000078446805 297226944 /nfs/dbraw/zinc/22/69/44/297226944.db2.gz VHURUBPHWJOVAV-ZIAGYGMSSA-N 1 0 345.509 1.183 50 0 EDAARO Cc1cnc([C@H](C)NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)s1 ZINC000249078847 302371455 /nfs/dbraw/zinc/37/14/55/302371455.db2.gz CAFCDNSRXXAEQJ-YPMHNXCESA-N 1 0 340.493 1.999 50 0 EDAARO CN1CCc2c3ccccc3n(C[C@@H](O)C[NH+]3CCCC3)c2C1=O ZINC000000202099 440806359 /nfs/dbraw/zinc/80/63/59/440806359.db2.gz NFZZSFGXDYIPHZ-AWEZNQCLSA-N 1 0 327.428 1.726 50 0 EDAARO COc1ccc(Nc2nc(NN)[nH+]c(OCC(F)(F)F)n2)cc1 ZINC000000032710 440793769 /nfs/dbraw/zinc/79/37/69/440793769.db2.gz LPORINAOIZTZEJ-UHFFFAOYSA-N 1 0 330.270 1.851 50 0 EDAARO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000044597775 440859642 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CC1CC[NH+](C[C@H](O)CN2CCN(c3nccs3)[C@@H](C)C2)CC1 ZINC000221741579 443072209 /nfs/dbraw/zinc/07/22/09/443072209.db2.gz OVIIRCVZMDBWLB-HOTGVXAUSA-N 1 0 338.521 1.746 50 0 EDAARO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc([S@@](C)=O)cc1 ZINC000221915536 443073277 /nfs/dbraw/zinc/07/32/77/443073277.db2.gz OMJYPDNAAWGBQH-ZAMGYDSWSA-N 1 0 338.473 1.341 50 0 EDAARO C[NH+](C)[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1CO ZINC000257176524 443117197 /nfs/dbraw/zinc/11/71/97/443117197.db2.gz ALNUMWMKBTVFNG-WCQYABFASA-N 1 0 332.322 1.580 50 0 EDAARO Cc1cc(NC(=O)CC[N@@H+]2CCN(Cc3nccn3C)[C@@H](C)C2)no1 ZINC000229367664 443127032 /nfs/dbraw/zinc/12/70/32/443127032.db2.gz YEJGPGHJNXTTLF-ZDUSSCGKSA-N 1 0 346.435 1.251 50 0 EDAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000229516408 443128350 /nfs/dbraw/zinc/12/83/50/443128350.db2.gz SXEBFMPVWZSEIN-RTBURBONSA-N 1 0 344.459 1.077 50 0 EDAARO Cc1ncsc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000237656508 443178878 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[NH3+][C@@H]1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1 ZINC000237981665 443191207 /nfs/dbraw/zinc/19/12/07/443191207.db2.gz PJQJVTMKZSQQOE-CQSZACIVSA-N 1 0 325.368 1.542 50 0 EDAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cnn(C(C)C)c1 ZINC000257366459 443159020 /nfs/dbraw/zinc/15/90/20/443159020.db2.gz ZMCJMYWBYXOSQJ-KBPBESRZSA-N 1 0 326.466 1.711 50 0 EDAARO Cc1noc(C)c1CNC(=O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000239539269 443199607 /nfs/dbraw/zinc/19/96/07/443199607.db2.gz AWAHWLVMBTZEKG-LBPRGKRZSA-N 1 0 336.436 1.288 50 0 EDAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000239672492 443200578 /nfs/dbraw/zinc/20/05/78/443200578.db2.gz BTIYHIDJSYFVGH-RTXFEEFZSA-N 1 0 347.381 1.386 50 0 EDAARO C[C@@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)[C@@H](c2ccccc2)CO1 ZINC000241170922 443206286 /nfs/dbraw/zinc/20/62/86/443206286.db2.gz KCVXFVSXSLJTPB-NVXWUHKLSA-N 1 0 338.473 1.874 50 0 EDAARO C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1cccs1 ZINC000241693975 443208891 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CCCCN1CCOC[C@@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000377304054 447052239 /nfs/dbraw/zinc/05/22/39/447052239.db2.gz MFDHNPRWQMNTPD-OAHLLOKOSA-N 1 0 325.497 1.913 50 0 EDAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCC1(Cn2ccnc2)CC1 ZINC000426503070 447458326 /nfs/dbraw/zinc/45/83/26/447458326.db2.gz RDLRUGMPYVEQKP-HNNXBMFYSA-N 1 0 342.447 1.143 50 0 EDAARO Cc1noc(C)c1CN1CC[C@@H]([NH2+]C2Cc3ccccc3C2)[C@H](O)C1 ZINC000426498354 447459407 /nfs/dbraw/zinc/45/94/07/447459407.db2.gz BAARXQYDCLXAKQ-WOJBJXKFSA-N 1 0 341.455 1.984 50 0 EDAARO O=C(Cn1ccccc1=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426510165 447461552 /nfs/dbraw/zinc/46/15/52/447461552.db2.gz PXHKUTZRAMYKHR-UHFFFAOYSA-N 1 0 339.439 1.844 50 0 EDAARO O=C(NCCOc1ccccc1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000426534469 447465481 /nfs/dbraw/zinc/46/54/81/447465481.db2.gz OGEBZLRAXASLDT-UHFFFAOYSA-N 1 0 347.459 1.698 50 0 EDAARO C[NH2+]Cc1nnc(SCc2cnc(C(F)(F)F)nc2C)n1C ZINC000426632869 447483042 /nfs/dbraw/zinc/48/30/42/447483042.db2.gz LEUVEXMNCHFPAG-UHFFFAOYSA-N 1 0 332.355 1.944 50 0 EDAARO C[C@H](Cc1cnccn1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426634152 447483204 /nfs/dbraw/zinc/48/32/04/447483204.db2.gz IIOXEJORPHEERQ-CQSZACIVSA-N 1 0 326.404 1.334 50 0 EDAARO CO[C@]12CC[N@H+](CCCn3nnnc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426649489 447486126 /nfs/dbraw/zinc/48/61/26/447486126.db2.gz DRNPSTNDYCLULP-OKZBNKHCSA-N 1 0 349.479 1.810 50 0 EDAARO Cc1nc(CCNC(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)sc1C ZINC000426573075 447474140 /nfs/dbraw/zinc/47/41/40/447474140.db2.gz KUUXOHCLUGLPLP-CQSZACIVSA-N 1 0 347.488 1.782 50 0 EDAARO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)OCO2 ZINC000575415683 447856982 /nfs/dbraw/zinc/85/69/82/447856982.db2.gz OAOKLYMDJWHMHB-OAHLLOKOSA-N 1 0 332.400 1.646 50 0 EDAARO Cc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCN(C)CC2)n1C(F)F ZINC000534670833 448464608 /nfs/dbraw/zinc/46/46/08/448464608.db2.gz ZENLZWZFLXLWFS-GFCCVEGCSA-N 1 0 328.407 1.947 50 0 EDAARO COCCCCN1CCN(C(=O)C[NH+]2CCCCCCC2)CC1 ZINC000584890411 448667148 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COC1CCN(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000657033299 453635378 /nfs/dbraw/zinc/63/53/78/453635378.db2.gz KZVFQNUJBUAGTF-CYBMUJFWSA-N 1 0 333.498 1.052 50 0 EDAARO COC1CCN(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000657033300 453635478 /nfs/dbraw/zinc/63/54/78/453635478.db2.gz KZVFQNUJBUAGTF-ZDUSSCGKSA-N 1 0 333.498 1.052 50 0 EDAARO CO[C@](C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccccc1F ZINC000585086025 486035191 /nfs/dbraw/zinc/03/51/91/486035191.db2.gz VUUGFDZOOVBKNL-GLJUWKHASA-N 1 0 336.407 1.355 50 0 EDAARO NC(=O)c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000348992404 486042026 /nfs/dbraw/zinc/04/20/26/486042026.db2.gz PBQCQIHEHLTTSM-CHWSQXEVSA-N 1 0 347.415 1.862 50 0 EDAARO CC[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@H]1[NH+](C)C ZINC000084735566 486281393 /nfs/dbraw/zinc/28/13/93/486281393.db2.gz DXBATAHXZSJPSN-WCQYABFASA-N 1 0 328.434 1.236 50 0 EDAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000084736375 486283112 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ZINC000657933318 452620214 /nfs/dbraw/zinc/62/02/14/452620214.db2.gz SVNOTWOLCUQYQN-VXGBXAGGSA-N 1 0 331.459 1.184 50 0 EDAARO CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653161500 453354599 /nfs/dbraw/zinc/35/45/99/453354599.db2.gz QGFXGUMATHTNGO-BZUAXINKSA-N 1 0 329.448 1.040 50 0 EDAARO NC(=O)C1(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCOCC1 ZINC000086250475 485577757 /nfs/dbraw/zinc/57/77/57/485577757.db2.gz AFKZDJUNEBZNSJ-UHFFFAOYSA-N 1 0 332.379 1.383 50 0 EDAARO CCN1CC[NH+](CCCCNC(=O)N2CCSC(C)(C)C2)CC1 ZINC000083646170 486122012 /nfs/dbraw/zinc/12/20/12/486122012.db2.gz XZHFQDTZVQIZKF-UHFFFAOYSA-N 1 0 342.553 1.941 50 0 EDAARO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000083847920 486233366 /nfs/dbraw/zinc/23/33/66/486233366.db2.gz YXMXDGNFZFMMSH-KBPBESRZSA-N 1 0 330.432 1.848 50 0 EDAARO CCOCCN1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000164469673 528734852 /nfs/dbraw/zinc/73/48/52/528734852.db2.gz ONEKXLDLVWTHHP-UHFFFAOYSA-N 1 0 345.487 1.489 50 0 EDAARO CC1(C)C[C@@H](C[NH+]2CCN(c3ncnc4nc[nH]c43)CC2)CCO1 ZINC000216044761 535363363 /nfs/dbraw/zinc/36/33/63/535363363.db2.gz CYXNUAHNHJJBBC-ZDUSSCGKSA-N 1 0 330.436 1.680 50 0 EDAARO O=C1NC2(CC[NH+](Cc3ccccn3)CC2)N2C[C@@H]3CCC[C@H]3[C@H]12 ZINC000888093438 591023191 /nfs/dbraw/zinc/02/31/91/591023191.db2.gz NSMZTNFACLATRE-USXIJHARSA-N 1 0 326.444 1.604 50 0 EDAARO Cc1c(N)nc(-c2ccccn2)nc1N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000888095166 591025142 /nfs/dbraw/zinc/02/51/42/591025142.db2.gz LAEKANIREPJQPB-STQMWFEESA-N 1 0 342.447 1.321 50 0 EDAARO [NH3+][C@H](CO)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000888096585 591027442 /nfs/dbraw/zinc/02/74/42/591027442.db2.gz LHKPWKZOKZVWEG-VXGBXAGGSA-N 1 0 335.404 1.762 50 0 EDAARO O=C(NCC[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1ccccc1F ZINC000864086972 596752303 /nfs/dbraw/zinc/75/23/03/596752303.db2.gz MQVRRZJVTAQPCK-LSDHHAIUSA-N 1 0 340.370 1.779 50 0 EDAARO O=C(CN1CCC(O)CC1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012029972 710308125 /nfs/dbraw/zinc/30/81/25/710308125.db2.gz FPDLHRUBRMEAEC-INIZCTEOSA-N 1 0 337.508 1.747 50 0 EDAARO COCCN1CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000051281776 214086174 /nfs/dbraw/zinc/08/61/74/214086174.db2.gz KPWYTUMIBFMLIK-QGZVFWFLSA-N 1 0 346.475 1.278 50 0 EDAARO CCC[NH+]1CCC(NC(=O)CCNC(=O)c2ccc(F)cc2)CC1 ZINC000052985323 214158682 /nfs/dbraw/zinc/15/86/82/214158682.db2.gz FGIQURHDPCPBSI-UHFFFAOYSA-N 1 0 335.423 1.936 50 0 EDAARO Cn1ccnc1CN1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000053212652 214169615 /nfs/dbraw/zinc/16/96/15/214169615.db2.gz UKQFGKYVNFHHOA-UHFFFAOYSA-N 1 0 333.480 1.234 50 0 EDAARO C[C@H](C(=O)NCCCC[NH+]1CCOCC1)n1cnc2ccccc21 ZINC000053450151 214183915 /nfs/dbraw/zinc/18/39/15/214183915.db2.gz FAICGCHTQNKKIM-OAHLLOKOSA-N 1 0 330.432 1.826 50 0 EDAARO CC(=O)N1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000053721370 214195554 /nfs/dbraw/zinc/19/55/54/214195554.db2.gz LFYCZMITAMTECW-IBGZPJMESA-N 1 0 343.471 1.979 50 0 EDAARO CCO[C@H]1COC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)c(CC)o1 ZINC000055053408 214267876 /nfs/dbraw/zinc/26/78/76/214267876.db2.gz USHXUXPXCJQLRE-YOEHRIQHSA-N 1 0 336.432 1.972 50 0 EDAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCc1cnn(C)c1 ZINC000097772930 219056090 /nfs/dbraw/zinc/05/60/90/219056090.db2.gz FCNPXLPXUHDFFK-OAHLLOKOSA-N 1 0 326.444 1.916 50 0 EDAARO C[N@H+](CCOc1cccc(F)c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000098016344 219069641 /nfs/dbraw/zinc/06/96/41/219069641.db2.gz KWTRBUGTSCUDQG-QGZVFWFLSA-N 1 0 336.407 1.916 50 0 EDAARO c1cn(CC2=CSC3=NCCN23)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000101137028 219116890 /nfs/dbraw/zinc/11/68/90/219116890.db2.gz QBTMQIPSPHERJU-UHFFFAOYSA-N 1 0 341.444 1.500 50 0 EDAARO NC(=O)c1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)s1 ZINC000348992410 539391905 /nfs/dbraw/zinc/39/19/05/539391905.db2.gz PBQCQIHEHLTTSM-STQMWFEESA-N 1 0 347.415 1.862 50 0 EDAARO C[NH+](C)C1(CNc2c(=O)c(=O)c2NCc2ccccn2)CCCC1 ZINC000101690296 219157157 /nfs/dbraw/zinc/15/71/57/219157157.db2.gz 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ZINC000067473079 215151007 /nfs/dbraw/zinc/15/10/07/215151007.db2.gz BLPKMEPSGFNOGF-ZDUSSCGKSA-N 1 0 344.415 1.152 50 0 EDAARO Cn1ccnc1-c1ccc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)nn1 ZINC000067587641 215165088 /nfs/dbraw/zinc/16/50/88/215165088.db2.gz LPZKWEWOYNNCEN-GFCCVEGCSA-N 1 0 325.347 1.945 50 0 EDAARO COC(=O)CCCn1nc(C2CC[NH2+]CC2)n(-c2ccccc2)c1=O ZINC000067603520 215168113 /nfs/dbraw/zinc/16/81/13/215168113.db2.gz SANPJBMDDMLNFZ-UHFFFAOYSA-N 1 0 344.415 1.454 50 0 EDAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccccc1Cn1cccn1 ZINC000067642085 215172698 /nfs/dbraw/zinc/17/26/98/215172698.db2.gz HMVUJBHAHLZBAX-ROUUACIJSA-N 1 0 341.459 1.358 50 0 EDAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccco2)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000067690818 215186588 /nfs/dbraw/zinc/18/65/88/215186588.db2.gz SESNZAWOTWVRSO-LBPRGKRZSA-N 1 0 340.383 1.701 50 0 EDAARO Cc1ccc2oc(=O)n(CC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC000067786735 215212178 /nfs/dbraw/zinc/21/21/78/215212178.db2.gz FJKMHHDHLUUIFV-SFHVURJKSA-N 1 0 329.400 1.505 50 0 EDAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccn1-c1ccccn1 ZINC000067822108 215222766 /nfs/dbraw/zinc/22/27/66/215222766.db2.gz ZCFLHLKVLBGANN-ZBFHGGJFSA-N 1 0 327.432 1.299 50 0 EDAARO COc1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc2c1OCCO2 ZINC000042209467 213485473 /nfs/dbraw/zinc/48/54/73/213485473.db2.gz OAFGPESRNPKPAA-UHFFFAOYSA-N 1 0 346.427 1.957 50 0 EDAARO Cc1cccc2[nH]c(COCC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)nc21 ZINC000067909978 215248005 /nfs/dbraw/zinc/24/80/05/215248005.db2.gz LIVSYYYTOSKFJT-IBGZPJMESA-N 1 0 342.443 1.990 50 0 EDAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C(C)(C)Oc1ccc(C)cc1 ZINC000067908914 215248400 /nfs/dbraw/zinc/24/84/00/215248400.db2.gz GUUABWDPYPUKAH-ZFWWWQNUSA-N 1 0 333.432 1.217 50 0 EDAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000067909729 215248907 /nfs/dbraw/zinc/24/89/07/215248907.db2.gz VTEYBDAMEPXFRC-CQSZACIVSA-N 1 0 338.473 1.798 50 0 EDAARO CCc1c(C)cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(=O)n1C ZINC000067956469 215261131 /nfs/dbraw/zinc/26/11/31/215261131.db2.gz ZRJWFFIWYKEATP-HNNXBMFYSA-N 1 0 333.476 1.964 50 0 EDAARO C[C@H]1CCC[N@H+](CCNC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000040534287 213339236 /nfs/dbraw/zinc/33/92/36/213339236.db2.gz LGNNMBONTUWJLB-AWEZNQCLSA-N 1 0 343.431 1.030 50 0 EDAARO C[NH+](C)[C@@]1(C(=O)NCc2nc(C3CC3)no2)CCc2ccccc21 ZINC000069416944 215405296 /nfs/dbraw/zinc/40/52/96/215405296.db2.gz KBYHAKQKQXCBBQ-SFHVURJKSA-N 1 0 326.400 1.967 50 0 EDAARO Cc1nc(C(=O)NC[C@@H]2CC[C@H](C)[N@H+]2C)nn1-c1ccc(F)cc1 ZINC000585083242 539955982 /nfs/dbraw/zinc/95/59/82/539955982.db2.gz FRHUMNNIKMRKPA-NHYWBVRUSA-N 1 0 331.395 1.927 50 0 EDAARO CCCNC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035485345 213032833 /nfs/dbraw/zinc/03/28/33/213032833.db2.gz OCHZGWPBWXSQMD-KRWDZBQOSA-N 1 0 329.444 1.466 50 0 EDAARO COCCCn1cnnc1CNC(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072153705 216041728 /nfs/dbraw/zinc/04/17/28/216041728.db2.gz WZGZKPMUAOANCK-CQSZACIVSA-N 1 0 343.431 1.322 50 0 EDAARO Cc1ccsc1S(=O)(=O)N1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072162223 216049738 /nfs/dbraw/zinc/04/97/38/216049738.db2.gz XCFLMPPXCPHSAW-CQSZACIVSA-N 1 0 332.491 1.524 50 0 EDAARO CCCc1nc2c(cnn2C)c(N[C@H]2COC[C@@H]2[NH+]2CCCCC2)n1 ZINC000072156557 216045941 /nfs/dbraw/zinc/04/59/41/216045941.db2.gz BWPFCXOSEIWIHL-GJZGRUSLSA-N 1 0 344.463 1.981 50 0 EDAARO O=C(C[C@@H]1COCC[NH2+]1)NCC1(c2cccc(F)c2)CCOCC1 ZINC000072166295 216056028 /nfs/dbraw/zinc/05/60/28/216056028.db2.gz NVQCJOZQSTZPMT-MRXNPFEDSA-N 1 0 336.407 1.369 50 0 EDAARO O[C@H]1CCCN(Cc2cc3n(n2)CC[N@H+](CCCn2cccc2)C3)C1 ZINC000072172524 216063058 /nfs/dbraw/zinc/06/30/58/216063058.db2.gz DXYPARZKTSDVSS-IBGZPJMESA-N 1 0 343.475 1.547 50 0 EDAARO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000072274221 216097982 /nfs/dbraw/zinc/09/79/82/216097982.db2.gz WQPOJZCJQVWCTA-INIZCTEOSA-N 1 0 331.464 1.786 50 0 EDAARO O=C(C1CC1)N1CCC(CNc2ncnc3c2CC[NH2+]CC3)CC1 ZINC000072423562 216212816 /nfs/dbraw/zinc/21/28/16/216212816.db2.gz 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ZINC000426490592 281031765 /nfs/dbraw/zinc/03/17/65/281031765.db2.gz RZUDGLWOCGXWCQ-LBPRGKRZSA-N 1 0 325.796 1.028 50 0 EDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000242292522 293005679 /nfs/dbraw/zinc/00/56/79/293005679.db2.gz YMXFBRRWPSWUGT-YLFCFFPRSA-N 1 0 334.464 1.901 50 0 EDAARO [NH3+][C@H]1CN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1C1CC1 ZINC000091845686 303490296 /nfs/dbraw/zinc/49/02/96/303490296.db2.gz FBDNTNXGXBSBLT-SJORKVTESA-N 1 0 342.443 1.130 50 0 EDAARO COc1ccc([C@@H]2NC(=[NH2+])NC(=N)N2c2ccccc2OC)cc1 ZINC000000250046 440809797 /nfs/dbraw/zinc/80/97/97/440809797.db2.gz PUONBOPCCZYLPL-OAHLLOKOSA-N 1 0 325.372 1.852 50 0 EDAARO COc1cc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)cc(OC)c1 ZINC000000256812 440809813 /nfs/dbraw/zinc/80/98/13/440809813.db2.gz JQKQEEVBGGDHNJ-UHFFFAOYSA-N 1 0 335.404 1.230 50 0 EDAARO CCCn1nc(C(=O)N2CCC([NH+](C)C)CC2)c2ccccc2c1=O ZINC000044934957 440913514 /nfs/dbraw/zinc/91/35/14/440913514.db2.gz UVJDSISKQIPVMY-UHFFFAOYSA-N 1 0 342.443 1.973 50 0 EDAARO C[NH+](C)C1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000044935002 440913522 /nfs/dbraw/zinc/91/35/22/440913522.db2.gz OGLUPEWHTLELQX-UHFFFAOYSA-N 1 0 336.417 1.117 50 0 EDAARO CCOc1ncccc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000044911314 440909011 /nfs/dbraw/zinc/90/90/11/440909011.db2.gz HMZWQUNFMFBFFK-HNNXBMFYSA-N 1 0 333.432 1.807 50 0 EDAARO COc1cc2[nH]c(C(=O)NCCC[NH+](C)C)cc2c(OC)c1OC ZINC000005324081 440948904 /nfs/dbraw/zinc/94/89/04/440948904.db2.gz WOYMHXREQQDBRQ-UHFFFAOYSA-N 1 0 335.404 1.875 50 0 EDAARO Cc1csc(=O)n1CC[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000044949084 440920404 /nfs/dbraw/zinc/92/04/04/440920404.db2.gz CXHIEKJXDMFCBO-HUUCEWRRSA-N 1 0 326.462 1.878 50 0 EDAARO Cc1cc(CN2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)on1 ZINC000045410291 440981942 /nfs/dbraw/zinc/98/19/42/440981942.db2.gz IJPUBBFGIUZCJU-UHFFFAOYSA-N 1 0 347.463 1.437 50 0 EDAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)N1CCc2sccc2C1 ZINC000426407673 447436706 /nfs/dbraw/zinc/43/67/06/447436706.db2.gz PHJPNXKAVJMNLZ-ZDUSSCGKSA-N 1 0 330.457 1.997 50 0 EDAARO NS(=O)(=O)c1ccc(NC(=O)C[NH2+]Cc2cccs2)cc1 ZINC000006528242 440996356 /nfs/dbraw/zinc/99/63/56/440996356.db2.gz VGEXNESFYDJFHF-UHFFFAOYSA-N 1 0 325.415 1.124 50 0 EDAARO CCC[NH2+]Cc1cc(OC)c(OCC(N)=O)cc1Br ZINC000006701819 441009323 /nfs/dbraw/zinc/00/93/23/441009323.db2.gz XQECLCJHULMIGY-UHFFFAOYSA-N 1 0 331.210 1.821 50 0 EDAARO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCOCC1 ZINC000045812393 441043897 /nfs/dbraw/zinc/04/38/97/441043897.db2.gz FIVNUWFUAJRZLF-UONOGXRCSA-N 1 0 345.443 1.933 50 0 EDAARO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000070040447 441107679 /nfs/dbraw/zinc/10/76/79/441107679.db2.gz UVBRKWWDIWIFAM-LSDHHAIUSA-N 1 0 326.437 1.289 50 0 EDAARO NS(=O)(=O)c1ccc(OCC[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000046092403 441081310 /nfs/dbraw/zinc/08/13/10/441081310.db2.gz FLFOPLQNLCLUHL-CYBMUJFWSA-N 1 0 340.445 1.214 50 0 EDAARO CC[NH+](CC)CCNC(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000046822951 441127338 /nfs/dbraw/zinc/12/73/38/441127338.db2.gz CULSHVZPTGRTMG-UHFFFAOYSA-N 1 0 332.448 1.392 50 0 EDAARO CN1CCC[C@@](O)(C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1=O ZINC000012704957 441139374 /nfs/dbraw/zinc/13/93/74/441139374.db2.gz NBJJPCVMNMDBNT-GOSISDBHSA-N 1 0 328.416 1.004 50 0 EDAARO O[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)CC[C@H]1N1CCOCC1 ZINC000012593345 441136602 /nfs/dbraw/zinc/13/66/02/441136602.db2.gz ALHOEUIYKDZPRK-RTBURBONSA-N 1 0 342.443 1.140 50 0 EDAARO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1nncn1C ZINC000046963869 441142172 /nfs/dbraw/zinc/14/21/72/441142172.db2.gz JRNLKFMKLWNVIV-HNNXBMFYSA-N 1 0 342.447 1.794 50 0 EDAARO O=C(N1CCC2(CC[NH2+]C[C@H]2CO)CC1)C1(c2ccccc2)CC1 ZINC000097733013 441144262 /nfs/dbraw/zinc/14/42/62/441144262.db2.gz DKNJGYJJGHCJHT-KRWDZBQOSA-N 1 0 328.456 1.929 50 0 EDAARO [NH3+]CCn1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)nn1 ZINC000071419154 441146914 /nfs/dbraw/zinc/14/69/14/441146914.db2.gz GBWBCCHTNJBCMG-OAHLLOKOSA-N 1 0 345.422 1.861 50 0 EDAARO COc1ccc(CC[NH+]2CCN(Cc3ccn(C)c(=O)c3)CC2)cc1 ZINC000071836940 441164956 /nfs/dbraw/zinc/16/49/56/441164956.db2.gz KCKPHXZBYYTFTO-UHFFFAOYSA-N 1 0 341.455 1.754 50 0 EDAARO COc1ccc2cc(C[NH2+]CC(=O)N3CCN(C)CC3)ccc2c1 ZINC000071837128 441165116 /nfs/dbraw/zinc/16/51/16/441165116.db2.gz JWVNYGXEKLLVKH-UHFFFAOYSA-N 1 0 327.428 1.712 50 0 EDAARO Cc1nn(C)c(Cl)c1C[NH2+]CCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000071837092 441165312 /nfs/dbraw/zinc/16/53/12/441165312.db2.gz PLFIMDBCZYZKFP-PHIMTYICSA-N 1 0 328.844 1.497 50 0 EDAARO Cn1c2ccccc2n(CCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1=O ZINC000071839872 441165859 /nfs/dbraw/zinc/16/58/59/441165859.db2.gz JNAWKXYYSWMCRJ-OAHLLOKOSA-N 1 0 342.443 1.427 50 0 EDAARO O=C(Cc1csc(N2CCCC2=O)n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839964 441167383 /nfs/dbraw/zinc/16/73/83/441167383.db2.gz XPGCVCHCUQMQNR-CQSZACIVSA-N 1 0 348.472 1.509 50 0 EDAARO CCCS(=O)(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000058282067 441171139 /nfs/dbraw/zinc/17/11/39/441171139.db2.gz OJZNIFGWHBKVSI-ZDUSSCGKSA-N 1 0 343.468 1.968 50 0 EDAARO CCn1ccnc1C[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000071870742 441177022 /nfs/dbraw/zinc/17/70/22/441177022.db2.gz ZOPQDUBAMUCIAY-AWEZNQCLSA-N 1 0 330.436 1.918 50 0 EDAARO COC(=O)c1ccc(N2CC[N@H+](CCN3CCOCC3)[C@H](C)C2)cc1 ZINC000071897013 441187746 /nfs/dbraw/zinc/18/77/46/441187746.db2.gz QLFXAXJNVFJORK-MRXNPFEDSA-N 1 0 347.459 1.316 50 0 EDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000058393341 441188916 /nfs/dbraw/zinc/18/89/16/441188916.db2.gz BUKWRNGBBUZSLQ-UHFFFAOYSA-N 1 0 342.491 1.944 50 0 EDAARO CC(C)C[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC000071681675 441148605 /nfs/dbraw/zinc/14/86/05/441148605.db2.gz VBNAXBDNTUUPET-GFCCVEGCSA-N 1 0 325.844 1.588 50 0 EDAARO COc1c(C[NH2+]C2CCN(Cc3ccccn3)CC2)c(C)nn1C ZINC000058393507 441189250 /nfs/dbraw/zinc/18/92/50/441189250.db2.gz NOJTYSMDPBHMJG-UHFFFAOYSA-N 1 0 329.448 1.886 50 0 EDAARO C[NH+]1CCN(c2ccccc2CNC(=O)N2CCSCC2)CC1 ZINC000071803483 441156926 /nfs/dbraw/zinc/15/69/26/441156926.db2.gz RQPUFYJKYOWNLN-UHFFFAOYSA-N 1 0 334.489 1.697 50 0 EDAARO CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000071803072 441157217 /nfs/dbraw/zinc/15/72/17/441157217.db2.gz MWXSCABZPAJMSZ-KRWDZBQOSA-N 1 0 337.439 1.345 50 0 EDAARO Cc1ccc(CNc2nn3c(nc(C[NH2+]C(C)C)cc3=O)[nH]2)cc1 ZINC000101795971 441161997 /nfs/dbraw/zinc/16/19/97/441161997.db2.gz JOYGXXLADRLZBJ-UHFFFAOYSA-N 1 0 326.404 1.836 50 0 EDAARO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3cn4ccsc4n3)CC2)CCO1 ZINC000071829434 441162855 /nfs/dbraw/zinc/16/28/55/441162855.db2.gz BKRQPKDHCCLASK-ZDUSSCGKSA-N 1 0 348.472 1.650 50 0 EDAARO COc1ccc(CCN2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000016741203 441232012 /nfs/dbraw/zinc/23/20/12/441232012.db2.gz DNEPWNBFUCYWGR-OLZOCXBDSA-N 1 0 326.443 1.387 50 0 EDAARO C[NH+]1CCC(N2CCOc3ccc(CN4CCOCC4)cc3C2)CC1 ZINC000014987915 441192942 /nfs/dbraw/zinc/19/29/42/441192942.db2.gz BEKKHYJDGBGYQW-UHFFFAOYSA-N 1 0 345.487 1.807 50 0 EDAARO Cc1nn(C)c(N2CCOCC2)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058421100 441194106 /nfs/dbraw/zinc/19/41/06/441194106.db2.gz YNMSWBZYQPXGMC-OAHLLOKOSA-N 1 0 333.480 1.139 50 0 EDAARO O=C(C[NH+]1CCCCC1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000015072627 441195027 /nfs/dbraw/zinc/19/50/27/441195027.db2.gz TVSZOBUQHXSHDP-INIZCTEOSA-N 1 0 333.407 1.529 50 0 EDAARO CC(C)C[C@H](C)N(C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000071920333 441197599 /nfs/dbraw/zinc/19/75/99/441197599.db2.gz STPJBWJVIDTWKU-GJZGRUSLSA-N 1 0 326.485 1.650 50 0 EDAARO CCc1noc(CCCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000072269529 441213342 /nfs/dbraw/zinc/21/33/42/441213342.db2.gz YLFYGODHHWYLFL-KBPBESRZSA-N 1 0 336.436 1.012 50 0 EDAARO CN(Cc1nnc2n1CCC2)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000048332452 441294875 /nfs/dbraw/zinc/29/48/75/441294875.db2.gz RQVZQASNCZFFCW-ZDUSSCGKSA-N 1 0 348.476 1.730 50 0 EDAARO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cccnc1-n1cccn1 ZINC000048196884 441270665 /nfs/dbraw/zinc/27/06/65/441270665.db2.gz NJUMSHALVWFBNH-AWEZNQCLSA-N 1 0 344.419 1.236 50 0 EDAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)nc1 ZINC000048248322 441277751 /nfs/dbraw/zinc/27/77/51/441277751.db2.gz GKNUWWANDXIVJZ-UHFFFAOYSA-N 1 0 330.432 1.275 50 0 EDAARO Cc1cc(C)n2nc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)nc2n1 ZINC000048271111 441282092 /nfs/dbraw/zinc/28/20/92/441282092.db2.gz LDWKYHBSYWNPQG-CHWSQXEVSA-N 1 0 344.463 1.839 50 0 EDAARO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC(C(N)=O)CC2)c1 ZINC000048291005 441287815 /nfs/dbraw/zinc/28/78/15/441287815.db2.gz TXGVQIDYPVLQJA-QGZVFWFLSA-N 1 0 329.444 1.856 50 0 EDAARO CCc1cc(N2CCC[C@@H](Cn3cc(CO)nn3)C2)nc(N(C)C)[nH+]1 ZINC000023159433 441291159 /nfs/dbraw/zinc/29/11/59/441291159.db2.gz CDFRREPVETUSQP-CYBMUJFWSA-N 1 0 345.451 1.105 50 0 EDAARO Cc1noc(C)c1CNC(=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000082092094 441331049 /nfs/dbraw/zinc/33/10/49/441331049.db2.gz RXUDRTMEZSVURI-ZDUSSCGKSA-N 1 0 332.408 1.345 50 0 EDAARO c1cnc(-c2noc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)n2)nc1 ZINC000082133840 441336477 /nfs/dbraw/zinc/33/64/77/441336477.db2.gz DTIKFBUWNROWJB-LBPRGKRZSA-N 1 0 331.376 1.344 50 0 EDAARO Cc1cccc(N2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)c1C ZINC000023625058 441297450 /nfs/dbraw/zinc/29/74/50/441297450.db2.gz BDRIATRVMGQYCC-RTBURBONSA-N 1 0 348.487 1.982 50 0 EDAARO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023624362 441297588 /nfs/dbraw/zinc/29/75/88/441297588.db2.gz VNJZFNLEGRFFSN-ROUUACIJSA-N 1 0 338.423 1.504 50 0 EDAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000063201881 441317687 /nfs/dbraw/zinc/31/76/87/441317687.db2.gz DMZCUBJSGMSGFN-UHFFFAOYSA-N 1 0 334.397 1.395 50 0 EDAARO CC[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC)CC1 ZINC000064467983 441379938 /nfs/dbraw/zinc/37/99/38/441379938.db2.gz HCJGUVQYIFHWNP-MRXNPFEDSA-N 1 0 333.432 1.554 50 0 EDAARO OC[C@@H]1CCCN1c1cc(NC[C@H](O)c2ccc(F)cc2)ncn1 ZINC000106905893 441386843 /nfs/dbraw/zinc/38/68/43/441386843.db2.gz ZPVVPVCIVVMTAR-GJZGRUSLSA-N 1 0 332.379 1.722 50 0 EDAARO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(F)cc3)o2)C[C@@H]1C ZINC000106906556 441387966 /nfs/dbraw/zinc/38/79/66/441387966.db2.gz HGCZKSVUDJNBOP-STQMWFEESA-N 1 0 334.395 1.763 50 0 EDAARO O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000106909619 441388658 /nfs/dbraw/zinc/38/86/58/441388658.db2.gz RGVASCYNOBNVGL-ZJPYXAASSA-N 1 0 332.419 1.987 50 0 EDAARO CC(C)c1nc(N2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)no1 ZINC000106965048 441395087 /nfs/dbraw/zinc/39/50/87/441395087.db2.gz FXWRFWAQMBXJEA-HNNXBMFYSA-N 1 0 337.468 1.160 50 0 EDAARO CCn1cc(NC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cn1 ZINC000063813444 441355664 /nfs/dbraw/zinc/35/56/64/441355664.db2.gz VRYYSXCOFMRUKE-HNNXBMFYSA-N 1 0 347.419 1.848 50 0 EDAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3c(Cl)cccc3C2)CC1=O ZINC000073891556 441366256 /nfs/dbraw/zinc/36/62/56/441366256.db2.gz GOUTWQVYXVDDDY-AWEZNQCLSA-N 1 0 349.862 1.635 50 0 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441434311 /nfs/dbraw/zinc/43/43/11/441434311.db2.gz QAZMPTHERQVBIA-UHFFFAOYSA-N 1 0 349.431 1.322 50 0 EDAARO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]c2c1C(=O)CCC2 ZINC000108071757 441435583 /nfs/dbraw/zinc/43/55/83/441435583.db2.gz SPJXWVGDSZNPKP-QWHCGFSZSA-N 1 0 331.416 1.435 50 0 EDAARO O=C(CCc1nc(-c2cccnc2)no1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065455484 441437168 /nfs/dbraw/zinc/43/71/68/441437168.db2.gz CJWQQNUJILUPRA-KGLIPLIRSA-N 1 0 327.388 1.417 50 0 EDAARO COc1cccc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)c1 ZINC000065491678 441444687 /nfs/dbraw/zinc/44/46/87/441444687.db2.gz BUJIFICYAGOSAS-UHFFFAOYSA-N 1 0 330.432 1.864 50 0 EDAARO Fc1cc(C[NH2+]CCc2nnc3n2CCC3)ccc1-n1cncn1 ZINC000065502716 441447402 /nfs/dbraw/zinc/44/74/02/441447402.db2.gz UMHWGXFULLIBRX-UHFFFAOYSA-N 1 0 327.367 1.276 50 0 EDAARO CCC[C@H](C)[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000030270388 441488298 /nfs/dbraw/zinc/48/82/98/441488298.db2.gz ITWUGBZUVRABQR-LBPRGKRZSA-N 1 0 339.461 1.344 50 0 EDAARO CC(=O)c1c(C)cc(C)c(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1C ZINC000075107699 441495007 /nfs/dbraw/zinc/49/50/07/441495007.db2.gz NUKHGFHGEDSFGC-SFHVURJKSA-N 1 0 348.487 1.939 50 0 EDAARO Cc1ccc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)c(=O)[nH]1 ZINC000075122133 441496971 /nfs/dbraw/zinc/49/69/71/441496971.db2.gz WWOCVKVTDVZVSO-UHFFFAOYSA-N 1 0 327.428 1.930 50 0 EDAARO Cc1cnn(CCCCC[NH+]2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000065541626 441455441 /nfs/dbraw/zinc/45/54/41/441455441.db2.gz SRFQOWIRMNLBDQ-UHFFFAOYSA-N 1 0 333.480 1.258 50 0 EDAARO CNC(=O)C1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000065568275 441461406 /nfs/dbraw/zinc/46/14/06/441461406.db2.gz JQLJJLYJDVOKRU-CQSZACIVSA-N 1 0 338.477 1.518 50 0 EDAARO C[C@@H]1CN(c2ccccc2C[NH2+]C2CCN(C(N)=O)CC2)C[C@@H](C)O1 ZINC000088722280 441517959 /nfs/dbraw/zinc/51/79/59/441517959.db2.gz NWLPQTAUJJMZRY-HUUCEWRRSA-N 1 0 346.475 1.933 50 0 EDAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cnn(C)c1 ZINC000110715298 441522833 /nfs/dbraw/zinc/52/28/33/441522833.db2.gz 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Cc1ccc2[nH]c(CCCNC(=O)[C@@H]3C[C@H]([NH3+])CN3C)nc2c1C ZINC000067642701 441662074 /nfs/dbraw/zinc/66/20/74/441662074.db2.gz AHCNIAWVCBLUAM-ZFWWWQNUSA-N 1 0 329.448 1.260 50 0 EDAARO CC(C)n1cccc1C(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077322297 441753915 /nfs/dbraw/zinc/75/39/15/441753915.db2.gz IOXJXWDNVJZTND-GOSISDBHSA-N 1 0 335.448 1.368 50 0 EDAARO CC[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)C1 ZINC000077341793 441759514 /nfs/dbraw/zinc/75/95/14/441759514.db2.gz WXBHOFUCPPKYJB-MRXNPFEDSA-N 1 0 345.443 1.321 50 0 EDAARO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000077372071 441765373 /nfs/dbraw/zinc/76/53/73/441765373.db2.gz PLNHLJNQAIXHAP-GOSISDBHSA-N 1 0 345.487 1.832 50 0 EDAARO COC[C@H](C)n1c(CCCC(=O)N2CC[NH2+]CC2)nc2cccnc21 ZINC000077378522 441767404 /nfs/dbraw/zinc/76/74/04/441767404.db2.gz WRVZCRJGBLFLBX-AWEZNQCLSA-N 1 0 345.447 1.393 50 0 EDAARO COCCN1C[C@]2(CCC[N@H+](Cc3cc(OC)ccn3)C2)CCC1=O ZINC000077425956 441779695 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CC(C)[N@H+](C)CCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000069517387 441960383 /nfs/dbraw/zinc/96/03/83/441960383.db2.gz NRZMCPOVCXDIQS-UHFFFAOYSA-N 1 0 330.432 1.702 50 0 EDAARO CC[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000095965772 441963614 /nfs/dbraw/zinc/96/36/14/441963614.db2.gz QFJRBDCTMYOXSE-WBVHZDCISA-N 1 0 332.448 1.976 50 0 EDAARO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1c[nH]nc1C ZINC000078898780 441990892 /nfs/dbraw/zinc/99/08/92/441990892.db2.gz QYZWFSZFHYGESF-HIFRSBDPSA-N 1 0 328.482 1.646 50 0 EDAARO CN1CCO[C@@H](C[NH2+]C[C@@](C)(O)c2cccc(C(F)(F)F)c2)C1 ZINC000069626546 441994499 /nfs/dbraw/zinc/99/44/99/441994499.db2.gz KGIOQDLYXYBXCV-LSDHHAIUSA-N 1 0 332.366 1.833 50 0 EDAARO C[C@@H](C(=O)NCC(F)(F)F)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000069627965 441996029 /nfs/dbraw/zinc/99/60/29/441996029.db2.gz MJRUIRGKTZXGOE-RYUDHWBXSA-N 1 0 339.402 1.078 50 0 EDAARO Cn1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(-c2ccncc2)n1 ZINC000069590310 441983273 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O=C(CNC(=O)C1CC1)N(CC[NH+]1CCCC1)Cc1ccccc1 ZINC000072277516 441217649 /nfs/dbraw/zinc/21/76/49/441217649.db2.gz KDGNBOPBNGTZCA-UHFFFAOYSA-N 1 0 329.444 1.637 50 0 EDAARO Cc1noc([C@H](C)[NH2+][C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)n1 ZINC000072300495 441227257 /nfs/dbraw/zinc/22/72/57/441227257.db2.gz AAKQFOXSRMUQQC-GVXVVHGQSA-N 1 0 330.454 1.477 50 0 EDAARO CCOc1ccc2[nH]c3c(ncnc3N3CC[NH+](CCO)CC3)c2c1 ZINC000020357489 441263152 /nfs/dbraw/zinc/26/31/52/441263152.db2.gz USJLXJZOCGTBDG-UHFFFAOYSA-N 1 0 341.415 1.624 50 0 EDAARO COCC[NH+]1CCN(c2cc(-c3ccccc3)nc3ncnn32)CC1 ZINC000022658295 441283540 /nfs/dbraw/zinc/28/35/40/441283540.db2.gz HOQGMBYKJZPBKJ-UHFFFAOYSA-N 1 0 338.415 1.560 50 0 EDAARO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000048290620 441287968 /nfs/dbraw/zinc/28/79/68/441287968.db2.gz LMMFGPRKQUHQKH-OAHLLOKOSA-N 1 0 333.480 1.924 50 0 EDAARO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000073644287 441337667 /nfs/dbraw/zinc/33/76/67/441337667.db2.gz 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ZINC000089404401 441546439 /nfs/dbraw/zinc/54/64/39/441546439.db2.gz AXZKDZNEDMCTBZ-CYBMUJFWSA-N 1 0 342.417 1.315 50 0 EDAARO C[C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@H]1[NH+](C)C ZINC000076050564 441586517 /nfs/dbraw/zinc/58/65/17/441586517.db2.gz UTERYKJRLYJIDK-CZUORRHYSA-N 1 0 328.416 1.195 50 0 EDAARO C[C@@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@H]1[NH+](C)C ZINC000076050464 441586692 /nfs/dbraw/zinc/58/66/92/441586692.db2.gz XHQVXYCJSUAABR-ZYHUDNBSSA-N 1 0 331.338 1.276 50 0 EDAARO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2C)CC1 ZINC000076055604 441588488 /nfs/dbraw/zinc/58/84/88/441588488.db2.gz ZOQHPCLSMIIJBF-ACJLOTCBSA-N 1 0 337.414 1.949 50 0 EDAARO CC[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(OCCOC)cc2)C1 ZINC000076058488 441589368 /nfs/dbraw/zinc/58/93/68/441589368.db2.gz DZUXRLHZUWUNHP-XJKSGUPXSA-N 1 0 342.461 1.330 50 0 EDAARO Cn1cccc1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000076092734 441596524 /nfs/dbraw/zinc/59/65/24/441596524.db2.gz 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ZINC000091563119 441712366 /nfs/dbraw/zinc/71/23/66/441712366.db2.gz CXIRGBOKSKQLTA-KRWDZBQOSA-N 1 0 343.471 1.803 50 0 EDAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]CCn1cccn1 ZINC000067691625 441668205 /nfs/dbraw/zinc/66/82/05/441668205.db2.gz YQKRUCYAASCTFU-LJQANCHMSA-N 1 0 342.443 1.069 50 0 EDAARO C[C@H](O)C[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077378889 441767477 /nfs/dbraw/zinc/76/74/77/441767477.db2.gz KUAMXIYLZKDCSG-HNNXBMFYSA-N 1 0 334.416 1.733 50 0 EDAARO CN(C)c1cccc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077425497 441778706 /nfs/dbraw/zinc/77/87/06/441778706.db2.gz SIKUOIKFZYXPHP-LJQANCHMSA-N 1 0 331.460 1.816 50 0 EDAARO Cc1ccc(Cl)c(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c1F ZINC000077425268 441779552 /nfs/dbraw/zinc/77/95/52/441779552.db2.gz XKCSJXKSYKDGGQ-UHFFFAOYSA-N 1 0 325.771 1.962 50 0 EDAARO Cc1nn2cc(CC[NH2+][C@H]3CCOC4(CCOCC4)C3)nc2s1 ZINC000077471280 441787468 /nfs/dbraw/zinc/78/74/68/441787468.db2.gz APJSNXOIZTYOQN-ZDUSSCGKSA-N 1 0 336.461 1.960 50 0 EDAARO 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C[NH+](C)CCn1ccnc1C1CCN(C(=O)Cc2ccccn2)CC1 ZINC000095522262 441947348 /nfs/dbraw/zinc/94/73/48/441947348.db2.gz PZWJLIIXQTUHQM-UHFFFAOYSA-N 1 0 341.459 1.788 50 0 EDAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000426434403 447443334 /nfs/dbraw/zinc/44/33/34/447443334.db2.gz BTJHJMBOCFQFFD-GJZGRUSLSA-N 1 0 345.399 1.001 50 0 EDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000069621882 441993084 /nfs/dbraw/zinc/99/30/84/441993084.db2.gz YPWVWRKUJRTMON-INIZCTEOSA-N 1 0 344.459 1.448 50 0 EDAARO C[NH+](C)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000078880855 441982255 /nfs/dbraw/zinc/98/22/55/441982255.db2.gz KESSETDEMGANFR-UONOGXRCSA-N 1 0 327.450 1.687 50 0 EDAARO CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)CCO1 ZINC000069698015 442012021 /nfs/dbraw/zinc/01/20/21/442012021.db2.gz SAYFQRGNGXBWSQ-DLBZAZTESA-N 1 0 349.479 1.244 50 0 EDAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(=O)n3c(C)csc3n1)CC2 ZINC000069697651 442012134 /nfs/dbraw/zinc/01/21/34/442012134.db2.gz NPUHASZMTQOEGY-NSHDSACASA-N 1 0 344.444 1.323 50 0 EDAARO CSc1ccccc1NC(=O)NCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000096135981 442042208 /nfs/dbraw/zinc/04/22/08/442042208.db2.gz PTMJGDZVNRAFHY-GFCCVEGCSA-N 1 0 336.461 1.727 50 0 EDAARO O=S(=O)(NCC[N@@H+]1CCC[C@@H]1Cn1cccn1)c1ccccc1 ZINC000069740143 442027086 /nfs/dbraw/zinc/02/70/86/442027086.db2.gz DQAAWVWFUGABPO-OAHLLOKOSA-N 1 0 334.445 1.326 50 0 EDAARO [NH3+]CCc1nnc(SC[C@H]2COCCO2)n1-c1ccccc1F ZINC000426443030 447445269 /nfs/dbraw/zinc/44/52/69/447445269.db2.gz QJYKMKNKNXOGRR-LLVKDONJSA-N 1 0 338.408 1.415 50 0 EDAARO CCCNC(=O)NC(=O)CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000069776353 442038054 /nfs/dbraw/zinc/03/80/54/442038054.db2.gz UQLZQZHKCZBTRQ-UHFFFAOYSA-N 1 0 346.475 1.819 50 0 EDAARO CN(CC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)cn1 ZINC000069780633 442040764 /nfs/dbraw/zinc/04/07/64/442040764.db2.gz DEGKUWOTXUSEMQ-UHFFFAOYSA-N 1 0 340.855 1.086 50 0 EDAARO O=C(NC[C@H](O)C[NH+]1CCCCCC1)Nc1ccc2c[nH]nc2c1 ZINC000096154054 442046889 /nfs/dbraw/zinc/04/68/89/442046889.db2.gz UTUBIGZICOAOHH-HNNXBMFYSA-N 1 0 331.420 1.921 50 0 EDAARO NC(=O)Cc1nc([C@H]2CC[NH2+]C2)n(Cc2c(F)cccc2Cl)n1 ZINC000096163179 442052757 /nfs/dbraw/zinc/05/27/57/442052757.db2.gz UULMVJJYRVCTQK-VIFPVBQESA-N 1 0 337.786 1.224 50 0 EDAARO COc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(F)c1 ZINC000096165791 442053285 /nfs/dbraw/zinc/05/32/85/442053285.db2.gz ZPYXKFNDGZNPIC-LBPRGKRZSA-N 1 0 325.384 1.803 50 0 EDAARO Cc1cc(NC(=O)CC[N@@H+](C)C[C@H]2CCCN2c2cccnn2)no1 ZINC000069872023 442062526 /nfs/dbraw/zinc/06/25/26/442062526.db2.gz WBOIQNNCICICGQ-CQSZACIVSA-N 1 0 344.419 1.702 50 0 EDAARO COc1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc2c1OCO2 ZINC000069874041 442063928 /nfs/dbraw/zinc/06/39/28/442063928.db2.gz BAGAMVIMAXENRD-CQSZACIVSA-N 1 0 342.399 1.973 50 0 EDAARO CC(C)(O)C[NH+]1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000069895032 442069223 /nfs/dbraw/zinc/06/92/23/442069223.db2.gz XEIJOHKFQHEPRR-UHFFFAOYSA-N 1 0 329.400 1.057 50 0 EDAARO C[C@H](CNS(=O)(=O)/C=C\c1ccccc1)CN1CC[NH+](C)CC1 ZINC000096297999 442111927 /nfs/dbraw/zinc/11/19/27/442111927.db2.gz VKAGKQHPCHBOFN-LPDYGMJQSA-N 1 0 337.489 1.460 50 0 EDAARO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnn(C)c1 ZINC000096410715 442116914 /nfs/dbraw/zinc/11/69/14/442116914.db2.gz GCNRJQDFUBFIKW-DOTOQJQBSA-N 1 0 348.495 1.339 50 0 EDAARO C[NH+](C)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000096420803 442121616 /nfs/dbraw/zinc/12/16/16/442121616.db2.gz VZCSZAQQYWSKBS-SFHVURJKSA-N 1 0 331.460 1.440 50 0 EDAARO COc1ccc2nc(C)cc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2c1 ZINC000096423697 442123853 /nfs/dbraw/zinc/12/38/53/442123853.db2.gz MFALTINTEVGMHQ-CQSZACIVSA-N 1 0 342.443 1.527 50 0 EDAARO CC(C)c1ccccc1NC(=O)N(C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000096424063 442124292 /nfs/dbraw/zinc/12/42/92/442124292.db2.gz CPDHKVJWVOUNDW-MRXNPFEDSA-N 1 0 348.491 1.882 50 0 EDAARO Cc1ccccc1O[C@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C 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Nc1nc2c(c(NCc3nccn3Cc3ccccc3)n1)CC[NH2+]CC2 ZINC000072421670 216209855 /nfs/dbraw/zinc/20/98/55/216209855.db2.gz OEIWIBGSJDGHHA-UHFFFAOYSA-N 1 0 349.442 1.604 50 0 EDAARO [NH3+]CCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072424648 216215369 /nfs/dbraw/zinc/21/53/69/216215369.db2.gz PTPFXUVJVYJVNL-IBGZPJMESA-N 1 0 344.459 1.552 50 0 EDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072430252 216222396 /nfs/dbraw/zinc/22/23/96/216222396.db2.gz HNBOROQEFNESLM-HXUWFJFHSA-N 1 0 348.487 1.919 50 0 EDAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000072436730 216232911 /nfs/dbraw/zinc/23/29/11/216232911.db2.gz YTZVGHYZNFEJLP-CQSZACIVSA-N 1 0 348.495 1.244 50 0 EDAARO COc1ccc(OC2CCN(C(=O)C[N@@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000072456993 216243007 /nfs/dbraw/zinc/24/30/07/216243007.db2.gz PUGOVZOVYUCPAW-HNNXBMFYSA-N 1 0 348.443 1.522 50 0 EDAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072481272 216262067 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Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1F ZINC000225506182 241903417 /nfs/dbraw/zinc/90/34/17/241903417.db2.gz OJNFLWZGUIODFX-ZBFHGGJFSA-N 1 0 347.434 1.855 50 0 EDAARO C[C@H](C(=O)NCc1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229501654 242168295 /nfs/dbraw/zinc/16/82/95/242168295.db2.gz DDBJKZKBLZGQCW-NVXWUHKLSA-N 1 0 328.416 1.289 50 0 EDAARO CCN(CCO)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000230214762 242252058 /nfs/dbraw/zinc/25/20/58/242252058.db2.gz CGZPTTRNMWPXEM-KZNAEPCWSA-N 1 0 331.460 1.921 50 0 EDAARO COc1cncc([C@H](Nc2nc(N)[nH+]c3c2CCC3)[C@H]2C[C@H](O)C2)c1 ZINC000244778687 243080196 /nfs/dbraw/zinc/08/01/96/243080196.db2.gz PUWWXPYSBCHUGD-NSODJVPESA-N 1 0 341.415 1.875 50 0 EDAARO Cc1nccn1CC1(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244874445 243095646 /nfs/dbraw/zinc/09/56/46/243095646.db2.gz XBJXHBMHXQTHLY-BETUJISGSA-N 1 0 327.436 1.661 50 0 EDAARO Cc1cccnc1CCNC(=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000077487933 216917520 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CC[NH+](CC)[C@H](CNc1ncccc1S(N)(=O)=O)c1ccco1 ZINC000079037673 217180045 /nfs/dbraw/zinc/18/00/45/217180045.db2.gz OGKJZCZNNQRKHV-GFCCVEGCSA-N 1 0 338.433 1.817 50 0 EDAARO CC[NH+]1CCN(CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000079335586 217210038 /nfs/dbraw/zinc/21/00/38/217210038.db2.gz UMXOGYJGNJXLLW-SFHVURJKSA-N 1 0 349.450 1.753 50 0 EDAARO Cc1cc(F)cc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000080762667 217331667 /nfs/dbraw/zinc/33/16/67/217331667.db2.gz PFISNGLEWUOUOE-AWEZNQCLSA-N 1 0 343.468 1.296 50 0 EDAARO O=C(c1cc2c(cc1Br)OCCO2)N1CC[NH2+]CC1 ZINC000041126599 284619743 /nfs/dbraw/zinc/61/97/43/284619743.db2.gz OFJKILVPVDWOFS-UHFFFAOYSA-N 1 0 327.178 1.266 50 0 EDAARO Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000012468250 211390635 /nfs/dbraw/zinc/39/06/35/211390635.db2.gz MXNIDPVIWIUGFJ-HNNXBMFYSA-N 1 0 333.480 1.151 50 0 EDAARO COC1CC[NH+](C[C@]2(O)CCCN(Cc3cccc(C)c3)C2=O)CC1 ZINC000012454478 211387029 /nfs/dbraw/zinc/38/70/29/211387029.db2.gz ITYMNVQTQCATET-HXUWFJFHSA-N 1 0 346.471 1.959 50 0 EDAARO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000089967751 217898833 /nfs/dbraw/zinc/89/88/33/217898833.db2.gz IUGFEPOKGMJMII-RHSMWYFYSA-N 1 0 337.468 1.407 50 0 EDAARO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000012198325 211319489 /nfs/dbraw/zinc/31/94/89/211319489.db2.gz LGPPTOPTJYTMLJ-LBPRGKRZSA-N 1 0 326.418 1.220 50 0 EDAARO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)[nH]c2n[nH]c(=O)c1-2 ZINC000091411248 218002197 /nfs/dbraw/zinc/00/21/97/218002197.db2.gz KSEQBVRLNXXCQF-OLZOCXBDSA-N 1 0 337.383 1.539 50 0 EDAARO Cc1nn(C)c(C)c1C[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091426851 218004189 /nfs/dbraw/zinc/00/41/89/218004189.db2.gz UMHNHMSVKZXOBS-UHFFFAOYSA-N 1 0 348.491 1.624 50 0 EDAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cn1nnc(-c3ccc(F)cc3)n1)C2 ZINC000091616745 218031637 /nfs/dbraw/zinc/03/16/37/218031637.db2.gz VYKDMOFQTDPSEY-IUODEOHRSA-N 1 0 344.394 1.032 50 0 EDAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000091574197 218023641 /nfs/dbraw/zinc/02/36/41/218023641.db2.gz QPXVLRRVJPQXDD-KRWDZBQOSA-N 1 0 330.407 1.900 50 0 EDAARO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(CC(=O)Nc1ccccc1)C2 ZINC000091616903 218031154 /nfs/dbraw/zinc/03/11/54/218031154.db2.gz DIAUDUMUZYDQFR-DOTOQJQBSA-N 1 0 344.459 1.110 50 0 EDAARO COc1ccc(F)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091645556 218038823 /nfs/dbraw/zinc/03/88/23/218038823.db2.gz AAHFDZFWVCOHET-ZIAGYGMSSA-N 1 0 336.407 1.611 50 0 EDAARO O=c1cc(C[N@@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)[nH]c2c(F)cccc12 ZINC000091651308 218040784 /nfs/dbraw/zinc/04/07/84/218040784.db2.gz PIMDDYKAUBHWKI-YNHQPCIGSA-N 1 0 332.375 1.231 50 0 EDAARO Cc1nc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)sc1C ZINC000091665372 218044851 /nfs/dbraw/zinc/04/48/51/218044851.db2.gz TUAKUPGSTMQBMJ-KGLIPLIRSA-N 1 0 326.462 1.484 50 0 EDAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1ccc2cccc(F)c2n1 ZINC000091935200 218090959 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Cc1[nH+]c(N)nc(N2CC[NH2+][C@H](c3ccccc3)C2)c1CCC(=O)[O-] ZINC000095370311 218303400 /nfs/dbraw/zinc/30/34/00/218303400.db2.gz WAWBAKRAVHIQJC-HNNXBMFYSA-N 1 0 341.415 1.535 50 0 EDAARO O=C(NCCNC(=O)[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1cccnc1 ZINC000095380151 218312533 /nfs/dbraw/zinc/31/25/33/218312533.db2.gz AIFGERMAAWWXJS-MRXNPFEDSA-N 1 0 344.459 1.582 50 0 EDAARO CCCn1ncc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CCOC)C2)c1C ZINC000095383624 218315658 /nfs/dbraw/zinc/31/56/58/218315658.db2.gz JVEBLNXUJHAPAW-HZPDHXFCSA-N 1 0 334.464 1.784 50 0 EDAARO C[NH+](C)C1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCC1 ZINC000095418273 218357279 /nfs/dbraw/zinc/35/72/79/218357279.db2.gz HVNGKBADJVNZOJ-MSOLQXFVSA-N 1 0 343.471 1.583 50 0 EDAARO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000095423620 218366178 /nfs/dbraw/zinc/36/61/78/218366178.db2.gz OFHVRCLNGQVSFD-BLLLJJGKSA-N 1 0 335.429 1.617 50 0 EDAARO C[C@@H]1CN(CC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[C@@H](C)O1 ZINC000097159992 218976739 /nfs/dbraw/zinc/97/67/39/218976739.db2.gz QLKVNKIDFWUBLG-HUUCEWRRSA-N 1 0 329.448 1.681 50 0 EDAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000097159496 218977284 /nfs/dbraw/zinc/97/72/84/218977284.db2.gz WHHQTGURASUZFH-GOEBONIOSA-N 1 0 336.480 1.534 50 0 EDAARO COCC[N@@H+]1CC[C@@H](C(=O)NCc2ccc(OC)c(F)c2F)C1 ZINC000097575144 219036036 /nfs/dbraw/zinc/03/60/36/219036036.db2.gz FYCFMKHNWPIVRL-GFCCVEGCSA-N 1 0 328.359 1.558 50 0 EDAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)c1cnc(-c2ccncc2)nc1 ZINC000097578835 219036085 /nfs/dbraw/zinc/03/60/85/219036085.db2.gz YYHBPDPWGBLLDU-UHFFFAOYSA-N 1 0 349.398 1.158 50 0 EDAARO COc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1N1CCNC1=O ZINC000153973964 224183776 /nfs/dbraw/zinc/18/37/76/224183776.db2.gz FGISOIOINQMIJG-RYUDHWBXSA-N 1 0 332.404 1.047 50 0 EDAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 ZINC000299740144 258009310 /nfs/dbraw/zinc/00/93/10/258009310.db2.gz WGPYWTYMNIGCBF-NWDGAFQWSA-N 1 0 337.370 1.386 50 0 EDAARO COc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)ccc1Br ZINC000123608339 258015277 /nfs/dbraw/zinc/01/52/77/258015277.db2.gz UQGOPTMBZVWWIG-QMMMGPOBSA-N 1 0 335.223 1.179 50 0 EDAARO Cc1ccc(N2CCCC2=O)cc1NC(=O)NC[C@@]1(O)CCC[NH2+]C1 ZINC000299771215 258083391 /nfs/dbraw/zinc/08/33/91/258083391.db2.gz ULJMTJNNIRDGQB-GOSISDBHSA-N 1 0 346.431 1.358 50 0 EDAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1cnc(-c2ccncc2)nc1 ZINC000299778529 258088539 /nfs/dbraw/zinc/08/85/39/258088539.db2.gz SBYRMYGXWDNMLW-HOTGVXAUSA-N 1 0 339.399 1.132 50 0 EDAARO CC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000299788038 258094151 /nfs/dbraw/zinc/09/41/51/258094151.db2.gz RACCXEXYWGKKTQ-SFHVURJKSA-N 1 0 345.399 1.616 50 0 EDAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1nc(Cc2ccccc2)no1 ZINC000299792301 258097628 /nfs/dbraw/zinc/09/76/28/258097628.db2.gz GVXSUUHFOPUWAM-CABCVRRESA-N 1 0 326.400 1.761 50 0 EDAARO C/C=C(\C)C[N@H+](C)CCn1cc(C(=O)NCc2ccncc2)nn1 ZINC000299795735 258100220 /nfs/dbraw/zinc/10/02/20/258100220.db2.gz NHJWEQVKYWXXOA-LNKIKWGQSA-N 1 0 328.420 1.501 50 0 EDAARO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1noc(C2CC2)n1 ZINC000299801433 258104349 /nfs/dbraw/zinc/10/43/49/258104349.db2.gz YEISSDXVBDJSPK-CQSZACIVSA-N 1 0 339.399 1.657 50 0 EDAARO COCC[NH+]1CCC(CN(C)C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000299755787 258074315 /nfs/dbraw/zinc/07/43/15/258074315.db2.gz CXRUGDUUYLUQJI-UHFFFAOYSA-N 1 0 335.448 1.124 50 0 EDAARO Cc1ccc(C[NH+]2CCC(CNC(=O)CCn3nnnc3C)CC2)o1 ZINC000299762962 258079428 /nfs/dbraw/zinc/07/94/28/258079428.db2.gz XIGBKBLXNFOSBA-UHFFFAOYSA-N 1 0 346.435 1.301 50 0 EDAARO Cc1nc2cc(CC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)ccc2[nH]1 ZINC000299768370 258082865 /nfs/dbraw/zinc/08/28/65/258082865.db2.gz IYURFIBNXKZVJI-MRXNPFEDSA-N 1 0 344.459 1.983 50 0 EDAARO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000274760429 268199406 /nfs/dbraw/zinc/19/94/06/268199406.db2.gz JXKCMXONQFMTCZ-RYUDHWBXSA-N 1 0 330.425 1.879 50 0 EDAARO Cc1nc2sc3c(c2c(N2CC[NH+](CCO)CC2)n1)CCCC3 ZINC000020320082 274854950 /nfs/dbraw/zinc/85/49/50/274854950.db2.gz SUCABWICLHXUCP-UHFFFAOYSA-N 1 0 332.473 1.993 50 0 EDAARO CC(C)(CN1CC[NH2+]CC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000019363266 275548492 /nfs/dbraw/zinc/54/84/92/275548492.db2.gz SCDAIUAKJXSYDU-UHFFFAOYSA-N 1 0 331.869 1.302 50 0 EDAARO C[NH2+]CCN(C)C(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000237309649 277269879 /nfs/dbraw/zinc/26/98/79/277269879.db2.gz RQMHQEAPGTYTJV-SNVBAGLBSA-N 1 0 330.354 1.587 50 0 EDAARO CC(C)[C@H]1C[C@@H](C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)CCO1 ZINC000067817754 277962884 /nfs/dbraw/zinc/96/28/84/277962884.db2.gz BSRFRJTXABPGBN-DLBZAZTESA-N 1 0 337.508 1.676 50 0 EDAARO CC[C@H]1CN([C@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1CCOC ZINC000106786701 281174961 /nfs/dbraw/zinc/17/49/61/281174961.db2.gz NHARBXOUIGYYGO-NEPJUHHUSA-N 1 0 325.375 1.096 50 0 EDAARO Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC(C)C)c1 ZINC000035421966 301942576 /nfs/dbraw/zinc/94/25/76/301942576.db2.gz MVIGLMUZHDPBOA-UHFFFAOYSA-N 1 0 331.460 1.915 50 0 EDAARO COc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000000146602 440801604 /nfs/dbraw/zinc/80/16/04/440801604.db2.gz ZHOKLZFHPAAPLQ-CQSZACIVSA-N 1 0 331.368 1.953 50 0 EDAARO COc1ccc(C[NH2+]CCSc2nnnn2C)c(OC)c1OC ZINC000002334734 440859803 /nfs/dbraw/zinc/85/98/03/440859803.db2.gz SETQCOHZFWGFLD-UHFFFAOYSA-N 1 0 339.421 1.118 50 0 EDAARO CC(=O)NC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000426387902 447432076 /nfs/dbraw/zinc/43/20/76/447432076.db2.gz QDNIEVJQQSPISB-QGZVFWFLSA-N 1 0 347.459 1.308 50 0 EDAARO C[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)[NH+]1CCCC1 ZINC000044934234 440913243 /nfs/dbraw/zinc/91/32/43/440913243.db2.gz ZHAGJFUAHOPKKD-AWEZNQCLSA-N 1 0 328.416 1.770 50 0 EDAARO Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044941802 440918238 /nfs/dbraw/zinc/91/82/38/440918238.db2.gz NGPLKHOEWNGHSI-HZPDHXFCSA-N 1 0 325.416 1.932 50 0 EDAARO C[N@H+](CCO)[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003180624 440890488 /nfs/dbraw/zinc/89/04/88/440890488.db2.gz OVKVLDCHODEXPC-SFHVURJKSA-N 1 0 348.468 1.804 50 0 EDAARO COc1ccccc1[C@@H](CNC(=O)Cn1cccn1)[NH+]1CCCC1 ZINC000044896909 440903475 /nfs/dbraw/zinc/90/34/75/440903475.db2.gz AXNALBQSGVITKI-MRXNPFEDSA-N 1 0 328.416 1.845 50 0 EDAARO Cc1ccn2cc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000044911296 440908576 /nfs/dbraw/zinc/90/85/76/440908576.db2.gz SQKXLPQWJOYTTO-INIZCTEOSA-N 1 0 342.443 1.970 50 0 EDAARO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000003886991 440909152 /nfs/dbraw/zinc/90/91/52/440909152.db2.gz FRIAPOXGQKDNEU-UHFFFAOYSA-N 1 0 326.466 1.051 50 0 EDAARO CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000426404416 447436185 /nfs/dbraw/zinc/43/61/85/447436185.db2.gz WETKBRBGNJRSBB-LJQANCHMSA-N 1 0 335.492 1.969 50 0 EDAARO CC(C)[NH+]1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 ZINC000045429497 440985005 /nfs/dbraw/zinc/98/50/05/440985005.db2.gz SIAZITBXJOVTBX-UHFFFAOYSA-N 1 0 336.461 1.365 50 0 EDAARO c1cc2c(ncnc2NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)s1 ZINC000045521764 440996219 /nfs/dbraw/zinc/99/62/19/440996219.db2.gz STXDHCUEEXRKSL-JSGCOSHPSA-N 1 0 334.445 1.841 50 0 EDAARO CCc1cc(=O)oc2cc(OCC(=O)NCCC[NH+](C)C)ccc12 ZINC000006658664 441005013 /nfs/dbraw/zinc/00/50/13/441005013.db2.gz GBFIVYWVVRMEPJ-UHFFFAOYSA-N 1 0 332.400 1.802 50 0 EDAARO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2cnn(C)c2)n1 ZINC000070003918 441102584 /nfs/dbraw/zinc/10/25/84/441102584.db2.gz FMYXJWOHAHWNKF-KRWDZBQOSA-N 1 0 344.463 1.356 50 0 EDAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000070905632 441126171 /nfs/dbraw/zinc/12/61/71/441126171.db2.gz NGRCTKIJQCLQDP-QGZVFWFLSA-N 1 0 331.460 1.883 50 0 EDAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCOCC2)nc1 ZINC000012574570 441136228 /nfs/dbraw/zinc/13/62/28/441136228.db2.gz FDHKLVWAPMWYSK-INIZCTEOSA-N 1 0 332.448 1.522 50 0 EDAARO C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H]2c2ccccc2)CC1=O ZINC000097463463 441138966 /nfs/dbraw/zinc/13/89/66/441138966.db2.gz CVKXWMBMWQIGGF-SJORKVTESA-N 1 0 329.444 1.760 50 0 EDAARO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1ccc(F)cc1 ZINC000012584624 441136841 /nfs/dbraw/zinc/13/68/41/441136841.db2.gz MQDWEBUCWJJAKX-MRXNPFEDSA-N 1 0 335.423 1.331 50 0 EDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000071144445 441141560 /nfs/dbraw/zinc/14/15/60/441141560.db2.gz AWKBWSKZHILIMX-JTQLQIEISA-N 1 0 333.251 1.679 50 0 EDAARO CCOCC(=O)N1CC[C@@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097942734 441147606 /nfs/dbraw/zinc/14/76/06/441147606.db2.gz GCLLBXQUTOWEJF-IEBWSBKVSA-N 1 0 332.444 1.607 50 0 EDAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CC[C@H](N(C)C(C)=O)C3)cc2c1 ZINC000071278736 441143501 /nfs/dbraw/zinc/14/35/01/441143501.db2.gz MODDGUAFMOAMKF-INIZCTEOSA-N 1 0 343.427 1.979 50 0 EDAARO Cc1nc(CN2C(=O)[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)oc1C ZINC000102048538 441165391 /nfs/dbraw/zinc/16/53/91/441165391.db2.gz HYUDLRPBVFLXEJ-HZPDHXFCSA-N 1 0 339.395 1.908 50 0 EDAARO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839807 441166248 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Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ZINC000069463885 441943468 /nfs/dbraw/zinc/94/34/68/441943468.db2.gz VJVWPNSVBZKZRN-GJZGRUSLSA-N 1 0 330.436 1.557 50 0 EDAARO CNc1cc(C)nc(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)n1 ZINC000095517081 441944325 /nfs/dbraw/zinc/94/43/25/441944325.db2.gz MLWKDSVPCWSWFD-INIZCTEOSA-N 1 0 327.432 1.510 50 0 EDAARO CC[NH+](CC)CCn1cc(NC(=O)c2cccc(C(=O)OC)n2)cn1 ZINC000069487147 441948707 /nfs/dbraw/zinc/94/87/07/441948707.db2.gz GVERUZANIPTOJC-UHFFFAOYSA-N 1 0 345.403 1.659 50 0 EDAARO COC(=O)C1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000095944612 441956414 /nfs/dbraw/zinc/95/64/14/441956414.db2.gz SBTARYSLYMIFJV-ZBFHGGJFSA-N 1 0 330.428 1.966 50 0 EDAARO Cc1noc(C)c1CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000095955865 441959248 /nfs/dbraw/zinc/95/92/48/441959248.db2.gz XFMZJMXVPJDESH-UHFFFAOYSA-N 1 0 343.431 1.297 50 0 EDAARO COCCOc1cc2c(cc1C[NH2+][C@@H]1CCc3ncnn3C1)OCO2 ZINC000069521153 441961948 /nfs/dbraw/zinc/96/19/48/441961948.db2.gz 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CCn1cnnc1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000089310146 441537166 /nfs/dbraw/zinc/53/71/66/441537166.db2.gz MLXKUYSTJPWNRX-CYBMUJFWSA-N 1 0 348.476 1.996 50 0 EDAARO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@](C)(CC(C)C)C(N)=O ZINC000075142031 441503031 /nfs/dbraw/zinc/50/30/31/441503031.db2.gz CBNHXSYYEGWJNP-IBGZPJMESA-N 1 0 347.459 1.854 50 0 EDAARO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000089496995 441556987 /nfs/dbraw/zinc/55/69/87/441556987.db2.gz PVGNCBBITGHJHV-RDBSUJKOSA-N 1 0 325.453 1.842 50 0 EDAARO Cc1ccnc2nc(C(=O)N3CCC[C@@H]([NH+]4CCCCCC4)C3)nn21 ZINC000089701921 441571701 /nfs/dbraw/zinc/57/17/01/441571701.db2.gz LOBJFNKTAOUTAG-OAHLLOKOSA-N 1 0 342.447 1.913 50 0 EDAARO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000089840187 441585464 /nfs/dbraw/zinc/58/54/64/441585464.db2.gz YMBJFYILYHYETA-HNNXBMFYSA-N 1 0 338.473 1.940 50 0 EDAARO COc1c(C)cnc(C[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c1C ZINC000076059155 441589313 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CC[NH+](CC)Cc1cnc2c(C(=O)NC[C@@H]3CCCO3)cnn2c1 ZINC000067641993 441661347 /nfs/dbraw/zinc/66/13/47/441661347.db2.gz JMWMIWZOFHEOFP-AWEZNQCLSA-N 1 0 331.420 1.480 50 0 EDAARO C[NH+]1CCN(CCNC(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000041908685 441682900 /nfs/dbraw/zinc/68/29/00/441682900.db2.gz OYDOKZRPNXJLML-UHFFFAOYSA-N 1 0 329.416 1.979 50 0 EDAARO C[N@H+](CCO)C[C@@H]1CN(Cc2c(Cl)cncc2Cl)C[C@@H]1CO ZINC000091305457 441694243 /nfs/dbraw/zinc/69/42/43/441694243.db2.gz GCAZLZRJVPDHGE-VXGBXAGGSA-N 1 0 348.274 1.353 50 0 EDAARO Cc1nccn1CCC[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091381240 441698896 /nfs/dbraw/zinc/69/88/96/441698896.db2.gz XQUMKZCHCTWDJS-UHFFFAOYSA-N 1 0 348.491 1.669 50 0 EDAARO CCOc1ncccc1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067982094 441704809 /nfs/dbraw/zinc/70/48/09/441704809.db2.gz TYNDDQAMUPWULI-UHFFFAOYSA-N 1 0 332.448 1.332 50 0 EDAARO COc1ccc(-c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)c(=O)[nH]2)cc1 ZINC000077287635 441747092 /nfs/dbraw/zinc/74/70/92/441747092.db2.gz 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ZINC000077556126 441804878 /nfs/dbraw/zinc/80/48/78/441804878.db2.gz LHRKQCKEWSIHKC-HNNXBMFYSA-N 1 0 342.447 1.486 50 0 EDAARO Cc1nc(C)c(C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000095431032 441926009 /nfs/dbraw/zinc/92/60/09/441926009.db2.gz IPCCKUFPCZAJTH-INIZCTEOSA-N 1 0 329.400 1.440 50 0 EDAARO C[C@H]([NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 ZINC000095984258 441970663 /nfs/dbraw/zinc/97/06/63/441970663.db2.gz MNEPQPNKIXEQNZ-WDEREUQCSA-N 1 0 346.399 1.166 50 0 EDAARO O=C(NC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1)c1ccc[nH]1 ZINC000095987338 441972370 /nfs/dbraw/zinc/97/23/70/441972370.db2.gz KEYTWSTUGGKGLJ-ROUUACIJSA-N 1 0 325.412 1.867 50 0 EDAARO Cc1cccn2cc(CC(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)nc12 ZINC000078789585 441972728 /nfs/dbraw/zinc/97/27/28/441972728.db2.gz LRTOHVYXSAHABR-IRXDYDNUSA-N 1 0 342.443 1.243 50 0 EDAARO CC1(C)CN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC[NH2+]1 ZINC000095990201 441973275 /nfs/dbraw/zinc/97/32/75/441973275.db2.gz JJOIJJCYEHQFQM-UHFFFAOYSA-N 1 0 337.786 1.884 50 0 EDAARO COc1ccccc1CC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000069559287 441973631 /nfs/dbraw/zinc/97/36/31/441973631.db2.gz YUABVHFQAISPOY-UHFFFAOYSA-N 1 0 332.444 1.809 50 0 EDAARO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000069417802 441930293 /nfs/dbraw/zinc/93/02/93/441930293.db2.gz KCHIHSHRWWLJJG-LLYBFZRZSA-N 1 0 333.457 1.702 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1nnc2ccccc2c1=O ZINC000095480643 441935883 /nfs/dbraw/zinc/93/58/83/441935883.db2.gz DEFCEWRZYIVYDY-CQSZACIVSA-N 1 0 343.431 1.172 50 0 EDAARO CC(C)[NH+]1CCC(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)CC1 ZINC000095501041 441939004 /nfs/dbraw/zinc/93/90/04/441939004.db2.gz SYYXQPOWLQXFJO-QGZVFWFLSA-N 1 0 334.464 1.621 50 0 EDAARO Cc1nc2c(c(=O)[nH]1)CN(C(=O)[C@@H]1CCC[N@H+](Cc3ccco3)C1)C2 ZINC000095500641 441939194 /nfs/dbraw/zinc/93/91/94/441939194.db2.gz XTBWWACHLVLUKV-CYBMUJFWSA-N 1 0 342.399 1.426 50 0 EDAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Cn3cncn3)CC2)cc1 ZINC000069453916 441941138 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C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000069585975 441982418 /nfs/dbraw/zinc/98/24/18/441982418.db2.gz HNFSDVPYGIHUSU-YCABEKBOSA-N 1 0 345.443 1.507 50 0 EDAARO CCn1cc(CN2CCCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)cn1 ZINC000069597443 441984439 /nfs/dbraw/zinc/98/44/39/441984439.db2.gz FTIVGPVDHWPIJB-GOSISDBHSA-N 1 0 347.507 1.812 50 0 EDAARO O=C(NC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CCOCC1 ZINC000069744329 442031426 /nfs/dbraw/zinc/03/14/26/442031426.db2.gz RINHHOOBDLKJOG-SFHVURJKSA-N 1 0 332.444 1.727 50 0 EDAARO COCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000069807734 442044680 /nfs/dbraw/zinc/04/46/80/442044680.db2.gz SECATYYNRCFZSK-UHFFFAOYSA-N 1 0 343.431 1.330 50 0 EDAARO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069815109 442049019 /nfs/dbraw/zinc/04/90/19/442049019.db2.gz ZHDUZKXPFWKGGB-UKRRQHHQSA-N 1 0 345.472 1.777 50 0 EDAARO O=C(C[NH2+][C@@H]1CCCN(c2cccnn2)C1)N1CCc2ccccc21 ZINC000069878104 442064907 /nfs/dbraw/zinc/06/49/07/442064907.db2.gz 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AHXRNELUZRTLIK-UHFFFAOYSA-N 1 0 327.432 1.942 50 0 EDAARO CC[NH+]1CCN(CCCNc2nn3nnnc3c3ccccc32)CC1 ZINC000020854528 212176799 /nfs/dbraw/zinc/17/67/99/212176799.db2.gz HSDGWZIEICCYHY-UHFFFAOYSA-N 1 0 340.435 1.112 50 0 EDAARO OCCN1CC[NH+](C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000019868394 212077438 /nfs/dbraw/zinc/07/74/38/212077438.db2.gz VYPLILTUXBXNJO-UHFFFAOYSA-N 1 0 337.895 1.914 50 0 EDAARO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229476555 139023789 /nfs/dbraw/zinc/02/37/89/139023789.db2.gz YDYDFPHFPUZCCV-UONOGXRCSA-N 1 0 333.461 1.757 50 0 EDAARO COCC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000078602835 217084140 /nfs/dbraw/zinc/08/41/40/217084140.db2.gz NRUMIQHBNNNPFI-OAHLLOKOSA-N 1 0 333.432 1.469 50 0 EDAARO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1(O)CCCCCC1 ZINC000078997789 217170182 /nfs/dbraw/zinc/17/01/82/217170182.db2.gz CFTWMKWBBOOGAB-MRXNPFEDSA-N 1 0 326.481 1.981 50 0 EDAARO O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 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50 0 EDAARO Cc1[nH]c2c(c1CC(=O)NC[C@@H]1C[NH2+]CCOC1)c(C)ccc2C ZINC000091551679 218021559 /nfs/dbraw/zinc/02/15/59/218021559.db2.gz CZMLMLHHLNRPSH-HNNXBMFYSA-N 1 0 329.444 1.988 50 0 EDAARO Cc1nn(C)c(C)c1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091563205 218022644 /nfs/dbraw/zinc/02/26/44/218022644.db2.gz KZJYDDDBBAIUDU-HZPDHXFCSA-N 1 0 334.464 1.203 50 0 EDAARO O=C(c1n[nH]c2c1CCC2)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091616863 218031584 /nfs/dbraw/zinc/03/15/84/218031584.db2.gz VDRWKKUIJABDDH-HUUCEWRRSA-N 1 0 346.475 1.455 50 0 EDAARO COCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cn1 ZINC000091616671 218031619 /nfs/dbraw/zinc/03/16/19/218031619.db2.gz YVPMIFCRKTYQSA-LJQANCHMSA-N 1 0 344.459 1.848 50 0 EDAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCOc2ccccc2Cl)C1 ZINC000091665590 218044480 /nfs/dbraw/zinc/04/44/80/218044480.db2.gz BVSQDBSJCYZTEY-GFCCVEGCSA-N 1 0 339.823 1.032 50 0 EDAARO Cc1ccc2nc(CN3CC[N@@H+](C)[C@]4(C3)CCNC(=O)CC4)cn2c1 ZINC000091846124 218076063 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COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3)cc1 ZINC000095352439 218287448 /nfs/dbraw/zinc/28/74/48/218287448.db2.gz RTKCAVNFXGYXCA-DLBZAZTESA-N 1 0 331.460 1.680 50 0 EDAARO COC[C@@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1ccnn1C ZINC000095360514 218292906 /nfs/dbraw/zinc/29/29/06/218292906.db2.gz COESMLSQIAXNIW-MRXNPFEDSA-N 1 0 346.431 1.729 50 0 EDAARO Cc1cc(NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)nc(N)[nH+]1 ZINC000095358660 218292147 /nfs/dbraw/zinc/29/21/47/218292147.db2.gz JRMVZYQQOYPPAA-UHFFFAOYSA-N 1 0 344.423 1.063 50 0 EDAARO CN(C)c1nc(N2CCC[N@H+](Cc3cccnc3)CC2)ncc1F ZINC000095361141 218294187 /nfs/dbraw/zinc/29/41/87/218294187.db2.gz SGSZGONIKGIZEG-UHFFFAOYSA-N 1 0 330.411 1.789 50 0 EDAARO O=C(NCCSc1nc[nH]n1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095374361 218308200 /nfs/dbraw/zinc/30/82/00/218308200.db2.gz VABWIWPRNQCJCQ-AWEZNQCLSA-N 1 0 331.445 1.794 50 0 EDAARO Cc1cc(N2C[C@H]3COc4ccccc4C[C@@]3(CO)C2)nc(N)[nH+]1 ZINC000095382226 218314451 /nfs/dbraw/zinc/31/44/51/218314451.db2.gz LXVYXQGXABVGHF-KSSFIOAISA-N 1 0 326.400 1.417 50 0 EDAARO CN1CCN(c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2F)CC1 ZINC000095397204 218328676 /nfs/dbraw/zinc/32/86/76/218328676.db2.gz QPPBABHCDLIJNO-OAHLLOKOSA-N 1 0 348.466 1.601 50 0 EDAARO Nc1nc(NCCc2noc([C@@H]3CCCO3)n2)c2c([nH+]1)CCCC2 ZINC000095392707 218324076 /nfs/dbraw/zinc/32/40/76/218324076.db2.gz VURLWDJMPKMHCQ-LBPRGKRZSA-N 1 0 330.392 1.827 50 0 EDAARO CC[N@@H+]1CC[C@H](N(C)CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000095399434 218333149 /nfs/dbraw/zinc/33/31/49/218333149.db2.gz RBIXAVWRVQCJCE-AWEZNQCLSA-N 1 0 326.462 1.495 50 0 EDAARO CC(C)[NH+]1CCC(C(=O)N2CCCO[C@H](Cn3cccn3)C2)CC1 ZINC000095501040 218415711 /nfs/dbraw/zinc/41/57/11/218415711.db2.gz SYYXQPOWLQXFJO-KRWDZBQOSA-N 1 0 334.464 1.621 50 0 EDAARO Cc1cc(C)c(N2C[C@@H](C(=O)N(C)[C@@H]3CC[NH2+]C3)CC2=O)c(C)c1 ZINC000179058656 291811465 /nfs/dbraw/zinc/81/14/65/291811465.db2.gz AMTXTJVXOUWHFA-JKSUJKDBSA-N 1 0 329.444 1.785 50 0 EDAARO O=S(=O)(NCC[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000252496847 285041423 /nfs/dbraw/zinc/04/14/23/285041423.db2.gz PSWOHUAIYUUVGD-INIZCTEOSA-N 1 0 338.473 1.904 50 0 EDAARO CCOc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OC ZINC000004993819 210353179 /nfs/dbraw/zinc/35/31/79/210353179.db2.gz HMHQDDYKHOHUDW-UHFFFAOYSA-N 1 0 337.449 1.889 50 0 EDAARO Cc1ccc(CN2CCN(CC(=O)NCC[NH+]3CCCC3)C2=O)cc1 ZINC000004930902 210327191 /nfs/dbraw/zinc/32/71/91/210327191.db2.gz KWSXYPAJHOQOAU-UHFFFAOYSA-N 1 0 344.459 1.445 50 0 EDAARO C[C@H](CCNC(=O)c1ccc2nccnc2c1)[NH+]1CCN(C)CC1 ZINC000097475014 219028726 /nfs/dbraw/zinc/02/87/26/219028726.db2.gz WDVGRVHKPAFUGB-CQSZACIVSA-N 1 0 327.432 1.386 50 0 EDAARO COc1ccc2c(c1)n(O)c(C1=N[C@H]3C=CC=C[C@@H]3S1)c(N)[n+]2=O ZINC000367889279 258003720 /nfs/dbraw/zinc/00/37/20/258003720.db2.gz IOKLLYXVFOMQIO-GWCFXTLKSA-N 1 0 343.388 1.741 50 0 EDAARO Cc1ccccc1N1CCC[N@H+](Cc2cc(=O)n3[nH]cnc3n2)CC1 ZINC000334159606 258004947 /nfs/dbraw/zinc/00/49/47/258004947.db2.gz MBOBWYLNSCWSDJ-UHFFFAOYSA-N 1 0 338.415 1.438 50 0 EDAARO C[N@@H+]1CCN2CCN(C(=O)Nc3ccc(Cl)c(F)c3)C[C@H]2C1 ZINC000299769008 258082965 /nfs/dbraw/zinc/08/29/65/258082965.db2.gz HVVLVGDGOZCBHU-GFCCVEGCSA-N 1 0 326.803 1.943 50 0 EDAARO COc1cccc(CN2C(=O)N[C@](C)(C3CC[NH2+]CC3)C2=O)c1OC ZINC000299777908 258087799 /nfs/dbraw/zinc/08/77/99/258087799.db2.gz OHLMQOPXFHRCND-GOSISDBHSA-N 1 0 347.415 1.514 50 0 EDAARO CCO[C@H]1COC[C@@H]1NC(=O)c1ccc(OCCC[NH3+])c(Cl)c1 ZINC000299785283 258092574 /nfs/dbraw/zinc/09/25/74/258092574.db2.gz ZPYQIBDRTKFHOM-ZFWWWQNUSA-N 1 0 342.823 1.601 50 0 EDAARO C[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3OC(F)F)C2)CC1 ZINC000299794621 258099074 /nfs/dbraw/zinc/09/90/74/258099074.db2.gz KRYLLEPUSYCRCU-ZDUSSCGKSA-N 1 0 339.386 1.750 50 0 EDAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)no1 ZINC000027036523 258057887 /nfs/dbraw/zinc/05/78/87/258057887.db2.gz JVQPLRVZVUEHJY-WDEREUQCSA-N 1 0 344.371 1.992 50 0 EDAARO CN(C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C1CCS(=O)(=O)CC1 ZINC000299758037 258076361 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C[C@H]([NH3+])[C@H]1CN(C(=O)Cc2cccc(Br)c2)CCO1 ZINC000122845430 222170160 /nfs/dbraw/zinc/17/01/60/222170160.db2.gz CJWPDONJMSEVHR-GXFFZTMASA-N 1 0 327.222 1.566 50 0 EDAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)no1 ZINC000008864202 278721015 /nfs/dbraw/zinc/72/10/15/278721015.db2.gz DMJIJHMLJWRGST-ZDUSSCGKSA-N 1 0 348.428 1.936 50 0 EDAARO [NH3+]C[C@H](NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000095432127 295264250 /nfs/dbraw/zinc/26/42/50/295264250.db2.gz BOXSCZQAFRTHEW-JTQLQIEISA-N 1 0 326.315 1.860 50 0 EDAARO C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1cccnc1 ZINC000237415324 298038863 /nfs/dbraw/zinc/03/88/63/298038863.db2.gz YMTWPWOAYKHQSG-UXLLHSPISA-N 1 0 344.459 1.292 50 0 EDAARO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 ZINC000017029020 302059585 /nfs/dbraw/zinc/05/95/85/302059585.db2.gz DHPOEPXCIQUBMS-FWXAJUPQSA-N 1 0 341.411 1.534 50 0 EDAARO CCS(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000000262546 440811164 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CSCCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000012749928 441141292 /nfs/dbraw/zinc/14/12/92/441141292.db2.gz YTZYGTZFZSYORV-HNNXBMFYSA-N 1 0 346.460 1.818 50 0 EDAARO C[C@@H](C(=O)N1CCNC1=O)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012777359 441142719 /nfs/dbraw/zinc/14/27/19/441142719.db2.gz NCOGEDUBTSWVKA-GXTWGEPZSA-N 1 0 345.399 1.535 50 0 EDAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000058393649 441190348 /nfs/dbraw/zinc/19/03/48/441190348.db2.gz XLIDIZVMEBEJLI-INIZCTEOSA-N 1 0 342.447 1.441 50 0 EDAARO Cc1ccccc1CNC(=O)C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000071859870 441172365 /nfs/dbraw/zinc/17/23/65/441172365.db2.gz CJOFALSPVUHRCU-KRWDZBQOSA-N 1 0 339.443 1.660 50 0 EDAARO CCN(CC(=O)NC(=O)NC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000058289829 441172972 /nfs/dbraw/zinc/17/29/72/441172972.db2.gz UYJHGQRMIRMHOU-GOEBONIOSA-N 1 0 332.448 1.599 50 0 EDAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)Nc1ccnn1C1CCCC1 ZINC000071871733 441177614 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CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCCCN1Cc1ccncc1 ZINC000071883696 441183910 /nfs/dbraw/zinc/18/39/10/441183910.db2.gz XJRHEDWNBPTBMT-SFHVURJKSA-N 1 0 330.476 1.990 50 0 EDAARO Cc1nonc1CN(C)c1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000071760837 441152855 /nfs/dbraw/zinc/15/28/55/441152855.db2.gz MSNBLCMYNQYEIH-UHFFFAOYSA-N 1 0 337.387 1.512 50 0 EDAARO CC(C)C[C@@H]1NC(=O)N(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000058137508 441152932 /nfs/dbraw/zinc/15/29/32/441152932.db2.gz JNOJPYYRWLTBEB-SJORKVTESA-N 1 0 345.443 1.372 50 0 EDAARO CC(C)C[C@H]1NC(=O)N(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000058137503 441153147 /nfs/dbraw/zinc/15/31/47/441153147.db2.gz JNOJPYYRWLTBEB-IAGOWNOFSA-N 1 0 345.443 1.372 50 0 EDAARO COc1ccc(COC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000013154996 441154924 /nfs/dbraw/zinc/15/49/24/441154924.db2.gz YCABBZUPELOSAW-OFQRWUPVSA-N 1 0 339.432 1.691 50 0 EDAARO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc3c(c2)OCO3)cn1 ZINC000071797115 441156462 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CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)Cn1ccnc1 ZINC000058412684 441192672 /nfs/dbraw/zinc/19/26/72/441192672.db2.gz JPAWZLZHNZHJGX-OAHLLOKOSA-N 1 0 346.479 1.755 50 0 EDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]CCNC(=O)Cc1ccc(F)cc1)CN2 ZINC000058433973 441194794 /nfs/dbraw/zinc/19/47/94/441194794.db2.gz UCIOPGRIQSSTFH-HNNXBMFYSA-N 1 0 345.422 1.321 50 0 EDAARO COCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000015073713 441195524 /nfs/dbraw/zinc/19/55/24/441195524.db2.gz BZBDPQPVBYOKHR-GOSISDBHSA-N 1 0 331.460 1.836 50 0 EDAARO C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000072254050 441210587 /nfs/dbraw/zinc/21/05/87/441210587.db2.gz RIMQWFGSNOPHFA-IAOVAPTHSA-N 1 0 342.867 1.699 50 0 EDAARO COCCOc1cccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000072269532 441213210 /nfs/dbraw/zinc/21/32/10/441213210.db2.gz XEYGCZKBVLNERA-MSOLQXFVSA-N 1 0 348.443 1.383 50 0 EDAARO NC(=O)[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 ZINC000072276656 441217924 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CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(OC)c(SC)cc1OC ZINC000082098295 441332315 /nfs/dbraw/zinc/33/23/15/441332315.db2.gz CCKSMTJAGBBNBT-NEPJUHHUSA-N 1 0 339.461 1.073 50 0 EDAARO c1ccc(CCN2CC[NH+]([C@H]3CCOC4(CCOCC4)C3)CC2)nc1 ZINC000082115063 441334632 /nfs/dbraw/zinc/33/46/32/441334632.db2.gz CPXHJDLHAXAWCY-IBGZPJMESA-N 1 0 345.487 1.970 50 0 EDAARO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023624365 441297212 /nfs/dbraw/zinc/29/72/12/441297212.db2.gz VNJZFNLEGRFFSN-QZTJIDSGSA-N 1 0 338.423 1.504 50 0 EDAARO COCCn1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccc1=O ZINC000106661741 441362899 /nfs/dbraw/zinc/36/28/99/441362899.db2.gz WOEOWNBNCJKJQO-JKSUJKDBSA-N 1 0 333.432 1.194 50 0 EDAARO CN1CCO[C@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000106666518 441363296 /nfs/dbraw/zinc/36/32/96/441363296.db2.gz COBDBPAQHWPDBO-ZIAGYGMSSA-N 1 0 334.338 1.539 50 0 EDAARO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)C2)nn1 ZINC000106774506 441369613 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1.609 50 0 EDAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000065329560 441418434 /nfs/dbraw/zinc/41/84/34/441418434.db2.gz LNVDFUZMEFLCFB-VXGBXAGGSA-N 1 0 346.431 1.828 50 0 EDAARO C[N@H+](CCC(=O)Nc1cccnc1)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000065382407 441422170 /nfs/dbraw/zinc/42/21/70/441422170.db2.gz QFBRGEMRLDVWIZ-AWEZNQCLSA-N 1 0 332.448 1.989 50 0 EDAARO Cc1cccc(-n2cc(CN3CCN4CC[N@@H+](C)C[C@@H]4C3)cn2)c1 ZINC000065393941 441424521 /nfs/dbraw/zinc/42/45/21/441424521.db2.gz NKSPHYXYIBCOTF-LJQANCHMSA-N 1 0 325.460 1.612 50 0 EDAARO C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CN1CCOCC1 ZINC000074371861 441428535 /nfs/dbraw/zinc/42/85/35/441428535.db2.gz TXEOJLGXDGAEGB-XYTVBORESA-N 1 0 338.496 1.269 50 0 EDAARO CC(=O)N1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000065415717 441430610 /nfs/dbraw/zinc/43/06/10/441430610.db2.gz BKNZKNNOYLGGGL-MRXNPFEDSA-N 1 0 348.447 1.727 50 0 EDAARO CCn1c(CC2CC[NH+](Cc3cccnc3NC)CC2)n[nH]c1=O ZINC000065428274 441431882 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C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NC[C@@]1(C)CCOC1 ZINC000864096531 596754263 /nfs/dbraw/zinc/75/42/63/596754263.db2.gz CZDJLQMKLHNVPD-NVXWUHKLSA-N 1 0 339.480 1.698 50 0 EDAARO C[C@H](O)CNC(=O)N[C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050135253 214046367 /nfs/dbraw/zinc/04/63/67/214046367.db2.gz MUABRXSOARIXMC-MAUKXSAKSA-N 1 0 348.491 1.434 50 0 EDAARO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000050246636 214052086 /nfs/dbraw/zinc/05/20/86/214052086.db2.gz GZYXFCJKSWBCST-MRVPVSSYSA-N 1 0 337.214 1.558 50 0 EDAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1cccc(-c2cn[nH]c2)c1 ZINC000097641945 219043049 /nfs/dbraw/zinc/04/30/49/219043049.db2.gz DEQVCDVETFLPGK-CQSZACIVSA-N 1 0 328.416 1.511 50 0 EDAARO NC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000052961161 214157409 /nfs/dbraw/zinc/15/74/09/214157409.db2.gz HXXJOMJPYOQUAT-LLVKDONJSA-N 1 0 345.321 1.009 50 0 EDAARO Cc1nc(SCC(=O)N(CC[NH+](C)C)Cc2ccccc2)n[nH]1 ZINC000055052819 214268285 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NC(=O)CCn1cc(C[NH2+]CCSc2nc[nH]n2)c2ccccc21 ZINC000067774356 215208787 /nfs/dbraw/zinc/20/87/87/215208787.db2.gz KKCISEDZMJJSQG-UHFFFAOYSA-N 1 0 344.444 1.517 50 0 EDAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]([NH3+])[C@@H](C)O ZINC000067788642 215213615 /nfs/dbraw/zinc/21/36/15/215213615.db2.gz FYSXSBBFPXHBNU-HIFRSBDPSA-N 1 0 329.400 1.815 50 0 EDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](C)c3ncc[nH]3)cnn2c1 ZINC000067785332 215212538 /nfs/dbraw/zinc/21/25/38/215212538.db2.gz NSKGYQONOWALJT-GFCCVEGCSA-N 1 0 341.419 1.785 50 0 EDAARO Cc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[N@@H+](C)C3)ccc12 ZINC000067818904 215221574 /nfs/dbraw/zinc/22/15/74/215221574.db2.gz MTKDGBPSNWPARO-CQSZACIVSA-N 1 0 344.411 1.857 50 0 EDAARO CCC[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000067842193 215227691 /nfs/dbraw/zinc/22/76/91/215227691.db2.gz JQSVZORESDQOSS-ZDUSSCGKSA-N 1 0 332.404 1.703 50 0 EDAARO COCCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH2+]CC2)C1=O ZINC000067878933 215238544 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C[C@@H]1CCC[N@H+](CCNC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000040534285 213339428 /nfs/dbraw/zinc/33/94/28/213339428.db2.gz LGNNMBONTUWJLB-CQSZACIVSA-N 1 0 343.431 1.030 50 0 EDAARO C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1)[NH+]1CCCC1 ZINC000040522497 213334222 /nfs/dbraw/zinc/33/42/22/213334222.db2.gz RWFLNWYKSPMGJO-GOEBONIOSA-N 1 0 328.420 1.057 50 0 EDAARO CCC[NH+]1CCN(c2ccccc2CN(C)Cc2nncn2C)CC1 ZINC000585084654 539956091 /nfs/dbraw/zinc/95/60/91/539956091.db2.gz FLRTZBYBCVRMHQ-UHFFFAOYSA-N 1 0 342.491 1.979 50 0 EDAARO CN(C)C(=O)C1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000040466150 213309408 /nfs/dbraw/zinc/30/94/08/213309408.db2.gz GGMGVTQPSMNISQ-UHFFFAOYSA-N 1 0 348.834 1.648 50 0 EDAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000039918303 213243867 /nfs/dbraw/zinc/24/38/67/213243867.db2.gz NHNKFEHEVSEMTI-AWEZNQCLSA-N 1 0 333.407 1.781 50 0 EDAARO COCCCC[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000069699262 215537356 /nfs/dbraw/zinc/53/73/56/215537356.db2.gz 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EDAARO O[C@@H](C[NH2+][C@@H]1CCCN(c2cccnn2)C1)COc1ccc(F)cc1 ZINC000071859689 441171592 /nfs/dbraw/zinc/17/15/92/441171592.db2.gz SPBSQVNPKRSHPE-CVEARBPZSA-N 1 0 346.406 1.614 50 0 EDAARO O=S(=O)(c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000014223609 441178699 /nfs/dbraw/zinc/17/86/99/441178699.db2.gz LXXOZIUJSDTOPH-GFCCVEGCSA-N 1 0 345.262 1.918 50 0 EDAARO C[NH+]1CCC(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000058342591 441182802 /nfs/dbraw/zinc/18/28/02/441182802.db2.gz YSYTYHVLERCMGL-UHFFFAOYSA-N 1 0 342.399 1.282 50 0 EDAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 ZINC000071883325 441183569 /nfs/dbraw/zinc/18/35/69/441183569.db2.gz BKIUEUIGYVKRNI-KRWDZBQOSA-N 1 0 331.460 1.674 50 0 EDAARO Cc1noc(C)c1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520787 441185814 /nfs/dbraw/zinc/18/58/14/441185814.db2.gz KUNWPZNGCUMEJZ-UHFFFAOYSA-N 1 0 329.404 1.619 50 0 EDAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)c1ccnc(-c2ccccc2)n1 ZINC000071894566 441187076 /nfs/dbraw/zinc/18/70/76/441187076.db2.gz LLWJZHJUJLRTGZ-KRWDZBQOSA-N 1 0 341.459 1.188 50 0 EDAARO CCCC(=O)NCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058391653 441189446 /nfs/dbraw/zinc/18/94/46/441189446.db2.gz BCEIJRCFJQJGNM-CQSZACIVSA-N 1 0 337.489 1.993 50 0 EDAARO CCOC(=O)c1ccc(NC(=O)C(=O)NCC[NH+](CC)CC)cc1 ZINC000071770765 441153481 /nfs/dbraw/zinc/15/34/81/441153481.db2.gz WAKRBYRCUBZVEB-UHFFFAOYSA-N 1 0 335.404 1.260 50 0 EDAARO COc1cccc(NC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)c1 ZINC000071897354 441189527 /nfs/dbraw/zinc/18/95/27/441189527.db2.gz BFNCRQWYNHIHNK-QGZVFWFLSA-N 1 0 330.432 1.829 50 0 EDAARO C[C@H](CNC(=O)Cc1ccc(-n2cnnn2)cc1)[NH+]1CCC(C)CC1 ZINC000058168611 441155611 /nfs/dbraw/zinc/15/56/11/441155611.db2.gz ASZGKLQGVWAERU-OAHLLOKOSA-N 1 0 342.447 1.441 50 0 EDAARO CC1CC[NH+](C[C@H](O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000071824993 441161238 /nfs/dbraw/zinc/16/12/38/441161238.db2.gz JGGCOKMXBWOQJC-LPHOPBHVSA-N 1 0 345.443 1.546 50 0 EDAARO CCc1nc2c(c(NCc3ccc(-n4cncn4)cc3)n1)CC[NH2+]CC2 ZINC000072457731 441232187 /nfs/dbraw/zinc/23/21/87/441232187.db2.gz XZKYWCVDEXRYDC-UHFFFAOYSA-N 1 0 349.442 1.920 50 0 EDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]CCNC(=O)c1ccccc1F ZINC000058405377 441192318 /nfs/dbraw/zinc/19/23/18/441192318.db2.gz IXXNTNFVOZCVTP-UHFFFAOYSA-N 1 0 333.411 1.453 50 0 EDAARO CC(=O)NCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000015062585 441194011 /nfs/dbraw/zinc/19/40/11/441194011.db2.gz AIJIQZHGWHVUIL-KRWDZBQOSA-N 1 0 349.450 1.675 50 0 EDAARO Cn1ncc2c1nc(C(C)(C)C)nc2NC[C@H](O)C[NH+]1CCCCC1 ZINC000072154947 441206314 /nfs/dbraw/zinc/20/63/14/441206314.db2.gz VRUPBWNGAKXFAJ-ZDUSSCGKSA-N 1 0 346.479 1.920 50 0 EDAARO Cc1nc2n(n1)C[C@@H]([NH2+]CC(=O)N1CCC(c3ccccc3)=N1)CC2 ZINC000072268023 441211587 /nfs/dbraw/zinc/21/15/87/441211587.db2.gz GIFDHYIIUMIUCY-HNNXBMFYSA-N 1 0 338.415 1.128 50 0 EDAARO NC(=O)CCNC(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000072271359 441214435 /nfs/dbraw/zinc/21/44/35/441214435.db2.gz DUDLERPCAHVTBS-UHFFFAOYSA-N 1 0 336.411 1.212 50 0 EDAARO CC(C)[C@](C)([NH3+])CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000072284400 441219910 /nfs/dbraw/zinc/21/99/10/441219910.db2.gz FKDAQSUIGYFGOB-CQSZACIVSA-N 1 0 348.490 1.279 50 0 EDAARO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000072301419 441228294 /nfs/dbraw/zinc/22/82/94/441228294.db2.gz PRSPTWZFSAWDCI-CYBMUJFWSA-N 1 0 341.415 1.185 50 0 EDAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cc(-n3cnnc3)ccc2F)C1 ZINC000426410485 447439053 /nfs/dbraw/zinc/43/90/53/447439053.db2.gz JPMVYKLOXBBYRK-ZDUSSCGKSA-N 1 0 332.383 1.964 50 0 EDAARO Cc1nc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000048090870 441258662 /nfs/dbraw/zinc/25/86/62/441258662.db2.gz CCPUOVQEBPSTFM-UHFFFAOYSA-N 1 0 328.420 1.910 50 0 EDAARO CC12CN3CC(C)(C[NH+](C1)CC3)C2NC(=S)Nc1ccccc1 ZINC000019773950 441259728 /nfs/dbraw/zinc/25/97/28/441259728.db2.gz MDEQDJOJHCAXLI-UHFFFAOYSA-N 1 0 330.501 1.999 50 0 EDAARO CC(C)([NH3+])c1cn(C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)nn1 ZINC000048121711 441262188 /nfs/dbraw/zinc/26/21/88/441262188.db2.gz MIWFYMWBTJGTQG-UHFFFAOYSA-N 1 0 345.369 1.978 50 0 EDAARO CCSCC[C@H](C)[N@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000072901060 441274927 /nfs/dbraw/zinc/27/49/27/441274927.db2.gz ZINYXDVUZJVLIW-GJZGRUSLSA-N 1 0 343.537 1.967 50 0 EDAARO C[C@@H]1c2cc(F)ccc2CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073728135 441347613 /nfs/dbraw/zinc/34/76/13/441347613.db2.gz KCDQAOWEERMHTG-UKRRQHHQSA-N 1 0 347.434 1.682 50 0 EDAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC1 ZINC000082092036 441331339 /nfs/dbraw/zinc/33/13/39/441331339.db2.gz XJVLFBUDESFISY-SFHVURJKSA-N 1 0 342.487 1.990 50 0 EDAARO C[C@@H](Nc1nc2c(c(=O)[nH]1)CC[NH2+]C2)c1ccccc1-n1cccn1 ZINC000082133812 441337098 /nfs/dbraw/zinc/33/70/98/441337098.db2.gz XBMZXLYBUUBHLL-GFCCVEGCSA-N 1 0 336.399 1.774 50 0 EDAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)OCc1ccccc1 ZINC000063704834 441344806 /nfs/dbraw/zinc/34/48/06/441344806.db2.gz XXNSJBTYIQKQPY-INIZCTEOSA-N 1 0 333.432 1.856 50 0 EDAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2ccccc2c1O ZINC000106922059 441391326 /nfs/dbraw/zinc/39/13/26/441391326.db2.gz GNVHVUXANXZLML-CQSZACIVSA-N 1 0 327.428 1.911 50 0 EDAARO OCCNc1cc(N2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)ncn1 ZINC000106963349 441394873 /nfs/dbraw/zinc/39/48/73/441394873.db2.gz NRRYIRYEVVMXHO-INIZCTEOSA-N 1 0 349.479 1.087 50 0 EDAARO COCCN1CC[N@H+](CCC(=O)N[C@H](C)c2ccccc2)C[C@@H]1C ZINC000106786606 441369887 /nfs/dbraw/zinc/36/98/87/441369887.db2.gz HKZBXQZUUPBZMZ-DLBZAZTESA-N 1 0 333.476 1.906 50 0 EDAARO O=C(NCc1cccc2cccnc21)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000107496795 441417351 /nfs/dbraw/zinc/41/73/51/441417351.db2.gz CECAUGFBYKFJHC-IRXDYDNUSA-N 1 0 340.427 1.897 50 0 EDAARO COc1cc(N2CC[NH+](CCCn3nc(C)cc3C)CC2)nc(N)n1 ZINC000065376493 441420954 /nfs/dbraw/zinc/42/09/54/441420954.db2.gz ZNCFNTJGJKRPNA-UHFFFAOYSA-N 1 0 345.451 1.093 50 0 EDAARO CCc1cc(N2CCC3(CNC(=O)C3)CC2)nc(N2CCCC2)[nH+]1 ZINC000065376294 441421209 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CC(C)S(=O)(=O)c1ccccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000065622660 441472492 /nfs/dbraw/zinc/47/24/92/441472492.db2.gz KFEXLQZZQONBNS-UHFFFAOYSA-N 1 0 338.473 1.940 50 0 EDAARO CS(=O)(=O)N1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000030656236 441500347 /nfs/dbraw/zinc/50/03/47/441500347.db2.gz WTFKVJHTJQBSBE-UHFFFAOYSA-N 1 0 347.278 1.963 50 0 EDAARO CC[NH+]1CCC(N(C(=O)[C@H](C)NC(=O)c2ccoc2)C2CC2)CC1 ZINC000065517332 441450456 /nfs/dbraw/zinc/45/04/56/441450456.db2.gz ZDSIPLIYCUACRA-ZDUSSCGKSA-N 1 0 333.432 1.873 50 0 EDAARO CNC(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000089385989 441544163 /nfs/dbraw/zinc/54/41/63/441544163.db2.gz CVGVQWJRWNREDH-ZDUSSCGKSA-N 1 0 338.477 1.518 50 0 EDAARO COC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000075139707 441501861 /nfs/dbraw/zinc/50/18/61/441501861.db2.gz CDKZIACFYZVNHO-OAHLLOKOSA-N 1 0 337.395 1.734 50 0 EDAARO Cc1c(Br)cccc1C(=O)NCCN1CC[NH2+]CC1 ZINC000088441925 441508372 /nfs/dbraw/zinc/50/83/72/441508372.db2.gz QOSICOUZNYNPRN-UHFFFAOYSA-N 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EDAARO Cc1c(Cl)c(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)nn1C ZINC000252527627 443040974 /nfs/dbraw/zinc/04/09/74/443040974.db2.gz DAHVRRHRSYAQQM-YRGRVCCFSA-N 1 0 340.855 1.251 50 0 EDAARO CN(Cc1nc2cc(F)ccc2[nH]1)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000252532829 443041883 /nfs/dbraw/zinc/04/18/83/443041883.db2.gz FHCJJGSPNHJGOA-JGZJWPJOSA-N 1 0 342.378 1.949 50 0 EDAARO Cc1nc(CN2CCC[C@H]([NH2+]CC[S@@](=O)c3ccccc3)C2)no1 ZINC000199023971 443047126 /nfs/dbraw/zinc/04/71/26/443047126.db2.gz MHEMPUSSLIMNDR-IZHWHUGBSA-N 1 0 348.472 1.740 50 0 EDAARO CCn1c(CN(C)CCCc2nccn2C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223242432 443087169 /nfs/dbraw/zinc/08/71/69/443087169.db2.gz IMVHPODXFTULKI-HDJSIYSDSA-N 1 0 331.468 1.301 50 0 EDAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cc(Cl)c[nH]1)C2 ZINC000223421311 443090391 /nfs/dbraw/zinc/09/03/91/443090391.db2.gz CVIAKSLDUIIOBW-CQSZACIVSA-N 1 0 337.811 1.116 50 0 EDAARO Cc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000253413869 443060151 /nfs/dbraw/zinc/06/01/51/443060151.db2.gz VWTLXFRUCPBSII-DOTOQJQBSA-N 1 0 326.400 1.008 50 0 EDAARO C[N@@H+]1CCc2ncnc(Sc3nnnn3Cc3ccccc3)c2C1 ZINC000253424802 443065659 /nfs/dbraw/zinc/06/56/59/443065659.db2.gz GYLWSRRWEHJJCU-UHFFFAOYSA-N 1 0 339.428 1.651 50 0 EDAARO Cc1ccn(CC(=O)N2CCN(Cc3cccnc3)C[C@H]2C)c(=O)c1 ZINC000253425764 443065798 /nfs/dbraw/zinc/06/57/98/443065798.db2.gz OPFKPRPONZHTCV-MRXNPFEDSA-N 1 0 340.427 1.285 50 0 EDAARO COc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)c(F)c1 ZINC000222807625 443081756 /nfs/dbraw/zinc/08/17/56/443081756.db2.gz BRIWZUPQCQCQAG-CVEARBPZSA-N 1 0 340.395 1.300 50 0 EDAARO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC000225463092 443104964 /nfs/dbraw/zinc/10/49/64/443104964.db2.gz HXLSPXHCOIBBRX-INIZCTEOSA-N 1 0 344.427 1.706 50 0 EDAARO O=C(Cc1ccc(F)cc1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000225480622 443107218 /nfs/dbraw/zinc/10/72/18/443107218.db2.gz ZWRAEOZFKQRIAJ-NVXWUHKLSA-N 1 0 347.434 1.475 50 0 EDAARO C[NH+](C)C[C@@H]1CN(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CCO1 ZINC000229517426 443128632 /nfs/dbraw/zinc/12/86/32/443128632.db2.gz MTIVXJUMKIYNNS-HUUCEWRRSA-N 1 0 348.365 1.881 50 0 EDAARO C[C@H](C(=O)NC1CC1)N1CC[C@@H](N(C)Cc2noc(C3CC3)n2)C1 ZINC000229913543 443130832 /nfs/dbraw/zinc/13/08/32/443130832.db2.gz ZMTXFANPEXQMSJ-BXUZGUMPSA-N 1 0 333.436 1.120 50 0 EDAARO Cc1c(C(=O)N(C)CCc2cccs2)nnn1C1CC[NH2+]CC1 ZINC000237221388 443164413 /nfs/dbraw/zinc/16/44/13/443164413.db2.gz JANHSEJKNLCMHD-UHFFFAOYSA-N 1 0 333.461 1.887 50 0 EDAARO CC(C)N(C)c1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cn1 ZINC000190740808 443174640 /nfs/dbraw/zinc/17/46/40/443174640.db2.gz YACSJXAYYKPCCT-UHFFFAOYSA-N 1 0 340.493 1.440 50 0 EDAARO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000237577106 443176363 /nfs/dbraw/zinc/17/63/63/443176363.db2.gz WXOQQXUMMJJYKP-KYOSRNDESA-N 1 0 342.436 1.292 50 0 EDAARO C[C@@H]1CN(Cc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000237626519 443177390 /nfs/dbraw/zinc/17/73/90/443177390.db2.gz GLOHCWBGKASRBQ-GASCZTMLSA-N 1 0 331.460 1.859 50 0 EDAARO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000237773526 443182106 /nfs/dbraw/zinc/18/21/06/443182106.db2.gz DCEOZCLGONWOHB-UHFFFAOYSA-N 1 0 326.315 1.829 50 0 EDAARO [NH3+][C@H]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000237848001 443183879 /nfs/dbraw/zinc/18/38/79/443183879.db2.gz CPGUBTFPHCWYHI-JTQLQIEISA-N 1 0 343.836 1.053 50 0 EDAARO O=C(C[NH2+]C[C@H]1CCCO1)Nc1cc(Br)c[nH]c1=O ZINC000238114921 443195000 /nfs/dbraw/zinc/19/50/00/443195000.db2.gz RABYNCSEZYYUAQ-SECBINFHSA-N 1 0 330.182 1.257 50 0 EDAARO CC(C)n1nc(C[NH2+]CCN2CCOCC2)c(-c2ccccc2)n1 ZINC000261492177 443160812 /nfs/dbraw/zinc/16/08/12/443160812.db2.gz SRIIXELAGOHBGD-UHFFFAOYSA-N 1 0 329.448 1.948 50 0 EDAARO CNC(=O)COc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000269185668 443225502 /nfs/dbraw/zinc/22/55/02/443225502.db2.gz KRPKYUBVGGCISB-GXTWGEPZSA-N 1 0 349.431 1.162 50 0 EDAARO CC1(C)CC(CC(=O)N2CCc3[nH]nc(CO)c3C2)CC(C)(C)[NH2+]1 ZINC000244795215 443214713 /nfs/dbraw/zinc/21/47/13/443214713.db2.gz RBSGUGHDRJETKM-UHFFFAOYSA-N 1 0 334.464 1.734 50 0 EDAARO C[C@H](CNc1nc2c(cnn2C)c(N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000278427700 443328320 /nfs/dbraw/zinc/32/83/20/443328320.db2.gz PHEHIOORLNCTRH-GFCCVEGCSA-N 1 0 337.431 1.804 50 0 EDAARO COc1cc2c(cc1OC)CN(CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)CC2 ZINC000299740249 444129511 /nfs/dbraw/zinc/12/95/11/444129511.db2.gz XOCZLVRVQRQIHD-HOCLYGCPSA-N 1 0 347.459 1.306 50 0 EDAARO COCCn1cc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000367097766 446506187 /nfs/dbraw/zinc/50/61/87/446506187.db2.gz CCZFRSWRGJXHCM-HOTGVXAUSA-N 1 0 335.452 1.155 50 0 EDAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCc1cc(C2CC2)on1 ZINC000426698487 447492417 /nfs/dbraw/zinc/49/24/17/447492417.db2.gz VFXLZRHISSEQGU-ZDUSSCGKSA-N 1 0 329.404 1.532 50 0 EDAARO Nc1nc(NCC2CC[NH+](C3CCCC3)CC2)cc([C@@H]2CCOC2)n1 ZINC000426571460 447472928 /nfs/dbraw/zinc/47/29/28/447472928.db2.gz JDTNHLNWLWAFKT-OAHLLOKOSA-N 1 0 345.491 2.051 50 0 EDAARO O=C(N[C@H]1C[NH2+]CC[C@H]1O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000534576762 448453189 /nfs/dbraw/zinc/45/31/89/448453189.db2.gz ZVVXYDWIRRMDHG-WDEREUQCSA-N 1 0 328.294 1.034 50 0 EDAARO Cn1cccc1-c1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)[nH]n1 ZINC000534592770 448458177 /nfs/dbraw/zinc/45/81/77/448458177.db2.gz VNHBDKKFPGWELL-HOCLYGCPSA-N 1 0 329.404 1.008 50 0 EDAARO [NH3+]CCc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000534634268 448458501 /nfs/dbraw/zinc/45/85/01/448458501.db2.gz HPXXGJVTAMPGEY-QGZVFWFLSA-N 1 0 341.386 1.640 50 0 EDAARO CCN1CC[NH+](C2CCN(C(=O)NCc3ccc(O)cc3)CC2)CC1 ZINC000534649408 448460525 /nfs/dbraw/zinc/46/05/25/448460525.db2.gz DMNZSCZFTGSIIR-UHFFFAOYSA-N 1 0 346.475 1.704 50 0 EDAARO CN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000585141671 448711364 /nfs/dbraw/zinc/71/13/64/448711364.db2.gz YXIWPHDWYYCCRM-KRWDZBQOSA-N 1 0 344.459 1.523 50 0 EDAARO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000673512885 487031124 /nfs/dbraw/zinc/03/11/24/487031124.db2.gz JTVYWAVLHZONOD-DJIMGWMZSA-N 1 0 346.427 1.324 50 0 EDAARO O=C(NCCc1cc(F)ccc1F)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000083214898 486179702 /nfs/dbraw/zinc/17/97/02/486179702.db2.gz UUAYVNGNUSGANR-CABCVRRESA-N 1 0 339.386 1.670 50 0 EDAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000084736374 486282955 /nfs/dbraw/zinc/28/29/55/486282955.db2.gz DTHZCZBPETTZEW-OCCSQVGLSA-N 1 0 340.445 1.565 50 0 EDAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCCC(=O)N1 ZINC000169774212 486462268 /nfs/dbraw/zinc/46/22/68/486462268.db2.gz XAEJSFVRKWYAJG-QGZVFWFLSA-N 1 0 329.444 1.610 50 0 EDAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000670473791 486567762 /nfs/dbraw/zinc/56/77/62/486567762.db2.gz CEPJQYWTSPXSIS-LLVKDONJSA-N 1 0 331.338 1.799 50 0 EDAARO CC[N@H+](C)[C@@H](C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000229293813 535759941 /nfs/dbraw/zinc/75/99/41/535759941.db2.gz BNHFAIVKDDHYRC-HZPDHXFCSA-N 1 0 343.431 1.706 50 0 EDAARO COc1cc(C[N@@H+]2CCCO[C@H](Cn3cccn3)C2)cc2c1OCO2 ZINC000215827428 536750658 /nfs/dbraw/zinc/75/06/58/536750658.db2.gz SNEVQECWNJTYLD-HNNXBMFYSA-N 1 0 345.399 1.912 50 0 EDAARO CN1CC[N@H+](C)CC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000863948079 596724796 /nfs/dbraw/zinc/72/47/96/596724796.db2.gz BUEJXYJURUOXNJ-UHFFFAOYSA-N 1 0 336.524 1.251 50 0 EDAARO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(F)c1 ZINC000874433157 597076196 /nfs/dbraw/zinc/07/61/96/597076196.db2.gz GUDVKGTTZXTUAB-UHFFFAOYSA-N 1 0 342.436 1.747 50 0 EDAARO C[NH+](C)CCOc1cc(CNC(=O)[C@H]2Cc3ccccc3O2)ccn1 ZINC000179477402 698036269 /nfs/dbraw/zinc/03/62/69/698036269.db2.gz JGTVRDDLYSIRDD-QGZVFWFLSA-N 1 0 341.411 1.642 50 0 EDAARO CN1C(=O)N(C)[C@@]2(c3ccccc3)N(N)C(=[NH2+])N[C@]12c1ccccc1 ZINC000032266930 707532712 /nfs/dbraw/zinc/53/27/12/707532712.db2.gz AWNZZCYMJHJGTF-MSOLQXFVSA-N 1 0 336.399 1.403 50 0 EDAARO COC(C)(C)C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000097742586 219052129 /nfs/dbraw/zinc/05/21/29/219052129.db2.gz VZVCQIBPPHKSAF-CMVHYPBASA-N 1 0 343.471 1.095 50 0 EDAARO O=C(CCCn1cncn1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000054775646 214255179 /nfs/dbraw/zinc/25/51/79/214255179.db2.gz WWQVHSDGWJFFBL-UHFFFAOYSA-N 1 0 333.461 1.854 50 0 EDAARO COCCn1cnnc1[C@@H](C)NC(=O)CC[NH+]1CCCCCCC1 ZINC000055153505 214280709 /nfs/dbraw/zinc/28/07/09/214280709.db2.gz RHPFDQBNMOSBON-OAHLLOKOSA-N 1 0 337.468 1.758 50 0 EDAARO Cc1cc(C)c(OCCNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)c(C)c1 ZINC000055270992 214299547 /nfs/dbraw/zinc/29/95/47/214299547.db2.gz BMVDRFQJHHUSOC-INIZCTEOSA-N 1 0 347.459 1.304 50 0 EDAARO CN1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000130141395 529805626 /nfs/dbraw/zinc/80/56/26/529805626.db2.gz CXBMGANXFORWBO-INIZCTEOSA-N 1 0 330.432 1.312 50 0 EDAARO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)CN3CCCC3=O)c2cc1C ZINC000048345994 213927597 /nfs/dbraw/zinc/92/75/97/213927597.db2.gz 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331.460 1.996 50 0 EDAARO COCC[N@H+](C)C[C@@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1CO ZINC000091254882 441688842 /nfs/dbraw/zinc/68/88/42/441688842.db2.gz MWORSQXJVBAOLG-IAGOWNOFSA-N 1 0 348.491 1.757 50 0 EDAARO COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C(C)C)C2)cc1OC ZINC000091270301 441690960 /nfs/dbraw/zinc/69/09/60/441690960.db2.gz FIOBCLJSGSOXTK-OLZOCXBDSA-N 1 0 328.434 1.308 50 0 EDAARO Cc1nc(CC[NH3+])cc(N2CCC(OCc3cccnc3)CC2)n1 ZINC000067714844 441671856 /nfs/dbraw/zinc/67/18/56/441671856.db2.gz WYZRGVDFTIUIAC-UHFFFAOYSA-N 1 0 327.432 1.867 50 0 EDAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091713774 441731161 /nfs/dbraw/zinc/73/11/61/441731161.db2.gz IHYDYTYCTLCIHG-SWLSCSKDSA-N 1 0 330.432 1.785 50 0 EDAARO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)C1 ZINC000042386514 441733275 /nfs/dbraw/zinc/73/32/75/441733275.db2.gz RIKDFGXPNDLYHC-AWEZNQCLSA-N 1 0 347.525 1.142 50 0 EDAARO O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[C@H](O)C(F)(F)F ZINC000158517037 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C[NH+](C)CCCNC(=O)c1ccn(COc2ccc(F)cc2F)n1 ZINC000035670798 213045357 /nfs/dbraw/zinc/04/53/57/213045357.db2.gz ODIQHPHYTJMCET-UHFFFAOYSA-N 1 0 338.358 1.879 50 0 EDAARO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000071310460 215756935 /nfs/dbraw/zinc/75/69/35/215756935.db2.gz IXLBONRDWPUSBH-JTQLQIEISA-N 1 0 349.250 1.440 50 0 EDAARO CC[C@H](C)CS(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000071904697 215946690 /nfs/dbraw/zinc/94/66/90/215946690.db2.gz RZPYIHQHYPXUNN-HNNXBMFYSA-N 1 0 332.510 1.797 50 0 EDAARO C[C@H](C(=O)N1CCCCC1)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124220374 237150858 /nfs/dbraw/zinc/15/08/58/237150858.db2.gz PUGGWQKJNHQURF-MRXNPFEDSA-N 1 0 325.497 1.678 50 0 EDAARO C[NH+](C)[C@@H]1CCCN(C(=O)CCN2Cc3ccccc3C2=O)CC1 ZINC000072148483 216034723 /nfs/dbraw/zinc/03/47/23/216034723.db2.gz MHLQQFLQFCUVBD-MRXNPFEDSA-N 1 0 329.444 1.975 50 0 EDAARO Cc1ccnn1CC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072151527 216039821 /nfs/dbraw/zinc/03/98/21/216039821.db2.gz 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216257449 /nfs/dbraw/zinc/25/74/49/216257449.db2.gz ZHPSHOGEWZFIHH-IBGZPJMESA-N 1 0 345.443 1.671 50 0 EDAARO [NH3+]C1(C(=O)N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000072480936 216260449 /nfs/dbraw/zinc/26/04/49/216260449.db2.gz XOVBROLACQZYFY-LLVKDONJSA-N 1 0 328.338 1.677 50 0 EDAARO COCC[NH+]1CCC(CNC(=O)c2cccc(OC)c2OC)CC1 ZINC000023014119 212342146 /nfs/dbraw/zinc/34/21/46/212342146.db2.gz PLICXKQLNPAXKX-UHFFFAOYSA-N 1 0 336.432 1.792 50 0 EDAARO C[N@H+](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000022197557 212281291 /nfs/dbraw/zinc/28/12/91/212281291.db2.gz RPBYAPPQVIZTCV-UHFFFAOYSA-N 1 0 339.461 1.927 50 0 EDAARO O[C@H]1COC[C@@H]1N1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000216393001 241187551 /nfs/dbraw/zinc/18/75/51/241187551.db2.gz IRMCMNUMLNHYHA-OALUTQOASA-N 1 0 342.443 1.140 50 0 EDAARO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 ZINC000241923282 243005522 /nfs/dbraw/zinc/00/55/22/243005522.db2.gz UERHXSUZBTULLS-CYBMUJFWSA-N 1 0 345.403 1.025 50 0 EDAARO 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341.521 1.782 50 0 EDAARO Cc1c[nH+]ccc1N1CCN(C(=O)COCC(F)(F)C(F)F)CC1 ZINC000223378885 443088988 /nfs/dbraw/zinc/08/89/88/443088988.db2.gz ZFGPOPOJTPWGNO-UHFFFAOYSA-N 1 0 349.328 1.956 50 0 EDAARO Cn1cc(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCCC2)cn1 ZINC000220368210 443065144 /nfs/dbraw/zinc/06/51/44/443065144.db2.gz VMFHHRQZUOBVII-BZZMCLGOSA-N 1 0 332.448 1.111 50 0 EDAARO CC1CC[NH+](C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC000253536815 443072174 /nfs/dbraw/zinc/07/21/74/443072174.db2.gz BVWSQDPTUXFIPD-CQSZACIVSA-N 1 0 343.427 1.763 50 0 EDAARO O=C(NCCSc1c[nH]nn1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000222520059 443078901 /nfs/dbraw/zinc/07/89/01/443078901.db2.gz POLYJEVHUUQBRQ-AWEZNQCLSA-N 1 0 331.445 1.678 50 0 EDAARO C[NH2+]CCC1CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000225427783 443102754 /nfs/dbraw/zinc/10/27/54/443102754.db2.gz IXIUIYPDBJXEIX-HUUCEWRRSA-N 1 0 346.493 1.370 50 0 EDAARO Cc1cncc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000225501008 443107950 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c1coc(-c2nc3c(c(NCCn4ccnn4)n2)CC[NH2+]CC3)c1 ZINC000072423336 216213185 /nfs/dbraw/zinc/21/31/85/216213185.db2.gz CAMSTQXTWZFISC-UHFFFAOYSA-N 1 0 325.376 1.128 50 0 EDAARO CN(Cc1cnc2ccccc2c1)c1nc(N)nc2c1CC[NH2+]CC2 ZINC000072453869 216240534 /nfs/dbraw/zinc/24/05/34/216240534.db2.gz WIVPFCSDIHSWTR-UHFFFAOYSA-N 1 0 334.427 1.932 50 0 EDAARO COC[C@H](c1ccccn1)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072463696 216246641 /nfs/dbraw/zinc/24/66/41/216246641.db2.gz RIZZIZANSVUZLW-QGZVFWFLSA-N 1 0 338.415 1.871 50 0 EDAARO C[C@@H]1C[NH+](CCCNC(=O)c2n[nH]c(=O)c3ccccc32)C[C@@H](C)O1 ZINC000023509264 212381903 /nfs/dbraw/zinc/38/19/03/212381903.db2.gz LOBJSLPFXRBJPC-CHWSQXEVSA-N 1 0 344.415 1.152 50 0 EDAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C(C)C)n3CC2)o1 ZINC000023129214 212352055 /nfs/dbraw/zinc/35/20/55/212352055.db2.gz KXXFYNHXJKRTSJ-UHFFFAOYSA-N 1 0 345.447 1.553 50 0 EDAARO CC(C)CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127543 212351604 /nfs/dbraw/zinc/35/16/04/212351604.db2.gz 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C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000242001099 243007408 /nfs/dbraw/zinc/00/74/08/243007408.db2.gz VCYVKXGOKFCAGB-CABCVRRESA-N 1 0 325.453 1.450 50 0 EDAARO O=S(=O)(CCc1cccs1)NCCC[NH2+]Cc1cccnc1 ZINC000242346918 243020123 /nfs/dbraw/zinc/02/01/23/243020123.db2.gz ZKFMYFVSLDSJIV-UHFFFAOYSA-N 1 0 339.486 1.785 50 0 EDAARO O=C(CC[NH+]1CCC(Oc2ncccn2)CC1)Nc1nccs1 ZINC000244691669 243056403 /nfs/dbraw/zinc/05/64/03/243056403.db2.gz JGYPWVNQKKJABN-UHFFFAOYSA-N 1 0 333.417 1.805 50 0 EDAARO C[NH+]1CCN(CCNS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000020819426 212173984 /nfs/dbraw/zinc/17/39/84/212173984.db2.gz MGQFKLHUWODITB-UHFFFAOYSA-N 1 0 331.869 1.007 50 0 EDAARO COc1ccc2c(cc(C(=O)N3CCO[C@H](CC[NH+](C)C)C3)n2C)c1 ZINC000020513853 212142697 /nfs/dbraw/zinc/14/26/97/212142697.db2.gz SVFOBXRJICWYLN-MRXNPFEDSA-N 1 0 345.443 1.980 50 0 EDAARO O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249832508 284087239 /nfs/dbraw/zinc/08/72/39/284087239.db2.gz 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50 0 EDAARO Cc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000089639106 217822541 /nfs/dbraw/zinc/82/25/41/217822541.db2.gz HTWBDSUYRPMRDN-HNNXBMFYSA-N 1 0 326.462 1.366 50 0 EDAARO O=C(CCCn1cncn1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012468956 211390102 /nfs/dbraw/zinc/39/01/02/211390102.db2.gz FCJDJSDHZMBBNV-SFHVURJKSA-N 1 0 341.459 1.882 50 0 EDAARO Cc1ccc(SCCNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000091416424 218002554 /nfs/dbraw/zinc/00/25/54/218002554.db2.gz URAHVTLLWFWMSM-AWEZNQCLSA-N 1 0 335.473 1.401 50 0 EDAARO COc1cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)ccc1F ZINC000091475005 218012307 /nfs/dbraw/zinc/01/23/07/218012307.db2.gz ISYSSYKVNUEYRZ-SJORKVTESA-N 1 0 339.407 1.559 50 0 EDAARO CCCNc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CCOC)cn1 ZINC000091644984 218038980 /nfs/dbraw/zinc/03/89/80/218038980.db2.gz UTRGNVXPFFEBEM-JKSUJKDBSA-N 1 0 347.463 1.368 50 0 EDAARO O=C1N(CCO)CCC[C@@]12CC[N@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000091656991 218042351 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EDAARO CN1CC[N@@H+](C2CCOCC2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091859838 218078532 /nfs/dbraw/zinc/07/85/32/218078532.db2.gz BLAMYPINHNODMW-IBGZPJMESA-N 1 0 335.492 1.574 50 0 EDAARO OC[C@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1CN1CCOCC1 ZINC000091872970 218081961 /nfs/dbraw/zinc/08/19/61/218081961.db2.gz PWMZZUVYXXLAKQ-HUUCEWRRSA-N 1 0 326.387 1.337 50 0 EDAARO C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2)C[C@@]12CCNC(=O)CC2 ZINC000091986463 218099383 /nfs/dbraw/zinc/09/93/83/218099383.db2.gz WRMLSMJBQQEUEN-GOSISDBHSA-N 1 0 348.422 1.322 50 0 EDAARO c1cn(Cc2cn3cccnc3n2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000092002922 218101545 /nfs/dbraw/zinc/10/15/45/218101545.db2.gz FBMMRAIGUMHVFP-UHFFFAOYSA-N 1 0 349.402 1.157 50 0 EDAARO CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)cc1 ZINC000092045718 218110982 /nfs/dbraw/zinc/11/09/82/218110982.db2.gz HMXINKOATMTDMF-ZWKOTPCHSA-N 1 0 343.471 1.760 50 0 EDAARO CC(C)(C)OC(=O)N1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000009846106 211128117 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441966389 /nfs/dbraw/zinc/96/63/89/441966389.db2.gz XYVRMWATKWZYNZ-UHFFFAOYSA-N 1 0 340.431 1.688 50 0 EDAARO CC(C)c1ccc(OCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000069618270 441991991 /nfs/dbraw/zinc/99/19/91/441991991.db2.gz YRFZXPAPDUOVIK-QGZVFWFLSA-N 1 0 347.459 1.645 50 0 EDAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccccc1OC(F)(F)F ZINC000069622318 441992501 /nfs/dbraw/zinc/99/25/01/441992501.db2.gz VHGTYSIGQPSDFH-LLVKDONJSA-N 1 0 346.353 1.953 50 0 EDAARO Cn1cc(CN2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)cn1 ZINC000069628613 441995647 /nfs/dbraw/zinc/99/56/47/441995647.db2.gz RYQNTQJPXHGBTO-IBGZPJMESA-N 1 0 344.459 1.115 50 0 EDAARO COc1ccc([C@H](NC(=O)C[NH2+]C[C@@H]2CN(C)CCO2)C(C)C)cc1 ZINC000069652972 442000739 /nfs/dbraw/zinc/00/07/39/442000739.db2.gz WZYPWLCEOKXSOQ-IEBWSBKVSA-N 1 0 349.475 1.429 50 0 EDAARO CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCC)CCO2)n1 ZINC000078890205 441985857 /nfs/dbraw/zinc/98/58/57/441985857.db2.gz DVLFRVGBSOECRR-CABCVRRESA-N 1 0 349.479 1.922 50 0 EDAARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1-c1nnc(C)o1 ZINC000125128066 441987693 /nfs/dbraw/zinc/98/76/93/441987693.db2.gz WXMFJUNICIFLEQ-CQSZACIVSA-N 1 0 344.415 1.886 50 0 EDAARO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069699813 442012972 /nfs/dbraw/zinc/01/29/72/442012972.db2.gz ZIKDVXCNRHKPOE-HUUCEWRRSA-N 1 0 336.823 1.836 50 0 EDAARO COCC[N@@H+]1CCN(CCC(=O)N2CCc3ccccc32)C[C@H]1C ZINC000069706738 442019628 /nfs/dbraw/zinc/01/96/28/442019628.db2.gz OYVQJWFPZXIVMK-MRXNPFEDSA-N 1 0 331.460 1.618 50 0 EDAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000069737410 442023487 /nfs/dbraw/zinc/02/34/87/442023487.db2.gz MIHBUNPNZXFLMD-OAHLLOKOSA-N 1 0 342.443 1.777 50 0 EDAARO Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1F ZINC000096099707 442027154 /nfs/dbraw/zinc/02/71/54/442027154.db2.gz HCIDLYVYSPGJDM-CQSZACIVSA-N 1 0 342.436 1.354 50 0 EDAARO CCc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)s1 ZINC000096099708 442027388 /nfs/dbraw/zinc/02/73/88/442027388.db2.gz XSWACDNOERHPHM-ZDUSSCGKSA-N 1 0 344.502 1.530 50 0 EDAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000096148264 442045349 /nfs/dbraw/zinc/04/53/49/442045349.db2.gz DDHPZANRGHSDEI-UHFFFAOYSA-N 1 0 337.431 1.835 50 0 EDAARO Cc1cc2c(ncnc2N2CCC([N@@H+]3CCOC[C@@H](O)C3)CC2)s1 ZINC000096159925 442050879 /nfs/dbraw/zinc/05/08/79/442050879.db2.gz FLMXORAJLCUDDF-AWEZNQCLSA-N 1 0 348.472 1.662 50 0 EDAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)on1 ZINC000069842481 442053016 /nfs/dbraw/zinc/05/30/16/442053016.db2.gz FYYQEOXBDCRLIM-WCQYABFASA-N 1 0 348.407 1.256 50 0 EDAARO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000162030926 442057613 /nfs/dbraw/zinc/05/76/13/442057613.db2.gz BZNMTAYQPYXJEF-UHFFFAOYSA-N 1 0 344.459 1.780 50 0 EDAARO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)N1CCc2ccccc21 ZINC000069922065 442076132 /nfs/dbraw/zinc/07/61/32/442076132.db2.gz BAEAXPYVDPTBGK-HNNXBMFYSA-N 1 0 325.416 1.579 50 0 EDAARO OCC[NH+]1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000096288997 442109784 /nfs/dbraw/zinc/10/97/84/442109784.db2.gz XXGVJVGIUASUCV-UHFFFAOYSA-N 1 0 329.238 1.438 50 0 EDAARO O[C@H](Cn1cccn1)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000096424353 442124935 /nfs/dbraw/zinc/12/49/35/442124935.db2.gz DSVWUJNVJLREJJ-HNNXBMFYSA-N 1 0 325.416 2.000 50 0 EDAARO Cc1ccc(N2CC[C@H](N3CC[NH+](C[C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000096455419 442137040 /nfs/dbraw/zinc/13/70/40/442137040.db2.gz OHPDADSIUKMPAS-HKUYNNGSSA-N 1 0 343.471 1.754 50 0 EDAARO Cc1nccn1CCC[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000096485953 442141562 /nfs/dbraw/zinc/14/15/62/442141562.db2.gz KBUAWIRPBSBTOW-UHFFFAOYSA-N 1 0 334.464 1.543 50 0 EDAARO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000096489569 442142852 /nfs/dbraw/zinc/14/28/52/442142852.db2.gz ZLOQXOUABBWIQM-INIZCTEOSA-N 1 0 334.464 1.709 50 0 EDAARO C[C@@]1(CNC(=O)N2CCNC(=O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000097102727 442168021 /nfs/dbraw/zinc/16/80/21/442168021.db2.gz 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ZINC000169022524 442225891 /nfs/dbraw/zinc/22/58/91/442225891.db2.gz QSHZHYJUURYNRN-GFCCVEGCSA-N 1 0 325.409 1.145 50 0 EDAARO COc1nc(C)nc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000170083820 442228954 /nfs/dbraw/zinc/22/89/54/442228954.db2.gz PJFSKKVLCTVBJK-INIZCTEOSA-N 1 0 333.480 1.708 50 0 EDAARO CN(CC1([NH+](C)C)CCC1)C(=O)CCn1cnc2ccccc2c1=O ZINC000170602937 442234293 /nfs/dbraw/zinc/23/42/93/442234293.db2.gz LHHYASMVAPEBNK-UHFFFAOYSA-N 1 0 342.443 1.729 50 0 EDAARO Cc1cnn(-c2ccc(S(=O)(=O)NCC[C@H](C)[NH3+])cc2F)c1 ZINC000178911552 442523274 /nfs/dbraw/zinc/52/32/74/442523274.db2.gz RYIIWVYPHPCBBB-NSHDSACASA-N 1 0 326.397 1.335 50 0 EDAARO CN(C(=O)c1ncoc1-c1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000179115468 442576415 /nfs/dbraw/zinc/57/64/15/442576415.db2.gz YPVBHNRXWLDPKZ-GFCCVEGCSA-N 1 0 329.356 1.547 50 0 EDAARO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000187716275 442688021 /nfs/dbraw/zinc/68/80/21/442688021.db2.gz SAXLHLABWRHJEA-HIFRSBDPSA-N 1 0 338.473 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C[NH+](C)C[C@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccc(Cl)cc1 ZINC000242106261 535951914 /nfs/dbraw/zinc/95/19/14/535951914.db2.gz WIGIVUSNKBTGHJ-RYUDHWBXSA-N 1 0 327.837 1.884 50 0 EDAARO CCn1c(CN2CC(Oc3ccccc3F)C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243892785 535980702 /nfs/dbraw/zinc/98/07/02/535980702.db2.gz ALENOULDZQOHGO-BETUJISGSA-N 1 0 345.422 1.905 50 0 EDAARO Cc1nc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)nn1-c1ccc(F)cc1 ZINC000812344902 593499297 /nfs/dbraw/zinc/49/92/97/593499297.db2.gz XOGQOJSHERAHHL-KBPBESRZSA-N 1 0 343.406 1.739 50 0 EDAARO O=C(C[NH+]1CCCCCC1)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000012430088 707793745 /nfs/dbraw/zinc/79/37/45/707793745.db2.gz MXNGGGPYKADSHY-GOSISDBHSA-N 1 0 343.471 1.822 50 0 EDAARO O[C@H](Cn1cccn1)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000051377743 214092432 /nfs/dbraw/zinc/09/24/32/214092432.db2.gz KPPGBRKXUMMCAG-SFHVURJKSA-N 1 0 332.423 1.591 50 0 EDAARO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1Br ZINC000052093574 214116424 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CN1N=C(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1=O ZINC000021939670 212264995 /nfs/dbraw/zinc/26/49/95/212264995.db2.gz NRDSPONATGAUKJ-UHFFFAOYSA-N 1 0 328.416 1.507 50 0 EDAARO C[C@@H](C(=O)N1CCOCC1)[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000229272180 242152974 /nfs/dbraw/zinc/15/29/74/242152974.db2.gz HAKZVYYWMGUSKV-JKSUJKDBSA-N 1 0 342.443 1.921 50 0 EDAARO Cc1cnn(C[C@H]2CN(C[C@@H](O)COc3ccccc3C)CCO2)c1 ZINC000229506051 242169382 /nfs/dbraw/zinc/16/93/82/242169382.db2.gz HRLXJIRHYSAVGL-QZTJIDSGSA-N 1 0 345.443 1.641 50 0 EDAARO CN(Cc1cc2ccccc2o1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000229849342 242208359 /nfs/dbraw/zinc/20/83/59/242208359.db2.gz NIJFNNKQTOGARB-HNNXBMFYSA-N 1 0 330.432 1.820 50 0 EDAARO CN(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)c1cccs1 ZINC000229892621 242213086 /nfs/dbraw/zinc/21/30/86/242213086.db2.gz MFVGPWFCKRXIBA-UONOGXRCSA-N 1 0 335.473 1.763 50 0 EDAARO O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000230088105 242228678 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O=C(NCCCO)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000110714494 220060707 /nfs/dbraw/zinc/06/07/07/220060707.db2.gz NRPMKRZHVSAJJP-FGTMMUONSA-N 1 0 331.460 1.969 50 0 EDAARO CCN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccccc1 ZINC000248378154 284363715 /nfs/dbraw/zinc/36/37/15/284363715.db2.gz ISXXOTBDHJYADH-CVEARBPZSA-N 1 0 325.478 1.856 50 0 EDAARO Cc1cc(N2CCC(c3nnc(Cn4cncn4)n3C)CC2)cc[nH+]1 ZINC000091486474 218012962 /nfs/dbraw/zinc/01/29/62/218012962.db2.gz UTBYDEUPKZUFIT-UHFFFAOYSA-N 1 0 338.419 1.542 50 0 EDAARO CCCCc1c(C)[nH+]c(N)nc1N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000091536078 218018867 /nfs/dbraw/zinc/01/88/67/218018867.db2.gz OYYAKDOCJVZVEV-ZDUSSCGKSA-N 1 0 340.493 1.971 50 0 EDAARO CN1CC[C@]2(CN(C(=O)Cc3cccs3)CC[N@@H+]2C)CCC1=O ZINC000091595421 218029547 /nfs/dbraw/zinc/02/95/47/218029547.db2.gz SKPHYSPSAXFLEQ-KRWDZBQOSA-N 1 0 335.473 1.446 50 0 EDAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)C[C@@H]1CO ZINC000091754670 218059090 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327.428 1.985 50 0 EDAARO CN(CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cnccn1 ZINC000048121987 441262158 /nfs/dbraw/zinc/26/21/58/441262158.db2.gz ISCQYTKHHUWTGJ-UHFFFAOYSA-N 1 0 339.443 1.647 50 0 EDAARO Cn1c2ccc([C@@H]3[NH2+]CC[C@]34c3ccccc3NC4=O)cc2n(C)c1=O ZINC000061719507 441285875 /nfs/dbraw/zinc/28/58/75/441285875.db2.gz DGPMUVKHRQGELD-PXNSSMCTSA-N 1 0 348.406 1.802 50 0 EDAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1c[nH]nc1C1CCCCC1 ZINC000082108275 441333538 /nfs/dbraw/zinc/33/35/38/441333538.db2.gz MZHUHKAFHHKHAW-UHFFFAOYSA-N 1 0 328.420 1.687 50 0 EDAARO CCC[N@@H+]1CCCn2nc(CNC(=O)CN3CCCCC3=O)cc2C1 ZINC000082120318 441334396 /nfs/dbraw/zinc/33/43/96/441334396.db2.gz PLTREFWRRYEZFO-UHFFFAOYSA-N 1 0 347.463 1.128 50 0 EDAARO COc1cccc(-n2cc(CN(C)C(=O)C[C@H]3COCC[NH2+]3)cn2)c1 ZINC000082119976 441334512 /nfs/dbraw/zinc/33/45/12/441334512.db2.gz ULIGQCGIZIFEBG-HNNXBMFYSA-N 1 0 344.415 1.218 50 0 EDAARO CCn1ncc(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)c1C ZINC000082109185 441334730 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CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2nnc3n2CCC3)CC1 ZINC000089661954 441569593 /nfs/dbraw/zinc/56/95/93/441569593.db2.gz JZFWWHNGFBFAEY-UHFFFAOYSA-N 1 0 335.452 1.961 50 0 EDAARO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000089702499 441571660 /nfs/dbraw/zinc/57/16/60/441571660.db2.gz IRXGJRSMPYPWKG-AWEZNQCLSA-N 1 0 336.461 1.793 50 0 EDAARO C[NH+](C)C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 ZINC000032781271 441572150 /nfs/dbraw/zinc/57/21/50/441572150.db2.gz BQHZKWDXGKPUFY-QGZVFWFLSA-N 1 0 340.427 1.888 50 0 EDAARO O=C(Cn1cc(C2CC2)nn1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000089834945 441584922 /nfs/dbraw/zinc/58/49/22/441584922.db2.gz PDEIGAGPBHTLIT-UHFFFAOYSA-N 1 0 339.443 1.890 50 0 EDAARO CC(C)N1C(=O)N[C@@](C)([C@H]2CCC[N@H+](CCc3cnn(C)c3)C2)C1=O ZINC000089869759 441587179 /nfs/dbraw/zinc/58/71/79/441587179.db2.gz FAFOSLPTIAZQRU-YJBOKZPZSA-N 1 0 347.463 1.394 50 0 EDAARO Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 ZINC000076058873 441590066 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CC[NH+]1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3C)n2)CC1 ZINC000022808515 212326300 /nfs/dbraw/zinc/32/63/00/212326300.db2.gz RCELNEJSMAQSOB-UHFFFAOYSA-N 1 0 341.463 1.952 50 0 EDAARO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ncccc2F)CC1 ZINC000193977017 240385143 /nfs/dbraw/zinc/38/51/43/240385143.db2.gz QBJLRHBBMYOYBQ-UHFFFAOYSA-N 1 0 344.394 1.689 50 0 EDAARO COCCn1ccnc1CN1CCCN(c2cc[nH+]cc2C)CC1 ZINC000215780245 241147555 /nfs/dbraw/zinc/14/75/55/241147555.db2.gz NFQPPERQDHRPTF-UHFFFAOYSA-N 1 0 329.448 1.945 50 0 EDAARO Cc1ccn(CCC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000216209982 241175476 /nfs/dbraw/zinc/17/54/76/241175476.db2.gz HPXWNUDUYDNFRD-KRWDZBQOSA-N 1 0 334.464 1.685 50 0 EDAARO O=C(CN1CCOC1=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000215511096 241129073 /nfs/dbraw/zinc/12/90/73/241129073.db2.gz KQMQNGMQHALISW-MRXNPFEDSA-N 1 0 331.416 1.782 50 0 EDAARO O=C(CCc1cccs1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000225481089 241886992 /nfs/dbraw/zinc/88/69/92/241886992.db2.gz QKKZZMRXNOKQAA-GDBMZVCRSA-N 1 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ZINC000083881745 486236499 /nfs/dbraw/zinc/23/64/99/486236499.db2.gz JQRDPXUDNDDMBN-IBGZPJMESA-N 1 0 345.487 1.388 50 0 EDAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1=NO[C@@H](c2ccccc2)C1 ZINC000084525316 486265982 /nfs/dbraw/zinc/26/59/82/486265982.db2.gz LEUMKWWSIKQGPS-BFYDXBDKSA-N 1 0 329.400 1.483 50 0 EDAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(COC)cc1 ZINC000084736320 486282257 /nfs/dbraw/zinc/28/22/57/486282257.db2.gz LIQRCTZDIWNDDY-SJORKVTESA-N 1 0 340.489 1.983 50 0 EDAARO CCc1nc2n(n1)C[C@H]([NH2+]CCCOc1ccc3c(c1)OCO3)CC2 ZINC000069667830 500610077 /nfs/dbraw/zinc/61/00/77/500610077.db2.gz MNCWHFBTBDDXSD-CYBMUJFWSA-N 1 0 344.415 1.943 50 0 EDAARO COc1cc(C)ccc1OCCC(=O)NCCN1CC[NH+](C)CC1 ZINC000079122013 518131009 /nfs/dbraw/zinc/13/10/09/518131009.db2.gz CCQPYGQOZRWDMR-UHFFFAOYSA-N 1 0 335.448 1.136 50 0 EDAARO C[C@@H]1CN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C[C@H](C)[NH2+]1 ZINC000154126680 534435368 /nfs/dbraw/zinc/43/53/68/534435368.db2.gz RNDFBYVOMRSRPU-TXEJJXNPSA-N 1 0 343.383 1.935 50 0 EDAARO O=C(NCCc1nc2cc(Cl)ccc2s1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269206237 526459248 /nfs/dbraw/zinc/45/92/48/526459248.db2.gz LGJMGNLPAVVIEN-GXSJLCMTSA-N 1 0 325.821 1.331 50 0 EDAARO CCCc1cnc(C)nc1N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000230083865 535437107 /nfs/dbraw/zinc/43/71/07/535437107.db2.gz XYWPURFCCVRAJB-LJQANCHMSA-N 1 0 345.491 1.870 50 0 EDAARO CCOc1ccc2cc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)[nH]c2c1 ZINC000116785592 590710519 /nfs/dbraw/zinc/71/05/19/590710519.db2.gz DTHPEDOSTNSKKA-OAHLLOKOSA-N 1 0 331.416 1.969 50 0 EDAARO Cc1ccccc1OC[C@H](O)CN1CC[NH+](CCCCCO)CC1 ZINC000864091112 596752872 /nfs/dbraw/zinc/75/28/72/596752872.db2.gz LLGGZUZIGPBCAT-GOSISDBHSA-N 1 0 336.476 1.515 50 0 EDAARO O=C([O-])c1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H](O)C2)c1 ZINC000097619352 219041704 /nfs/dbraw/zinc/04/17/04/219041704.db2.gz VCILEAGNHGWQEN-QGZVFWFLSA-N 1 0 327.384 1.463 50 0 EDAARO C[C@H]1CCC[N@H+](CCCNC(=O)CNC(=O)Cc2cccc(F)c2)C1 ZINC000053154587 214166023 /nfs/dbraw/zinc/16/60/23/214166023.db2.gz LFTVIYAACJKKJF-HNNXBMFYSA-N 1 0 349.450 1.723 50 0 EDAARO NC(=O)CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000053420488 214183162 /nfs/dbraw/zinc/18/31/62/214183162.db2.gz WQZGZGMKJPMXIL-UHFFFAOYSA-N 1 0 332.267 1.504 50 0 EDAARO C[NH+]1CCN(CCNC(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000053717947 214195084 /nfs/dbraw/zinc/19/50/84/214195084.db2.gz KVPAUEJTLPFDSX-UHFFFAOYSA-N 1 0 339.823 1.088 50 0 EDAARO CCCNC(=O)c1ccc(NC(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)cc1 ZINC000097698607 219049185 /nfs/dbraw/zinc/04/91/85/219049185.db2.gz FATBXAYZDIOHSN-CVEARBPZSA-N 1 0 348.447 1.355 50 0 EDAARO Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(CC[NH+](C)C)CC2)c1 ZINC000055035705 214265719 /nfs/dbraw/zinc/26/57/19/214265719.db2.gz UZBLYOZNISSCBO-KRWDZBQOSA-N 1 0 333.476 1.777 50 0 EDAARO COc1cc2c(cc1CN1CC[NH+](C3CCOCC3)CC1)OCO2 ZINC000097745134 219053437 /nfs/dbraw/zinc/05/34/37/219053437.db2.gz MKULUGAMVSLRJF-UHFFFAOYSA-N 1 0 334.416 1.721 50 0 EDAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc2nnnn2c1 ZINC000097743516 219053469 /nfs/dbraw/zinc/05/34/69/219053469.db2.gz GHMMXJGBSHGUFP-HNNXBMFYSA-N 1 0 336.399 1.344 50 0 EDAARO Cc1ccc(OCCc2nnc(NC(=O)[C@@H]3C=CC[NH2+]3)s2)cc1 ZINC000055052824 214267578 /nfs/dbraw/zinc/26/75/78/214267578.db2.gz GCSLCDDZEYFYTR-ZDUSSCGKSA-N 1 0 330.413 1.935 50 0 EDAARO Cc1cccc(NC(=O)CC(=O)NCC[N@@H+]2CCC[C@@H](O)C2)c1C ZINC000055211685 214289771 /nfs/dbraw/zinc/28/97/71/214289771.db2.gz RXXJQXZMDDPMMW-OAHLLOKOSA-N 1 0 333.432 1.205 50 0 EDAARO O=C(CC[NH+]1CCCCCCC1)NCCS(=O)(=O)N1CCCC1 ZINC000055245146 214295572 /nfs/dbraw/zinc/29/55/72/214295572.db2.gz IXGCAUYNTAGJHN-UHFFFAOYSA-N 1 0 345.509 1.184 50 0 EDAARO Cc1cc[nH+]c(NCCNC(=O)CCNC(=O)c2ccccc2F)c1 ZINC000055255999 214297220 /nfs/dbraw/zinc/29/72/20/214297220.db2.gz ZFSIVHZYIMPEDJ-UHFFFAOYSA-N 1 0 344.390 1.877 50 0 EDAARO O=C(c1ccc(CSc2nc[nH]n2)o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000055384634 214315052 /nfs/dbraw/zinc/31/50/52/214315052.db2.gz ZGQZNVNWMZPGJB-NSHDSACASA-N 1 0 333.417 1.610 50 0 EDAARO CCOc1cc(C[NH2+][C@H](CC)CO)c(Cl)cc1OCC(N)=O ZINC000004670869 210243053 /nfs/dbraw/zinc/24/30/53/210243053.db2.gz ZJFRNJKGGKJCBR-LLVKDONJSA-N 1 0 330.812 1.463 50 0 EDAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1 ZINC000100833789 219108452 /nfs/dbraw/zinc/10/84/52/219108452.db2.gz OIAOBFQEZWKYEY-JKSUJKDBSA-N 1 0 332.400 1.876 50 0 EDAARO C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000048709870 213958257 /nfs/dbraw/zinc/95/82/57/213958257.db2.gz LFGWUOLJQVEHMA-ZDUSSCGKSA-N 1 0 344.415 1.616 50 0 EDAARO CCn1cnnc1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000047777775 213867662 /nfs/dbraw/zinc/86/76/62/213867662.db2.gz VHKVTIZUBCASBS-CQSZACIVSA-N 1 0 346.435 1.917 50 0 EDAARO CCn1nc(CCC(=O)NCC[NH+](CC)CC)c2ccccc2c1=O ZINC000004109122 210122016 /nfs/dbraw/zinc/12/20/16/210122016.db2.gz KSWNHXRJCAHPDD-UHFFFAOYSA-N 1 0 344.459 1.807 50 0 EDAARO C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1nncn1C ZINC000045813368 213759536 /nfs/dbraw/zinc/75/95/36/213759536.db2.gz VESXUMUCBXKYBJ-CYBMUJFWSA-N 1 0 346.435 1.316 50 0 EDAARO C[NH+](C)C[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(-c4cnco4)cc3)C[C@H]21 ZINC000102772416 219229436 /nfs/dbraw/zinc/22/94/36/219229436.db2.gz JTXCCLYSSJOTAC-PHZGNYQRSA-N 1 0 347.440 1.770 50 0 EDAARO C[NH+](C)[C@@H]1CN(c2nc(C3CC3)nc3[nH]ccc32)C[C@@H]1n1ccnn1 ZINC000685941056 539579283 /nfs/dbraw/zinc/57/92/83/539579283.db2.gz PGDGAZUZNCLGAN-KGLIPLIRSA-N 1 0 338.419 1.418 50 0 EDAARO O=C(NCc1ccncc1O[C@H]1CC[NH2+]C1)c1cn2ccccc2n1 ZINC000685940919 539580201 /nfs/dbraw/zinc/58/02/01/539580201.db2.gz KITHVSSBMVEWCT-AWEZNQCLSA-N 1 0 337.383 1.400 50 0 EDAARO NC(=O)c1cnc(C2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)[nH]1 ZINC000685941018 539580566 /nfs/dbraw/zinc/58/05/66/539580566.db2.gz NWYUUKXXDRMPHT-HNNXBMFYSA-N 1 0 346.406 1.431 50 0 EDAARO COc1ccc([C@H](CN2CC[NH+](C)CC2)Nc2ncccn2)cc1 ZINC000067448048 215148212 /nfs/dbraw/zinc/14/82/12/215148212.db2.gz QQMZXBJKQDWGRG-KRWDZBQOSA-N 1 0 327.432 1.886 50 0 EDAARO Cc1nc(N)ncc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067713763 215192309 /nfs/dbraw/zinc/19/23/09/215192309.db2.gz HWJCVCMESKXAFC-ZDUSSCGKSA-N 1 0 329.404 1.602 50 0 EDAARO CCN(Cc1nccn1C)C(=O)c1ccc(N2CC[C@@H](CO)C2)nc1 ZINC000067757534 215204554 /nfs/dbraw/zinc/20/45/54/215204554.db2.gz MMLSRKCDQSCYKU-CQSZACIVSA-N 1 0 343.431 1.296 50 0 EDAARO Cc1ccccc1CC(=O)NC[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000067818560 215219152 /nfs/dbraw/zinc/21/91/52/215219152.db2.gz JCGHUIYAIKPBNO-INIZCTEOSA-N 1 0 326.444 1.909 50 0 EDAARO CCCNc1ncc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cn1 ZINC000067881448 215239584 /nfs/dbraw/zinc/23/95/84/215239584.db2.gz KVRPHWVDDNPTAG-KRWDZBQOSA-N 1 0 346.435 1.109 50 0 EDAARO Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC2(CC[NH+](C)CC2)CC1 ZINC000067955119 215258793 /nfs/dbraw/zinc/25/87/93/215258793.db2.gz QMQFLNTULZMUAP-UHFFFAOYSA-N 1 0 340.493 1.913 50 0 EDAARO O=c1oc2ccccc2n1CC[NH2+]C[C@H](O)COc1ccccc1 ZINC000069153760 215364663 /nfs/dbraw/zinc/36/46/63/215364663.db2.gz GLKAVAHHYBHQGH-AWEZNQCLSA-N 1 0 328.368 1.624 50 0 EDAARO Cc1cccc2c(=O)n(CC(=O)NCC[NH+]3CCC(C)CC3)cnc12 ZINC000040539006 213342690 /nfs/dbraw/zinc/34/26/90/213342690.db2.gz KRTJRDPUGKIWPT-UHFFFAOYSA-N 1 0 342.443 1.553 50 0 EDAARO C[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000040527730 213336235 /nfs/dbraw/zinc/33/62/35/213336235.db2.gz KAJHBLPSPKIBQG-OLZOCXBDSA-N 1 0 339.461 1.184 50 0 EDAARO CCCNC(=O)NC(=O)C[NH2+]C(C)(C)c1ccc2c(c1)OCCO2 ZINC000069421412 215409937 /nfs/dbraw/zinc/40/99/37/215409937.db2.gz ZXGOXLJOXBHADD-UHFFFAOYSA-N 1 0 335.404 1.518 50 0 EDAARO CCC(CO)(CO)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000040162340 213276465 /nfs/dbraw/zinc/27/64/65/213276465.db2.gz AAQAFNPESQACTR-MRXNPFEDSA-N 1 0 339.476 1.755 50 0 EDAARO O=C(CC[NH+]1CCC(CO)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000069708391 215547905 /nfs/dbraw/zinc/54/79/05/215547905.db2.gz STYGZKBXEVYFEV-UHFFFAOYSA-N 1 0 347.459 1.556 50 0 EDAARO O=C([C@H]1CCC[NH2+]1)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000081644900 138267391 /nfs/dbraw/zinc/26/73/91/138267391.db2.gz WURWLSAOCPMTDM-GOEBONIOSA-N 1 0 327.428 1.881 50 0 EDAARO Cc1cc(S(=O)(=O)N2CCC[NH2+]CC2)ccc1Br ZINC000037463934 213148511 /nfs/dbraw/zinc/14/85/11/213148511.db2.gz KJRNOWIPILXIKA-UHFFFAOYSA-N 1 0 333.251 1.742 50 0 EDAARO C[NH+](C)CCNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000036367263 213092241 /nfs/dbraw/zinc/09/22/41/213092241.db2.gz IHXTYDVNXMAGSG-UHFFFAOYSA-N 1 0 336.395 1.677 50 0 EDAARO CC[NH+](CC)CCCNC(=O)Cn1cnc2oc(C)c(C)c2c1=O ZINC000035378331 213023929 /nfs/dbraw/zinc/02/39/29/213023929.db2.gz UGKKVNMOKWCJFF-UHFFFAOYSA-N 1 0 334.420 1.454 50 0 EDAARO C[NH+](C)C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000071846644 215876467 /nfs/dbraw/zinc/87/64/67/215876467.db2.gz JDVKROSZBDRMBW-UHFFFAOYSA-N 1 0 342.237 1.163 50 0 EDAARO [NH3+]CCCN1C(=O)CC[C@H]2CN(c3ncnc4sccc43)CC[C@H]21 ZINC000072462920 283432054 /nfs/dbraw/zinc/43/20/54/283432054.db2.gz HVATXEVKEIPVCS-GXTWGEPZSA-N 1 0 345.472 1.857 50 0 EDAARO C[C@@H](C(=O)NCc1nc(-c2cccnc2)n[nH]1)[NH+]1CCCCCC1 ZINC000095404231 237025564 /nfs/dbraw/zinc/02/55/64/237025564.db2.gz JOAFJJYDWXAEKN-ZDUSSCGKSA-N 1 0 328.420 1.747 50 0 EDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1 ZINC000072138836 216026273 /nfs/dbraw/zinc/02/62/73/216026273.db2.gz AVUCAADQDQKSDB-CQSZACIVSA-N 1 0 347.337 1.335 50 0 EDAARO CCCNC(=O)C(=O)N(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072144204 216030572 /nfs/dbraw/zinc/03/05/72/216030572.db2.gz XHJSRKAIKYOMQZ-QGZVFWFLSA-N 1 0 343.471 1.603 50 0 EDAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3nccn3Cc3ccccc3)C[C@H]2C[C@@H]1O ZINC000072156671 216045244 /nfs/dbraw/zinc/04/52/44/216045244.db2.gz FZAAPOIRGUGDQH-FZDBZEDMSA-N 1 0 327.428 1.495 50 0 EDAARO O=C(CCc1nc2ccccc2s1)NC[C@@]1(O)CCC[NH2+]CC1 ZINC000072164715 216053146 /nfs/dbraw/zinc/05/31/46/216053146.db2.gz OMWNOCOMCZRTHW-QGZVFWFLSA-N 1 0 333.457 1.850 50 0 EDAARO CC(C)c1nc2c(cnn2C)c(NCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000072171647 216063198 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COCCN1CCC[C@]2(CC[N@H+](Cc3[nH]nc(C)c3Cl)C2)C1=O ZINC000091966460 218097271 /nfs/dbraw/zinc/09/72/71/218097271.db2.gz UVLBFBPUYXVQKV-MRXNPFEDSA-N 1 0 340.855 1.832 50 0 EDAARO CCc1c(C)cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C3CC3)C2)c(=O)n1C ZINC000092038507 218109729 /nfs/dbraw/zinc/10/97/29/218109729.db2.gz CRVYUHRQUGMMEK-WBVHZDCISA-N 1 0 331.460 1.668 50 0 EDAARO CN1CC[C@]2(CN(CCOCc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000092061917 218112256 /nfs/dbraw/zinc/11/22/56/218112256.db2.gz CIQGWDKJPMKTHD-FQEVSTJZSA-N 1 0 345.487 1.832 50 0 EDAARO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000010339399 211167119 /nfs/dbraw/zinc/16/71/19/211167119.db2.gz BNWXBCAVKMXCRQ-CABCVRRESA-N 1 0 345.399 1.033 50 0 EDAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000095359454 218293071 /nfs/dbraw/zinc/29/30/71/218293071.db2.gz GDXUZRCHJFCGOH-OAHLLOKOSA-N 1 0 332.448 1.564 50 0 EDAARO Cc1ccccc1CC1(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000095357844 218292188 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COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC2(CCOCC2)CC1 ZINC000252492285 285021329 /nfs/dbraw/zinc/02/13/29/285021329.db2.gz MHIGCHHTGWGESO-MRXNPFEDSA-N 1 0 339.480 1.699 50 0 EDAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]1C[NH3+] ZINC000246602854 296398625 /nfs/dbraw/zinc/39/86/25/296398625.db2.gz QSXHOHAPUZXKHH-OCCSQVGLSA-N 1 0 340.445 1.596 50 0 EDAARO Cn1c(CC[NH3+])nnc1SC[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000426395137 254490428 /nfs/dbraw/zinc/49/04/28/254490428.db2.gz GQUBAXUXHUTDON-GFCCVEGCSA-N 1 0 331.445 1.462 50 0 EDAARO [NH3+]C1CCN(Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000263615472 257898976 /nfs/dbraw/zinc/89/89/76/257898976.db2.gz COVQCKUXOIJBOD-KRWDZBQOSA-N 1 0 331.395 1.612 50 0 EDAARO C[NH+]1CCC(C)(C(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1 ZINC000426503505 257965728 /nfs/dbraw/zinc/96/57/28/257965728.db2.gz MNQYKHJGXNJSTC-UHFFFAOYSA-N 1 0 342.447 1.110 50 0 EDAARO C[N@@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1 ZINC000245329459 258000221 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CO[C@]12CC[N@H+](Cc3cc(=O)n4c(C)cccc4n3)[C@H]1C[C@@H](O)CC2 ZINC000299798337 258102607 /nfs/dbraw/zinc/10/26/07/258102607.db2.gz QUOGDHACBWHNFH-TXPKVOOTSA-N 1 0 343.427 1.507 50 0 EDAARO C[NH+]1CCN(CCc2cn3ncnc3nc2-c2ccc(F)cc2)CC1 ZINC000020218657 258057235 /nfs/dbraw/zinc/05/72/35/258057235.db2.gz WVZHYJOBEBUHNT-UHFFFAOYSA-N 1 0 340.406 1.720 50 0 EDAARO O=C(C[N@H+](CCO)CC1CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000064516004 258062229 /nfs/dbraw/zinc/06/22/29/258062229.db2.gz OGVKZXQJHAIMJC-QGZVFWFLSA-N 1 0 331.460 1.333 50 0 EDAARO C[C@@H]1c2ccccc2CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333325677 141299827 /nfs/dbraw/zinc/29/98/27/141299827.db2.gz NOROPNQTLYHAFI-CYBMUJFWSA-N 1 0 338.415 1.995 50 0 EDAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000089948763 287179698 /nfs/dbraw/zinc/17/96/98/287179698.db2.gz IFUXJFUHUDJRCV-FRRDWIJNSA-N 1 0 335.370 1.386 50 0 EDAARO CC[NH+](CC)CCCN(C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000069596635 262533595 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C[C@H](NC(=O)Cn1cccn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000071853316 278236826 /nfs/dbraw/zinc/23/68/26/278236826.db2.gz WPYMCNIHZBGNGU-AWEZNQCLSA-N 1 0 345.422 1.651 50 0 EDAARO CC[NH+](CC)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000008345830 279099768 /nfs/dbraw/zinc/09/97/68/279099768.db2.gz JOSYJHUIWRJVFF-UHFFFAOYSA-N 1 0 342.461 1.858 50 0 EDAARO Cc1c(NC(=O)CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)cnn1C ZINC000244794997 280242691 /nfs/dbraw/zinc/24/26/91/280242691.db2.gz QXTPUQKETKGBLO-QGZVFWFLSA-N 1 0 341.459 1.656 50 0 EDAARO C[S@@](=O)C1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000253431157 300877922 /nfs/dbraw/zinc/87/79/22/300877922.db2.gz ZMRUURUQYDKTSS-IQMFZBJNSA-N 1 0 341.521 1.948 50 0 EDAARO Cc1cccnc1CNC(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000426387276 447431372 /nfs/dbraw/zinc/43/13/72/447431372.db2.gz LTVLWFLOYYSBRM-MRXNPFEDSA-N 1 0 332.448 1.786 50 0 EDAARO CCOC(=O)C1=C(O)NC(N2CCCCC2)=[NH+][C@H]1c1ccccc1 ZINC000002327232 440860006 /nfs/dbraw/zinc/86/00/06/440860006.db2.gz LRKQBHOIUNSART-CABCVRRESA-N 1 0 329.400 1.879 50 0 EDAARO OCC[NH+](CCO)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000002686796 440872503 /nfs/dbraw/zinc/87/25/03/440872503.db2.gz NHDFWJZTWPNQNJ-GSBYPIHSSA-N 1 0 341.492 1.257 50 0 EDAARO O=C(CN1CCC[C@@H](O)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000044871143 440896208 /nfs/dbraw/zinc/89/62/08/440896208.db2.gz OGZZYWMKZSRLSA-GOSISDBHSA-N 1 0 331.460 1.224 50 0 EDAARO CCOc1ncccc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000044911317 440908500 /nfs/dbraw/zinc/90/85/00/440908500.db2.gz HMZWQUNFMFBFFK-OAHLLOKOSA-N 1 0 333.432 1.807 50 0 EDAARO Cn1ncc(C(=O)NCCCC[NH+]2CCOCC2)c1-n1cccc1 ZINC000044952679 440923833 /nfs/dbraw/zinc/92/38/33/440923833.db2.gz JZSMKCJYIUDQFZ-UHFFFAOYSA-N 1 0 331.420 1.053 50 0 EDAARO C[N@H+](CCCN1C(=O)CNC1=O)Cc1ccc(Br)cc1 ZINC000044979178 440935702 /nfs/dbraw/zinc/93/57/02/440935702.db2.gz YNADFNHSVJGKHU-UHFFFAOYSA-N 1 0 340.221 1.823 50 0 EDAARO COc1ccc(OC)c(CN2CCN(c3cc(C)[nH+]c(N)n3)CC2)c1 ZINC000045724030 441024024 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CC1(C)Cc2nc3ncn(CC[NH+]4CCCC4)c(=O)c3cc2CO1 ZINC000013693162 441164518 /nfs/dbraw/zinc/16/45/18/441164518.db2.gz UYUOFJPLFYVWTL-UHFFFAOYSA-N 1 0 328.416 1.739 50 0 EDAARO [NH2+]=C1c2ccccc2CN1NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000102231897 441166664 /nfs/dbraw/zinc/16/66/64/441166664.db2.gz XGFCXPSGEMCNCM-UHFFFAOYSA-N 1 0 333.355 1.212 50 0 EDAARO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000058294564 441174172 /nfs/dbraw/zinc/17/41/72/441174172.db2.gz LTVCGTYIRLRUJE-NSHDSACASA-N 1 0 342.440 1.067 50 0 EDAARO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1nncn1C ZINC000047332299 441177572 /nfs/dbraw/zinc/17/75/72/441177572.db2.gz QIWUAMBMELFGCR-AWEZNQCLSA-N 1 0 342.447 1.840 50 0 EDAARO C[NH+](C)Cc1ccc(N2CCN(CCOCC(F)(F)F)CC2)nc1 ZINC000071875049 441178999 /nfs/dbraw/zinc/17/89/99/441178999.db2.gz NGWQYTXRHXIPCY-UHFFFAOYSA-N 1 0 346.397 1.844 50 0 EDAARO Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000071875041 441179118 /nfs/dbraw/zinc/17/91/18/441179118.db2.gz IHOXSUAGIRKKQN-NEPJUHHUSA-N 1 0 346.460 1.935 50 0 EDAARO Cc1cnn(CC2CCN(C[C@@H](O)C[NH+]3CCC(C)CC3)CC2)c1 ZINC000071877025 441180353 /nfs/dbraw/zinc/18/03/53/441180353.db2.gz YFPJCYJHUILUIK-IBGZPJMESA-N 1 0 334.508 1.996 50 0 EDAARO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000071878721 441181537 /nfs/dbraw/zinc/18/15/37/441181537.db2.gz KVPCVLYFLQZQHO-KRWDZBQOSA-N 1 0 345.422 1.930 50 0 EDAARO COC(=O)N1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000071882448 441183461 /nfs/dbraw/zinc/18/34/61/441183461.db2.gz AETAENDGZQRENH-INIZCTEOSA-N 1 0 333.432 1.460 50 0 EDAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000058377594 441187452 /nfs/dbraw/zinc/18/74/52/441187452.db2.gz SIONNRZICYQZQH-ZIAGYGMSSA-N 1 0 328.420 1.513 50 0 EDAARO C[NH+](C)Cc1cccc(CCNC(=O)c2ccc(C(N)=O)cc2)c1 ZINC000071896224 441187902 /nfs/dbraw/zinc/18/79/02/441187902.db2.gz ONOLSINMDHQMDB-UHFFFAOYSA-N 1 0 325.412 1.820 50 0 EDAARO COc1ccccc1C/C(C)=C\C(=O)NCCN1CC[NH+](C)CC1 ZINC000104090002 441189345 /nfs/dbraw/zinc/18/93/45/441189345.db2.gz QTPYZXACEXVYSF-NXVVXOECSA-N 1 0 331.460 1.548 50 0 EDAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3cnccn3)CC2)C1)N1CCCC1 ZINC000071753422 441151906 /nfs/dbraw/zinc/15/19/06/441151906.db2.gz LHOQXBWRJOHBEZ-INIZCTEOSA-N 1 0 343.475 1.780 50 0 EDAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCc2cnc(C)cn2)[nH]1 ZINC000071759777 441152481 /nfs/dbraw/zinc/15/24/81/441152481.db2.gz GECMLDMXENVVGE-GJZGRUSLSA-N 1 0 342.447 1.341 50 0 EDAARO COCCn1nc(C)c(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1C ZINC000101386377 441155602 /nfs/dbraw/zinc/15/56/02/441155602.db2.gz ZKIVBFSJDUHFES-INIZCTEOSA-N 1 0 347.463 1.302 50 0 EDAARO NC(=O)[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071826980 441162143 /nfs/dbraw/zinc/16/21/43/441162143.db2.gz PNMBTIRFKWWPNL-QGZVFWFLSA-N 1 0 344.459 1.415 50 0 EDAARO CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1CCC[NH+](C)C ZINC000016756365 441232277 /nfs/dbraw/zinc/23/22/77/441232277.db2.gz YSVMAHWZCNCBQH-UHFFFAOYSA-N 1 0 334.445 1.729 50 0 EDAARO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000071907370 441191944 /nfs/dbraw/zinc/19/19/44/441191944.db2.gz FCCQUVUISLGJMM-HZPDHXFCSA-N 1 0 326.462 1.590 50 0 EDAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(C)C2=O)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000015319818 441199946 /nfs/dbraw/zinc/19/99/46/441199946.db2.gz LNDDHBCAIXTWCG-WGDDSDEBSA-N 1 0 341.411 1.107 50 0 EDAARO COCCOc1cccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000072269534 441213673 /nfs/dbraw/zinc/21/36/73/441213673.db2.gz XEYGCZKBVLNERA-QZTJIDSGSA-N 1 0 348.443 1.383 50 0 EDAARO Cc1ccc(OC[C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000072274049 441216000 /nfs/dbraw/zinc/21/60/00/441216000.db2.gz GUJCZTKFQGUPAV-JZXOWHBKSA-N 1 0 347.459 1.925 50 0 EDAARO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(F)cc3)o2)C[C@@H]1C ZINC000072279642 441218549 /nfs/dbraw/zinc/21/85/49/441218549.db2.gz HGCZKSVUDJNBOP-QWHCGFSZSA-N 1 0 334.395 1.763 50 0 EDAARO CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)CC(C)(C)O ZINC000072284589 441219955 /nfs/dbraw/zinc/21/99/55/441219955.db2.gz MNPMJTGPSUPURD-CYBMUJFWSA-N 1 0 333.432 1.843 50 0 EDAARO Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000072289420 441222388 /nfs/dbraw/zinc/22/23/88/441222388.db2.gz MBDCDSLDWKEAPV-ZDUSSCGKSA-N 1 0 343.435 1.823 50 0 EDAARO Cc1ccc(NC2=N[C@@]3(NC(=[NH2+])N2)c2ccccc2N(C)C3=O)cc1C ZINC000019325474 441256372 /nfs/dbraw/zinc/25/63/72/441256372.db2.gz HAOTZZLQDYJSCE-IBGZPJMESA-N 1 0 348.410 1.819 50 0 EDAARO CCC[NH+]1CCN(CCCn2c(=O)c3cccnc3[nH]c2=S)CC1 ZINC000020618253 441265100 /nfs/dbraw/zinc/26/51/00/441265100.db2.gz LAYLETJJERUAGL-UHFFFAOYSA-N 1 0 347.488 1.498 50 0 EDAARO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1CCOc2ccccc21 ZINC000061954597 441292778 /nfs/dbraw/zinc/29/27/78/441292778.db2.gz HEPMKFPOSCGUOF-ZBFHGGJFSA-N 1 0 333.432 1.656 50 0 EDAARO O=c1[nH]c(NCC2(c3ccccc3)CCOCC2)nc2c1CC[NH2+]C2 ZINC000082097828 441332160 /nfs/dbraw/zinc/33/21/60/441332160.db2.gz MULBJTCVBMLMPV-UHFFFAOYSA-N 1 0 340.427 1.576 50 0 EDAARO C[NH+](C)[C@H]1CCCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000082099671 441333647 /nfs/dbraw/zinc/33/36/47/441333647.db2.gz LHTASCICFYFPGY-HNNXBMFYSA-N 1 0 338.473 1.575 50 0 EDAARO CCC[C@@H](C)C[N@@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000082161327 441337733 /nfs/dbraw/zinc/33/77/33/441337733.db2.gz UVDBCKRASFLIAI-CYBMUJFWSA-N 1 0 328.482 1.574 50 0 EDAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCNC(=O)[C@@H]2C)C1 ZINC000106910041 441388558 /nfs/dbraw/zinc/38/85/58/441388558.db2.gz ZPNFBLQOGKIMBQ-YCPHGPKFSA-N 1 0 330.432 1.352 50 0 EDAARO Cc1cc(C(=O)NCCN2CC[N@H+](C)C[C@H]2c2ccccc2)n(C)n1 ZINC000106571461 441357679 /nfs/dbraw/zinc/35/76/79/441357679.db2.gz CQDMCTFDVQCUQO-SFHVURJKSA-N 1 0 341.459 1.447 50 0 EDAARO O[C@@]1(CNCc2noc(-c3ccco3)n2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063846652 441357882 /nfs/dbraw/zinc/35/78/82/441357882.db2.gz NLVKPYVEWKMADI-RHSMWYFYSA-N 1 0 332.404 1.799 50 0 EDAARO O[C@H](C[NH2+][C@@H]1CCCN(c2cccnn2)C1)COCc1ccco1 ZINC000106785490 441370344 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C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(N)c(N)c3)cc2)CC1 ZINC000040449969 213305123 /nfs/dbraw/zinc/30/51/23/213305123.db2.gz ABNDPWQYZRTOQX-UHFFFAOYSA-N 1 0 339.443 1.851 50 0 EDAARO C[NH+](C)CCCn1c2sc3c(c2c(N)nc1=O)CC(C)(C)OC3 ZINC000040285499 213287950 /nfs/dbraw/zinc/28/79/50/213287950.db2.gz HVLYQUVJSQKBRR-UHFFFAOYSA-N 1 0 336.461 1.843 50 0 EDAARO Cc1cc(CN2CC[NH+](CCC(=O)NC3CCCCC3)CC2)no1 ZINC000039538169 213239924 /nfs/dbraw/zinc/23/99/24/213239924.db2.gz HQHNAYMTVJFPNK-UHFFFAOYSA-N 1 0 334.464 1.940 50 0 EDAARO COCC[NH+]1CCC(CNC(=O)NCc2ccc(OC)cc2)CC1 ZINC000038489558 213210798 /nfs/dbraw/zinc/21/07/98/213210798.db2.gz OGLSJZLXNYFLEI-UHFFFAOYSA-N 1 0 335.448 1.853 50 0 EDAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCc2ccsc2)CC1 ZINC000069562240 283320109 /nfs/dbraw/zinc/32/01/09/283320109.db2.gz UJRNGVPZUXCNGL-HNNXBMFYSA-N 1 0 335.473 1.621 50 0 EDAARO CC[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000071376439 215765139 /nfs/dbraw/zinc/76/51/39/215765139.db2.gz 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CCOCc1nc2c(c(N3CCOC4(CCCC4)C3)n1)CC[NH2+]CC2 ZINC000072409795 216200903 /nfs/dbraw/zinc/20/09/03/216200903.db2.gz DJUXIKQHCGEZRE-UHFFFAOYSA-N 1 0 346.475 1.851 50 0 EDAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)NC[C@H]1OCCc2ccccc21 ZINC000072407016 216198803 /nfs/dbraw/zinc/19/88/03/216198803.db2.gz PYQUJMVURIORAX-GOSISDBHSA-N 1 0 340.427 1.349 50 0 EDAARO [NH3+]CCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072424649 216215036 /nfs/dbraw/zinc/21/50/36/216215036.db2.gz PTPFXUVJVYJVNL-LJQANCHMSA-N 1 0 344.459 1.552 50 0 EDAARO COC(=O)c1ccc(C)c(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)c1 ZINC000072427944 216219242 /nfs/dbraw/zinc/21/92/42/216219242.db2.gz WABMBLWSJGUWKH-UHFFFAOYSA-N 1 0 337.383 1.934 50 0 EDAARO c1cnc(N2CCC[C@@H](Nc3ncnc4c3CC[NH2+]CC4)C2)nc1 ZINC000072426826 216218176 /nfs/dbraw/zinc/21/81/76/216218176.db2.gz BXCXOUITEXZMAQ-CYBMUJFWSA-N 1 0 325.420 1.036 50 0 EDAARO Cc1ccccc1NC(=O)N1CCN(C[C@]2(O)CCC[NH2+]C2)CC1 ZINC000072431558 216224696 /nfs/dbraw/zinc/22/46/96/216224696.db2.gz 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COCCn1c(Cn2cnnc2C(C)(C)C)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222997663 241589534 /nfs/dbraw/zinc/58/95/34/241589534.db2.gz MGRXLAGFUYPRGR-TXEJJXNPSA-N 1 0 333.440 1.067 50 0 EDAARO Cc1nnsc1C(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225567389 241932593 /nfs/dbraw/zinc/93/25/93/241932593.db2.gz GWEATCAVKGCWII-LBPRGKRZSA-N 1 0 326.491 1.794 50 0 EDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(c2ccccn2)CC1 ZINC000229184462 242150883 /nfs/dbraw/zinc/15/08/83/242150883.db2.gz PSPXABQLXSCWIM-IRXDYDNUSA-N 1 0 343.475 1.976 50 0 EDAARO O=C(Nc1ccc(N2CCOCC2)nc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229750116 242196693 /nfs/dbraw/zinc/19/66/93/242196693.db2.gz OWEJWOOMAYMABS-HOTGVXAUSA-N 1 0 345.447 1.667 50 0 EDAARO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229923126 242215522 /nfs/dbraw/zinc/21/55/22/242215522.db2.gz CFEXIWDKBHPIAF-NEPJUHHUSA-N 1 0 343.353 1.866 50 0 EDAARO c1nn(-c2ccccc2)nc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000230067957 242226377 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Cn1c(Br)c(Br)cc1C(=O)NCC[NH3+] ZINC000020282190 212115564 /nfs/dbraw/zinc/11/55/64/212115564.db2.gz CTPZYAIWMMFGQE-UHFFFAOYSA-N 1 0 325.004 1.239 50 0 EDAARO CC(C)=CC[N@@H+]1CCN(Cc2cccc(OCCO)c2)C[C@@H]1CCO ZINC000019794913 212069340 /nfs/dbraw/zinc/06/93/40/212069340.db2.gz NJXAFCOASJERIY-IBGZPJMESA-N 1 0 348.487 1.893 50 0 EDAARO OCC[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000019792113 212067576 /nfs/dbraw/zinc/06/75/76/212067576.db2.gz DZCHFVJAMAYGHB-UHFFFAOYSA-N 1 0 337.221 1.507 50 0 aggregator EDAARO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000078331376 217040933 /nfs/dbraw/zinc/04/09/33/217040933.db2.gz UXPIQHMNZVXIBY-SIGJXTPFSA-N 1 0 341.521 1.850 50 0 EDAARO CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](N(C)Cc3nnc(C)o3)C2)c1 ZINC000078891387 217140773 /nfs/dbraw/zinc/14/07/73/217140773.db2.gz ODIBPLSDUZLVQB-MRXNPFEDSA-N 1 0 343.431 1.444 50 0 EDAARO COc1ccccc1OCC[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900511 217143680 /nfs/dbraw/zinc/14/36/80/217143680.db2.gz NBKALRGJXAINHC-ZDUSSCGKSA-N 1 0 344.415 1.776 50 0 EDAARO CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000079014128 217174903 /nfs/dbraw/zinc/17/49/03/217174903.db2.gz SVJHDSZWDJDMNQ-INIZCTEOSA-N 1 0 325.478 1.527 50 0 EDAARO COCC[NH+]1CCC(NC(=O)c2ccccc2N2CCOCC2)CC1 ZINC000079338379 217211742 /nfs/dbraw/zinc/21/17/42/217211742.db2.gz LIMBBQGELVNOEI-UHFFFAOYSA-N 1 0 347.459 1.364 50 0 EDAARO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C2)n1 ZINC000237741244 139059206 /nfs/dbraw/zinc/05/92/06/139059206.db2.gz JNNALBQWOFLBKV-RBSFLKMASA-N 1 0 330.432 1.695 50 0 EDAARO CC(=O)Nc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000081037252 217354692 /nfs/dbraw/zinc/35/46/92/217354692.db2.gz OJLVVAZEGBOSIA-UHFFFAOYSA-N 1 0 331.416 1.582 50 0 EDAARO CNC(=O)CC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000245440121 139075016 /nfs/dbraw/zinc/07/50/16/139075016.db2.gz UFFDNGOYWSKQDS-LSDHHAIUSA-N 1 0 338.496 1.665 50 0 EDAARO C[NH+]1CCN(c2ccc(Nc3nc4c(c(=O)[nH]3)CCC4)cc2)CC1 ZINC000011991370 211276061 /nfs/dbraw/zinc/27/60/61/211276061.db2.gz XDBICKRQQOXXMG-UHFFFAOYSA-N 1 0 325.416 1.754 50 0 EDAARO C[N@@H+]1CCN(Cc2cccnc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091624986 218033203 /nfs/dbraw/zinc/03/32/03/218033203.db2.gz PFEUNNBGHFKXPW-FQEVSTJZSA-N 1 0 342.487 1.990 50 0 EDAARO CCN1CC[C@@]2(CN(c3nc(C)cc(C)n3)CC[N@@H+]2C)CCC1=O ZINC000091621523 218033579 /nfs/dbraw/zinc/03/35/79/218033579.db2.gz XHDHLIAQLKIXHU-GOSISDBHSA-N 1 0 331.464 1.616 50 0 EDAARO COCc1cc(C[N@@H+]2C[C@H](NC(=O)CO)[C@@H](C3CC3)C2)ccc1OC ZINC000091626033 218034208 /nfs/dbraw/zinc/03/42/08/218034208.db2.gz MVBVRRSQDUUKOM-SJORKVTESA-N 1 0 348.443 1.161 50 0 EDAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1cccc(Cn2cccn2)c1 ZINC000091505216 218015215 /nfs/dbraw/zinc/01/52/15/218015215.db2.gz GGHOZFVHOGVXPT-SFHVURJKSA-N 1 0 342.443 1.508 50 0 EDAARO C[N@@H+]1CCN(c2ncccn2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091596053 218029684 /nfs/dbraw/zinc/02/96/84/218029684.db2.gz WIENZKRCJTVCEG-SFHVURJKSA-N 1 0 329.448 1.390 50 0 EDAARO Cc1cc(C)n(CC[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)c(=O)n1 ZINC000091664456 218043205 /nfs/dbraw/zinc/04/32/05/218043205.db2.gz FESMIJCJGOGZSB-UHFFFAOYSA-N 1 0 342.374 1.631 50 0 EDAARO C[N@@H+]1CCCN(CC(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091725257 218054922 /nfs/dbraw/zinc/05/49/22/218054922.db2.gz MGZREZRQQJXVGE-LJQANCHMSA-N 1 0 345.487 1.207 50 0 EDAARO COc1ccc(C(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1C ZINC000091934994 218091826 /nfs/dbraw/zinc/09/18/26/218091826.db2.gz RSKURTXQAPGOJF-IBGZPJMESA-N 1 0 345.443 1.430 50 0 EDAARO COCC[N@H+](C)C[C@@H]1CN(c2noc(-c3ccccc3)n2)C[C@@H]1CO ZINC000091846618 218076244 /nfs/dbraw/zinc/07/62/44/218076244.db2.gz RKHCHDGNGYBQTD-HZPDHXFCSA-N 1 0 346.431 1.360 50 0 EDAARO CC(C)=CC(=O)N1CC[C@@]2(O)CC[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC000091871556 218080627 /nfs/dbraw/zinc/08/06/27/218080627.db2.gz ADTLYDNWKPLLGH-HKUYNNGSSA-N 1 0 329.444 1.833 50 0 EDAARO COc1ccc(C(=O)[C@@H]2CCCN(C(=O)C3([NH3+])CC3)C2)c(OC)c1 ZINC000091997697 218100844 /nfs/dbraw/zinc/10/08/44/218100844.db2.gz WXGFTTOINZIQLE-GFCCVEGCSA-N 1 0 332.400 1.616 50 0 EDAARO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC000092022127 218105942 /nfs/dbraw/zinc/10/59/42/218105942.db2.gz CLZQROZZEINAGW-HZPDHXFCSA-N 1 0 332.444 1.867 50 0 EDAARO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1)NCc1ccccc1 ZINC000095360142 218293414 /nfs/dbraw/zinc/29/34/14/218293414.db2.gz CMLKILKSOOQORV-ZWKOTPCHSA-N 1 0 341.455 1.636 50 0 EDAARO O=C(CCCc1cn[nH]c1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095362125 218295001 /nfs/dbraw/zinc/29/50/01/218295001.db2.gz XOTHJILQKRIMIX-FUHWJXTLSA-N 1 0 346.475 1.834 50 0 EDAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000095380166 218312389 /nfs/dbraw/zinc/31/23/89/218312389.db2.gz FJZPKQREKJRNRF-OAHLLOKOSA-N 1 0 337.431 1.835 50 0 EDAARO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)no1 ZINC000008864203 211013714 /nfs/dbraw/zinc/01/37/14/211013714.db2.gz DMJIJHMLJWRGST-CYBMUJFWSA-N 1 0 348.428 1.936 50 0 EDAARO C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000095403762 218338740 /nfs/dbraw/zinc/33/87/40/218338740.db2.gz LALCHDJRLHITJG-NVXWUHKLSA-N 1 0 338.473 1.702 50 0 EDAARO CC(C)C[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C(=O)Nc1cc[nH]n1 ZINC000095415217 218353412 /nfs/dbraw/zinc/35/34/12/218353412.db2.gz CMAWHQZUHIELNO-LSDHHAIUSA-N 1 0 349.479 1.857 50 0 EDAARO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000097026895 218918831 /nfs/dbraw/zinc/91/88/31/218918831.db2.gz PAQCVXHJJXTJCJ-GHRIWEEISA-N 1 0 340.431 1.532 50 0 EDAARO C[NH+]1CCC(O)(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)CC1 ZINC000097334275 219013146 /nfs/dbraw/zinc/01/31/46/219013146.db2.gz DRFBARAZJTXWHA-QGZVFWFLSA-N 1 0 342.443 1.587 50 0 EDAARO Nc1ncccc1C[N@@H+]1CCN(c2nccc3ccccc32)C[C@@H](O)C1 ZINC000097522138 219032072 /nfs/dbraw/zinc/03/20/72/219032072.db2.gz JPZNDQRSGOQBKQ-KRWDZBQOSA-N 1 0 349.438 1.895 50 0 EDAARO CC[N@@H+]1CCC[C@@H](CN2CCn3nc(CNC(=O)N(C)C)cc3C2)C1 ZINC000082099599 285228551 /nfs/dbraw/zinc/22/85/51/285228551.db2.gz ZEWGRMLNJUKEBH-OAHLLOKOSA-N 1 0 348.495 1.202 50 0 EDAARO Cc1ccccc1NC(=O)N1C[C@@H](O)[C@H]([NH2+][C@H]2CC[C@H](O)CC2)C1 ZINC000243892591 258000605 /nfs/dbraw/zinc/00/06/05/258000605.db2.gz AJJMWZKBFMQCNG-MUIFIZLQSA-N 1 0 333.432 1.465 50 0 EDAARO CN(C[C@H]1CC(=O)N(C)C1)C(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000299770987 258083574 /nfs/dbraw/zinc/08/35/74/258083574.db2.gz UBBQFHDRYDIGOT-LBPRGKRZSA-N 1 0 337.395 1.104 50 0 EDAARO Cc1cc(N)n(CC(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000299772264 258084771 /nfs/dbraw/zinc/08/47/71/258084771.db2.gz ULNLTPLAMLTFGR-QGZVFWFLSA-N 1 0 341.459 1.802 50 0 EDAARO Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000299781202 258090267 /nfs/dbraw/zinc/09/02/67/258090267.db2.gz WNKHBZRSFXMQHJ-HNNXBMFYSA-N 1 0 334.464 1.826 50 0 EDAARO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(C2CCCCC2)C(=O)C1 ZINC000299784073 258091953 /nfs/dbraw/zinc/09/19/53/258091953.db2.gz IPBUOYRXVOJFAG-KRWDZBQOSA-N 1 0 345.443 1.266 50 0 EDAARO Cc1nc(C[N@@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)n(C)c1C ZINC000299801694 258104919 /nfs/dbraw/zinc/10/49/19/258104919.db2.gz YESMVQURILDMMI-DFGXFYAUSA-N 1 0 335.448 1.025 50 0 EDAARO Cc1cc(NCC2([NH+]3CCOCC3)CCCCC2)n2ncnc2n1 ZINC000057584454 258061783 /nfs/dbraw/zinc/06/17/83/258061783.db2.gz XUTLWYBFIMWAMK-UHFFFAOYSA-N 1 0 330.436 1.880 50 0 EDAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cn2)CC1 ZINC000054910734 132192718 /nfs/dbraw/zinc/19/27/18/132192718.db2.gz ALOKVFIWYTVWNT-UHFFFAOYSA-N 1 0 336.399 1.962 50 0 EDAARO Cc1ccnc(N2CCC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)n1 ZINC000035454228 132390288 /nfs/dbraw/zinc/39/02/88/132390288.db2.gz XQBRDKWSKWJGMY-INIZCTEOSA-N 1 0 331.464 1.604 50 0 EDAARO CN(C(=O)c1ccc(CNC(N)=O)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416332907 304310238 /nfs/dbraw/zinc/31/02/38/304310238.db2.gz JFCQFQRQTPQDSF-UHFFFAOYSA-N 1 0 332.448 1.801 50 0 EDAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1ccnn1C ZINC000408473533 158372573 /nfs/dbraw/zinc/37/25/73/158372573.db2.gz RPBOXKTWARMUAE-CRAIPNDOSA-N 1 0 326.444 1.847 50 0 EDAARO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000044869553 275938749 /nfs/dbraw/zinc/93/87/49/275938749.db2.gz UKQCFUJWFFKPQW-HNNXBMFYSA-N 1 0 345.509 1.039 50 0 EDAARO CN1CCN2CCN(C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1=O ZINC000065532180 277115595 /nfs/dbraw/zinc/11/55/95/277115595.db2.gz KKTWFXUZOIQLPV-LJQANCHMSA-N 1 0 342.487 1.109 50 0 EDAARO Cc1c(C(=O)N(C)C[C@]2(C)CC[N@H+](C)C2)cnn1-c1ccccn1 ZINC000071754498 280204041 /nfs/dbraw/zinc/20/40/41/280204041.db2.gz XTDMBLILYBAGFV-GOSISDBHSA-N 1 0 327.432 1.990 50 0 EDAARO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccccc2N2CCOCC2)C1 ZINC000290036530 288826014 /nfs/dbraw/zinc/82/60/14/288826014.db2.gz FKNFTBWVWWGIEA-OAHLLOKOSA-N 1 0 338.473 1.438 50 0 EDAARO Cc1c[nH+]ccc1NCCNC(=O)CCS(=O)(=O)c1ccccc1 ZINC000244874815 292984247 /nfs/dbraw/zinc/98/42/47/292984247.db2.gz XHRKKVVTWZMJTE-UHFFFAOYSA-N 1 0 347.440 1.782 50 0 EDAARO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 ZINC000017029022 302059530 /nfs/dbraw/zinc/05/95/30/302059530.db2.gz DHPOEPXCIQUBMS-SFIKBLTFSA-N 1 0 341.411 1.534 50 0 EDAARO O[C@]1(C[NH+]2CCCC2)COCCN(c2ncccc2C(F)(F)F)C1 ZINC000077408398 304843420 /nfs/dbraw/zinc/84/34/20/304843420.db2.gz WMIBHAFFMRNTRX-HNNXBMFYSA-N 1 0 345.365 1.764 50 0 EDAARO CCOC(=O)CCCC[C@@H](O)c1[nH]c(=O)[nH]c1C[NH+]1CCCCC1 ZINC000002784272 440876616 /nfs/dbraw/zinc/87/66/16/440876616.db2.gz JBXAVVCHDPZKBF-CQSZACIVSA-N 1 0 339.436 1.846 50 0 EDAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 ZINC000044910960 440908600 /nfs/dbraw/zinc/90/86/00/440908600.db2.gz OGTOANSXLGIOHY-HNNXBMFYSA-N 1 0 343.431 1.582 50 0 EDAARO O=c1oc2ccccc2n1CCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000044974432 440934136 /nfs/dbraw/zinc/93/41/36/440934136.db2.gz FASDBIRJKYOZSO-HNNXBMFYSA-N 1 0 331.416 1.391 50 0 EDAARO O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000008186152 441085380 /nfs/dbraw/zinc/08/53/80/441085380.db2.gz IAGUOTHEQDKUMC-MRXNPFEDSA-N 1 0 345.443 1.700 50 0 EDAARO c1ncn(-c2ccccc2C[NH2+][C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000069929842 441092386 /nfs/dbraw/zinc/09/23/86/441092386.db2.gz FSCMFXKRZIRRJR-MRXNPFEDSA-N 1 0 335.415 1.816 50 0 EDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000069951185 441096096 /nfs/dbraw/zinc/09/60/96/441096096.db2.gz GRCMGNAISZINTL-HNNXBMFYSA-N 1 0 348.422 1.867 50 0 EDAARO CC[NH+](CC)CCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O ZINC000012791053 441143808 /nfs/dbraw/zinc/14/38/08/441143808.db2.gz CRLUSYZBZLLWQD-UHFFFAOYSA-N 1 0 333.388 1.208 50 0 EDAARO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1S(C)(=O)=O ZINC000058017945 441147980 /nfs/dbraw/zinc/14/79/80/441147980.db2.gz OPJVDWIZALRETK-CQSZACIVSA-N 1 0 338.473 1.859 50 0 EDAARO CC(=O)NC1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000058268065 441168217 /nfs/dbraw/zinc/16/82/17/441168217.db2.gz RCPFHLTUQYAABO-UHFFFAOYSA-N 1 0 330.432 1.569 50 0 EDAARO CC(=O)N1CCC(C[N@@H+]2CCN(Cc3nccn3C)[C@@H](C)C2)CC1 ZINC000071863868 441173281 /nfs/dbraw/zinc/17/32/81/441173281.db2.gz ATFCHWBKGDFUHD-HNNXBMFYSA-N 1 0 333.480 1.185 50 0 EDAARO COc1cc(CNC(=O)c2ccccc2OCC[NH+](C)C)ccn1 ZINC000047297939 441174691 /nfs/dbraw/zinc/17/46/91/441174691.db2.gz ZIOCTAWZHTZZCL-UHFFFAOYSA-N 1 0 329.400 1.961 50 0 EDAARO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058304921 441176655 /nfs/dbraw/zinc/17/66/55/441176655.db2.gz HLUVOVKAWJPLTO-JKSUJKDBSA-N 1 0 330.432 1.571 50 0 EDAARO NC(=O)c1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000058310674 441177225 /nfs/dbraw/zinc/17/72/25/441177225.db2.gz ITDKBVCXWYSJSF-UHFFFAOYSA-N 1 0 328.416 1.354 50 0 EDAARO CN1N=C(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCC1=O ZINC000058331098 441180663 /nfs/dbraw/zinc/18/06/63/441180663.db2.gz OQRFXMODTUNSMM-UHFFFAOYSA-N 1 0 346.456 1.782 50 0 EDAARO O=C(C[N@H+](C1CC1)[C@@H]1CCc2ccccc21)N[C@@H]1CCCCNC1=O ZINC000058331660 441180714 /nfs/dbraw/zinc/18/07/14/441180714.db2.gz XLQFVXVOXZDEGJ-QZTJIDSGSA-N 1 0 341.455 1.923 50 0 EDAARO CCn1cc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)cn1 ZINC000058340992 441181612 /nfs/dbraw/zinc/18/16/12/441181612.db2.gz VHBLGRGOJFAROT-ZDUSSCGKSA-N 1 0 349.479 1.857 50 0 EDAARO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000058379947 441187342 /nfs/dbraw/zinc/18/73/42/441187342.db2.gz NJXRFNCIODRXHQ-MRXNPFEDSA-N 1 0 338.473 1.579 50 0 EDAARO CC(C)[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3Cl)CN2C1=O ZINC000014733627 441188285 /nfs/dbraw/zinc/18/82/85/441188285.db2.gz KKKWBYKDAPUMOF-AEGPPILISA-N 1 0 335.835 1.554 50 0 EDAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2C ZINC000014748591 441189254 /nfs/dbraw/zinc/18/92/54/441189254.db2.gz NBSAAMHWHUELEJ-UHFFFAOYSA-N 1 0 347.463 1.613 50 0 EDAARO COc1ccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000071768185 441153511 /nfs/dbraw/zinc/15/35/11/441153511.db2.gz RVPMCCVLCRXYGW-UHFFFAOYSA-N 1 0 345.443 1.641 50 0 EDAARO Cc1ccc([C@H](CNC(=O)c2nccnc2N)[NH+]2CCCC2)cc1 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CC[NH+]1CCC(NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)CC1 ZINC000082166178 441338391 /nfs/dbraw/zinc/33/83/91/441338391.db2.gz WFUCCFKGRNCCPG-UHFFFAOYSA-N 1 0 348.495 1.344 50 0 EDAARO Cc1nc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)sc1C ZINC000106868092 441381535 /nfs/dbraw/zinc/38/15/35/441381535.db2.gz KKXVEOZASNAIMU-WDEREUQCSA-N 1 0 326.466 1.085 50 0 EDAARO O=C1NCCN1C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000084398245 441398551 /nfs/dbraw/zinc/39/85/51/441398551.db2.gz CUOQBDIYLSGBBE-UHFFFAOYSA-N 1 0 325.416 1.862 50 0 EDAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000106910039 441389174 /nfs/dbraw/zinc/38/91/74/441389174.db2.gz ZPNFBLQOGKIMBQ-FMKPAKJESA-N 1 0 330.432 1.352 50 0 EDAARO C[C@H](C(=O)NCc1ccccc1Cl)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000106787425 441371681 /nfs/dbraw/zinc/37/16/81/441371681.db2.gz VHJRLJULHJEIBF-HIFRSBDPSA-N 1 0 339.867 1.607 50 0 EDAARO COCCn1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1=O ZINC000065285857 441414548 /nfs/dbraw/zinc/41/45/48/441414548.db2.gz 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Cc1cccc(C)c1-n1nnnc1CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000089688896 441570682 /nfs/dbraw/zinc/57/06/82/441570682.db2.gz WOIMHQWKOAFJBK-HZPDHXFCSA-N 1 0 344.463 1.166 50 0 EDAARO CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC000089893505 441591173 /nfs/dbraw/zinc/59/11/73/441591173.db2.gz ADQLKJSWHXGBMU-HNNXBMFYSA-N 1 0 346.435 1.513 50 0 EDAARO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000089954644 441603741 /nfs/dbraw/zinc/60/37/41/441603741.db2.gz QKPOJFUJSREPKN-HUUCEWRRSA-N 1 0 338.477 1.661 50 0 EDAARO CC[N@H+](C)[C@H](C(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1 ZINC000089960833 441605144 /nfs/dbraw/zinc/60/51/44/441605144.db2.gz QSEJVUMJCBGCFH-KRWDZBQOSA-N 1 0 344.459 1.696 50 0 EDAARO Cc1ccc(-c2ccc(=O)n(CCC(=O)NCC[NH+](C)C)n2)cc1 ZINC000041254520 441640923 /nfs/dbraw/zinc/64/09/23/441640923.db2.gz WALDVIAIVHZHTM-UHFFFAOYSA-N 1 0 328.416 1.287 50 0 EDAARO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000090797565 441643794 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Cc1cccc(-n2nc(Cn3cncn3)nc2[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000102645917 219218106 /nfs/dbraw/zinc/21/81/06/219218106.db2.gz HGNHBKRBABHPMO-HALDLXJZSA-N 1 0 335.415 1.457 50 0 EDAARO O=C(c1cn[nH]c1[C@H]1CCCC[NH2+]1)N1CCc2cc[nH]c(=O)c2C1 ZINC000685942912 539582675 /nfs/dbraw/zinc/58/26/75/539582675.db2.gz SXJARQHDUVMSEU-CQSZACIVSA-N 1 0 327.388 1.523 50 0 EDAARO C[NH+](C)CC(C)(C)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000003332270 210009990 /nfs/dbraw/zinc/00/99/90/210009990.db2.gz CYWZMQMHIWAUMP-GUYCJALGSA-N 1 0 344.521 1.889 50 0 EDAARO C[NH+]1CCN(Cc2ccccc2Oc2cncc(C(N)=O)n2)CC1 ZINC000067641582 215172330 /nfs/dbraw/zinc/17/23/30/215172330.db2.gz IUIIWELYLFODAD-UHFFFAOYSA-N 1 0 327.388 1.115 50 0 EDAARO COc1ccc2cc(C[NH+]3CCC(CNC(C)=O)CC3)c(=O)[nH]c2c1 ZINC000067713541 215191023 /nfs/dbraw/zinc/19/10/23/215191023.db2.gz CSXBWKLZPZWLIE-UHFFFAOYSA-N 1 0 343.427 1.885 50 0 EDAARO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2nncn2C)[NH+](C)C)cc1 ZINC000067704949 215191185 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CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC(CO)CC3)cnn2c1 ZINC000067855608 215233777 /nfs/dbraw/zinc/23/37/77/215233777.db2.gz WKBJVNJVSVRUFC-UHFFFAOYSA-N 1 0 345.447 1.416 50 0 EDAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc2cnccc21 ZINC000067965841 215262843 /nfs/dbraw/zinc/26/28/43/215262843.db2.gz RMLLTOMHLYBXGD-BBRMVZONSA-N 1 0 326.400 1.301 50 0 EDAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)CCn1cncn1 ZINC000068476289 215311737 /nfs/dbraw/zinc/31/17/37/215311737.db2.gz YSRHPAAQGOWMMM-UHFFFAOYSA-N 1 0 335.839 1.912 50 0 EDAARO COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000069045524 215356423 /nfs/dbraw/zinc/35/64/23/215356423.db2.gz FDRYAZYAVKHDGB-HUUCEWRRSA-N 1 0 327.469 1.994 50 0 EDAARO CC(=O)N1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000040476388 213312936 /nfs/dbraw/zinc/31/29/36/213312936.db2.gz HAMIFGGZDXXXAJ-MRXNPFEDSA-N 1 0 348.447 1.680 50 0 EDAARO Cc1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000038592756 213216517 /nfs/dbraw/zinc/21/65/17/213216517.db2.gz 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1.537 50 0 EDAARO COc1ccccc1OCC(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072448204 216237659 /nfs/dbraw/zinc/23/76/59/216237659.db2.gz DOALYESBVDIYHJ-UHFFFAOYSA-N 1 0 341.411 1.740 50 0 EDAARO CC(=O)C1(c2ccccc2)CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000072480785 216260409 /nfs/dbraw/zinc/26/04/09/216260409.db2.gz GPWZULZFUOHTSW-QGZVFWFLSA-N 1 0 330.428 1.514 50 0 EDAARO C[N@H+](CCN1C(=O)CNC1=O)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666647 216290385 /nfs/dbraw/zinc/29/03/85/216290385.db2.gz FPQFQFNDPKYBOB-UHFFFAOYSA-N 1 0 334.395 1.278 50 0 EDAARO CCc1noc(-c2ccc(CCNC(=O)[C@H]3C[C@H](OC)C[NH2+]3)cc2)n1 ZINC000191922499 239383642 /nfs/dbraw/zinc/38/36/42/239383642.db2.gz OUEFISSCHLXINM-LSDHHAIUSA-N 1 0 344.415 1.335 50 0 EDAARO CCOC(=O)c1cc(C[NH2+]C2(CN3CCOCC3)CCCC2)on1 ZINC000022917616 212335026 /nfs/dbraw/zinc/33/50/26/212335026.db2.gz JYHUPSNNLVOGKU-UHFFFAOYSA-N 1 0 337.420 1.586 50 0 EDAARO CC[NH+](CC)[C@@H](CNC(=O)CN1CSCC1=O)c1ccccc1 ZINC000022752078 212320479 /nfs/dbraw/zinc/32/04/79/212320479.db2.gz XFMMNVMBFPLPSB-HNNXBMFYSA-N 1 0 335.473 1.719 50 0 EDAARO O=C(c1[nH]c(=O)nc2ccccc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000216097590 241162150 /nfs/dbraw/zinc/16/21/50/241162150.db2.gz OMMXNUVAHIWPHK-ZDUSSCGKSA-N 1 0 326.400 1.624 50 0 EDAARO Cc1ccc([C@H](C)NC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1C ZINC000229373152 242159127 /nfs/dbraw/zinc/15/91/27/242159127.db2.gz BGKVXUXONZNNMO-KSZLIROESA-N 1 0 347.503 1.868 50 0 EDAARO Cn1nc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc2c1=O ZINC000229385973 242163025 /nfs/dbraw/zinc/16/30/25/242163025.db2.gz LSFKSHRNPVZLHK-CABCVRRESA-N 1 0 326.400 1.290 50 0 EDAARO CN(C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cnn(C)c1 ZINC000230212230 242249313 /nfs/dbraw/zinc/24/93/13/242249313.db2.gz UOMCGJIVLAUUOE-DJIMGWMZSA-N 1 0 348.495 1.149 50 0 EDAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2F)CC1 ZINC000237358255 242603061 /nfs/dbraw/zinc/60/30/61/242603061.db2.gz TXZBPTZAOWSDQP-UHFFFAOYSA-N 1 0 346.424 1.463 50 0 EDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000237443880 242639776 /nfs/dbraw/zinc/63/97/76/242639776.db2.gz MKTXXPJZVVHUBB-LRDDRELGSA-N 1 0 344.390 1.714 50 0 EDAARO Cc1ccc(OC2CN(c3cc([C@H]4C[C@@H](O)C4)[nH+]c(N)n3)C2)cc1 ZINC000244633265 243046392 /nfs/dbraw/zinc/04/63/92/243046392.db2.gz GABQFHNITIPXCF-BETUJISGSA-N 1 0 326.400 1.873 50 0 EDAARO COCCn1cncc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000244893085 243100809 /nfs/dbraw/zinc/10/08/09/243100809.db2.gz YVKILKCWVKLGNU-HNNXBMFYSA-N 1 0 340.431 1.952 50 0 EDAARO Cc1ccc(CSCC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000020818940 212174341 /nfs/dbraw/zinc/17/43/41/212174341.db2.gz XMAQJPHHGAUTSK-UHFFFAOYSA-N 1 0 335.517 1.982 50 0 EDAARO CC[N@@H+]1CCC[C@@H](C(=O)NCCc2nnc(-c3ccncc3)[nH]2)C1 ZINC000020542786 212145386 /nfs/dbraw/zinc/14/53/86/212145386.db2.gz FNWOKHNBPAGYEB-CQSZACIVSA-N 1 0 328.420 1.257 50 0 EDAARO CCOc1ccc2[nH]c3c(ncn(CCN4CC[NH2+]CC4)c3=O)c2c1 ZINC000020503152 212140236 /nfs/dbraw/zinc/14/02/36/212140236.db2.gz HVEUTRAMKXNFNR-UHFFFAOYSA-N 1 0 341.415 1.182 50 0 EDAARO CN1CC[NH+](CC2(C)CCN(C(=O)NCc3ccoc3)CC2)CC1 ZINC000253418839 243947514 /nfs/dbraw/zinc/94/75/14/243947514.db2.gz AQQCLRZHUMPQGN-UHFFFAOYSA-N 1 0 334.464 1.839 50 0 EDAARO Nc1nc2c(c(NCC[C@H]3COc4ccccc4O3)n1)CC[NH2+]C2 ZINC000077471935 216913464 /nfs/dbraw/zinc/91/34/64/216913464.db2.gz IZPXOISXENXNBY-NSHDSACASA-N 1 0 327.388 1.347 50 0 EDAARO Cc1ccc2ncnc(NCCC[NH+]3CCN(CCO)CC3)c2c1 ZINC000019797493 212069819 /nfs/dbraw/zinc/06/98/19/212069819.db2.gz DRAZYTTUIPSWHL-UHFFFAOYSA-N 1 0 329.448 1.350 50 0 EDAARO Cc1cc(C)c(C[N@H+]2CCN(C)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000019225988 212007289 /nfs/dbraw/zinc/00/72/89/212007289.db2.gz FORRJLFQFFPNNZ-KRWDZBQOSA-N 1 0 328.460 1.988 50 0 EDAARO O=C(NCc1nncn1C1CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000078603827 217084402 /nfs/dbraw/zinc/08/44/02/217084402.db2.gz OFORLFHRBDZEHF-MRXNPFEDSA-N 1 0 325.416 1.894 50 0 EDAARO CCNC(=O)NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000078665146 217097759 /nfs/dbraw/zinc/09/77/59/217097759.db2.gz YEIUNQAHBWPNMH-UHFFFAOYSA-N 1 0 339.823 1.781 50 0 EDAARO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)C2)n1 ZINC000237741576 139059253 /nfs/dbraw/zinc/05/92/53/139059253.db2.gz JNNALBQWOFLBKV-RRFJBIMHSA-N 1 0 330.432 1.695 50 0 EDAARO Cn1cc([C@]2(C)CN(C(=O)C[C@H]([NH3+])c3ccccc3)CCO2)cn1 ZINC000237713240 139058419 /nfs/dbraw/zinc/05/84/19/139058419.db2.gz ONVHZIGSPVAXRC-WMZOPIPTSA-N 1 0 328.416 1.584 50 0 EDAARO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cccc(-n2cncn2)c1 ZINC000241287114 249303447 /nfs/dbraw/zinc/30/34/47/249303447.db2.gz LKBJDOFTUWOJEZ-MQVJKMGUSA-N 1 0 325.416 1.804 50 0 EDAARO C[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000247299709 139144274 /nfs/dbraw/zinc/14/42/74/139144274.db2.gz ZPNKWSZWCZKCEH-UKRRQHHQSA-N 1 0 339.395 1.732 50 0 EDAARO C[NH+]1CCC(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000012894399 211477497 /nfs/dbraw/zinc/47/74/97/211477497.db2.gz KIXGNDADNARYAN-UHFFFAOYSA-N 1 0 337.445 1.186 50 0 EDAARO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(CCOc2ccccc2)CC1 ZINC000091625282 218034099 /nfs/dbraw/zinc/03/40/99/218034099.db2.gz RDAXSZVYDNVYGF-SFHVURJKSA-N 1 0 343.471 1.599 50 0 EDAARO NC(=O)c1ccc2[nH]c(C[N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)cc(=O)c2c1 ZINC000091547610 218020262 /nfs/dbraw/zinc/02/02/62/218020262.db2.gz AIMCTILKKWXGDK-PURYLZLUSA-N 1 0 339.395 1.649 50 0 EDAARO CCN(Cc1ccncc1)C(=O)[C@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000091587187 218026660 /nfs/dbraw/zinc/02/66/60/218026660.db2.gz QRONILMCSXKPBD-INIZCTEOSA-N 1 0 332.448 1.230 50 0 EDAARO CCc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000091694347 218049492 /nfs/dbraw/zinc/04/94/92/218049492.db2.gz CYDIENJKHIRZSH-IAGOWNOFSA-N 1 0 331.460 1.810 50 0 EDAARO CC(=O)NCCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091706955 218051342 /nfs/dbraw/zinc/05/13/42/218051342.db2.gz HCNAQQNVDVISHZ-FUHWJXTLSA-N 1 0 344.459 1.421 50 0 EDAARO COCC[N@H+](C)C[C@@H]1CN(Cc2cccc(F)c2F)C[C@@H]1CO ZINC000091664587 218043427 /nfs/dbraw/zinc/04/34/27/218043427.db2.gz NFOZCTCMOYSTAP-HUUCEWRRSA-N 1 0 328.403 1.583 50 0 EDAARO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@@]12CCNC(=O)CC2 ZINC000091665123 218044116 /nfs/dbraw/zinc/04/41/16/218044116.db2.gz PXBYIUNNCUXXLS-HXUWFJFHSA-N 1 0 341.455 1.602 50 0 EDAARO COCCN1CCC[C@]2(CC[N@H+](Cc3nnc(C4CC4)o3)C2)C1=O ZINC000091914975 218088321 /nfs/dbraw/zinc/08/83/21/218088321.db2.gz GENZTFHFKXJVRZ-QGZVFWFLSA-N 1 0 334.420 1.408 50 0 EDAARO CCCCc1c(C)[nH+]c(N)nc1NCc1ccc(S(N)(=O)=O)cc1 ZINC000091915311 218088455 /nfs/dbraw/zinc/08/84/55/218088455.db2.gz IEUIJPKIYANUTE-UHFFFAOYSA-N 1 0 349.460 1.969 50 0 EDAARO COc1cccc(C(=O)NCC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000408518007 250299934 /nfs/dbraw/zinc/29/99/34/250299934.db2.gz RLSBHUFXFKVCFE-UHFFFAOYSA-N 1 0 333.432 1.225 50 0 EDAARO C[N@@H+]1CCN(C(=O)OCc2ccccc2)C[C@@]12CCNC(=O)CC2 ZINC000095353839 218288000 /nfs/dbraw/zinc/28/80/00/218288000.db2.gz DVWPLHMESJOTPC-GOSISDBHSA-N 1 0 331.416 1.610 50 0 EDAARO Cc1cc(=O)oc2cc(OCC(=O)NCC[NH+](C)C)c(Cl)cc12 ZINC000009134074 211043192 /nfs/dbraw/zinc/04/31/92/211043192.db2.gz IYZZKDRNKRWWDK-UHFFFAOYSA-N 1 0 338.791 1.811 50 0 EDAARO C[NH+](C)CCN1C[C@@H](C(=O)NCc2c(F)cccc2Cl)CC1=O ZINC000095366790 218299605 /nfs/dbraw/zinc/29/96/05/218299605.db2.gz SXMWJGILYYZLGW-NSHDSACASA-N 1 0 341.814 1.505 50 0 EDAARO C[NH+](C)CCN1C[C@H](C(=O)NCc2csc3c2CCCC3)CC1=O ZINC000095384609 218316820 /nfs/dbraw/zinc/31/68/20/218316820.db2.gz MMMWEAWGNJJGOK-CYBMUJFWSA-N 1 0 349.500 1.653 50 0 EDAARO COc1ccnc(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)c1 ZINC000095397820 218330279 /nfs/dbraw/zinc/33/02/79/218330279.db2.gz NTSAQACBNAKIPF-UHFFFAOYSA-N 1 0 334.464 1.625 50 0 EDAARO COCCC[N@@H+]1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1 ZINC000095391848 218323906 /nfs/dbraw/zinc/32/39/06/218323906.db2.gz KAFZCBDXSSHCDG-OAHLLOKOSA-N 1 0 332.452 1.584 50 0 EDAARO O=c1[nH]nc2ccc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nn21 ZINC000095412034 218348989 /nfs/dbraw/zinc/34/89/89/218348989.db2.gz YUDAXDDGNCVOEG-AWEZNQCLSA-N 1 0 330.436 1.510 50 0 EDAARO COc1cc(NC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)ccc1F ZINC000095516971 218423779 /nfs/dbraw/zinc/42/37/79/218423779.db2.gz AEUVULPNSMPRSU-GJZGRUSLSA-N 1 0 337.395 1.897 50 0 EDAARO COC(=O)[C@H](C[NH+]1CCCCC1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000032765195 291747597 /nfs/dbraw/zinc/74/75/97/291747597.db2.gz SCSDWNVBPVRPEB-FZMZJTMJSA-N 1 0 349.353 1.445 50 0 EDAARO CCOC[C@@H](O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000096483275 218859190 /nfs/dbraw/zinc/85/91/90/218859190.db2.gz OIFKFTRNICSTQP-KRWDZBQOSA-N 1 0 332.444 1.685 50 0 EDAARO CN(CCCN1CC[NH+](C)CC1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000097048697 218931649 /nfs/dbraw/zinc/93/16/49/218931649.db2.gz WPUHCHCRTSSDQF-UHFFFAOYSA-N 1 0 332.452 1.455 50 0 EDAARO COc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000158975031 533060915 /nfs/dbraw/zinc/06/09/15/533060915.db2.gz NNQCMXBLPGBHRM-CQSZACIVSA-N 1 0 342.461 1.129 50 0 EDAARO O=C(c1cc[nH]c1)N1CC[N@@H+](C2Cc3ccccc3C2)C[C@@H](O)C1 ZINC000097347545 219013490 /nfs/dbraw/zinc/01/34/90/219013490.db2.gz MWFCPQRYXFWALO-GOSISDBHSA-N 1 0 325.412 1.301 50 0 EDAARO Cc1nc2c(NC(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)cccn2n1 ZINC000097370534 219015383 /nfs/dbraw/zinc/01/53/83/219015383.db2.gz TUJHLZSZNXYPNK-KBPBESRZSA-N 1 0 330.392 1.022 50 0 EDAARO Cc1nc(C(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c(C)s1 ZINC000097514212 219031817 /nfs/dbraw/zinc/03/18/17/219031817.db2.gz AWPZIEVYHKALFB-OAHLLOKOSA-N 1 0 334.489 1.612 50 0 EDAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)NCCN1CCCOC1=O ZINC000426439142 254492464 /nfs/dbraw/zinc/49/24/64/254492464.db2.gz ZWXHYBFBWPJKEK-UHFFFAOYSA-N 1 0 341.795 1.250 50 0 EDAARO CCN(Cc1noc(C)n1)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426722672 257957075 /nfs/dbraw/zinc/95/70/75/257957075.db2.gz RGKVOZWLPPQIAV-ZDUSSCGKSA-N 1 0 332.408 1.090 50 0 EDAARO Cc1nc(-c2ccc(CCNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)s2)cs1 ZINC000299752705 257985642 /nfs/dbraw/zinc/98/56/42/257985642.db2.gz VCPYOTHTZQZGBP-ZYHUDNBSSA-N 1 0 337.470 1.562 50 0 EDAARO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCOCC1)c1ccsc1 ZINC000283283821 258013008 /nfs/dbraw/zinc/01/30/08/258013008.db2.gz SJQXVBVWLFMCNL-CQSZACIVSA-N 1 0 339.461 1.106 50 0 EDAARO O=C(NCCCn1ccccc1=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299777860 258087875 /nfs/dbraw/zinc/08/78/75/258087875.db2.gz NWKWMRKDTJCMOC-UHFFFAOYSA-N 1 0 347.459 1.246 50 0 EDAARO Nc1nc(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)cs1 ZINC000299783248 258091038 /nfs/dbraw/zinc/09/10/38/258091038.db2.gz ZGNLKYHKGIFWJM-UHFFFAOYSA-N 1 0 332.429 1.825 50 0 EDAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cnc(NC)nc3)cc2C1 ZINC000299790754 258096207 /nfs/dbraw/zinc/09/62/07/258096207.db2.gz CALDWQQWSTXUTM-UHFFFAOYSA-N 1 0 343.435 1.261 50 0 EDAARO CN1CCC([NH+]2CCC(NC(=O)c3cccn4cnnc34)CC2)CC1 ZINC000299795307 258099582 /nfs/dbraw/zinc/09/95/82/258099582.db2.gz KOUKRNPWJAZMSG-UHFFFAOYSA-N 1 0 342.447 1.018 50 0 EDAARO CCn1c(=O)cc(SCC(=O)NCC[NH+](C)C)c2ccccc21 ZINC000004936554 258051360 /nfs/dbraw/zinc/05/13/60/258051360.db2.gz MMXZZZFERXOPPC-UHFFFAOYSA-N 1 0 333.457 1.791 50 0 EDAARO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000069973634 258063806 /nfs/dbraw/zinc/06/38/06/258063806.db2.gz ISCGXIVQRRHQBL-ZWNOBZJWSA-N 1 0 339.358 1.246 50 0 EDAARO COc1cccc(CN2CC3(CC2=O)CC[NH+]([C@@H](C)C(N)=O)CC3)c1 ZINC000077505165 286449787 /nfs/dbraw/zinc/44/97/87/286449787.db2.gz IYRZXLVQSKWVBY-AWEZNQCLSA-N 1 0 345.443 1.384 50 0 EDAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1nc(N(C)C)no1 ZINC000408473853 158371974 /nfs/dbraw/zinc/37/19/74/158371974.db2.gz MWKOZPWFZUOEHS-UKRRQHHQSA-N 1 0 343.431 1.520 50 0 EDAARO CS[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccs2)C[C@H]1[NH+](C)C ZINC000095444683 286702811 /nfs/dbraw/zinc/70/28/11/286702811.db2.gz YWZPVYZAAANHRA-DMDPSCGWSA-N 1 0 341.502 1.370 50 0 EDAARO CC[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000040090059 286837233 /nfs/dbraw/zinc/83/72/33/286837233.db2.gz VZYFVGJNSSZMBT-ZDUSSCGKSA-N 1 0 340.445 1.611 50 0 EDAARO COc1cc([C@@H](C)[NH2+]CCc2nc(C)no2)ccc1S(C)(=O)=O ZINC000089518940 287321020 /nfs/dbraw/zinc/32/10/20/287321020.db2.gz HLKMZAIYZONTDM-SNVBAGLBSA-N 1 0 339.417 1.683 50 0 EDAARO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)C(=O)Nc1nccs1 ZINC000065527688 274253111 /nfs/dbraw/zinc/25/31/11/274253111.db2.gz SEEFUJVMPPVMPL-SNVBAGLBSA-N 1 0 329.389 1.236 50 0 EDAARO CC(C)[NH+]1CCN(c2ncc3c(n2)-c2cn(C)nc2NCC3)CC1 ZINC000032918705 275637578 /nfs/dbraw/zinc/63/75/78/275637578.db2.gz QOGOCKDIZINMSQ-UHFFFAOYSA-N 1 0 327.436 1.376 50 0 EDAARO CCCc1cnc(C)nc1N1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH2+]C)C1 ZINC000072421345 276056528 /nfs/dbraw/zinc/05/65/28/276056528.db2.gz UVEXGSLMQHPGSS-DLBZAZTESA-N 1 0 345.491 1.774 50 0 EDAARO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000095406155 277371643 /nfs/dbraw/zinc/37/16/43/277371643.db2.gz GPBOVNOZHADSEL-SQNIBIBYSA-N 1 0 342.439 1.987 50 0 EDAARO CSC[C@H](O)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000230195624 278137772 /nfs/dbraw/zinc/13/77/72/278137772.db2.gz SFEVBJASJXHLKC-ZIAGYGMSSA-N 1 0 330.519 1.777 50 0 EDAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000170600006 278497337 /nfs/dbraw/zinc/49/73/37/278497337.db2.gz SMRIUUKNHQXQDV-GBESFXJTSA-N 1 0 349.519 1.844 50 0 EDAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1-c1ncc[nH]1 ZINC000067433856 279598149 /nfs/dbraw/zinc/59/81/49/279598149.db2.gz LUKDSBVTIUOYFQ-DOMZBBRYSA-N 1 0 341.415 1.143 50 0 EDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072453887 289222963 /nfs/dbraw/zinc/22/29/63/289222963.db2.gz BWIOQPRMOZKJHH-HXUWFJFHSA-N 1 0 348.487 1.919 50 0 EDAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)C1CC1 ZINC000065516712 289361856 /nfs/dbraw/zinc/36/18/56/289361856.db2.gz DZRUNLOCZAFHJB-CHWSQXEVSA-N 1 0 343.493 1.753 50 0 EDAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000237981142 295253058 /nfs/dbraw/zinc/25/30/58/295253058.db2.gz BSOSTUMBXXAFSG-VIFPVBQESA-N 1 0 326.315 1.956 50 0 EDAARO COc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1OC ZINC000003510289 440903050 /nfs/dbraw/zinc/90/30/50/440903050.db2.gz LKXHLVYUTFJMGB-UHFFFAOYSA-N 1 0 335.389 1.389 50 0 EDAARO Cc1csc(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000044951658 440922376 /nfs/dbraw/zinc/92/23/76/440922376.db2.gz MSXTUAXSAWXRRX-ZDUSSCGKSA-N 1 0 326.466 1.608 50 0 EDAARO Cc1csc(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000044951655 440922489 /nfs/dbraw/zinc/92/24/89/440922489.db2.gz MSXTUAXSAWXRRX-CYBMUJFWSA-N 1 0 326.466 1.608 50 0 EDAARO CC(C)(CNC(=O)CCn1cncn1)[N@@H+]1CCc2ccccc2C1 ZINC000045455579 440990096 /nfs/dbraw/zinc/99/00/96/440990096.db2.gz MYQYAPXJFXPMNU-UHFFFAOYSA-N 1 0 327.432 1.621 50 0 EDAARO CCCn1c(N)c(NC[C@@H](c2ccccc2)[NH+](C)C)c(=O)[nH]c1=O ZINC000007004352 441029181 /nfs/dbraw/zinc/02/91/81/441029181.db2.gz SSITVUJZZMZJRI-ZDUSSCGKSA-N 1 0 331.420 1.244 50 0 EDAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cccc(-c2cnc(N)cn2)c1 ZINC000426406354 447436948 /nfs/dbraw/zinc/43/69/48/447436948.db2.gz XGUYRZWXQSXVBT-HOTGVXAUSA-N 1 0 341.415 1.175 50 0 EDAARO COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H](C)[NH+](C)C)CC2=O)c1 ZINC000046271787 441098284 /nfs/dbraw/zinc/09/82/84/441098284.db2.gz GTVDJRNBSJIMRW-QWHCGFSZSA-N 1 0 349.431 1.123 50 0 EDAARO O=C(COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000070009604 441103517 /nfs/dbraw/zinc/10/35/17/441103517.db2.gz VNBOZMLWZOSTMZ-QGZVFWFLSA-N 1 0 346.427 1.301 50 0 EDAARO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)NCCc1c(F)cccc1F ZINC000070040756 441107841 /nfs/dbraw/zinc/10/78/41/441107841.db2.gz MKVJNACTSJSTCR-AWEZNQCLSA-N 1 0 348.397 1.985 50 0 EDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(c2ccccn2)CC1 ZINC000046943536 441138710 /nfs/dbraw/zinc/13/87/10/441138710.db2.gz PSPXABQLXSCWIM-IAGOWNOFSA-N 1 0 343.475 1.976 50 0 EDAARO C[NH+]1CCC(Cc2noc(-c3n[nH]c(=O)c4ccccc43)n2)CC1 ZINC000071278859 441143406 /nfs/dbraw/zinc/14/34/06/441143406.db2.gz HALWZQGHEJRKIG-UHFFFAOYSA-N 1 0 325.372 1.857 50 0 EDAARO CCCc1nnc(C(=O)N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)o1 ZINC000071497556 441146688 /nfs/dbraw/zinc/14/66/88/441146688.db2.gz RSLBWELJRXHVGA-CQSZACIVSA-N 1 0 349.479 1.510 50 0 EDAARO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000071830805 441163414 /nfs/dbraw/zinc/16/34/14/441163414.db2.gz GLKNCSBNGIKUOM-UHFFFAOYSA-N 1 0 342.447 1.855 50 0 EDAARO Cc1nn(C)c2nc(C)cc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c12 ZINC000071839871 441165919 /nfs/dbraw/zinc/16/59/19/441165919.db2.gz AOMOJLWHGMOIKT-AWEZNQCLSA-N 1 0 327.432 1.895 50 0 EDAARO O=C(CCn1cnc2sccc2c1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839855 441166370 /nfs/dbraw/zinc/16/63/70/441166370.db2.gz RYSJAZZEAVTEGF-ZDUSSCGKSA-N 1 0 346.456 1.545 50 0 EDAARO COc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1C ZINC000058393986 441190243 /nfs/dbraw/zinc/19/02/43/441190243.db2.gz AWLPUFFJYOVOSC-MRXNPFEDSA-N 1 0 345.443 1.558 50 0 EDAARO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccccc21)C[NH+]1CCN(C)CC1 ZINC000071853878 441169813 /nfs/dbraw/zinc/16/98/13/441169813.db2.gz ZAAMFTYCWNZQDN-AWEZNQCLSA-N 1 0 342.443 1.141 50 0 EDAARO COc1c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c(C)nn1C ZINC000058292652 441173707 /nfs/dbraw/zinc/17/37/07/441173707.db2.gz NOBGPDZCAWSEJP-UHFFFAOYSA-N 1 0 326.404 1.667 50 0 EDAARO CC(=O)NCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058291527 441173755 /nfs/dbraw/zinc/17/37/55/441173755.db2.gz MHMSFJXOKCZEFJ-QGZVFWFLSA-N 1 0 332.448 1.476 50 0 EDAARO CCCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1 ZINC000058311285 441177462 /nfs/dbraw/zinc/17/74/62/441177462.db2.gz PHYZSRJXQUYNQP-CYBMUJFWSA-N 1 0 335.452 1.468 50 0 EDAARO C[C@H]([NH2+]C[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cn1 ZINC000071871873 441177728 /nfs/dbraw/zinc/17/77/28/441177728.db2.gz HSDABZIDLYXBAN-WDEREUQCSA-N 1 0 334.811 1.506 50 0 EDAARO CN(C)C(=O)COc1cccc(NC(=O)NCC[N@H+](C)C2CC2)c1 ZINC000071902362 441190760 /nfs/dbraw/zinc/19/07/60/441190760.db2.gz CJPJMQUNUCRGIC-UHFFFAOYSA-N 1 0 334.420 1.369 50 0 EDAARO O=C(C[NH+]1CCC(C(=O)NCc2ccco2)CC1)N1CCCCC1 ZINC000058332144 441180640 /nfs/dbraw/zinc/18/06/40/441180640.db2.gz WXXKUEJXCKILMZ-UHFFFAOYSA-N 1 0 333.432 1.620 50 0 EDAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(Cn3cncn3)cc1)CN2 ZINC000058342001 441182699 /nfs/dbraw/zinc/18/26/99/441182699.db2.gz PZRRBBRXLZRSDY-KRWDZBQOSA-N 1 0 337.431 1.663 50 0 EDAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000071883601 441183641 /nfs/dbraw/zinc/18/36/41/441183641.db2.gz LNQYYKOTCXJIGC-BBRMVZONSA-N 1 0 326.462 1.672 50 0 EDAARO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000058009062 441148584 /nfs/dbraw/zinc/14/85/84/441148584.db2.gz ZOORYSIAOFNCTP-HNNXBMFYSA-N 1 0 341.419 1.891 50 0 EDAARO CC[N@H+](C)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000058007312 441148594 /nfs/dbraw/zinc/14/85/94/441148594.db2.gz MOBLZJKUJVLTED-UHFFFAOYSA-N 1 0 326.340 1.815 50 0 EDAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN(C)[C@H]1CC[N@H+](C)C1 ZINC000071721351 441148655 /nfs/dbraw/zinc/14/86/55/441148655.db2.gz MTDVIIRKKCVOHX-ZDUSSCGKSA-N 1 0 349.866 1.825 50 0 EDAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC000071750321 441151068 /nfs/dbraw/zinc/15/10/68/441151068.db2.gz SORPUINUPQWKQA-ZDUSSCGKSA-N 1 0 345.447 1.005 50 0 EDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000058393363 441189422 /nfs/dbraw/zinc/18/94/22/441189422.db2.gz BXBUPDCFJKBVFS-UHFFFAOYSA-N 1 0 339.447 1.724 50 0 EDAARO COCc1cc(=O)[nH]c(NC(=[NH2+])Nc2cc(Cl)ccc2OC)n1 ZINC000013107211 441152851 /nfs/dbraw/zinc/15/28/51/441152851.db2.gz PFTTZKIAQIGMTB-UHFFFAOYSA-N 1 0 337.767 1.459 50 0 EDAARO O[C@@H]1C[C@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@H]2C[C@@H]1O ZINC000071764751 441152826 /nfs/dbraw/zinc/15/28/26/441152826.db2.gz BVXSKLAQQGOTNM-KJWXAFIESA-N 1 0 330.472 1.715 50 0 EDAARO O=C1CC2(CCCC2)C(=O)N1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000058137733 441153253 /nfs/dbraw/zinc/15/32/53/441153253.db2.gz FIXYFJLXLITAOQ-QGZVFWFLSA-N 1 0 342.439 1.725 50 0 EDAARO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000071794506 441155577 /nfs/dbraw/zinc/15/55/77/441155577.db2.gz DGDLFOPKMKVINE-MRXNPFEDSA-N 1 0 331.460 1.582 50 0 EDAARO CC(=O)Nc1cc(S(=O)(=O)NCCC[NH+]2CC=CC2)ccc1C ZINC000101416866 441155621 /nfs/dbraw/zinc/15/56/21/441155621.db2.gz RBQSYIUSOODXIE-UHFFFAOYSA-N 1 0 337.445 1.494 50 0 EDAARO COCC[NH+]1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000071800048 441156203 /nfs/dbraw/zinc/15/62/03/441156203.db2.gz RYKFVOGCZOOLIY-OAHLLOKOSA-N 1 0 343.265 1.747 50 0 EDAARO C[C@H](NC(=O)[C@@H](O)C[NH+]1CCCCC1)[C@@H]1COc2ccccc2O1 ZINC000013511600 441159316 /nfs/dbraw/zinc/15/93/16/441159316.db2.gz LQMCJXNMRPKICH-ZQIUZPCESA-N 1 0 334.416 1.178 50 0 EDAARO CC(C)[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000071826926 441162123 /nfs/dbraw/zinc/16/21/23/441162123.db2.gz KWPLXHPIQGGYSS-SFHVURJKSA-N 1 0 343.471 1.793 50 0 EDAARO CCc1ccc(N2C[C@@H](C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2=O)cc1 ZINC000060065756 441232527 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C[NH+](C)Cc1cccc(CNC2=NS(=O)(=O)c3ccccc32)c1 ZINC000031726028 441535831 /nfs/dbraw/zinc/53/58/31/441535831.db2.gz OKXRPNJOIFCVSQ-UHFFFAOYSA-N 1 0 329.425 1.987 50 0 EDAARO C[NH+](C)C1(C(=O)N2CCN(c3nncc4ccccc43)CC2)CCC1 ZINC000089313956 441537611 /nfs/dbraw/zinc/53/76/11/441537611.db2.gz HFIFEEHTMQTGCT-UHFFFAOYSA-N 1 0 339.443 1.763 50 0 EDAARO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000066580070 441547286 /nfs/dbraw/zinc/54/72/86/441547286.db2.gz PJQFBKWFWKKMBB-MRXNPFEDSA-N 1 0 343.537 1.751 50 0 EDAARO COc1ncnc(N)c1C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000089420678 441549306 /nfs/dbraw/zinc/54/93/06/441549306.db2.gz YYHBCHMKZKQKEW-JTQLQIEISA-N 1 0 334.811 1.484 50 0 EDAARO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)cc(Cl)c1OCC(N)=O ZINC000030908467 441506899 /nfs/dbraw/zinc/50/68/99/441506899.db2.gz HSGMVLUDZOHUHK-ZWNOBZJWSA-N 1 0 342.823 1.870 50 0 EDAARO CNC(=O)COc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066159251 441509119 /nfs/dbraw/zinc/50/91/19/441509119.db2.gz 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COc1cccc([C@H](CNC(=O)N[C@H](C)c2nncn2C)[NH+](C)C)c1 ZINC000089913948 441594728 /nfs/dbraw/zinc/59/47/28/441594728.db2.gz WLESATBQBGPFHR-DOMZBBRYSA-N 1 0 346.435 1.487 50 0 EDAARO Cc1nc(C[NH3+])cc(N2CCC(n3c4ccccc4[nH]c3=O)CC2)n1 ZINC000067673871 441665528 /nfs/dbraw/zinc/66/55/28/441665528.db2.gz BNFJTHCKFAQRRM-UHFFFAOYSA-N 1 0 338.415 1.728 50 0 EDAARO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000042186730 441715264 /nfs/dbraw/zinc/71/52/64/441715264.db2.gz AYONTOIGCVKVRW-INIZCTEOSA-N 1 0 332.425 1.937 50 0 EDAARO CCC[NH+]1CCC(CC(=O)N2CCN(Cc3noc(C)n3)CC2)CC1 ZINC000067724721 441673731 /nfs/dbraw/zinc/67/37/31/441673731.db2.gz HWWAHEAHGXXOAC-UHFFFAOYSA-N 1 0 349.479 1.534 50 0 EDAARO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000077277419 441744929 /nfs/dbraw/zinc/74/49/29/441744929.db2.gz OJUITTQIURKZEU-CQSZACIVSA-N 1 0 345.896 1.778 50 0 EDAARO C[NH+]1CCN(C(C)(C)CNC(=O)c2ccc(-n3cncn3)cc2)CC1 ZINC000042543707 441750720 /nfs/dbraw/zinc/75/07/20/441750720.db2.gz NDQPTMMGBKDICX-UHFFFAOYSA-N 1 0 342.447 1.023 50 0 EDAARO COc1ccccc1OC1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000077341067 441757712 /nfs/dbraw/zinc/75/77/12/441757712.db2.gz PPQNZPKOBUNQID-OAHLLOKOSA-N 1 0 334.416 1.444 50 0 EDAARO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cn1 ZINC000077452993 441782518 /nfs/dbraw/zinc/78/25/18/441782518.db2.gz FIZIYJDCFDRHPN-OAHLLOKOSA-N 1 0 332.448 1.190 50 0 EDAARO CC(C)N(C)c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000077475932 441788910 /nfs/dbraw/zinc/78/89/10/441788910.db2.gz SGXKFJODLRAYOO-QGZVFWFLSA-N 1 0 333.480 1.899 50 0 EDAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1O ZINC000077487234 441790432 /nfs/dbraw/zinc/79/04/32/441790432.db2.gz VEPJVMBXFHWMDA-LJQANCHMSA-N 1 0 348.443 1.598 50 0 EDAARO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccn(-c2ccccc2)n1 ZINC000043621008 441850305 /nfs/dbraw/zinc/85/03/05/441850305.db2.gz OPFUXCLXXKXPEB-MRXNPFEDSA-N 1 0 343.431 1.841 50 0 EDAARO O=C(CC[NH2+]Cc1ccccc1F)N1CCN(c2ncccn2)CC1 ZINC000069564813 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CC(C)NC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000095971096 441964497 /nfs/dbraw/zinc/96/44/97/441964497.db2.gz RNJJOCYRQJWPHV-QGZVFWFLSA-N 1 0 329.444 1.464 50 0 EDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000069624652 441994592 /nfs/dbraw/zinc/99/45/92/441994592.db2.gz SYYSCULZUUELFL-ZNMIVQPWSA-N 1 0 347.415 1.899 50 0 EDAARO OC[C@H](O)CSc1nnc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000426443048 447444240 /nfs/dbraw/zinc/44/42/40/447444240.db2.gz SFDOKBQUGJLEBM-HNNXBMFYSA-N 1 0 348.472 1.239 50 0 EDAARO C[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000150997767 441987847 /nfs/dbraw/zinc/98/78/47/441987847.db2.gz QECZYXMYRNJIIU-GFCCVEGCSA-N 1 0 330.837 1.324 50 0 EDAARO CCn1ccnc1CN1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000069655925 442002831 /nfs/dbraw/zinc/00/28/31/442002831.db2.gz VDXNTLUIKLDVPS-KRWDZBQOSA-N 1 0 347.507 1.812 50 0 EDAARO O=C(NC[C@H]1CCOC1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000069657526 442003244 /nfs/dbraw/zinc/00/32/44/442003244.db2.gz 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C[NH+](C)C(C)(C)CNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000072273248 441215169 /nfs/dbraw/zinc/21/51/69/441215169.db2.gz QDUJWAQKKLAVTQ-UHFFFAOYSA-N 1 0 340.417 1.814 50 0 EDAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000072298499 441226078 /nfs/dbraw/zinc/22/60/78/441226078.db2.gz JWGQBBGULIQOBS-INIZCTEOSA-N 1 0 342.447 1.697 50 0 EDAARO CCn1ccnc1C[NH2+][C@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C ZINC000072300619 441227218 /nfs/dbraw/zinc/22/72/18/441227218.db2.gz AKEQZGXDVNJTIJ-KBPBESRZSA-N 1 0 328.482 1.441 50 0 EDAARO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCCO2 ZINC000060568017 441251743 /nfs/dbraw/zinc/25/17/43/441251743.db2.gz IFCVJRYSXHHWLL-KBPBESRZSA-N 1 0 332.400 1.823 50 0 EDAARO O=C(Nc1ccc(N2CCOCC2)nc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048070370 441255949 /nfs/dbraw/zinc/25/59/49/441255949.db2.gz OWEJWOOMAYMABS-JKSUJKDBSA-N 1 0 345.447 1.667 50 0 EDAARO O=C(NCc1ccccn1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000048262033 441279745 /nfs/dbraw/zinc/27/97/45/441279745.db2.gz 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C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073880915 441365710 /nfs/dbraw/zinc/36/57/10/441365710.db2.gz RDTIWRGOTOCPAR-DZGCQCFKSA-N 1 0 347.434 1.682 50 0 EDAARO CCN(C(=O)CSCC(N)=O)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106832435 441376926 /nfs/dbraw/zinc/37/69/26/441376926.db2.gz MAYKNQHNCOHKLY-ZBFHGGJFSA-N 1 0 349.500 1.889 50 0 EDAARO CCC[NH+]1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000027968816 441420221 /nfs/dbraw/zinc/42/02/21/441420221.db2.gz MXUZTXAYMWGGAU-UHFFFAOYSA-N 1 0 329.242 1.590 50 0 EDAARO CN1CCn2nc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc2C1 ZINC000065372450 441420310 /nfs/dbraw/zinc/42/03/10/441420310.db2.gz WWGYWNGHILOVAB-KRWDZBQOSA-N 1 0 327.432 1.361 50 0 EDAARO CCCN1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000065397248 441424852 /nfs/dbraw/zinc/42/48/52/441424852.db2.gz YRYVPKJMQJPQAL-KRWDZBQOSA-N 1 0 329.444 1.892 50 0 EDAARO COc1ccc([C@H](CNC(=O)N[C@@H](C)c2nncn2C)[NH+](C)C)cc1 ZINC000065454296 441436774 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Cn1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1=O ZINC000031543072 441528841 /nfs/dbraw/zinc/52/88/41/441528841.db2.gz COCITEGXGBQXEK-KRWDZBQOSA-N 1 0 325.412 1.780 50 0 EDAARO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000089272399 441534359 /nfs/dbraw/zinc/53/43/59/441534359.db2.gz ZYTVBFRMABGZNU-UHFFFAOYSA-N 1 0 326.462 1.941 50 0 EDAARO CCc1nc2n(n1)C[C@H]([NH2+]CC(=O)N1CCCc3ccccc31)CC2 ZINC000075603566 441539500 /nfs/dbraw/zinc/53/95/00/441539500.db2.gz RXJGBLVLUCJUFQ-OAHLLOKOSA-N 1 0 339.443 1.724 50 0 EDAARO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccnc2)cc1 ZINC000089363688 441541933 /nfs/dbraw/zinc/54/19/33/441541933.db2.gz FBSLRIIQXFSZEC-INIZCTEOSA-N 1 0 330.384 1.740 50 0 EDAARO COc1ccccc1[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH+]1CCCCC1 ZINC000089473463 441555356 /nfs/dbraw/zinc/55/53/56/441555356.db2.gz UKRYUABKBVVELT-HUUCEWRRSA-N 1 0 346.431 1.020 50 0 EDAARO COCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cncn3)c(F)c2)CC1 ZINC000076041550 441581487 /nfs/dbraw/zinc/58/14/87/441581487.db2.gz 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O=C(NCc1ccc(Br)cc1Cl)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262345266 443191037 /nfs/dbraw/zinc/19/10/37/443191037.db2.gz GOWRAKOXVDQHRA-GXSJLCMTSA-N 1 0 333.613 1.442 50 0 EDAARO O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269201671 443230698 /nfs/dbraw/zinc/23/06/98/443230698.db2.gz YWEKFKPGUSHRES-UONOGXRCSA-N 1 0 329.425 1.960 50 0 EDAARO C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1cccs1 ZINC000241693976 443209259 /nfs/dbraw/zinc/20/92/59/443209259.db2.gz QJLCUMPETVLITL-SOUVJXGZSA-N 1 0 349.500 1.958 50 0 EDAARO CSCC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000244685554 443213207 /nfs/dbraw/zinc/21/32/07/443213207.db2.gz ISFQLCGDUBAPMG-ZCDVPAHGSA-N 1 0 331.485 1.033 50 0 EDAARO [NH3+][C@H]1CN(C(=O)CN2CCCCCC2=O)CC[C@@H]1c1ccc(F)cc1 ZINC000297337950 444282989 /nfs/dbraw/zinc/28/29/89/444282989.db2.gz YFOPIROMUOBXIK-SJORKVTESA-N 1 0 347.434 1.872 50 0 EDAARO Cc1c(C(=O)N2CCN(Cc3ccco3)[C@H](CCO)C2)ccn1C ZINC000426529419 447465346 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C[C@H](c1ccc(C(=O)NCCN2CCOCC2)o1)[NH+]1CCCCC1 ZINC000055283109 214301390 /nfs/dbraw/zinc/30/13/90/214301390.db2.gz LUEREEYBTNVRGD-OAHLLOKOSA-N 1 0 335.448 1.889 50 0 EDAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000004687826 210248126 /nfs/dbraw/zinc/24/81/26/210248126.db2.gz HOIPITSALYMZEM-RBSFLKMASA-N 1 0 345.509 1.037 50 0 EDAARO COc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c(Br)c1OC ZINC000055903901 214347839 /nfs/dbraw/zinc/34/78/39/214347839.db2.gz PXXIKEHPJBMXJE-JTQLQIEISA-N 1 0 343.221 1.774 50 0 EDAARO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cnsn1 ZINC000174853101 231326090 /nfs/dbraw/zinc/32/60/90/231326090.db2.gz WARQEYOXWRRENX-MRXNPFEDSA-N 1 0 346.456 1.714 50 0 EDAARO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)[C@@H]1CC=CCC1 ZINC000229267565 282270381 /nfs/dbraw/zinc/27/03/81/282270381.db2.gz QDLQCCMHVZDNFQ-MRXNPFEDSA-N 1 0 345.491 1.843 50 0 EDAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2cc(C(C)C)on2)c1=O ZINC000065488315 214928192 /nfs/dbraw/zinc/92/81/92/214928192.db2.gz MXDPGXYDCXSNGD-UHFFFAOYSA-N 1 0 333.436 1.767 50 0 EDAARO CCOC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000003605772 210064565 /nfs/dbraw/zinc/06/45/65/210064565.db2.gz QUQHMYINPZYFHM-UHFFFAOYSA-N 1 0 347.400 1.549 50 0 EDAARO COC(=O)C1(CS(=O)(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)CCC1 ZINC000685945114 539584286 /nfs/dbraw/zinc/58/42/86/539584286.db2.gz WAGXJRUGAVSPSS-CHWSQXEVSA-N 1 0 344.477 1.122 50 0 EDAARO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000685944998 539584154 /nfs/dbraw/zinc/58/41/54/539584154.db2.gz NJDLCCVDOMFINF-OASPWFOLSA-N 1 0 337.363 1.384 50 0 EDAARO C[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000067465220 215149804 /nfs/dbraw/zinc/14/98/04/215149804.db2.gz FCOTXFOKAXDPHD-OAHLLOKOSA-N 1 0 346.475 1.920 50 0 EDAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CNC(N)=O)C2)cc1C ZINC000067725509 215196781 /nfs/dbraw/zinc/19/67/81/215196781.db2.gz SLTOKOBJELSDCO-MRXNPFEDSA-N 1 0 332.448 1.300 50 0 EDAARO O=C(NCC1CC[NH+](Cc2cccc(O)c2)CC1)c1ccc(=O)[nH]c1 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Cc1cnn(CCNc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)c1 ZINC000072433580 216228096 /nfs/dbraw/zinc/22/80/96/216228096.db2.gz WKVRNUIOERFDIE-UHFFFAOYSA-N 1 0 349.442 1.844 50 0 EDAARO Cc1cc(C)n(CC2(CNc3nc(N)nc4c3CC[NH2+]CC4)CC2)n1 ZINC000072476759 216253778 /nfs/dbraw/zinc/25/37/78/216253778.db2.gz BORLJWMVFGJHOP-UHFFFAOYSA-N 1 0 341.463 1.453 50 0 EDAARO CCC[NH+]1CCN(CCNC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000023116735 212349682 /nfs/dbraw/zinc/34/96/82/212349682.db2.gz ABFBCLZDYSSDKK-UHFFFAOYSA-N 1 0 334.420 1.564 50 0 EDAARO COc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C)CC1 ZINC000022999767 212342096 /nfs/dbraw/zinc/34/20/96/212342096.db2.gz IUDKHUCGXZAVBL-UHFFFAOYSA-N 1 0 332.853 1.969 50 0 EDAARO CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000022999510 212342158 /nfs/dbraw/zinc/34/21/58/212342158.db2.gz UJYSVNDNDAMXSZ-UHFFFAOYSA-N 1 0 341.253 1.810 50 0 EDAARO Cc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000022919103 212334335 /nfs/dbraw/zinc/33/43/35/212334335.db2.gz SCHGBAZTMFHLKF-HNNXBMFYSA-N 1 0 344.459 1.489 50 0 EDAARO CC[NH+]1CCN(C[C@H](O)COCCOc2cccc(OC)c2)CC1 ZINC000022466281 212299117 /nfs/dbraw/zinc/29/91/17/212299117.db2.gz WAARIOJPUYZEBY-INIZCTEOSA-N 1 0 338.448 1.089 50 0 EDAARO CC(C)(C[NH+]1CCC([C@@H](O)c2ccccn2)CC1)N1CCOCC1 ZINC000215307927 241118465 /nfs/dbraw/zinc/11/84/65/241118465.db2.gz XWIUACKDBVMWDZ-GOSISDBHSA-N 1 0 333.476 1.938 50 0 EDAARO Cc1nn(CC(=O)N2CCC([NH+]3CCSCC3)CC2)c(C)c1C ZINC000215700288 241140082 /nfs/dbraw/zinc/14/00/82/241140082.db2.gz XRFXCGVSTVUZJE-UHFFFAOYSA-N 1 0 336.505 1.848 50 0 EDAARO CCOc1cc(CN2CC[N@H+](C)[C@H](CO)C2)c(Cl)cc1OC ZINC000215417396 241125069 /nfs/dbraw/zinc/12/50/69/241125069.db2.gz JUDDLRVKSIXXRE-ZDUSSCGKSA-N 1 0 328.840 1.856 50 0 EDAARO C[C@H]1CN(Cc2nnnn2C2CC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229376265 242159049 /nfs/dbraw/zinc/15/90/49/242159049.db2.gz GITMWPVYQOSZFT-WMLDXEAASA-N 1 0 342.447 1.248 50 0 EDAARO CC[C@H]1CN(C[C@@H](O)COc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000229387071 242162467 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C[C@@H](NS(=O)(=O)c1ccnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000241897292 243006353 /nfs/dbraw/zinc/00/63/53/243006353.db2.gz TXMDFIGMVJBYMQ-GDBMZVCRSA-N 1 0 348.472 1.609 50 0 EDAARO O=C(c1ccc(OC(F)F)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000244873519 243092414 /nfs/dbraw/zinc/09/24/14/243092414.db2.gz WRNPJNUMGXPOMM-CYBMUJFWSA-N 1 0 325.359 1.408 50 0 EDAARO [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCCc1nc2cc(F)ccc2[nH]1 ZINC000244719107 243067981 /nfs/dbraw/zinc/06/79/81/243067981.db2.gz LXDYXOUDLQLFFZ-KRRMDGCSSA-N 1 0 328.391 1.900 50 0 EDAARO COc1cc(F)c(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)cc1OC ZINC000077438217 216903212 /nfs/dbraw/zinc/90/32/12/216903212.db2.gz KJCQZYJOBANDQC-UHFFFAOYSA-N 1 0 337.351 1.017 50 0 EDAARO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000241684899 284159460 /nfs/dbraw/zinc/15/94/60/284159460.db2.gz QGEMTZDZMGYXRC-FGTMMUONSA-N 1 0 330.428 1.404 50 0 EDAARO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3COc4ccccc43)ccn2)CC1 ZINC000078999452 217170636 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C[N@@H+]1CCN(Cc2noc(C3CCCC3)n2)C[C@]12CCNC(=O)CC2 ZINC000091680795 218046544 /nfs/dbraw/zinc/04/65/44/218046544.db2.gz HJIJLPVQAPVKFW-SFHVURJKSA-N 1 0 347.463 1.514 50 0 EDAARO CCS(=O)(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698033 211238896 /nfs/dbraw/zinc/23/88/96/211238896.db2.gz SZOYXJNBPMWOLN-UHFFFAOYSA-N 1 0 348.432 1.087 50 0 EDAARO C[NH+](C)CC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000011698742 211238991 /nfs/dbraw/zinc/23/89/91/211238991.db2.gz FVHLUTVUYUORSJ-GFCCVEGCSA-N 1 0 343.349 1.484 50 0 EDAARO CC(C)C(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697907 211238153 /nfs/dbraw/zinc/23/81/53/211238153.db2.gz ZVKVJCDXEPTGOS-UHFFFAOYSA-N 1 0 326.404 1.920 50 0 EDAARO COc1ccccc1N1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1(C)C ZINC000091635808 218036885 /nfs/dbraw/zinc/03/68/85/218036885.db2.gz ULYAZSIBPSWKFZ-HNNXBMFYSA-N 1 0 347.459 1.501 50 0 EDAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(CCn1c3ccccc3oc1=O)C2 ZINC000091818084 218070577 /nfs/dbraw/zinc/07/05/77/218070577.db2.gz QLNZVQUNNYZRAJ-JKSUJKDBSA-N 1 0 345.443 1.637 50 0 EDAARO COCCN1CC[C@]2(C[N@H+](CCC=C(C)C)CCN2C)CCC1=O ZINC000091876673 218081724 /nfs/dbraw/zinc/08/17/24/218081724.db2.gz DEVXIBPCZCFEOJ-IBGZPJMESA-N 1 0 337.508 1.988 50 0 EDAARO O=C1N(C2CCOCC2)CCC[C@@]12CC[N@H+](CCCn1ccnc1)C2 ZINC000091872551 218082029 /nfs/dbraw/zinc/08/20/29/218082029.db2.gz XXXATYQRIRJFLD-IBGZPJMESA-N 1 0 346.475 1.767 50 0 EDAARO O=C(CCCc1cn[nH]c1)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091997210 218100968 /nfs/dbraw/zinc/10/09/68/218100968.db2.gz IAIQHWSXNPIYER-SJORKVTESA-N 1 0 334.464 1.285 50 0 EDAARO Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)n1 ZINC000095383756 218315593 /nfs/dbraw/zinc/31/55/93/218315593.db2.gz IQWAOUQUHOMBBR-CQSZACIVSA-N 1 0 344.415 1.242 50 0 EDAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2nc(-c3ncccn3)no2)C1 ZINC000095385446 218316363 /nfs/dbraw/zinc/31/63/63/218316363.db2.gz KDVKYNCATJCMST-GFCCVEGCSA-N 1 0 330.392 1.265 50 0 EDAARO O=C(NCc1ccnc(N2CCCC2)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 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CNc1nc(N2CC[NH+](CC(C)(C)O)CC2)ncc1Br ZINC000132293063 533082316 /nfs/dbraw/zinc/08/23/16/533082316.db2.gz VLBFRMYIYILXOB-UHFFFAOYSA-N 1 0 344.257 1.174 50 0 EDAARO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000097231048 219000466 /nfs/dbraw/zinc/00/04/66/219000466.db2.gz BWOPOPUQJREOPL-XHSDSOJGSA-N 1 0 336.457 1.424 50 0 EDAARO COc1cc(C[NH2+]CCO)cc(I)c1OC ZINC000004840079 210294381 /nfs/dbraw/zinc/29/43/81/210294381.db2.gz OFMJWVBECCCGIH-UHFFFAOYSA-N 1 0 337.157 1.390 50 0 EDAARO Cn1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1=O ZINC000097528923 219033846 /nfs/dbraw/zinc/03/38/46/219033846.db2.gz IVPSXEKIBGESCJ-UHFFFAOYSA-N 1 0 333.432 1.150 50 0 EDAARO Cc1ncsc1CCCNC(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426545429 257963393 /nfs/dbraw/zinc/96/33/93/257963393.db2.gz QVRLGCJGWZNBHI-AWEZNQCLSA-N 1 0 347.488 1.864 50 0 EDAARO COc1ccc([C@@H]2[C@H](C(=O)N3CC[C@@H](C[NH3+])C3)CC(=O)N2C)cc1 ZINC000299739839 258010135 /nfs/dbraw/zinc/01/01/35/258010135.db2.gz RVZSCVIDWWEZHP-XGWLTEMNSA-N 1 0 331.416 1.022 50 0 EDAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2n[nH]nc2c1 ZINC000299782134 258090816 /nfs/dbraw/zinc/09/08/16/258090816.db2.gz VEGRAXWAINETSS-CYBMUJFWSA-N 1 0 332.408 1.532 50 0 EDAARO COc1ccccc1OCCC[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299796226 258100272 /nfs/dbraw/zinc/10/02/72/258100272.db2.gz NLVFQHYRHKDVGV-JKSUJKDBSA-N 1 0 344.415 1.901 50 0 EDAARO [NH3+]CCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1 ZINC000299796442 258100352 /nfs/dbraw/zinc/10/03/52/258100352.db2.gz NXHZYOMTXGMUQM-UHFFFAOYSA-N 1 0 327.432 1.526 50 0 EDAARO Cc1cccc2[nH]c(CCNC(=O)CN3CCC[N@@H+](C)CC3)nc21 ZINC000299762786 258079035 /nfs/dbraw/zinc/07/90/35/258079035.db2.gz AWBLDCKXJYHVLN-UHFFFAOYSA-N 1 0 329.448 1.168 50 0 EDAARO Cc1ncn(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000299764745 258079967 /nfs/dbraw/zinc/07/99/67/258079967.db2.gz KPDIQQPDODPGKZ-UHFFFAOYSA-N 1 0 327.432 1.676 50 0 EDAARO CC[C@@H]1CN([C@H](C)C(=O)N2CCCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000241401130 287209916 /nfs/dbraw/zinc/20/99/16/287209916.db2.gz NBJXCLMZRGOBQS-BRWVUGGUSA-N 1 0 325.497 1.555 50 0 EDAARO COCC[N@@H+]1CCCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000065440628 274026158 /nfs/dbraw/zinc/02/61/58/274026158.db2.gz XVADNPVKZRYNRE-INIZCTEOSA-N 1 0 333.432 1.874 50 0 EDAARO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C12CCCCC2 ZINC000095988034 276344915 /nfs/dbraw/zinc/34/49/15/276344915.db2.gz MFHUJTBANCTQJI-HUUCEWRRSA-N 1 0 330.494 1.739 50 0 EDAARO Cn1cnc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000225790109 276801698 /nfs/dbraw/zinc/80/16/98/276801698.db2.gz WXGSKYIXOKKZRO-ZDUSSCGKSA-N 1 0 336.827 1.571 50 0 EDAARO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000241515514 279158323 /nfs/dbraw/zinc/15/83/23/279158323.db2.gz OFXTZMWLOZLXQW-OWCLPIDISA-N 1 0 341.496 1.584 50 0 EDAARO O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000241160592 279828292 /nfs/dbraw/zinc/82/82/92/279828292.db2.gz JYLMBBJIJSKGOB-IMJJTQAJSA-N 1 0 329.448 1.482 50 0 EDAARO CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)CCO1 ZINC000067817753 280017055 /nfs/dbraw/zinc/01/70/55/280017055.db2.gz BSRFRJTXABPGBN-IRXDYDNUSA-N 1 0 337.508 1.676 50 0 EDAARO Cc1nc2c(c(N3CCC(c4nncn4C)CC3)n1)CC[N@H+](C)CC2 ZINC000065429404 282009180 /nfs/dbraw/zinc/00/91/80/282009180.db2.gz ACWOQCQUDVYEKD-UHFFFAOYSA-N 1 0 341.463 1.328 50 0 EDAARO C[NH+](C)C1(CNC(=O)c2ccccc2N2CCOCC2)CCOCC1 ZINC000172224089 282042440 /nfs/dbraw/zinc/04/24/40/282042440.db2.gz JCHXSTWYSPNIFS-UHFFFAOYSA-N 1 0 347.459 1.364 50 0 EDAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C\c1ccncc1 ZINC000103933222 289018494 /nfs/dbraw/zinc/01/84/94/289018494.db2.gz AJHSDAWOTQRNSM-MWWKQMNYSA-N 1 0 330.432 1.154 50 0 EDAARO CO[C@H]1[C@H](NC(=O)c2ccnn2C)c2ccccc2C12CC[NH2+]CC2 ZINC000072480844 294683234 /nfs/dbraw/zinc/68/32/34/294683234.db2.gz LLXOESFXJFURGE-SJORKVTESA-N 1 0 340.427 1.541 50 0 EDAARO COc1cccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000000153848 440803939 /nfs/dbraw/zinc/80/39/39/440803939.db2.gz VZIMENBDZGGJKA-UHFFFAOYSA-N 1 0 345.443 1.641 50 0 EDAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)Nc1ccon1 ZINC000043940890 440810605 /nfs/dbraw/zinc/81/06/05/440810605.db2.gz UZHYJCXIZMVUSP-UHFFFAOYSA-N 1 0 348.428 1.703 50 0 EDAARO C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@@H+]3CC[C@H](OC1=O)[C@H]23 ZINC000000899337 440836340 /nfs/dbraw/zinc/83/63/40/440836340.db2.gz BTHCJHQOYFUIMG-UXRHDRSGSA-N 1 0 337.416 1.273 50 0 EDAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000044534453 440854651 /nfs/dbraw/zinc/85/46/51/440854651.db2.gz VYVPYPQHXIERLY-HUUCEWRRSA-N 1 0 338.496 1.474 50 0 EDAARO O=C(CCn1cnc2sccc2c1=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044942089 440917246 /nfs/dbraw/zinc/91/72/46/440917246.db2.gz FBQDPFRKEZJVPT-UONOGXRCSA-N 1 0 346.456 1.591 50 0 EDAARO Cn1c2ccccc2n(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1=O ZINC000044942048 440917257 /nfs/dbraw/zinc/91/72/57/440917257.db2.gz TXNDNGJBDPETFR-ZIAGYGMSSA-N 1 0 328.416 1.083 50 0 EDAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccn3)C2=O)cc1 ZINC000002814725 440879781 /nfs/dbraw/zinc/87/97/81/440879781.db2.gz VTCIKDFHRDZAAQ-MRXNPFEDSA-N 1 0 325.368 1.554 50 0 EDAARO CCOc1cc2c(cc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1)O[C@H](C)C2 ZINC000044862947 440893824 /nfs/dbraw/zinc/89/38/24/440893824.db2.gz FUABRHBUXFYZHN-OLZOCXBDSA-N 1 0 339.457 1.933 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000044890054 440898140 /nfs/dbraw/zinc/89/81/40/440898140.db2.gz JQNTZWHKPOFYRG-OAHLLOKOSA-N 1 0 331.395 1.929 50 0 EDAARO COc1ccc(OC[C@@H](O)C[NH+](CCO)CCO)c(C(C)(C)C)c1 ZINC000006552183 440998380 /nfs/dbraw/zinc/99/83/80/440998380.db2.gz BYINXSWQNYJQKF-AWEZNQCLSA-N 1 0 341.448 1.019 50 0 EDAARO Cc1nc2ccccc2n1CC(=O)N1C[C@H]2CCC[C@@H](C1)N(C)C2=O ZINC000426408906 447437169 /nfs/dbraw/zinc/43/71/69/447437169.db2.gz HQJNRGURZCDBRE-CABCVRRESA-N 1 0 340.427 1.814 50 0 EDAARO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)c(N(C)C)c(F)c2)C1 ZINC000069971878 441098569 /nfs/dbraw/zinc/09/85/69/441098569.db2.gz KMQZKPKRWOBUQK-LLVKDONJSA-N 1 0 342.390 1.873 50 0 EDAARO CCN(CC)S(=O)(=O)CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000070015345 441104193 /nfs/dbraw/zinc/10/41/93/441104193.db2.gz JVOAFSDRXOKRON-OAHLLOKOSA-N 1 0 347.525 1.286 50 0 EDAARO c1ncn(C[C@@H]2CCC[N@H+]2CCCc2nnnn2-c2ccccc2)n1 ZINC000070040878 441107829 /nfs/dbraw/zinc/10/78/29/441107829.db2.gz YCSOPKPXKUSRGW-INIZCTEOSA-N 1 0 338.419 1.351 50 0 EDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000069949993 441094913 /nfs/dbraw/zinc/09/49/13/441094913.db2.gz DBLLILYNGUILSF-CABCVRRESA-N 1 0 326.404 1.361 50 0 EDAARO CN1CCC[C@](O)(C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1=O ZINC000012704965 441139838 /nfs/dbraw/zinc/13/98/38/441139838.db2.gz NBJJPCVMNMDBNT-SFHVURJKSA-N 1 0 328.416 1.004 50 0 EDAARO CNC(=O)NC(=O)CC[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000058244468 441164353 /nfs/dbraw/zinc/16/43/53/441164353.db2.gz NKIXXBUXWGZMRX-UHFFFAOYSA-N 1 0 333.432 1.992 50 0 EDAARO COCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC1 ZINC000058246453 441164955 /nfs/dbraw/zinc/16/49/55/441164955.db2.gz OUUDEDZFOJYESU-GOSISDBHSA-N 1 0 342.443 1.653 50 0 EDAARO C[NH+](C)CCCNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000071853819 441170212 /nfs/dbraw/zinc/17/02/12/441170212.db2.gz LGHYWXYQHCFUEH-UHFFFAOYSA-N 1 0 342.325 1.363 50 0 EDAARO Cc1ccnc(NC(=O)C2CC[NH+](CCCC(=O)NC(N)=O)CC2)c1 ZINC000058283024 441172133 /nfs/dbraw/zinc/17/21/33/441172133.db2.gz DYGDDKSFPLETLV-UHFFFAOYSA-N 1 0 347.419 1.016 50 0 EDAARO O[C@@H](CN1CCc2ccccc2C1)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071876977 441179770 /nfs/dbraw/zinc/17/97/70/441179770.db2.gz AXUTWZNECNLSQY-UXHICEINSA-N 1 0 340.471 1.767 50 0 EDAARO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000058341783 441182871 /nfs/dbraw/zinc/18/28/71/441182871.db2.gz FOSPMTAUKYVUEF-VXGBXAGGSA-N 1 0 342.440 1.149 50 0 EDAARO C[C@H]([NH2+][C@@H](C)[C@H](C)n1cccn1)C(=O)Nc1sccc1C(N)=O ZINC000071882140 441183326 /nfs/dbraw/zinc/18/33/26/441183326.db2.gz UKOULKOFIWDNOK-DCAQKATOSA-N 1 0 335.433 1.610 50 0 EDAARO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)NC1CCN(C(=O)C2CC2)CC1 ZINC000071882541 441183431 /nfs/dbraw/zinc/18/34/31/441183431.db2.gz GJMQGYMXWAEANB-MRXNPFEDSA-N 1 0 348.491 1.704 50 0 EDAARO O=C(NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccn[nH]1 ZINC000071896499 441187789 /nfs/dbraw/zinc/18/77/89/441187789.db2.gz LWNCTDNOHPLPBO-UHFFFAOYSA-N 1 0 341.415 1.165 50 0 EDAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2C ZINC000014732479 441188443 /nfs/dbraw/zinc/18/84/43/441188443.db2.gz CIHMWFCRZHNFMG-UHFFFAOYSA-N 1 0 333.436 1.366 50 0 EDAARO CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)C[NH+](C)C)C2 ZINC000071750731 441151125 /nfs/dbraw/zinc/15/11/25/441151125.db2.gz OHJBZAPLJNIXCY-UHFFFAOYSA-N 1 0 339.443 1.656 50 0 EDAARO Cc1ccsc1[C@H](CNC(=O)c1ccn2nnnc2c1)[NH+](C)C ZINC000071753617 441152180 /nfs/dbraw/zinc/15/21/80/441152180.db2.gz CVBVLDLFZSZKAZ-LBPRGKRZSA-N 1 0 330.417 1.527 50 0 EDAARO O=c1c2ccsc2ncn1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000058137685 441152736 /nfs/dbraw/zinc/15/27/36/441152736.db2.gz UQLJSRCGOTZLLA-OAHLLOKOSA-N 1 0 341.436 1.877 50 0 EDAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3n[nH]c4ccccc43)CC2)CCO1 ZINC000071821656 441160436 /nfs/dbraw/zinc/16/04/36/441160436.db2.gz CYSFJAMULNUGEJ-CYBMUJFWSA-N 1 0 328.416 1.888 50 0 EDAARO c1cn(-c2ccc(C[NH2+]Cc3cnc(N4CCCC4)nc3)cn2)cn1 ZINC000058230285 441163169 /nfs/dbraw/zinc/16/31/69/441163169.db2.gz KUWXPQMZDJDMNO-UHFFFAOYSA-N 1 0 335.415 1.947 50 0 EDAARO C[NH2+]CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072480929 441231992 /nfs/dbraw/zinc/23/19/92/441231992.db2.gz OTQOSNIGKJCVJK-GOSISDBHSA-N 1 0 330.432 1.032 50 0 EDAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH+]1CCC(O)CC1 ZINC000014962996 441192526 /nfs/dbraw/zinc/19/25/26/441192526.db2.gz QPCNOQHOZDYPKL-IBGZPJMESA-N 1 0 338.492 1.767 50 0 EDAARO CC[NH+](CC)CCNC(=O)CCCn1nnc(-c2ccccc2)n1 ZINC000058420444 441193416 /nfs/dbraw/zinc/19/34/16/441193416.db2.gz PNECTPPLZMVDND-UHFFFAOYSA-N 1 0 330.436 1.578 50 0 EDAARO Cc1cccc(N2CC[NH+](CCCNC(=O)c3nccn3C)CC2)c1 ZINC000071921816 441198383 /nfs/dbraw/zinc/19/83/83/441198383.db2.gz ZBLZHGKOYPLDNE-UHFFFAOYSA-N 1 0 341.459 1.671 50 0 EDAARO Cc1cccc(OCCN2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000072253360 441209567 /nfs/dbraw/zinc/20/95/67/441209567.db2.gz TWXGDFMSHURFGY-ICSRJNTNSA-N 1 0 347.503 1.711 50 0 EDAARO Cc1ccc(CN(C)C(=O)C[NH2+]C[C@@H]2CCCN2c2cccnn2)o1 ZINC000072267407 441210742 /nfs/dbraw/zinc/21/07/42/441210742.db2.gz DUEIHERTXUFDLS-HNNXBMFYSA-N 1 0 343.431 1.595 50 0 EDAARO CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000015864101 441212496 /nfs/dbraw/zinc/21/24/96/441212496.db2.gz ILGDONMITPPGSL-UHFFFAOYSA-N 1 0 343.349 1.599 50 0 EDAARO CCOc1ccc(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000072269483 441213657 /nfs/dbraw/zinc/21/36/57/441213657.db2.gz QTWPPSSBDAZYPJ-ZWKOTPCHSA-N 1 0 332.444 1.685 50 0 EDAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CC(=O)N2CC(=O)Nc3ccccc32)c1 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COc1cccc(NC(=O)Nc2cnn(C[C@H](O)C[NH+](C)C)c2)c1 ZINC000069700256 442013224 /nfs/dbraw/zinc/01/32/24/442013224.db2.gz OWVJQOAYCRVVFE-CQSZACIVSA-N 1 0 333.392 1.458 50 0 EDAARO C[C@@H]1CCCC[C@H]1OCC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000079043706 442012031 /nfs/dbraw/zinc/01/20/31/442012031.db2.gz ARVNKEOSQYVCQQ-IAGOWNOFSA-N 1 0 325.497 1.726 50 0 EDAARO CC[N@H+](C)Cc1cccc(CNC(=O)CCCN2C(=O)CNC2=O)c1 ZINC000096134049 442042160 /nfs/dbraw/zinc/04/21/60/442042160.db2.gz BGVUBNPBYQQMET-UHFFFAOYSA-N 1 0 346.431 1.087 50 0 EDAARO Cc1nn(CC(C)C)c(N(C)C)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000069709856 442020483 /nfs/dbraw/zinc/02/04/83/442020483.db2.gz WWVXASCYWGQAJX-AWEZNQCLSA-N 1 0 342.509 1.438 50 0 EDAARO CC[C@@H]1CN(C[C@H](O)COc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000069738036 442024611 /nfs/dbraw/zinc/02/46/11/442024611.db2.gz WVYAGOKYDNCKJY-MSOLQXFVSA-N 1 0 336.476 1.777 50 0 EDAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(=O)n3ccccc3n2)n1 ZINC000069738308 442024754 /nfs/dbraw/zinc/02/47/54/442024754.db2.gz FGXARFOMFGTUER-INIZCTEOSA-N 1 0 338.415 1.567 50 0 EDAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N[C@H]1CCCc2ccccc21 ZINC000069740460 442027429 /nfs/dbraw/zinc/02/74/29/442027429.db2.gz OSROEISDLLEKRQ-ZBFHGGJFSA-N 1 0 325.416 1.376 50 0 EDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000069772311 442034874 /nfs/dbraw/zinc/03/48/74/442034874.db2.gz HXUJOATZCAJFNY-HNNXBMFYSA-N 1 0 334.416 1.580 50 0 EDAARO CCc1cnc(C)nc1N1CCC([NH2+]CCCn2cncn2)CC1 ZINC000096141941 442043821 /nfs/dbraw/zinc/04/38/21/442043821.db2.gz LJHZJVHTLCMUSV-UHFFFAOYSA-N 1 0 329.452 1.588 50 0 EDAARO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000125756119 442045563 /nfs/dbraw/zinc/04/55/63/442045563.db2.gz RCGIRNNLOCUHOI-JTQLQIEISA-N 1 0 330.837 1.568 50 0 EDAARO c1ccc(-n2nnnc2C[NH2+]C[C@H]2CCCN2c2cccnn2)cc1 ZINC000069810612 442045957 /nfs/dbraw/zinc/04/59/57/442045957.db2.gz NFYJGWZBTUGRKJ-OAHLLOKOSA-N 1 0 336.403 1.211 50 0 EDAARO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(n2cncn2)CC1 ZINC000069841581 442052966 /nfs/dbraw/zinc/05/29/66/442052966.db2.gz WRGUMLGVSPYXCG-UHFFFAOYSA-N 1 0 348.432 1.104 50 0 EDAARO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000069919986 442074447 /nfs/dbraw/zinc/07/44/47/442074447.db2.gz PVCRPHRMUUQCOX-QGZVFWFLSA-N 1 0 327.432 1.615 50 0 EDAARO O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000096472611 442138861 /nfs/dbraw/zinc/13/88/61/442138861.db2.gz QFFVKNURLIXLAD-HOTGVXAUSA-N 1 0 330.494 1.836 50 0 EDAARO Cc1cccc(C)c1C[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000097147489 442175948 /nfs/dbraw/zinc/17/59/48/442175948.db2.gz ZFRWBNKBYAGKHV-UHFFFAOYSA-N 1 0 336.501 1.998 50 0 EDAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000097159711 442177061 /nfs/dbraw/zinc/17/70/61/442177061.db2.gz QULQEIILILYJFI-CYBMUJFWSA-N 1 0 340.431 1.924 50 0 EDAARO Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC000097159869 442177155 /nfs/dbraw/zinc/17/71/55/442177155.db2.gz QGMLYRRZFAHLLS-UHFFFAOYSA-N 1 0 326.404 1.363 50 0 EDAARO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)CC2 ZINC000097199536 442182184 /nfs/dbraw/zinc/18/21/84/442182184.db2.gz UBBVNTMYCPQLPL-NWDGAFQWSA-N 1 0 333.461 1.511 50 0 EDAARO C[NH+](C)[C@@H](CNc1ncnc2c1cnn2CCO)c1ccc(F)cc1 ZINC000097200284 442183743 /nfs/dbraw/zinc/18/37/43/442183743.db2.gz ZVIUHSFRNKAKQZ-HNNXBMFYSA-N 1 0 344.394 1.673 50 0 EDAARO Cc1cccc(NC[C@@H]2CCN(CC(=O)Nc3nncs3)C2)[nH+]1 ZINC000097200941 442184209 /nfs/dbraw/zinc/18/42/09/442184209.db2.gz CZDRDKYWNVWHSW-LBPRGKRZSA-N 1 0 332.433 1.614 50 0 EDAARO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000097083283 442164380 /nfs/dbraw/zinc/16/43/80/442164380.db2.gz JHTHPOMGCLIQTR-GDBMZVCRSA-N 1 0 333.407 1.498 50 0 EDAARO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2csc3ccccc23)C1 ZINC000171533767 442355231 /nfs/dbraw/zinc/35/52/31/442355231.db2.gz PFELRRLGHYMFAO-LBPRGKRZSA-N 1 0 331.441 1.828 50 0 EDAARO CCOc1ccccc1[C@H](CC(=O)N1CC[C@H](C[NH3+])C1)NC(C)=O ZINC000178541829 442442937 /nfs/dbraw/zinc/44/29/37/442442937.db2.gz VENATOHNZUXPIE-ZBFHGGJFSA-N 1 0 333.432 1.460 50 0 EDAARO CS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000134568300 442496267 /nfs/dbraw/zinc/49/62/67/442496267.db2.gz JMBUFWQODYYXID-UWVGGRQHSA-N 1 0 341.399 1.981 50 0 EDAARO C[C@@H]([NH3+])CCNS(=O)(=O)c1cc(F)ccc1Br ZINC000178912448 442523313 /nfs/dbraw/zinc/52/33/13/442523313.db2.gz VXQVLNGJYJVBTE-SSDOTTSWSA-N 1 0 325.203 1.604 50 0 EDAARO CCNC(=O)NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192102328 442592296 /nfs/dbraw/zinc/59/22/96/442592296.db2.gz HDBHDCIIHYCBJS-JSGCOSHPSA-N 1 0 343.786 1.744 50 0 EDAARO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccnn1C ZINC000193007650 442704872 /nfs/dbraw/zinc/70/48/72/442704872.db2.gz PSHITCUIMICIMJ-HUUCEWRRSA-N 1 0 328.416 1.751 50 0 EDAARO Cc1cc(=O)[nH]c([C@H](C)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000192576573 442665213 /nfs/dbraw/zinc/66/52/13/442665213.db2.gz RTFVMRKSULIGTP-AWEZNQCLSA-N 1 0 330.436 1.493 50 0 EDAARO COc1cccc(S(=O)(=O)CCN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247906937 442872692 /nfs/dbraw/zinc/87/26/92/442872692.db2.gz IHHHGBRHHCVUQQ-HNNXBMFYSA-N 1 0 338.473 1.639 50 0 EDAARO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)C(=O)NC[C@H]3CCCO3)C2)nn1 ZINC000247919657 442873627 /nfs/dbraw/zinc/87/36/27/442873627.db2.gz NJJJRKBRNKKSEE-HRCADAONSA-N 1 0 347.463 1.027 50 0 EDAARO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ncccn2)C[C@H]1CC ZINC000247439806 442853585 /nfs/dbraw/zinc/85/35/85/442853585.db2.gz ZSFOIGWOFAAFQT-HUUCEWRRSA-N 1 0 335.452 1.236 50 0 EDAARO O=C1[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1CC[C@@H]1CCCO1 ZINC000189349269 442926043 /nfs/dbraw/zinc/92/60/43/442926043.db2.gz YKEYCAOSZDGTLV-GVDBMIGSSA-N 1 0 328.412 1.673 50 0 EDAARO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000252476771 443025507 /nfs/dbraw/zinc/02/55/07/443025507.db2.gz BBYZWCPNMCNWEE-VVLHAWIVSA-N 1 0 340.512 1.061 50 0 EDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CO)c2ccc(F)cc2)C1 ZINC000252488055 443030521 /nfs/dbraw/zinc/03/05/21/443030521.db2.gz IIDVITFNSKXVGW-SJORKVTESA-N 1 0 338.423 1.375 50 0 EDAARO CC(C)[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cn1 ZINC000195555450 443031989 /nfs/dbraw/zinc/03/19/89/443031989.db2.gz AHHLIFBAJDYKOK-OAHLLOKOSA-N 1 0 329.441 1.931 50 0 EDAARO O=C(CNC(=O)c1ccccc1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252537052 443041944 /nfs/dbraw/zinc/04/19/44/443041944.db2.gz KFCUWSYTBCKZMJ-IAGOWNOFSA-N 1 0 329.444 1.797 50 0 EDAARO CCCn1cnnc1[C@H](C)NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000252667871 443046158 /nfs/dbraw/zinc/04/61/58/443046158.db2.gz DMBHCZNNYQJBTP-RWMBFGLXSA-N 1 0 346.439 1.213 50 0 EDAARO COc1cc(/C=C\C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc2c1OCCO2 ZINC000255373391 443096483 /nfs/dbraw/zinc/09/64/83/443096483.db2.gz IQUFCEXLRCJVRV-AIMRDXAKSA-N 1 0 332.400 1.688 50 0 EDAARO COc1coc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1=O ZINC000253394771 443053576 /nfs/dbraw/zinc/05/35/76/443053576.db2.gz AOXILHPWILAJIJ-UKRRQHHQSA-N 1 0 342.395 1.899 50 0 EDAARO COc1ccc(CC(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)cc1Cl ZINC000253412169 443059050 /nfs/dbraw/zinc/05/90/50/443059050.db2.gz QBXJZTYYFWXRHS-GXTWGEPZSA-N 1 0 326.824 1.272 50 0 EDAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000219633973 443059251 /nfs/dbraw/zinc/05/92/51/443059251.db2.gz QSJTULBCUNJFDS-QXCFHYIPSA-N 1 0 342.439 1.993 50 0 EDAARO COc1ccccc1CC(=O)N[C@@H]1COCC[C@@H]1OCC[NH+](C)C ZINC000220042323 443063158 /nfs/dbraw/zinc/06/31/58/443063158.db2.gz VUTSFVRANRTNHO-WBVHZDCISA-N 1 0 336.432 1.090 50 0 EDAARO COC[C@@H]1[C@H](NC(=O)C2CC[NH+](Cc3ccco3)CC2)[C@@H]2CCO[C@H]12 ZINC000220384394 443065325 /nfs/dbraw/zinc/06/53/25/443065325.db2.gz JNISBGXKRCYVQA-MLHJIOFPSA-N 1 0 348.443 1.658 50 0 EDAARO CC[C@@H]1C[C@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000221766809 443073842 /nfs/dbraw/zinc/07/38/42/443073842.db2.gz WEXXGUYNGKFFCM-BHIYHBOVSA-N 1 0 346.471 1.727 50 0 EDAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(c3ccncc3)=NO2)C1 ZINC000225357867 443100380 /nfs/dbraw/zinc/10/03/80/443100380.db2.gz CCWFGDIZERFUCT-WMLDXEAASA-N 1 0 330.432 1.811 50 0 EDAARO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1cn2c(n1)CCCC2 ZINC000225425145 443102779 /nfs/dbraw/zinc/10/27/79/443102779.db2.gz HCMROAIDOFLRSY-UHFFFAOYSA-N 1 0 349.460 1.073 50 0 EDAARO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000225576706 443113593 /nfs/dbraw/zinc/11/35/93/443113593.db2.gz CZIHGXQFMONHAG-XDQVBPFNSA-N 1 0 330.494 1.340 50 0 EDAARO Cc1nc(CN2CCC[C@H]([NH2+]C[C@@](C)(O)c3ccccc3)C2)no1 ZINC000229432237 443127329 /nfs/dbraw/zinc/12/73/29/443127329.db2.gz OGSQYBZCPFQRMH-FUHWJXTLSA-N 1 0 330.432 1.840 50 0 EDAARO CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229514998 443129397 /nfs/dbraw/zinc/12/93/97/443129397.db2.gz CMQKMFMJZOSTBE-MOPGFXCFSA-N 1 0 343.475 1.483 50 0 EDAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000229560431 443130569 /nfs/dbraw/zinc/13/05/69/443130569.db2.gz TUNVNEUDRRLJON-HDEZJCGLSA-N 1 0 337.464 1.098 50 0 EDAARO Cn1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1=O ZINC000261757633 443168341 /nfs/dbraw/zinc/16/83/41/443168341.db2.gz FCNURTCTAHGVFW-HNNXBMFYSA-N 1 0 331.803 1.825 50 0 EDAARO C[C@@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)[C@H]1C[NH3+] ZINC000237406168 443170691 /nfs/dbraw/zinc/17/06/91/443170691.db2.gz PHFHMTYETOOVLG-CJNGLKHVSA-N 1 0 328.416 1.372 50 0 EDAARO [NH3+][C@@H](C(=O)N1CCn2c(nnc2-c2ccccc2)C1)c1ccccc1 ZINC000237794449 443182645 /nfs/dbraw/zinc/18/26/45/443182645.db2.gz OBDAEVFSGAAQBH-QGZVFWFLSA-N 1 0 333.395 1.987 50 0 EDAARO Cc1cnn(-c2ccc(S(=O)(=O)N[C@@H]3CCC[NH2+]C3)cc2F)c1 ZINC000237922188 443188853 /nfs/dbraw/zinc/18/88/53/443188853.db2.gz XHBQJBYFANRLOT-GFCCVEGCSA-N 1 0 338.408 1.350 50 0 EDAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000238016255 443192503 /nfs/dbraw/zinc/19/25/03/443192503.db2.gz XSRCBGFXOZDIBV-OAGGEKHMSA-N 1 0 340.427 1.506 50 0 EDAARO CCCn1cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@H]2CC)cn1 ZINC000240555630 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COc1c(C[NH2+]Cc2ccccc2Cn2cncn2)c(C)nn1C ZINC000058405242 441190620 /nfs/dbraw/zinc/19/06/20/441190620.db2.gz SUKWQDMUPIBOJX-UHFFFAOYSA-N 1 0 326.404 1.667 50 0 EDAARO COc1c(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c(C)nn1C ZINC000058298922 441174962 /nfs/dbraw/zinc/17/49/62/441174962.db2.gz UHPPVTOMVCYLSY-UHFFFAOYSA-N 1 0 344.459 1.859 50 0 EDAARO O=C(CC[NH2+]Cc1cnc(N2CCCC2)nc1)NCc1ccccc1 ZINC000058325129 441178895 /nfs/dbraw/zinc/17/88/95/441178895.db2.gz HJSZOFHAGPGYMI-UHFFFAOYSA-N 1 0 339.443 1.873 50 0 EDAARO Cc1ccc([C@@H](CNC(=O)CNC(=O)c2ccoc2)[NH+](C)C)cc1 ZINC000058326020 441179763 /nfs/dbraw/zinc/17/97/63/441179763.db2.gz LYOYQOAVSRKTDR-MRXNPFEDSA-N 1 0 329.400 1.737 50 0 EDAARO C[C@@H](O)C[NH+]1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000071877169 441179822 /nfs/dbraw/zinc/17/98/22/441179822.db2.gz MVMKQWFRORQBHG-DOMZBBRYSA-N 1 0 343.265 1.481 50 0 EDAARO Cc1cnn(CC2CCN(C[C@H](O)C[NH+]3CCC(C)CC3)CC2)c1 ZINC000071877024 441180337 /nfs/dbraw/zinc/18/03/37/441180337.db2.gz YFPJCYJHUILUIK-LJQANCHMSA-N 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CCc1noc(CCCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000072269531 441213935 /nfs/dbraw/zinc/21/39/35/441213935.db2.gz YLFYGODHHWYLFL-UONOGXRCSA-N 1 0 336.436 1.012 50 0 EDAARO C[C@@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)[C@H](C)n1cccn1 ZINC000072269700 441214776 /nfs/dbraw/zinc/21/47/76/441214776.db2.gz PBJCNKKFBPFDDS-KGLIPLIRSA-N 1 0 334.395 1.757 50 0 EDAARO O=C([C@@H]1COc2ccccc2O1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000047717437 441221910 /nfs/dbraw/zinc/22/19/10/441221910.db2.gz UXHCWVAYFZZEMP-PBHICJAKSA-N 1 0 332.400 1.007 50 0 EDAARO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000072295742 441224639 /nfs/dbraw/zinc/22/46/39/441224639.db2.gz DFQOOEYKRRTMMD-IEBWSBKVSA-N 1 0 344.503 1.798 50 0 EDAARO CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000072702875 441251954 /nfs/dbraw/zinc/25/19/54/441251954.db2.gz NMSQKQYNNQQGPH-ZDUSSCGKSA-N 1 0 342.403 1.599 50 0 EDAARO CCOC(=O)[C@H]1CCC[N@H+](CCCc2nnnn2-c2ccccc2)C1 ZINC000048272771 441282764 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c1cnc(-c2n[nH]c(C[NH2+][C@H]3CCOC4(CCOCC4)C3)n2)cn1 ZINC000082098603 441332564 /nfs/dbraw/zinc/33/25/64/441332564.db2.gz ZZRILSZCDGBSPK-LBPRGKRZSA-N 1 0 330.392 1.080 50 0 EDAARO O=C(C[NH+]1CCC(c2nccn2CC2CC2)CC1)N1CCOCC1 ZINC000082166381 441338440 /nfs/dbraw/zinc/33/84/40/441338440.db2.gz RDBJIIRIBVZTQT-UHFFFAOYSA-N 1 0 332.448 1.331 50 0 EDAARO O=C(c1cc(-c2ccco2)n[nH]1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000048368904 441299741 /nfs/dbraw/zinc/29/97/41/441299741.db2.gz XRKJUHWVKYULDY-AWEZNQCLSA-N 1 0 344.415 1.997 50 0 EDAARO O[C@H](C[NH2+][C@H]1CCCN(c2cccnn2)C1)COc1ccc(F)cc1 ZINC000106840157 441378295 /nfs/dbraw/zinc/37/82/95/441378295.db2.gz SPBSQVNPKRSHPE-JKSUJKDBSA-N 1 0 346.406 1.614 50 0 EDAARO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N[C@H](C)C3CC3)C2)n1 ZINC000106519015 441348745 /nfs/dbraw/zinc/34/87/45/441348745.db2.gz DFYOCYQCRNLUNT-ZBFHGGJFSA-N 1 0 344.459 1.955 50 0 EDAARO CC(C)[NH+]1CCN(C(=O)C[C@H]2Sc3ncccc3N(C)C2=O)CC1 ZINC000065171909 441406010 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C[C@@H](CNS(=O)(=O)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000077616095 441815800 /nfs/dbraw/zinc/81/58/00/441815800.db2.gz ILOFRNPFEQXJQE-ZDUSSCGKSA-N 1 0 345.896 1.502 50 0 EDAARO CCC(CC)[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC000042869320 441794429 /nfs/dbraw/zinc/79/44/29/441794429.db2.gz CBCLCMNEFDNHDQ-GJZGRUSLSA-N 1 0 345.509 1.373 50 0 EDAARO CCS(=O)(=O)N1CCC([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000042922235 441798972 /nfs/dbraw/zinc/79/89/72/441798972.db2.gz IYGDDEYRXRNFRJ-UHFFFAOYSA-N 1 0 328.482 1.542 50 0 EDAARO Cc1ccc(N2CCC[C@H](N3CC[NH+](CC(C)(C)O)CC3)C2=O)cc1 ZINC000173637739 441809936 /nfs/dbraw/zinc/80/99/36/441809936.db2.gz GGDCSGAGNWGHTO-SFHVURJKSA-N 1 0 345.487 1.879 50 0 EDAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cccnc3)cc2)CC1 ZINC000078773313 441970400 /nfs/dbraw/zinc/97/04/00/441970400.db2.gz IVIZQCPKGAPDSZ-UHFFFAOYSA-N 1 0 332.429 1.634 50 0 EDAARO CC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 ZINC000069538429 441971256 /nfs/dbraw/zinc/97/12/56/441971256.db2.gz 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ZINC000069459835 441942125 /nfs/dbraw/zinc/94/21/25/441942125.db2.gz BMYJKVPIASCQFV-ZDUSSCGKSA-N 1 0 338.371 1.502 50 0 EDAARO CNC(=O)c1noc(CNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000095511825 441944277 /nfs/dbraw/zinc/94/42/77/441944277.db2.gz FGMDDUKKQRBEAI-QWHCGFSZSA-N 1 0 349.435 1.090 50 0 EDAARO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)cn1 ZINC000095961849 441961912 /nfs/dbraw/zinc/96/19/12/441961912.db2.gz GWXJEARWSCORQC-JTQLQIEISA-N 1 0 348.266 1.416 50 0 EDAARO Cn1cc(CCC[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)cn1 ZINC000078899307 441991013 /nfs/dbraw/zinc/99/10/13/441991013.db2.gz XVDHFCRMHXOQPP-WMLDXEAASA-N 1 0 333.436 1.005 50 0 EDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000069621842 441993191 /nfs/dbraw/zinc/99/31/91/441993191.db2.gz NSANFWLCKCBQTP-INIZCTEOSA-N 1 0 343.475 1.737 50 0 EDAARO CN1CCC(CNC(=O)NC[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000078933063 441994894 /nfs/dbraw/zinc/99/48/94/441994894.db2.gz UUGGNQHONDGVDM-INIZCTEOSA-N 1 0 338.496 1.415 50 0 EDAARO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)C[C@@H](C)O1 ZINC000069632164 441997450 /nfs/dbraw/zinc/99/74/50/441997450.db2.gz GLAIMEACWDZGDN-TVFCKZIOSA-N 1 0 336.480 1.208 50 0 EDAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)CC2 ZINC000069652196 442000114 /nfs/dbraw/zinc/00/01/14/442000114.db2.gz ZIJBDDCERFZNHM-NSHDSACASA-N 1 0 346.435 1.669 50 0 EDAARO CCOc1ccc(CCC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000069665826 442007718 /nfs/dbraw/zinc/00/77/18/442007718.db2.gz PXIAUBBSBHXIHT-INIZCTEOSA-N 1 0 333.476 1.770 50 0 EDAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000069738759 442025590 /nfs/dbraw/zinc/02/55/90/442025590.db2.gz FAEWUXIIZMLUJG-ROUUACIJSA-N 1 0 329.444 1.778 50 0 EDAARO C[C@@H](NC(=O)C[NH2+][C@H]1CCc2ncnn2C1)c1cc2ccccc2o1 ZINC000069740480 442027492 /nfs/dbraw/zinc/02/74/92/442027492.db2.gz NLCNNRBDCHIWKL-OCCSQVGLSA-N 1 0 339.399 1.806 50 0 EDAARO Cc1ccc([C@H](NC(=O)C[NH2+][C@H]2CCc3ncnn3C2)C2CC2)cc1 ZINC000069743514 442029794 /nfs/dbraw/zinc/02/97/94/442029794.db2.gz NSGOEQZURRABOV-LPHOPBHVSA-N 1 0 339.443 1.758 50 0 EDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000069770053 442033490 /nfs/dbraw/zinc/03/34/90/442033490.db2.gz CHOYOCWNXITEEP-SJORKVTESA-N 1 0 340.427 1.482 50 0 EDAARO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000069807888 442045098 /nfs/dbraw/zinc/04/50/98/442045098.db2.gz ITOLNZMLSSIULV-RHSMWYFYSA-N 1 0 337.439 1.135 50 0 EDAARO CN(Cc1ccsc1)C(=O)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000069810602 442045498 /nfs/dbraw/zinc/04/54/98/442045498.db2.gz KYHHGSKUEILXGX-HNNXBMFYSA-N 1 0 345.472 1.755 50 0 EDAARO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@@H+](CCCn1ccnc1)C2 ZINC000096151102 442046719 /nfs/dbraw/zinc/04/67/19/442046719.db2.gz DHUGMTPWVBJHDE-LPHOPBHVSA-N 1 0 346.475 1.924 50 0 EDAARO O=C([C@@H]1CCC[NH2+]C1)N1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000096152241 442046962 /nfs/dbraw/zinc/04/69/62/442046962.db2.gz LBPRHWNEIGMFMN-MRXNPFEDSA-N 1 0 349.450 1.738 50 0 EDAARO COc1ccc(NC(=O)CC[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000069814448 442047766 /nfs/dbraw/zinc/04/77/66/442047766.db2.gz AMNZOJBRZGEUKV-UHFFFAOYSA-N 1 0 329.404 1.952 50 0 EDAARO C[C@H](COc1cccc(F)c1)[NH2+]C[C@H]1CNc2c(C(N)=O)cnn2C1 ZINC000069849015 442055913 /nfs/dbraw/zinc/05/59/13/442055913.db2.gz WNHYAVLDSZMNBA-NEPJUHHUSA-N 1 0 347.394 1.220 50 0 EDAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3)C2)n1 ZINC000069847229 442056183 /nfs/dbraw/zinc/05/61/83/442056183.db2.gz KBMBSYHGACPMFT-MRXNPFEDSA-N 1 0 327.432 1.906 50 0 EDAARO C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069895812 442069464 /nfs/dbraw/zinc/06/94/64/442069464.db2.gz FCTATEAVUZAKIS-NWDGAFQWSA-N 1 0 331.869 1.906 50 0 EDAARO Fc1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)ccc1-n1cncn1 ZINC000069897573 442070925 /nfs/dbraw/zinc/07/09/25/442070925.db2.gz FHNSKNAUMLEZCK-OAHLLOKOSA-N 1 0 331.395 1.359 50 0 EDAARO COCc1ccccc1C(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000069920155 442074658 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CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=S)NCCC[NH+](C)C ZINC000007327346 441046294 /nfs/dbraw/zinc/04/62/94/441046294.db2.gz VZSSKGCVXWGUSJ-UHFFFAOYSA-N 1 0 347.488 1.571 50 0 EDAARO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000007709723 441065113 /nfs/dbraw/zinc/06/51/13/441065113.db2.gz VHYGURHWYOHDMO-UHFFFAOYSA-N 1 0 339.461 1.799 50 0 EDAARO FC(F)(F)c1nnc2ccc(N3CC[N@@H+]4CCCC[C@@H]4C3)nn21 ZINC000046406884 441106379 /nfs/dbraw/zinc/10/63/79/441106379.db2.gz FPRKRONHPFDENK-SNVBAGLBSA-N 1 0 326.326 1.818 50 0 EDAARO Cc1ccc(O)c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000070040107 441107799 /nfs/dbraw/zinc/10/77/99/441107799.db2.gz FIYPMZJDDLBWKC-MRXNPFEDSA-N 1 0 331.460 1.943 50 0 EDAARO Cc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CC[NH+]2CCCC2)C3)cc1 ZINC000057531457 441121538 /nfs/dbraw/zinc/12/15/38/441121538.db2.gz IYWIDFXEYSPBRC-KRWDZBQOSA-N 1 0 340.427 1.541 50 0 EDAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000069929212 441091661 /nfs/dbraw/zinc/09/16/61/441091661.db2.gz BKQZUJOGUJPGIW-HNNXBMFYSA-N 1 0 349.479 1.220 50 0 EDAARO CCCC(=O)N1CCC[C@H]1C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000069948705 441095084 /nfs/dbraw/zinc/09/50/84/441095084.db2.gz OIXRNQCPZGDUIB-CVEARBPZSA-N 1 0 340.464 1.678 50 0 EDAARO Cc1nc(C)n(C[C@H]2CCCN(c3nc(N(C)C)cc(C)[nH+]3)C2)n1 ZINC000069952142 441096772 /nfs/dbraw/zinc/09/67/72/441096772.db2.gz RVQMPJSMOJOEQO-HNNXBMFYSA-N 1 0 329.452 1.976 50 0 EDAARO COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCCCC3)CC2=O)cc1 ZINC000046853874 441130926 /nfs/dbraw/zinc/13/09/26/441130926.db2.gz LXDXNECXBAHACS-HNNXBMFYSA-N 1 0 345.443 1.650 50 0 EDAARO OC1CC[NH+]([C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC000012576906 441136219 /nfs/dbraw/zinc/13/62/19/441136219.db2.gz QIHBKPVCFRRSDG-IAGOWNOFSA-N 1 0 326.387 1.357 50 0 EDAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCc1cnn(C)c1 ZINC000097378835 441139038 /nfs/dbraw/zinc/13/90/38/441139038.db2.gz QTZXZZULMVKTEG-QAPCUYQASA-N 1 0 341.459 1.782 50 0 EDAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)C1 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COc1cccc(C(=O)NCCC[NH+]2CCC(C(N)=O)CC2)c1F ZINC000534587373 448456493 /nfs/dbraw/zinc/45/64/93/448456493.db2.gz WERURLMIVBXFHA-UHFFFAOYSA-N 1 0 337.395 1.152 50 0 EDAARO COC(=O)[C@@H]1CC12CCN(S(=O)(=O)CCC[NH+]1CCCC1)CC2 ZINC000583650954 448457014 /nfs/dbraw/zinc/45/70/14/448457014.db2.gz CCSRDUVNTINTES-AWEZNQCLSA-N 1 0 344.477 1.077 50 0 EDAARO CCn1cc(CNC(=O)C[C@H]([NH3+])c2ccc(OC)c(OC)c2)c(C)n1 ZINC000534650106 448460436 /nfs/dbraw/zinc/46/04/36/448460436.db2.gz DXMIHKYAIWZQGR-HNNXBMFYSA-N 1 0 346.431 1.935 50 0 EDAARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)c2cccc3c2CCC3=O)C1 ZINC000584889411 448665249 /nfs/dbraw/zinc/66/52/49/448665249.db2.gz FGJHLIYRKXODKN-CQSZACIVSA-N 1 0 330.428 1.856 50 0 EDAARO C[C@@H]1C[C@H](O)CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000585131689 448703577 /nfs/dbraw/zinc/70/35/77/448703577.db2.gz DACKUXALJLBLSQ-OCCSQVGLSA-N 1 0 346.431 1.146 50 0 EDAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2cccnc2N2CCCC2)C1 ZINC000585137360 448708025 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EDAARO Cn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(OCC(N)=O)cc2)cn1 ZINC000084317491 486257963 /nfs/dbraw/zinc/25/79/63/486257963.db2.gz VBWHEWIMKDVSIV-KSSFIOAISA-N 1 0 344.415 1.152 50 0 EDAARO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1cnn(C)c1)C(=O)N1CCC(C)CC1 ZINC000084697921 486278387 /nfs/dbraw/zinc/27/83/87/486278387.db2.gz QMYARIMBXRUSCJ-UXLLHSPISA-N 1 0 334.464 1.734 50 0 EDAARO CC[C@H]1CN(C(=O)CCNC(=O)c2ccccc2)CC[N@@H+]1CCOC ZINC000084736489 486283094 /nfs/dbraw/zinc/28/30/94/486283094.db2.gz LVOLGAPVLFUEFQ-KRWDZBQOSA-N 1 0 347.459 1.376 50 0 EDAARO C[N@H+](Cc1ccccc1)C1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000670437796 486513583 /nfs/dbraw/zinc/51/35/83/486513583.db2.gz IUNLVUBXMJFDOI-UHFFFAOYSA-N 1 0 337.489 1.923 50 0 EDAARO C[C@@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H](C)[NH2+]1 ZINC000154137817 534399260 /nfs/dbraw/zinc/39/92/60/534399260.db2.gz KQDYMQBMLWQMQD-NXEZZACHSA-N 1 0 341.253 1.733 50 0 EDAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000158596736 528251268 /nfs/dbraw/zinc/25/12/68/528251268.db2.gz MUARJWYPJPPJOC-INIZCTEOSA-N 1 0 346.479 1.430 50 0 EDAARO CC(C)(CN1CCOCC1)C[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000215872015 535076278 /nfs/dbraw/zinc/07/62/78/535076278.db2.gz UEOIYYUPQQOXIX-UHFFFAOYSA-N 1 0 346.519 1.948 50 0 EDAARO C[NH+](C)C[C@H](NC(=O)[C@H]1CSC(=O)N1)c1ccc(Cl)cc1 ZINC000242106260 535952910 /nfs/dbraw/zinc/95/29/10/535952910.db2.gz WIGIVUSNKBTGHJ-NWDGAFQWSA-N 1 0 327.837 1.884 50 0 EDAARO Cc1ccc(-c2nnn(CC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)n2)cc1 ZINC000101684972 593057376 /nfs/dbraw/zinc/05/73/76/593057376.db2.gz WHGPRNBGJGXCAB-AWEZNQCLSA-N 1 0 340.431 1.249 50 0 EDAARO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)NC[C@]1(C)CCOC1 ZINC000864096532 596754299 /nfs/dbraw/zinc/75/42/99/596754299.db2.gz CZDJLQMKLHNVPD-RDJZCZTQSA-N 1 0 339.480 1.698 50 0 EDAARO COCc1cn(CC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)nn1 ZINC000019220393 202000559 /nfs/dbraw/zinc/00/05/59/202000559.db2.gz HOEMRPYGNNXOHV-QGZVFWFLSA-N 1 0 335.452 1.053 50 0 EDAARO CN(Cc1ccnc2ccccc12)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000020779779 202054513 /nfs/dbraw/zinc/05/45/13/202054513.db2.gz BBZBDOWVRISMDV-OAHLLOKOSA-N 1 0 340.427 1.391 50 0 EDAARO Cc1ccccc1CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000020941786 202060133 /nfs/dbraw/zinc/06/01/33/202060133.db2.gz FAWQUNACTBKDTJ-GOSISDBHSA-N 1 0 331.460 1.096 50 0 EDAARO CN1N=C(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCC1=O ZINC000022463759 202085528 /nfs/dbraw/zinc/08/55/28/202085528.db2.gz KVCYRQXUPKJSLO-MRXNPFEDSA-N 1 0 328.416 1.548 50 0 EDAARO O=S(=O)(NC1CC[NH+](C[C@H]2CCCCO2)CC1)c1ccccc1 ZINC000025044486 202125960 /nfs/dbraw/zinc/12/59/60/202125960.db2.gz XUCLPZMAELOMMU-MRXNPFEDSA-N 1 0 338.473 1.998 50 0 EDAARO O=C([C@H]1CCC[NH2+]1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000081644896 138267478 /nfs/dbraw/zinc/26/74/78/138267478.db2.gz WURWLSAOCPMTDM-GDBMZVCRSA-N 1 0 327.428 1.881 50 0 EDAARO CCCn1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1=O ZINC000027333406 202153791 /nfs/dbraw/zinc/15/37/91/202153791.db2.gz WZJNQXXIESVKNE-OAHLLOKOSA-N 1 0 344.415 1.813 50 0 EDAARO CN1CC[NH+](C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000028297167 202169261 /nfs/dbraw/zinc/16/92/61/202169261.db2.gz REDAMELUFFOXMZ-LBPRGKRZSA-N 1 0 342.365 1.663 50 0 EDAARO CC[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc21)[NH+]1CCCC1 ZINC000031229444 202203946 /nfs/dbraw/zinc/20/39/46/202203946.db2.gz JQORXKPEUVBXIS-ZDUSSCGKSA-N 1 0 328.416 1.538 50 0 EDAARO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(OC)c2)CCCC1 ZINC000069895544 283365651 /nfs/dbraw/zinc/36/56/51/283365651.db2.gz UJGNOIKIQKZBOB-ZDUSSCGKSA-N 1 0 333.432 1.941 50 0 EDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000069490843 202283975 /nfs/dbraw/zinc/28/39/75/202283975.db2.gz DEOPNTJKZHHEAI-MSOLQXFVSA-N 1 0 339.443 1.895 50 0 EDAARO Cc1nc(CN2CCC[C@@H]([NH2+]CC(=O)NCc3cccs3)C2)no1 ZINC000069653079 202289375 /nfs/dbraw/zinc/28/93/75/202289375.db2.gz LWJQUSZRRIOUKX-CYBMUJFWSA-N 1 0 349.460 1.310 50 0 EDAARO CCc1nc2n(n1)C[C@@H]([NH2+]CC(=O)NCCc1ccsc1)CC2 ZINC000069902357 202297057 /nfs/dbraw/zinc/29/70/57/202297057.db2.gz URISBNSVGWIOGG-ZDUSSCGKSA-N 1 0 333.461 1.165 50 0 EDAARO CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 ZINC000069717236 202291799 /nfs/dbraw/zinc/29/17/99/202291799.db2.gz GODCMNVEWRQBDE-UHFFFAOYSA-N 1 0 347.398 1.716 50 0 EDAARO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000069874084 202295750 /nfs/dbraw/zinc/29/57/50/202295750.db2.gz MESAJNFIMCKHRP-ZDUSSCGKSA-N 1 0 342.509 1.172 50 0 EDAARO CC(C)OC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1cccs1 ZINC000036103287 202315613 /nfs/dbraw/zinc/31/56/13/202315613.db2.gz SQSPXLMYJXOMEM-INIZCTEOSA-N 1 0 342.505 1.668 50 0 EDAARO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000072273520 216096724 /nfs/dbraw/zinc/09/67/24/216096724.db2.gz VMMFNTYBCWHZOW-UHFFFAOYSA-N 1 0 336.411 1.890 50 0 EDAARO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(N3CCN(C)C3=O)CC2)c1 ZINC000075132584 202374901 /nfs/dbraw/zinc/37/49/01/202374901.db2.gz ZKWTTYGWKLDOSQ-KRWDZBQOSA-N 1 0 347.459 1.567 50 0 EDAARO Cc1nccn1CCCC(=O)N1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000072478487 216256742 /nfs/dbraw/zinc/25/67/42/216256742.db2.gz ITMVTCUBOPRTSA-MRXNPFEDSA-N 1 0 348.491 1.931 50 0 EDAARO O=S(=O)(CCC[NH2+]C[C@H]1CNc2ccnn2C1)c1ccccc1 ZINC000058308327 201141507 /nfs/dbraw/zinc/14/15/07/201141507.db2.gz MBCIJCHDHDIZQS-AWEZNQCLSA-N 1 0 334.445 1.378 50 0 EDAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000058421502 201143160 /nfs/dbraw/zinc/14/31/60/201143160.db2.gz IAOKLKKCTXZCHT-UHFFFAOYSA-N 1 0 344.415 1.584 50 0 EDAARO O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000278005227 201309451 /nfs/dbraw/zinc/30/94/51/201309451.db2.gz VLICNZFAEJPNID-WMLDXEAASA-N 1 0 330.359 1.957 50 0 EDAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(OCC(N)=O)cc1 ZINC000096258954 201375625 /nfs/dbraw/zinc/37/56/25/201375625.db2.gz HNFSDVPYGIHUSU-CLOOOTJHSA-N 1 0 345.443 1.507 50 0 EDAARO Cc1nn(CCO)c(C)c1C[NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000097159771 201379537 /nfs/dbraw/zinc/37/95/37/201379537.db2.gz SRWKOFUGPOLERA-KBPBESRZSA-N 1 0 338.496 1.470 50 0 EDAARO Cc1cnn(-c2ccc(S(=O)(=O)N[C@H]3CCC[NH2+]C3)cc2F)c1 ZINC000193352714 240128432 /nfs/dbraw/zinc/12/84/32/240128432.db2.gz XHBQJBYFANRLOT-LBPRGKRZSA-N 1 0 338.408 1.350 50 0 EDAARO Cc1cc(CN2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)no1 ZINC000229193169 242150142 /nfs/dbraw/zinc/15/01/42/242150142.db2.gz OFDCQKQFNVLBBF-IRXDYDNUSA-N 1 0 347.463 1.437 50 0 EDAARO COc1ccccc1-n1cc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000020866721 212178828 /nfs/dbraw/zinc/17/88/28/212178828.db2.gz XUSCCNCISXKELT-OAHLLOKOSA-N 1 0 328.416 1.839 50 0 EDAARO CC(C)c1nc(CCN(C)c2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)no1 ZINC000244601967 243044190 /nfs/dbraw/zinc/04/41/90/243044190.db2.gz DVEZCJLXUXJXRG-PHIMTYICSA-N 1 0 332.408 1.482 50 0 EDAARO O=C(CCCn1cnc2ccccc2c1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000244678996 243056122 /nfs/dbraw/zinc/05/61/22/243056122.db2.gz INOMSEKQAAGFOH-CABCVRRESA-N 1 0 340.427 1.530 50 0 EDAARO CN(CC(=O)N1CCC([NH+]2CCSCC2)CC1)Cc1ccncc1 ZINC000244701211 243059603 /nfs/dbraw/zinc/05/96/03/243059603.db2.gz KCEQPIPNMYNCPC-UHFFFAOYSA-N 1 0 348.516 1.553 50 0 EDAARO COc1ccc2c(c1)CCN(C(=O)CC[N@H+](C)[C@@H]1CCN(C)C1)C2 ZINC000244794647 243081017 /nfs/dbraw/zinc/08/10/17/243081017.db2.gz QQXPKOHVVJXQCD-QGZVFWFLSA-N 1 0 331.460 1.606 50 0 EDAARO FC(F)(F)c1cccc(N2CC[NH+](CCCn3cnnn3)CC2)c1 ZINC000244794607 243081369 /nfs/dbraw/zinc/08/13/69/243081369.db2.gz QQBBARZUBAETCC-UHFFFAOYSA-N 1 0 340.353 1.904 50 0 EDAARO Cc1cccnc1N1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244875119 243095107 /nfs/dbraw/zinc/09/51/07/243095107.db2.gz XMZHTPPXKNXJQB-OKILXGFUSA-N 1 0 339.447 1.294 50 0 EDAARO C[C@H](NC(=O)NCC(C)(C)[NH+](C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000065449611 202850040 /nfs/dbraw/zinc/85/00/40/202850040.db2.gz VGCYZMMQDABOON-NSHDSACASA-N 1 0 342.465 1.034 50 0 EDAARO Cc1ccc(/C=C/C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)o1 ZINC000069444357 203002377 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CC[C@@H]1CN(Cc2nccn2CC(F)(F)F)CC[N@@H+]1CCOC ZINC000069739249 203043272 /nfs/dbraw/zinc/04/32/72/203043272.db2.gz QWLVFTRPSGACLM-CYBMUJFWSA-N 1 0 334.386 1.988 50 0 EDAARO O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249832511 284087270 /nfs/dbraw/zinc/08/72/70/284087270.db2.gz PHGWNLLYHKVYBF-XZDPQHSOSA-N 1 0 348.468 1.942 50 0 EDAARO COCC[NH+]1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000069968779 203066054 /nfs/dbraw/zinc/06/60/54/203066054.db2.gz RHPJVURSXRABFT-UHFFFAOYSA-N 1 0 336.823 1.753 50 0 EDAARO Cc1cc[nH+]c(NCCNC(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)c1 ZINC000253536500 244012156 /nfs/dbraw/zinc/01/21/56/244012156.db2.gz SWSHTEZRAUQTPA-GFCCVEGCSA-N 1 0 347.444 1.903 50 0 EDAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCCCn2ccnc2)[nH]1 ZINC000071405573 203094040 /nfs/dbraw/zinc/09/40/40/203094040.db2.gz IQJGWTYXGWCMFR-GJZGRUSLSA-N 1 0 344.463 1.329 50 0 EDAARO O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N1CCC2(CCCO2)CC1 ZINC000071551985 203100153 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C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)n1 ZINC000072072062 203160912 /nfs/dbraw/zinc/16/09/12/203160912.db2.gz UUDJPIOTBAMJFO-CQSZACIVSA-N 1 0 349.479 1.810 50 0 EDAARO CN(C)c1ccccc1C(=O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072156628 203175278 /nfs/dbraw/zinc/17/52/78/203175278.db2.gz RZNQJDBHQLEFQF-INIZCTEOSA-N 1 0 331.460 1.814 50 0 EDAARO CN(C)c1ccc(CC(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000072157859 203176440 /nfs/dbraw/zinc/17/64/40/203176440.db2.gz KEGBSMWTQFVKOZ-LJQANCHMSA-N 1 0 345.487 1.743 50 0 EDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)NCc3ccco3)CC[C@H]21 ZINC000072453694 203226839 /nfs/dbraw/zinc/22/68/39/203226839.db2.gz FZSPCACKCUWJJL-DZGCQCFKSA-N 1 0 334.420 1.022 50 0 EDAARO CN(CCc1cn[nH]c1)c1nc(-c2ccncc2)nc2c1CC[NH2+]CC2 ZINC000072477058 203231978 /nfs/dbraw/zinc/23/19/78/203231978.db2.gz GSQVTOUFVYZOPA-UHFFFAOYSA-N 1 0 349.442 1.629 50 0 EDAARO CNc1nc(N2CC[N@H+](CC=C(C)C)[C@@H](CCO)C2)nc2c1CCC2 ZINC000072419233 203218265 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C[C@H]1CCCN(C(=O)c2ccc(-c3ccncc3)[nH]c2=O)[C@H]1C[NH3+] ZINC000156712168 205116240 /nfs/dbraw/zinc/11/62/40/205116240.db2.gz CDMOVZPQBDSRKN-LRDDRELGSA-N 1 0 326.400 1.636 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C)CCOCC2)CC1=O ZINC000130139136 205225167 /nfs/dbraw/zinc/22/51/67/205225167.db2.gz LZOGGZQVCGGFID-HUUCEWRRSA-N 1 0 337.464 1.005 50 0 EDAARO C[C@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003444278 205662751 /nfs/dbraw/zinc/66/27/51/205662751.db2.gz GCRKSUASBKUWGK-LBPRGKRZSA-N 1 0 339.461 1.973 50 0 EDAARO Cc1cccc2cc(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCO)C3)oc21 ZINC000091460625 218009856 /nfs/dbraw/zinc/00/98/56/218009856.db2.gz UXDWXFFHWVHBQG-HZPDHXFCSA-N 1 0 346.427 1.346 50 0 EDAARO C[C@H]1NC(=O)N(CCN2CCc3[nH]c4ccc(F)cc4c3C2)C1=O ZINC000408520218 250301610 /nfs/dbraw/zinc/30/16/10/250301610.db2.gz CENPLPKKOHGFGT-SNVBAGLBSA-N 1 0 330.363 1.605 50 0 EDAARO COCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000095413171 218350990 /nfs/dbraw/zinc/35/09/90/218350990.db2.gz QHDTVDJFNRIEGL-HNNXBMFYSA-N 1 0 330.432 1.651 50 0 EDAARO C[S@@](=O)CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000096408803 218760519 /nfs/dbraw/zinc/76/05/19/218760519.db2.gz GJWDQZKYKRBKKR-QFIPXVFZSA-N 1 0 329.510 1.709 50 0 EDAARO OCC[C@@H]1CN(c2ncccn2)CC[N@@H+]1CCCc1ccccc1 ZINC000106953961 285264280 /nfs/dbraw/zinc/26/42/80/285264280.db2.gz PYIBGJAUHPMXSK-GOSISDBHSA-N 1 0 326.444 1.982 50 0 EDAARO COc1ccc(F)cc1C(=O)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000299772611 258084824 /nfs/dbraw/zinc/08/48/24/258084824.db2.gz ADFTZJHXJDZLBH-UHFFFAOYSA-N 1 0 335.423 1.734 50 0 EDAARO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1cccc(-c2nn[nH]n2)c1 ZINC000299791019 258096719 /nfs/dbraw/zinc/09/67/19/258096719.db2.gz DDMQODWKMMKKCH-HIFRSBDPSA-N 1 0 326.404 1.357 50 0 EDAARO CC(C)c1nccc(C(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000299797928 258101578 /nfs/dbraw/zinc/10/15/78/258101578.db2.gz RCMGHJRRDQBMGL-QGZVFWFLSA-N 1 0 343.475 1.452 50 0 EDAARO C[NH+](C)CCN(CCO)C(=O)c1nc2ccc(Cl)cn2c1F ZINC000215970401 258072401 /nfs/dbraw/zinc/07/24/01/258072401.db2.gz COTAKYPBAGXESH-UHFFFAOYSA-N 1 0 328.775 1.123 50 0 EDAARO C[C@H](CNC(=O)C1CCN(c2ncccn2)CC1)[NH+]1CCC(C)CC1 ZINC000058230017 132803807 /nfs/dbraw/zinc/80/38/07/132803807.db2.gz FSEYYNAMWNVGGU-MRXNPFEDSA-N 1 0 345.491 1.930 50 0 EDAARO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cnc(N(C)C)n3C)C2)n1 ZINC000331926011 141098967 /nfs/dbraw/zinc/09/89/67/141098967.db2.gz ZWELFISYIKFSAB-GFCCVEGCSA-N 1 0 333.440 1.315 50 0 EDAARO Cc1cc(F)ccc1-n1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)nn1 ZINC000333253866 141288140 /nfs/dbraw/zinc/28/81/40/141288140.db2.gz HKPDQEWWWRDVSY-BLLLJJGKSA-N 1 0 329.379 1.539 50 0 EDAARO CN(C)C(=O)c1cccc(C[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)c1 ZINC000408473835 158372082 /nfs/dbraw/zinc/37/20/82/158372082.db2.gz LRHJSCLEGQYRBT-SFHVURJKSA-N 1 0 343.431 1.007 50 0 EDAARO [NH3+][C@H]1CCN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000123577679 222299828 /nfs/dbraw/zinc/29/98/28/222299828.db2.gz XFABQSUFJAJQQM-PZBABLGHSA-N 1 0 331.235 1.783 50 0 EDAARO O=C(c1ccc2c(c1)OCO2)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077284696 275012982 /nfs/dbraw/zinc/01/29/82/275012982.db2.gz ZUPFVWVLNMHGSW-GOSISDBHSA-N 1 0 332.400 1.478 50 0 EDAARO O=C1N(CCCc2ccccc2)CCC[C@]12CC[N@@H+](C(CO)CO)C2 ZINC000072457976 275021385 /nfs/dbraw/zinc/02/13/85/275021385.db2.gz LVNRLXDCOIWHEK-HXUWFJFHSA-N 1 0 346.471 1.287 50 0 EDAARO O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@H]([NH2+]Cc3cccc(Cl)c3)CN12 ZINC000014537223 275030868 /nfs/dbraw/zinc/03/08/68/275030868.db2.gz FXSOZVIQRCHIPS-ZNMIVQPWSA-N 1 0 333.819 1.404 50 0 EDAARO CC[N@H+](CCNC(=O)c1nn(-c2ccccc2)c(C)cc1=O)C1CC1 ZINC000069615818 276130688 /nfs/dbraw/zinc/13/06/88/276130688.db2.gz NGCUAKHZUKCSMO-UHFFFAOYSA-N 1 0 340.427 1.755 50 0 EDAARO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]3[NH2+]1)CC2 ZINC000246535449 276355767 /nfs/dbraw/zinc/35/57/67/276355767.db2.gz GGBXJMGUGJPCMH-BQJWPVKWSA-N 1 0 336.476 1.686 50 0 EDAARO O=C(C[C@H]1COCC[NH2+]1)NCc1csc(CCc2ccccc2)n1 ZINC000286202444 287958645 /nfs/dbraw/zinc/95/86/45/287958645.db2.gz SFTHAGIWERLZST-HNNXBMFYSA-N 1 0 345.468 1.923 50 0 EDAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000408519109 278316264 /nfs/dbraw/zinc/31/62/64/278316264.db2.gz LWETTXCVTDSFKP-BXUZGUMPSA-N 1 0 344.864 1.842 50 0 EDAARO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000071872074 279033569 /nfs/dbraw/zinc/03/35/69/279033569.db2.gz SRVBDULSOKSMHV-ZDUSSCGKSA-N 1 0 330.388 1.215 50 0 EDAARO Cc1cc(S(C)(=O)=O)c(Br)cc1N1CCC[NH2+]CC1 ZINC000019735975 280643116 /nfs/dbraw/zinc/64/31/16/280643116.db2.gz IGYSNLMZXSZNPQ-UHFFFAOYSA-N 1 0 347.278 1.961 50 0 EDAARO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCCCNC1=O ZINC000058428898 280695425 /nfs/dbraw/zinc/69/54/25/280695425.db2.gz WBLOUMXDTOFBHN-OAHLLOKOSA-N 1 0 349.479 1.138 50 0 EDAARO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2nncn2C)[NH+](C)C)cc1 ZINC000065468884 280986359 /nfs/dbraw/zinc/98/63/59/280986359.db2.gz 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CCOC(=O)c1c(NC(=O)C[NH2+]CCO)sc2c1CCCC2 ZINC000075250981 441514501 /nfs/dbraw/zinc/51/45/01/441514501.db2.gz UKUYQRCMMJKLKJ-UHFFFAOYSA-N 1 0 326.418 1.324 50 0 EDAARO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H](C)N1CCOC[C@@H]1C ZINC000110687411 441522299 /nfs/dbraw/zinc/52/22/99/441522299.db2.gz AIYYZTWMEXNOQI-IKGGRYGDSA-N 1 0 325.497 1.866 50 0 EDAARO COc1ccc(C)cc1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000075606516 441540690 /nfs/dbraw/zinc/54/06/90/441540690.db2.gz YUKNHROLGMXYMC-DLBZAZTESA-N 1 0 332.444 1.604 50 0 EDAARO CN(CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)c1cccs1 ZINC000089375370 441543533 /nfs/dbraw/zinc/54/35/33/441543533.db2.gz MFVGPWFCKRXIBA-KGLIPLIRSA-N 1 0 335.473 1.763 50 0 EDAARO C[NH+]1CCN(CCCNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000053287773 441509741 /nfs/dbraw/zinc/50/97/41/441509741.db2.gz SELMBRKKWFCIBB-UHFFFAOYSA-N 1 0 328.416 1.709 50 0 EDAARO CN1CC[C@H](C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000053992824 441552708 /nfs/dbraw/zinc/55/27/08/441552708.db2.gz 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CC(C)C[NH+]1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000047045691 441152033 /nfs/dbraw/zinc/15/20/33/441152033.db2.gz IWBWXACKKOFIJO-UHFFFAOYSA-N 1 0 327.428 1.871 50 0 EDAARO O=c1c2ccsc2ncn1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000058137672 441153199 /nfs/dbraw/zinc/15/31/99/441153199.db2.gz UQLJSRCGOTZLLA-HNNXBMFYSA-N 1 0 341.436 1.877 50 0 EDAARO c1ncn(-c2ccc(C[NH2+]Cc3cnc(N4CCCC4)nc3)cn2)n1 ZINC000058191680 441157870 /nfs/dbraw/zinc/15/78/70/441157870.db2.gz WQAJZDYJUAMOFB-UHFFFAOYSA-N 1 0 336.403 1.342 50 0 EDAARO COCC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 ZINC000058432068 441194688 /nfs/dbraw/zinc/19/46/88/441194688.db2.gz MNCULEFYIOJQCG-CVEARBPZSA-N 1 0 347.459 1.280 50 0 EDAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccncc2)cc1)N1CCOCC1 ZINC000017317400 441241264 /nfs/dbraw/zinc/24/12/64/441241264.db2.gz HBOADTKKZYKPLW-UHFFFAOYSA-N 1 0 347.440 1.392 50 0 EDAARO c1nnc2n1C[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000072254137 441210632 /nfs/dbraw/zinc/21/06/32/441210632.db2.gz BVZIDKGDGPKPFE-OAHLLOKOSA-N 1 0 327.432 1.467 50 0 EDAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc2c(c1)OCO2 ZINC000072268574 441211503 /nfs/dbraw/zinc/21/15/03/441211503.db2.gz UQGTTXCERDQHPC-BBWFWOEESA-N 1 0 346.427 1.924 50 0 EDAARO C[C@H]1C(=O)NCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000072270202 441214532 /nfs/dbraw/zinc/21/45/32/441214532.db2.gz GZHFQFRREZUCDU-AWEZNQCLSA-N 1 0 336.480 1.561 50 0 EDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21c2cc(C)ccc2NC1=O ZINC000016021930 441214619 /nfs/dbraw/zinc/21/46/19/441214619.db2.gz SYGXLYNHYVYFFQ-AGRPXIAWSA-N 1 0 341.411 1.535 50 0 EDAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCCc2ccccc21 ZINC000072277850 441217893 /nfs/dbraw/zinc/21/78/93/441217893.db2.gz JKZNNWPZUVEWPZ-SJLPKXTDSA-N 1 0 330.476 1.999 50 0 EDAARO CC[C@@H]1CN(Cc2nccn2CC(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000072279813 441218398 /nfs/dbraw/zinc/21/83/98/441218398.db2.gz QINKEOVBLWPGSR-CHWSQXEVSA-N 1 0 334.386 1.722 50 0 EDAARO CC(=O)N1c2ccccc2[C@@]2(N=C(Nc3ccccc3)NC(=[NH2+])N2)C1=O ZINC000019327602 441255957 /nfs/dbraw/zinc/25/59/57/441255957.db2.gz RBCNWVZVIMUULL-GOSISDBHSA-N 1 0 348.366 1.119 50 0 EDAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2cccnc2N2CCOCC2)C1 ZINC000048221339 441272710 /nfs/dbraw/zinc/27/27/10/441272710.db2.gz PEGKRNBJBHAZGG-HZPDHXFCSA-N 1 0 346.475 1.626 50 0 EDAARO CCc1cc(N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)n2ncnc2n1 ZINC000022335369 441279867 /nfs/dbraw/zinc/27/98/67/441279867.db2.gz TTWQKNVZWROYST-OAHLLOKOSA-N 1 0 343.479 1.151 50 0 EDAARO O=C(NCCCn1cncn1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000048278409 441283731 /nfs/dbraw/zinc/28/37/31/441283731.db2.gz UIKFRVRGMKRPHW-AWEZNQCLSA-N 1 0 348.476 1.866 50 0 EDAARO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)CN3CCCC3=O)c2cc1C ZINC000048345990 441296169 /nfs/dbraw/zinc/29/61/69/441296169.db2.gz LKTLMRWYDCGHKR-JKSUJKDBSA-N 1 0 344.459 1.615 50 0 EDAARO CCCCS(=O)(=O)NCc1cc2n(n1)CCC[N@H+](CCC)C2 ZINC000082091723 441330545 /nfs/dbraw/zinc/33/05/45/441330545.db2.gz KOADMGMFJLESFH-UHFFFAOYSA-N 1 0 328.482 1.718 50 0 EDAARO Cc1cc(C(=O)NCc2cc3n(n2)CC[NH2+]C3)c2ccc(F)cc2n1 ZINC000082167103 441338996 /nfs/dbraw/zinc/33/89/96/441338996.db2.gz GSUOZHKLIFZNIR-UHFFFAOYSA-N 1 0 339.374 1.912 50 0 EDAARO COCC[N@@H+]1CCCN(C(=O)c2cnc3c(cnn3C(C)C)c2)CC1 ZINC000048427951 441305308 /nfs/dbraw/zinc/30/53/08/441305308.db2.gz IJXHYCFMSDGUAA-UHFFFAOYSA-N 1 0 345.447 1.807 50 0 EDAARO CC[C@@H]1CN(CC(=O)NCc2cccc(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000106906721 441387835 /nfs/dbraw/zinc/38/78/35/441387835.db2.gz CSKKFWWTFFXXGV-DOTOQJQBSA-N 1 0 349.475 1.088 50 0 EDAARO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cnc(C4CC4)nc3)C2)CC1 ZINC000106946143 441393246 /nfs/dbraw/zinc/39/32/46/441393246.db2.gz BOQXZLVZMBMGPU-INIZCTEOSA-N 1 0 344.463 1.598 50 0 EDAARO O=C(NCc1cccc2cccnc21)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000107496799 441417717 /nfs/dbraw/zinc/41/77/17/441417717.db2.gz CECAUGFBYKFJHC-DLBZAZTESA-N 1 0 340.427 1.897 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000084789164 441422622 /nfs/dbraw/zinc/42/26/22/441422622.db2.gz JVDOHKXQIBTCCD-DZGCQCFKSA-N 1 0 343.435 1.507 50 0 EDAARO Cc1ncc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000065403913 441426795 /nfs/dbraw/zinc/42/67/95/441426795.db2.gz YEYQVXPEUUSNID-UHFFFAOYSA-N 1 0 344.484 1.999 50 0 EDAARO Cn1ccnc1CN1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000065419092 441430169 /nfs/dbraw/zinc/43/01/69/441430169.db2.gz VNBHEAVNFPPQBD-UHFFFAOYSA-N 1 0 347.507 1.624 50 0 EDAARO COc1ccc(CCNC(=O)N2CC[NH+](C[C@H](O)C3CC3)CC2)cc1 ZINC000085466792 441442728 /nfs/dbraw/zinc/44/27/28/441442728.db2.gz IXTCVWYFHPNTEM-SFHVURJKSA-N 1 0 347.459 1.336 50 0 EDAARO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)cc1 ZINC000065605865 441468275 /nfs/dbraw/zinc/46/82/75/441468275.db2.gz FZIAGIYNSXPBBQ-KRWDZBQOSA-N 1 0 341.455 1.847 50 0 EDAARO CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000052922340 441487182 /nfs/dbraw/zinc/48/71/82/441487182.db2.gz SVXLVYNPAZQXPX-QZTJIDSGSA-N 1 0 329.444 1.636 50 0 EDAARO Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(=O)[nH]1 ZINC000075118537 441496121 /nfs/dbraw/zinc/49/61/21/441496121.db2.gz JBUMYJJTMDCCOX-UHFFFAOYSA-N 1 0 333.432 1.448 50 0 EDAARO Cc1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c(=O)[nH]1 ZINC000075121103 441497144 /nfs/dbraw/zinc/49/71/44/441497144.db2.gz GPOBXRITVCNCLL-UHFFFAOYSA-N 1 0 329.400 1.554 50 0 EDAARO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000065595861 441467395 /nfs/dbraw/zinc/46/73/95/441467395.db2.gz SPIZZUAUMRXKBP-OAHLLOKOSA-N 1 0 340.493 1.676 50 0 EDAARO CC(C)C[N@H+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C(C)C ZINC000031582347 441530479 /nfs/dbraw/zinc/53/04/79/441530479.db2.gz SBWUQHNNLNRZBN-UHFFFAOYSA-N 1 0 338.452 1.639 50 0 EDAARO COc1ccc(CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000075606256 441540335 /nfs/dbraw/zinc/54/03/35/441540335.db2.gz PHVQGGYFNRCAPA-ZWKOTPCHSA-N 1 0 332.444 1.685 50 0 EDAARO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc(Cl)c1OCC(N)=O ZINC000030908464 441507206 /nfs/dbraw/zinc/50/72/06/441507206.db2.gz HSGMVLUDZOHUHK-GWCFXTLKSA-N 1 0 342.823 1.870 50 0 EDAARO COc1ccc(OCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000066175947 441508793 /nfs/dbraw/zinc/50/87/93/441508793.db2.gz GLXQIOMZNBRNLF-OAHLLOKOSA-N 1 0 333.432 1.954 50 0 EDAARO C[C@@H]([NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cnccn1 ZINC000089550544 441559403 /nfs/dbraw/zinc/55/94/03/441559403.db2.gz LJCHATZFGKSYDB-WBVHZDCISA-N 1 0 340.427 1.770 50 0 EDAARO COc1ccc(C(N)=O)cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000089459669 441553189 /nfs/dbraw/zinc/55/31/89/441553189.db2.gz UDLHSRPJGLWYFL-CYBMUJFWSA-N 1 0 332.404 1.496 50 0 EDAARO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c(C)c1 ZINC000089612101 441565207 /nfs/dbraw/zinc/56/52/07/441565207.db2.gz RXANKZIFLXLROZ-ZSZQSSIHSA-N 1 0 345.443 1.647 50 0 EDAARO c1nn(-c2ccccc2)nc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000089857646 441586663 /nfs/dbraw/zinc/58/66/63/441586663.db2.gz LALOMILZDBTAPA-IBGZPJMESA-N 1 0 341.459 1.954 50 0 EDAARO C[C@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@H]1[NH+](C)C ZINC000076050468 441586923 /nfs/dbraw/zinc/58/69/23/441586923.db2.gz XHQVXYCJSUAABR-CMPLNLGQSA-N 1 0 331.338 1.276 50 0 EDAARO O=C(Cc1cccs1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000089861143 441587964 /nfs/dbraw/zinc/58/79/64/441587964.db2.gz KGUVVBOBTCWIIK-MRXNPFEDSA-N 1 0 330.453 1.826 50 0 EDAARO CC[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000076058548 441589405 /nfs/dbraw/zinc/58/94/05/441589405.db2.gz NGHMZEGAPGGVIG-IAQYHMDHSA-N 1 0 337.445 1.190 50 0 EDAARO COc1cccc([C@@H](CNC(=O)N[C@@H](C)Cn2cccn2)[NH+](C)C)c1 ZINC000089904375 441592389 /nfs/dbraw/zinc/59/23/89/441592389.db2.gz GALLJPSDLPBHCK-WMLDXEAASA-N 1 0 345.447 1.882 50 0 EDAARO C[C@@H]1C[N@H+](C)CCN1CC(=O)NCc1cc(Br)cs1 ZINC000089939058 441600296 /nfs/dbraw/zinc/60/02/96/441600296.db2.gz ZNJJQCNNOQBBKT-SNVBAGLBSA-N 1 0 346.294 1.763 50 0 EDAARO C[C@H]1C[N@H+](C)CCN1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000089939016 441600339 /nfs/dbraw/zinc/60/03/39/441600339.db2.gz UMTPKVOHTLTMTN-ZDUSSCGKSA-N 1 0 325.840 1.471 50 0 EDAARO CC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@@H]1[NH+](C)C ZINC000089948365 441602467 /nfs/dbraw/zinc/60/24/67/441602467.db2.gz ZAAXFRTXMWAIEV-OAGGEKHMSA-N 1 0 331.464 1.492 50 0 EDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@]21c2ccccc2NC1=O ZINC000035375073 441604350 /nfs/dbraw/zinc/60/43/50/441604350.db2.gz OBEZRCYYBPFVDT-HLXGQMLPSA-N 1 0 327.384 1.225 50 0 EDAARO CCOc1ccc2[nH]c(=O)c(C[N@H+](C)[C@@H](C)CC(=O)NC)cc2c1 ZINC000067675570 441664963 /nfs/dbraw/zinc/66/49/63/441664963.db2.gz PMDQIVSYGWCRCA-LBPRGKRZSA-N 1 0 331.416 1.883 50 0 EDAARO Cc1nc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)cc(=O)[nH]1 ZINC000055120341 441620646 /nfs/dbraw/zinc/62/06/46/441620646.db2.gz FNUOFEFHWNXGAF-AWEZNQCLSA-N 1 0 344.415 1.242 50 0 EDAARO CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Cc1ccco1 ZINC000040465879 441622782 /nfs/dbraw/zinc/62/27/82/441622782.db2.gz KNUYDMIUGDUHKG-UHFFFAOYSA-N 1 0 349.475 1.863 50 0 EDAARO Cc1ccc2oc(=O)n(CC(=O)NCC[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC000067676020 441665223 /nfs/dbraw/zinc/66/52/23/441665223.db2.gz QMZDJUUKPXFKAI-CQSZACIVSA-N 1 0 331.416 1.751 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000040489004 441623924 /nfs/dbraw/zinc/62/39/24/441623924.db2.gz YWRVZBXSIKZXFT-CQSZACIVSA-N 1 0 329.400 1.704 50 0 EDAARO COCC[N@H+](C)CCNC(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000067421263 441639542 /nfs/dbraw/zinc/63/95/42/441639542.db2.gz SHCWBAFBCPOEPG-MRXNPFEDSA-N 1 0 339.411 1.487 50 0 EDAARO O=C(c1cc2n(n1)CCN(Cc1ccccc1)C2)N1CCC[NH2+]CC1 ZINC000067561572 441653166 /nfs/dbraw/zinc/65/31/66/441653166.db2.gz DZNDLEBEJYNJKF-UHFFFAOYSA-N 1 0 339.443 1.334 50 0 EDAARO COc1cc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)cc1C ZINC000067604388 441656741 /nfs/dbraw/zinc/65/67/41/441656741.db2.gz PKFJZBYIDWEVHB-CQSZACIVSA-N 1 0 333.432 1.126 50 0 EDAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc2ccc(C)cc2n1C ZINC000067772260 441678329 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CC[NH+](CC)Cc1cnc2c(C(=O)NCc3noc(C)n3)cnn2c1 ZINC000067880148 441692265 /nfs/dbraw/zinc/69/22/65/441692265.db2.gz NAJNAVHWCUBGLM-UHFFFAOYSA-N 1 0 343.391 1.193 50 0 EDAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C1CCN(c2ccccc2OC)CC1 ZINC000067895895 441693851 /nfs/dbraw/zinc/69/38/51/441693851.db2.gz MPYUQCZWEOAMGF-YOEHRIQHSA-N 1 0 346.475 1.202 50 0 EDAARO CSCC[C@@H](CO)Nc1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000067894740 441694464 /nfs/dbraw/zinc/69/44/64/441694464.db2.gz QLIIJZKUVSTOSR-ZDUSSCGKSA-N 1 0 345.472 1.710 50 0 EDAARO CCOc1ccc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)o1 ZINC000091351105 441696534 /nfs/dbraw/zinc/69/65/34/441696534.db2.gz PTWBEENJIBESSO-SFHVURJKSA-N 1 0 349.431 1.447 50 0 EDAARO Cc1ccc(-c2ncc(C(=O)N3CCCC[C@@H]3C[NH3+])c(=O)[nH]2)cc1 ZINC000091604083 441718308 /nfs/dbraw/zinc/71/83/08/441718308.db2.gz PTHLTSXXQNLVID-CQSZACIVSA-N 1 0 326.400 1.699 50 0 EDAARO Cc1c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cnn1-c1ccccn1 ZINC000067973912 441703172 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O=C(Cc1ccc(F)cc1)NCCNc1cc(N2CCCC2)cn[nH+]1 ZINC000096120938 442038951 /nfs/dbraw/zinc/03/89/51/442038951.db2.gz FATCMXBBHXFBNW-UHFFFAOYSA-N 1 0 343.406 1.987 50 0 EDAARO C[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000096406641 442116005 /nfs/dbraw/zinc/11/60/05/442116005.db2.gz YUWHDRPPDSYFGO-IAGOWNOFSA-N 1 0 328.416 1.371 50 0 EDAARO C[NH+](C)CCn1ccc2ccc(NC(=O)CCn3cncn3)cc21 ZINC000096418535 442120830 /nfs/dbraw/zinc/12/08/30/442120830.db2.gz DMJOALCLLIWBQJ-UHFFFAOYSA-N 1 0 326.404 1.823 50 0 EDAARO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCCC2)CC1)c1cnn(C)c1 ZINC000096477538 442139669 /nfs/dbraw/zinc/13/96/69/442139669.db2.gz NUVVOWRIANXQKI-HNNXBMFYSA-N 1 0 333.480 1.405 50 0 EDAARO Cc1cccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)[C@@H](C)C2)n1 ZINC000096486751 442141287 /nfs/dbraw/zinc/14/12/87/442141287.db2.gz MNNFYVCZKVCRCE-JKSUJKDBSA-N 1 0 348.516 1.864 50 0 EDAARO O=C(N[C@@H]1CCC[C@@H]1CO)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000096487142 442141704 /nfs/dbraw/zinc/14/17/04/442141704.db2.gz OHLBVYUJKNKJSN-RTBURBONSA-N 1 0 346.471 1.782 50 0 EDAARO CC(C)(C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)S(C)(=O)=O ZINC000096494358 442143338 /nfs/dbraw/zinc/14/33/38/442143338.db2.gz SLBRLLNJOGMGOT-GFCCVEGCSA-N 1 0 332.416 1.956 50 0 EDAARO CC(CO)(CO)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000096501162 442145004 /nfs/dbraw/zinc/14/50/04/442145004.db2.gz XFLZQJQLOHIVLT-UHFFFAOYSA-N 1 0 340.221 1.468 50 0 EDAARO Cc1nn(CCO)c(C)c1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000097159955 442177116 /nfs/dbraw/zinc/17/71/16/442177116.db2.gz NVBGNGZWXHCAKH-UHFFFAOYSA-N 1 0 345.447 1.014 50 0 EDAARO Cc1nn(CCO)c(C)c1C[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000097159967 442177208 /nfs/dbraw/zinc/17/72/08/442177208.db2.gz MKTWNSJZCJOGHQ-UHFFFAOYSA-N 1 0 342.443 1.909 50 0 EDAARO C[NH+](C)[C@H](CNc1ncnc2c1cnn2CCO)c1ccc(F)cc1 ZINC000097200285 442183286 /nfs/dbraw/zinc/18/32/86/442183286.db2.gz ZVIUHSFRNKAKQZ-OAHLLOKOSA-N 1 0 344.394 1.673 50 0 EDAARO COCCC[N@@H+]1CCN(C(=O)c2cccc3c2NCCC3)C[C@H](O)C1 ZINC000097217599 442187703 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LZXBCPLEAQPFGY-CYBMUJFWSA-N 1 0 334.445 1.748 50 0 EDAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC)o1)C(C)C ZINC000031387399 202205137 /nfs/dbraw/zinc/20/51/37/202205137.db2.gz HUVSDGZHTQEGJI-LBPRGKRZSA-N 1 0 345.465 1.284 50 0 EDAARO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069571483 299260070 /nfs/dbraw/zinc/26/00/70/299260070.db2.gz GDFOLCCVDMAUGO-XIRDDKMYSA-N 1 0 344.459 1.699 50 0 EDAARO CN(C(=O)C[NH2+][C@H]1CCc2ncnn2C1)[C@@H]1CCCc2ccccc21 ZINC000069740421 202291914 /nfs/dbraw/zinc/29/19/14/202291914.db2.gz PCIQUXZGHBXERC-DOTOQJQBSA-N 1 0 339.443 1.719 50 0 EDAARO COc1ccc2c(c1)OCC(C[NH2+][C@H]1CCc3nc(C)nn3C1)=C2 ZINC000069772765 202292885 /nfs/dbraw/zinc/29/28/85/202292885.db2.gz FFZRBEGGVBHDMI-HNNXBMFYSA-N 1 0 326.400 1.976 50 0 EDAARO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069842538 202293827 /nfs/dbraw/zinc/29/38/27/202293827.db2.gz IEJIQRJQONYNFE-GJZGRUSLSA-N 1 0 336.461 1.629 50 0 EDAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc2c(O)cccc12 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CC(C)C[C@H](C)OC(=O)NCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000583651635 448457797 /nfs/dbraw/zinc/45/77/97/448457797.db2.gz PTRADQPZJZNDPM-AWEZNQCLSA-N 1 0 327.469 1.947 50 0 EDAARO COc1cccc(CCC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c1 ZINC000534665463 448464299 /nfs/dbraw/zinc/46/42/99/448464299.db2.gz DNHOEMYFPLDDTI-ROUUACIJSA-N 1 0 332.444 1.997 50 0 EDAARO COCCC1CCN(C(=O)CC[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000584903009 448671981 /nfs/dbraw/zinc/67/19/81/448671981.db2.gz XJPIGBDVNKUGPM-INIZCTEOSA-N 1 0 325.497 1.678 50 0 EDAARO Cc1cc(N2CCc3[nH+]ccc(N)c3C2)n2nc(C(F)(F)F)nc2n1 ZINC000585092368 486036994 /nfs/dbraw/zinc/03/69/94/486036994.db2.gz SLCOJHQSNGRGKF-UHFFFAOYSA-N 1 0 349.320 1.991 50 0 EDAARO Cc1nnc2ccc(NCC3([NH+]4CCCCC4)CCOCC3)nn12 ZINC000081000987 486207896 /nfs/dbraw/zinc/20/78/96/486207896.db2.gz NFCVLEXROXWRMN-UHFFFAOYSA-N 1 0 330.436 1.880 50 0 EDAARO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083424257 486215990 /nfs/dbraw/zinc/21/59/90/486215990.db2.gz 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CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@H]([NH3+])CN1C ZINC000067852132 282184847 /nfs/dbraw/zinc/18/48/47/282184847.db2.gz BAYIKJWSDKTVFZ-HOCLYGCPSA-N 1 0 347.459 1.964 50 0 EDAARO CC[C@@]1(C)CN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000190235228 529530161 /nfs/dbraw/zinc/53/01/61/529530161.db2.gz QZKWIYIMYOTIMP-AEFFLSMTSA-N 1 0 340.512 1.469 50 0 EDAARO Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000685941357 539579483 /nfs/dbraw/zinc/57/94/83/539579483.db2.gz VXXVEXKONDTDHF-OPQQBVKSSA-N 1 0 341.337 1.617 50 0 EDAARO CCC[N@@H+]1CCC[C@@H](C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000685944960 539584291 /nfs/dbraw/zinc/58/42/91/539584291.db2.gz KXOBDCFGIBVIKW-MRXNPFEDSA-N 1 0 329.444 1.814 50 0 EDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016021890 282795912 /nfs/dbraw/zinc/79/59/12/282795912.db2.gz DNCWQCRISIYZFL-AVUWZVCYSA-N 1 0 327.384 1.227 50 0 EDAARO CC[C@@H](C)C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000585083498 539956416 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CO[C@H]1CN(Cc2cc(Cn3cncn3)c(C)cc2C)CC[C@H]1[NH3+] ZINC000071747250 203107267 /nfs/dbraw/zinc/10/72/67/203107267.db2.gz UKUFNSFBCDLSNQ-MSOLQXFVSA-N 1 0 329.448 1.491 50 0 EDAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071753804 203107515 /nfs/dbraw/zinc/10/75/15/203107515.db2.gz HKMCKRMSYMPBGU-KRWDZBQOSA-N 1 0 344.459 1.421 50 0 EDAARO CCO[C@@H](CC)C(=O)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC000071830047 203122501 /nfs/dbraw/zinc/12/25/01/203122501.db2.gz RJSPAEPNDDHGNH-SFHVURJKSA-N 1 0 333.476 1.865 50 0 EDAARO Cc1csc(NC(=O)NCCC[NH+]2CCC(C(N)=O)CC2)n1 ZINC000071831255 203123126 /nfs/dbraw/zinc/12/31/26/203123126.db2.gz FFFHXFXZCSUDRW-UHFFFAOYSA-N 1 0 325.438 1.160 50 0 EDAARO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000071909036 203146323 /nfs/dbraw/zinc/14/63/23/203146323.db2.gz LXNAVYMODIREOC-YJBOKZPZSA-N 1 0 348.466 1.865 50 0 EDAARO Cc1cnn(C[C@@H](C)[NH2+]CC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000071872159 203133669 /nfs/dbraw/zinc/13/36/69/203133669.db2.gz 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OC[C@]12CCC[NH2+][C@@H]1CCN(Cc1cccc3c1OC(F)(F)O3)C2 ZINC000072164866 203177523 /nfs/dbraw/zinc/17/75/23/203177523.db2.gz MHNSAJACSDHLGL-GDBMZVCRSA-N 1 0 340.370 1.945 50 0 EDAARO O=C(C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)N1CCNC1=O ZINC000072296419 203196690 /nfs/dbraw/zinc/19/66/90/203196690.db2.gz FTWYSQVOZWWWAI-UHFFFAOYSA-N 1 0 327.388 1.294 50 0 EDAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc(C)nc(SC)n3)CC[C@H]21 ZINC000072468160 203229180 /nfs/dbraw/zinc/22/91/80/203229180.db2.gz FUNDXOQUOKACFA-UONOGXRCSA-N 1 0 349.504 1.544 50 0 EDAARO Cc1cnn(CC2CCN(c3nc(C)nc4c3CC[NH2+]CC4)CC2)c1 ZINC000072477611 203231588 /nfs/dbraw/zinc/23/15/88/203231588.db2.gz MCFQCRQRWAMFTR-UHFFFAOYSA-N 1 0 340.475 1.895 50 0 EDAARO CCOCc1nc2c(c(N[C@@H](C)c3nnc(C)[nH]3)n1)CC[NH2+]CC2 ZINC000072427143 203221944 /nfs/dbraw/zinc/22/19/44/203221944.db2.gz YBPYBYBRFPTCGD-JTQLQIEISA-N 1 0 331.424 1.301 50 0 EDAARO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC(N)=O)C2)[NH+](C)C)cc1 ZINC000076093979 203337573 /nfs/dbraw/zinc/33/75/73/203337573.db2.gz PYUIJYOEYVCNEN-RDJZCZTQSA-N 1 0 346.475 1.895 50 0 EDAARO O=C(c1ccc2c(c1)OCO2)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077284693 203376458 /nfs/dbraw/zinc/37/64/58/203376458.db2.gz ZUPFVWVLNMHGSW-SFHVURJKSA-N 1 0 332.400 1.478 50 0 EDAARO Cc1cc(C2CCC2)nc(N2CCOC[C@](O)(C[NH+]3CCCC3)C2)n1 ZINC000077355752 203382688 /nfs/dbraw/zinc/38/26/88/203382688.db2.gz BKMAJARIUKJRBJ-IBGZPJMESA-N 1 0 346.475 1.716 50 0 EDAARO Cc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000077389546 203386488 /nfs/dbraw/zinc/38/64/88/203386488.db2.gz CYQQDGDWBATHAT-CHWSQXEVSA-N 1 0 334.807 1.491 50 0 EDAARO O=C(c1ccc(Cl)s1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077423862 203386994 /nfs/dbraw/zinc/38/69/94/203386994.db2.gz ZXEFAXKKYASJNA-OAHLLOKOSA-N 1 0 344.864 1.701 50 0 EDAARO Cc1ccccc1OC1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000077455242 203389481 /nfs/dbraw/zinc/38/94/81/203389481.db2.gz AWJPTZXKMSGTLI-MRXNPFEDSA-N 1 0 332.444 1.822 50 0 EDAARO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1cc(N2CCCCC2)ccc1Cl ZINC000077486769 203391491 /nfs/dbraw/zinc/39/14/91/203391491.db2.gz JDUJAVSFHYHNBB-HZPDHXFCSA-N 1 0 337.851 1.783 50 0 EDAARO CCOC(=O)N1CCC([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000089984728 203608425 /nfs/dbraw/zinc/60/84/25/203608425.db2.gz HQJFQEFFVPXSCY-HNNXBMFYSA-N 1 0 335.452 1.599 50 0 EDAARO O=C(COc1ccc(Cl)cc1Cl)NC[C@H]1C[NH2+]CCOC1 ZINC000091381216 203633308 /nfs/dbraw/zinc/63/33/08/203633308.db2.gz GGGFYOGFVRUPMA-SNVBAGLBSA-N 1 0 333.215 1.724 50 0 EDAARO O=C(NCCCNc1cccnc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095380845 203723768 /nfs/dbraw/zinc/72/37/68/203723768.db2.gz SDDYLBDVYOOSIP-MRXNPFEDSA-N 1 0 346.475 1.891 50 0 EDAARO COCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000237111585 204382873 /nfs/dbraw/zinc/38/28/73/204382873.db2.gz FIGSFGYEPXBDFZ-LLVKDONJSA-N 1 0 334.825 1.005 50 0 EDAARO Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)nnn1-c1ccc(F)c(Cl)c1 ZINC000237592207 204680310 /nfs/dbraw/zinc/68/03/10/204680310.db2.gz 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CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000002664058 440870708 /nfs/dbraw/zinc/87/07/08/440870708.db2.gz ZMPOAVFQSXUDDV-UHFFFAOYSA-N 1 0 349.416 1.738 50 0 EDAARO COc1ccccc1OC1CN(C(=O)NC[C@]2(C)CC[N@H+](C)C2)C1 ZINC000426399034 447434093 /nfs/dbraw/zinc/43/40/93/447434093.db2.gz MNXRRRVRCJRXCL-SFHVURJKSA-N 1 0 333.432 1.810 50 0 EDAARO CC(C)[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000044909406 440907725 /nfs/dbraw/zinc/90/77/25/440907725.db2.gz ZNWGXJFZUMJKQQ-UHFFFAOYSA-N 1 0 330.388 1.056 50 0 EDAARO COc1ccccc1[C@H](CNC(=O)[C@H](C)n1cncn1)[NH+]1CCCC1 ZINC000044910924 440909027 /nfs/dbraw/zinc/90/90/27/440909027.db2.gz UEJRWYARKPALDE-HOCLYGCPSA-N 1 0 343.431 1.801 50 0 EDAARO CC[NH+](CC)CCNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000004109135 440910931 /nfs/dbraw/zinc/91/09/31/440910931.db2.gz KZVCVLCENLSCHH-UHFFFAOYSA-N 1 0 344.459 1.978 50 0 EDAARO Cn1nc(C(=O)NCC2([NH+](C)C)CCCCC2)c2ccccc2c1=O ZINC000005457295 440955455 /nfs/dbraw/zinc/95/54/55/440955455.db2.gz UERFRZVVFQQRLW-UHFFFAOYSA-N 1 0 342.443 1.928 50 0 EDAARO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1nncn1C ZINC000045191241 440960738 /nfs/dbraw/zinc/96/07/38/440960738.db2.gz HTSRWERMWPPQIF-AWEZNQCLSA-N 1 0 342.447 1.971 50 0 EDAARO CC[NH+](CC)CCNC(=O)Cn1c2ccccc2n2nc(C)nc12 ZINC000005736143 440967195 /nfs/dbraw/zinc/96/71/95/440967195.db2.gz QRWVDACZGMQMEM-UHFFFAOYSA-N 1 0 328.420 1.450 50 0 EDAARO CC[NH+](CC)CCCNC(=O)COc1cc(=O)n(C)c2ccccc12 ZINC000004563986 440922566 /nfs/dbraw/zinc/92/25/66/440922566.db2.gz GPEGNPKVZNBAPQ-UHFFFAOYSA-N 1 0 345.443 1.765 50 0 EDAARO CC[NH+](CC)C[C@@H](C)CNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000004688336 440923831 /nfs/dbraw/zinc/92/38/31/440923831.db2.gz SUFMYAZZUXWAIS-AWEZNQCLSA-N 1 0 347.525 1.142 50 0 EDAARO O=C(NCCOc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044971874 440932496 /nfs/dbraw/zinc/93/24/96/440932496.db2.gz JRIIUIABUKIWDG-LSDHHAIUSA-N 1 0 347.415 1.720 50 0 EDAARO CC[NH+](CC)CCNC(=O)Cn1ncc2c1c1ccccc1oc2=O ZINC000005004009 440934144 /nfs/dbraw/zinc/93/41/44/440934144.db2.gz SKTKKEIZJDKMHG-UHFFFAOYSA-N 1 0 342.399 1.601 50 0 EDAARO Cc1cc(OC[C@H](O)C[NH+](CCO)CCO)c(C(C)C)cc1Cl ZINC000006790352 441015402 /nfs/dbraw/zinc/01/54/02/441015402.db2.gz WFCUXCNIJYDTEN-CQSZACIVSA-N 1 0 345.867 1.798 50 0 EDAARO C[C@H]([NH2+]Cc1c(C(=O)N2CCOCC2)nc2ccccn21)C1CC1 ZINC000012433850 441133333 /nfs/dbraw/zinc/13/33/33/441133333.db2.gz XVOLYESOYWLPIG-ZDUSSCGKSA-N 1 0 328.416 1.695 50 0 EDAARO C[NH+](C)[C@H]1CCN(C(=O)c2cn(CCCc3ccccc3)nn2)C1 ZINC000012584474 441136871 /nfs/dbraw/zinc/13/68/71/441136871.db2.gz YGQXAAAHYISVBF-INIZCTEOSA-N 1 0 327.432 1.687 50 0 EDAARO COc1ccc(OCC(=O)N2CCC3(CC[NH2+]C[C@@H]3CO)CC2)cc1 ZINC000097681703 441143711 /nfs/dbraw/zinc/14/37/11/441143711.db2.gz IFIIHDWNJIRHLV-OAHLLOKOSA-N 1 0 348.443 1.285 50 0 EDAARO O=C(c1nc2ccccn2c1F)N1CC[N@@H+](C2CCCC2)C[C@@H](O)C1 ZINC000097743631 441144228 /nfs/dbraw/zinc/14/42/28/441144228.db2.gz PFJHPKBFTROMNJ-CQSZACIVSA-N 1 0 346.406 1.535 50 0 EDAARO COc1ccccc1CC[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000013718726 441165165 /nfs/dbraw/zinc/16/51/65/441165165.db2.gz NDOTZLQLALJTDE-UHFFFAOYSA-N 1 0 344.411 1.900 50 0 EDAARO O=S(=O)(NCCC[NH+]1CC=CC1)c1ccc(C(F)(F)F)nc1 ZINC000102090214 441165887 /nfs/dbraw/zinc/16/58/87/441165887.db2.gz UVQJXIHZKQDQBL-UHFFFAOYSA-N 1 0 335.351 1.641 50 0 EDAARO CC(=O)N1CCC(C[N@@H+]2CCN(Cc3nccn3C)[C@H](C)C2)CC1 ZINC000071863866 441173218 /nfs/dbraw/zinc/17/32/18/441173218.db2.gz ATFCHWBKGDFUHD-OAHLLOKOSA-N 1 0 333.480 1.185 50 0 EDAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000058308969 441177129 /nfs/dbraw/zinc/17/71/29/441177129.db2.gz UOAOXRGLWDOSCZ-CQSZACIVSA-N 1 0 338.473 1.940 50 0 EDAARO CNC(=O)NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000058314222 441177733 /nfs/dbraw/zinc/17/77/33/441177733.db2.gz BKWZBARWSPLNNR-CYBMUJFWSA-N 1 0 335.404 1.143 50 0 EDAARO c1ccc2nc(NC[C@H]3CC[N@@H+](CCN4CCOCC4)C3)cnc2c1 ZINC000058370000 441186391 /nfs/dbraw/zinc/18/63/91/441186391.db2.gz IVKQTYXQXWXQLG-MRXNPFEDSA-N 1 0 341.459 1.696 50 0 EDAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCNC(=O)CC2)cc1 ZINC000105093628 441231914 /nfs/dbraw/zinc/23/19/14/441231914.db2.gz OHZDWZNIIBVMCG-UHFFFAOYSA-N 1 0 332.448 1.560 50 0 EDAARO CCCNC(=O)Cn1cc(OC)c(=O)cc1C[NH+]1CCC(C)CC1 ZINC000017286196 441240293 /nfs/dbraw/zinc/24/02/93/441240293.db2.gz XDCSJCHXWGXZSN-UHFFFAOYSA-N 1 0 335.448 1.615 50 0 EDAARO C[N@H+](CCCNS(C)(=O)=O)Cc1ccc(Br)s1 ZINC000058440597 441195744 /nfs/dbraw/zinc/19/57/44/441195744.db2.gz IWARNRGKMFLHHV-UHFFFAOYSA-N 1 0 341.296 1.882 50 0 EDAARO CC(C)N1C(=O)CN(CN2CC[NH+](CC3CCCCC3)CC2)C1=O ZINC000071924459 441199420 /nfs/dbraw/zinc/19/94/20/441199420.db2.gz RQEHAOADLHQQIN-UHFFFAOYSA-N 1 0 336.480 1.814 50 0 EDAARO O=C(NCC[NH+]1CCCCCC1)c1cc(CN2CCOCC2)on1 ZINC000015769494 441210078 /nfs/dbraw/zinc/21/00/78/441210078.db2.gz YTQXQXUOXGKUNG-UHFFFAOYSA-N 1 0 336.436 1.113 50 0 EDAARO Cn1ccc2c1cccc2C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269083 441212307 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CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccsc1C(=O)OC ZINC000013692986 441164321 /nfs/dbraw/zinc/16/43/21/441164321.db2.gz MFIJNXQSFZSDNA-JTQLQIEISA-N 1 0 339.417 1.074 50 0 EDAARO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H]1CCCN1c1cccnn1 ZINC000071860039 441171602 /nfs/dbraw/zinc/17/16/02/441171602.db2.gz YMIAVHRJSNOJME-MRXNPFEDSA-N 1 0 325.416 1.676 50 0 EDAARO C[C@@H]([NH2+]C[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cn1 ZINC000071871872 441178056 /nfs/dbraw/zinc/17/80/56/441178056.db2.gz HSDABZIDLYXBAN-MNOVXSKESA-N 1 0 334.811 1.506 50 0 EDAARO Cc1ccc2nc(C[N@@H+]3CCCC[C@@H]3Cn3cncn3)cc(=O)n2c1 ZINC000071876151 441178694 /nfs/dbraw/zinc/17/86/94/441178694.db2.gz JWMOSNVKEFGOAL-MRXNPFEDSA-N 1 0 338.415 1.649 50 0 EDAARO CCn1cc(NC(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)cn1 ZINC000058140870 441153236 /nfs/dbraw/zinc/15/32/36/441153236.db2.gz AFAFLSLFNBPOSP-UHFFFAOYSA-N 1 0 348.495 1.784 50 0 EDAARO C[NH+](C)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1 ZINC000058213521 441160213 /nfs/dbraw/zinc/16/02/13/441160213.db2.gz 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Cc1cccn2c(C[NH2+][C@H]3CCN(S(C)(=O)=O)C[C@H]3C)cnc12 ZINC000106918537 441390029 /nfs/dbraw/zinc/39/00/29/441390029.db2.gz CTUJAYZVKCJZBW-HIFRSBDPSA-N 1 0 336.461 1.402 50 0 EDAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(=O)[nH]c2ccccc21 ZINC000064334132 441373675 /nfs/dbraw/zinc/37/36/75/441373675.db2.gz VXDQTZUYRFRBKT-STQMWFEESA-N 1 0 327.384 1.121 50 0 EDAARO Cc1cn(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc12 ZINC000051470004 441412730 /nfs/dbraw/zinc/41/27/30/441412730.db2.gz KFWHAWBZIAINQJ-CVEARBPZSA-N 1 0 327.428 1.929 50 0 EDAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000065512127 441448697 /nfs/dbraw/zinc/44/86/97/441448697.db2.gz IYZGPBWIVDKLNM-OAHLLOKOSA-N 1 0 332.448 1.632 50 0 EDAARO C[N@@H+]1CCN(Cc2cccnc2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107408302 441415825 /nfs/dbraw/zinc/41/58/25/441415825.db2.gz PFEUNNBGHFKXPW-HXUWFJFHSA-N 1 0 342.487 1.990 50 0 EDAARO CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)[NH+]1CCCC1 ZINC000065412604 441429248 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C[N@@H+]1CCC2(C1)CCN(C(=O)CCN1Cc3ccccc3C1=O)CC2 ZINC000065506438 441447394 /nfs/dbraw/zinc/44/73/94/441447394.db2.gz ONWGPCFFLQKUCO-UHFFFAOYSA-N 1 0 341.455 1.977 50 0 EDAARO CC(C)OC[C@H](O)C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000107156766 441401924 /nfs/dbraw/zinc/40/19/24/441401924.db2.gz DYTGVPSWDBVCCW-TZMCWYRMSA-N 1 0 330.450 1.113 50 0 EDAARO C[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000075132641 441500948 /nfs/dbraw/zinc/50/09/48/441500948.db2.gz KYCHHXLIFFECSZ-DOMZBBRYSA-N 1 0 332.366 1.737 50 0 EDAARO CN(CC[NH+]1CCCC1)C(=O)CCc1nc(-c2cccnc2)no1 ZINC000065565897 441461269 /nfs/dbraw/zinc/46/12/69/441461269.db2.gz FFBKQCVEQMXMPP-UHFFFAOYSA-N 1 0 329.404 1.618 50 0 EDAARO CC[N@@H+]1CCC[C@H](NC(=O)CCn2ncc(=O)c3ccccc32)C1 ZINC000065591463 441465321 /nfs/dbraw/zinc/46/53/21/441465321.db2.gz SRMGTDUFNBMGBA-AWEZNQCLSA-N 1 0 328.416 1.387 50 0 EDAARO Cn1ccc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)cc1=O ZINC000075603814 441539129 /nfs/dbraw/zinc/53/91/29/441539129.db2.gz 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Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)nnn1-c1cccc2cccnc21 ZINC000179072896 442565837 /nfs/dbraw/zinc/56/58/37/442565837.db2.gz QFFLSBYRSUBYAQ-CQSZACIVSA-N 1 0 336.399 1.558 50 0 EDAARO CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000179084060 442568307 /nfs/dbraw/zinc/56/83/07/442568307.db2.gz AYTWEWNPVFIOGP-FMKPAKJESA-N 1 0 335.835 1.680 50 0 EDAARO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000136438489 442663727 /nfs/dbraw/zinc/66/37/27/442663727.db2.gz QXDJRCVIVSJOPW-GUYCJALGSA-N 1 0 328.416 1.842 50 0 EDAARO Cc1cc(=O)[nH]c([C@@H](C)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000192574895 442664621 /nfs/dbraw/zinc/66/46/21/442664621.db2.gz SIWLJRRVOOTPTE-WBVHZDCISA-N 1 0 342.443 1.903 50 0 EDAARO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000247967557 442875224 /nfs/dbraw/zinc/87/52/24/442875224.db2.gz XQWWYFSMNLMFFB-DLBZAZTESA-N 1 0 336.432 1.622 50 0 EDAARO O=S(=O)(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NCC1CCC1 ZINC000195550678 443031261 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CC[NH+](CC)CCCNS(=O)(=O)c1cccc2nsnc21 ZINC000002926020 440882556 /nfs/dbraw/zinc/88/25/56/440882556.db2.gz ARHVQRFUKJCEJO-UHFFFAOYSA-N 1 0 328.463 1.702 50 0 EDAARO Cc1cc(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000044889719 440898033 /nfs/dbraw/zinc/89/80/33/440898033.db2.gz CCXROTSDUCENJI-UHFFFAOYSA-N 1 0 343.431 1.922 50 0 EDAARO Cc1nnc(-c2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc2)o1 ZINC000044901702 440904405 /nfs/dbraw/zinc/90/44/05/440904405.db2.gz IXYBHSVKMCNSCM-UHFFFAOYSA-N 1 0 331.376 1.051 50 0 EDAARO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+](CC)CC)C1 ZINC000004712164 440923771 /nfs/dbraw/zinc/92/37/71/440923771.db2.gz KPXVMVHEPNMJOW-HNNXBMFYSA-N 1 0 347.525 1.286 50 0 EDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2nccs2)CC1 ZINC000044971877 440932767 /nfs/dbraw/zinc/93/27/67/440932767.db2.gz OOHHGQAVYLRMOV-ZIAGYGMSSA-N 1 0 335.477 1.602 50 0 EDAARO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000006206300 440983768 /nfs/dbraw/zinc/98/37/68/440983768.db2.gz 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CCOc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000058304735 441176261 /nfs/dbraw/zinc/17/62/61/441176261.db2.gz XELZWHRGONPAAL-CABCVRRESA-N 1 0 334.416 1.687 50 0 EDAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccccc2F)CC1 ZINC000058305524 441176294 /nfs/dbraw/zinc/17/62/94/441176294.db2.gz ZYLYCHJDMNHKDW-UHFFFAOYSA-N 1 0 328.391 1.903 50 0 EDAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1C ZINC000058344010 441183958 /nfs/dbraw/zinc/18/39/58/441183958.db2.gz FNHGJTQDQTZHQJ-KRWDZBQOSA-N 1 0 329.444 1.858 50 0 EDAARO C/C(=C\C(=O)N1CCCN(CC(N)=O)CC1)c1ccccc1Cl ZINC000103871925 441186390 /nfs/dbraw/zinc/18/63/90/441186390.db2.gz GBUWUZVIBRHJAQ-ACCUITESSA-N 1 0 335.835 1.763 50 0 EDAARO COCCOc1ncccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000071795645 441155584 /nfs/dbraw/zinc/15/55/84/441155584.db2.gz AJCNHNNZSUSQHI-AWEZNQCLSA-N 1 0 334.420 1.809 50 0 EDAARO Cn1c(=O)cc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)n(C)c1=O ZINC000071810992 441157520 /nfs/dbraw/zinc/15/75/20/441157520.db2.gz 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C[NH+](C)C1CCN(C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 ZINC000089314072 441537052 /nfs/dbraw/zinc/53/70/52/441537052.db2.gz TXTROYPZLWOZKB-UHFFFAOYSA-N 1 0 342.447 1.562 50 0 EDAARO O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)C2CCC2)cc1 ZINC000089787738 441578826 /nfs/dbraw/zinc/57/88/26/441578826.db2.gz PPWLASBQNZTISF-UHFFFAOYSA-N 1 0 329.444 1.929 50 0 EDAARO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@H]2C)CC1 ZINC000076055625 441588236 /nfs/dbraw/zinc/58/82/36/441588236.db2.gz WRTKMOZBDHFZEN-MLGOLLRUSA-N 1 0 336.505 1.744 50 0 EDAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cnc(N3CCCC3)nc2)N1 ZINC000054681288 441592039 /nfs/dbraw/zinc/59/20/39/441592039.db2.gz JNMTZEDTVDOCGQ-AWEZNQCLSA-N 1 0 334.387 1.523 50 0 EDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000040489005 441623701 /nfs/dbraw/zinc/62/37/01/441623701.db2.gz YWRVZBXSIKZXFT-AWEZNQCLSA-N 1 0 329.400 1.704 50 0 EDAARO C[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000040527731 441626764 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C[NH2+][C@@H]1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000097019468 203906425 /nfs/dbraw/zinc/90/64/25/203906425.db2.gz AFOIQWAVNAKXAN-CQSZACIVSA-N 1 0 328.416 1.865 50 0 EDAARO CC(C)N(C)C(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccn3-c3ncccn3)C[C@@H]21 ZINC000102752568 204048406 /nfs/dbraw/zinc/04/84/06/204048406.db2.gz XSZAFDQVUWZTTR-FVQHAEBGSA-N 1 0 339.443 1.812 50 0 EDAARO CCCc1nc(C(=O)N2CC[NH2+][C@@H](C)C2)nn1-c1ccccc1F ZINC000236926280 204124015 /nfs/dbraw/zinc/12/40/15/204124015.db2.gz RTGMSVWJWUGCJA-LBPRGKRZSA-N 1 0 331.395 1.793 50 0 EDAARO Cc1cc(C)n2nc(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)nc2n1 ZINC000106625639 204207481 /nfs/dbraw/zinc/20/74/81/204207481.db2.gz FTRXFNRAZZIGFM-BXUZGUMPSA-N 1 0 330.436 1.591 50 0 EDAARO C[C@H](NC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000106787782 204211274 /nfs/dbraw/zinc/21/12/74/204211274.db2.gz RAGOJZRZBLPWFR-XEZPLFJOSA-N 1 0 339.867 1.826 50 0 EDAARO C[C@@H](NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1Cl ZINC000106869426 204217435 /nfs/dbraw/zinc/21/74/35/204217435.db2.gz SFUWZRNFPSBEGL-KGLIPLIRSA-N 1 0 339.867 1.780 50 0 EDAARO Cc1cnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nc1C ZINC000133578375 205371878 /nfs/dbraw/zinc/37/18/78/205371878.db2.gz LQPSDVMKFCAPED-KRWDZBQOSA-N 1 0 333.480 1.325 50 0 EDAARO C[NH+](C)[C@H]1CN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)C[C@@H]1O ZINC000408519018 250299647 /nfs/dbraw/zinc/29/96/47/250299647.db2.gz SCVMJPAVQYNTAS-STQMWFEESA-N 1 0 348.472 1.784 50 0 EDAARO CC(C)Cn1nc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c2ccccc2c1=O ZINC000261691254 139218036 /nfs/dbraw/zinc/21/80/36/139218036.db2.gz IPYZITDVOICDLF-UONOGXRCSA-N 1 0 342.443 1.862 50 0 EDAARO O=S(=O)(c1cccs1)N1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC000096099739 218593277 /nfs/dbraw/zinc/59/32/77/218593277.db2.gz OCDNMKIRJKEEDU-ZDUSSCGKSA-N 1 0 330.475 1.358 50 0 EDAARO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]1C ZINC000262806344 139305042 /nfs/dbraw/zinc/30/50/42/139305042.db2.gz WWEJZYXPFQIDLL-NEPJUHHUSA-N 1 0 326.418 1.219 50 0 EDAARO Cc1nnc(CCNC(=O)C2CC[NH+](C3CCOCC3)CC2)s1 ZINC000426439061 254492064 /nfs/dbraw/zinc/49/20/64/254492064.db2.gz WEHOKLOKYZDCRF-UHFFFAOYSA-N 1 0 338.477 1.396 50 0 EDAARO [NH3+]CCc1nnc(SC[C@@H]2COCCO2)n1-c1ccccc1F ZINC000426443031 254492259 /nfs/dbraw/zinc/49/22/59/254492259.db2.gz QJYKMKNKNXOGRR-NSHDSACASA-N 1 0 338.408 1.415 50 0 EDAARO Cc1cccnc1C[C@@H](C)N(C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000426489716 254493194 /nfs/dbraw/zinc/49/31/94/254493194.db2.gz WBNOXRRPIBOCDL-MRXNPFEDSA-N 1 0 348.491 1.809 50 0 EDAARO [NH3+]CCCOc1ccc(C(=O)N2CCC(n3cnnc3)CC2)cc1 ZINC000426518930 254494911 /nfs/dbraw/zinc/49/49/11/254494911.db2.gz HXJKRWPLJJLNQK-UHFFFAOYSA-N 1 0 329.404 1.483 50 0 EDAARO CC(C)SCC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)CO ZINC000408523786 257978443 /nfs/dbraw/zinc/97/84/43/257978443.db2.gz NDCMIOGKPUUXMD-CYBMUJFWSA-N 1 0 336.498 1.308 50 0 EDAARO C[N@@H+](Cc1cc(=O)n2[nH]cnc2n1)C[C@H]1CCN(c2ccccc2)C1 ZINC000334159581 258004830 /nfs/dbraw/zinc/00/48/30/258004830.db2.gz CXHVZUFFKRECPO-CQSZACIVSA-N 1 0 338.415 1.376 50 0 EDAARO Cc1cc(=O)[nH]c(C)c1C(=O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000299782595 258090701 /nfs/dbraw/zinc/09/07/01/258090701.db2.gz VXIZZMIFJZOCQA-HNNXBMFYSA-N 1 0 333.432 1.465 50 0 EDAARO Nc1ncccc1CNC(=O)c1ccc(OCCC[NH3+])c(Cl)c1 ZINC000299791351 258096917 /nfs/dbraw/zinc/09/69/17/258096917.db2.gz CMQQHLZSEMORQZ-UHFFFAOYSA-N 1 0 334.807 1.975 50 0 EDAARO O=C(NCCn1ccnn1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299797157 258101264 /nfs/dbraw/zinc/10/12/64/258101264.db2.gz PBAKGSLNVZTXKX-BBWFWOEESA-N 1 0 325.416 1.620 50 0 EDAARO Cc1c(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)cnn1-c1ccccn1 ZINC000299800100 258103595 /nfs/dbraw/zinc/10/35/95/258103595.db2.gz VVPXKZYVNSSJBA-HOTGVXAUSA-N 1 0 341.415 1.169 50 0 EDAARO Cc1ccc2[nH]c(CNC(=O)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nc2c1 ZINC000299762480 258079615 /nfs/dbraw/zinc/07/96/15/258079615.db2.gz XOMNZGYGURVCIQ-OKILXGFUSA-N 1 0 330.432 1.987 50 0 EDAARO CC(=O)N1CCN(C(=O)C[NH+]2CCC(c3ccccc3C)CC2)CC1 ZINC000069591053 273489877 /nfs/dbraw/zinc/48/98/77/273489877.db2.gz JVVCOTRZJVXIRL-UHFFFAOYSA-N 1 0 343.471 1.865 50 0 EDAARO CC(=O)N1CCc2ccccc2[C@@H]1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000075530794 273491444 /nfs/dbraw/zinc/49/14/44/273491444.db2.gz XJHMYHFIJWWIIM-LJQANCHMSA-N 1 0 343.471 1.933 50 0 EDAARO CCNC(=O)C[C@@H]1CCCCN1Cc1nc2ccccc2c(=O)n1C ZINC000284337090 274165722 /nfs/dbraw/zinc/16/57/22/274165722.db2.gz BWZWNNFIKMUWDF-AWEZNQCLSA-N 1 0 342.443 1.814 50 0 EDAARO O=C1CCCN1CCC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000065476103 275016872 /nfs/dbraw/zinc/01/68/72/275016872.db2.gz UYSJDKJZFJXNSF-UHFFFAOYSA-N 1 0 342.443 1.979 50 0 EDAARO CC(C)c1ncc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)cn1 ZINC000091894336 275763265 /nfs/dbraw/zinc/76/32/65/275763265.db2.gz FEHUOVHCNKYBMJ-UHFFFAOYSA-N 1 0 346.475 1.797 50 0 EDAARO CNC(=O)c1ccc(/C=C\C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000229356498 277015743 /nfs/dbraw/zinc/01/57/43/277015743.db2.gz UVIPMCNBVVYJJB-XKJZPFPASA-N 1 0 327.428 1.802 50 0 EDAARO C[NH+]1CCC2(CC1)OCCN2C(=O)c1cc2ccccc2oc1=O ZINC000013726885 277036329 /nfs/dbraw/zinc/03/63/29/277036329.db2.gz BJWOZAHUIJPMQJ-UHFFFAOYSA-N 1 0 328.368 1.687 50 0 EDAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)[C@@H](C)C1 ZINC000229307815 277331880 /nfs/dbraw/zinc/33/18/80/277331880.db2.gz VSTWPNGWOFPSOP-AVGNSLFASA-N 1 0 349.397 1.632 50 0 EDAARO CC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000065494004 278074022 /nfs/dbraw/zinc/07/40/22/278074022.db2.gz QZCPOFXICJXLOF-OSAXDYGVSA-N 1 0 331.460 1.139 50 0 EDAARO CC(=O)Nc1ccc(/C=C\C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000096298358 278188906 /nfs/dbraw/zinc/18/89/06/278188906.db2.gz JIYLKJSCEGUKAR-AJHXJQRKSA-N 1 0 344.459 1.410 50 0 EDAARO C[C@@H](NC(=O)N1C[C@@H](O)C[C@H]1CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274849875 278324431 /nfs/dbraw/zinc/32/44/31/278324431.db2.gz ASROLAHQLGPXRT-BGTYHANMSA-N 1 0 347.459 1.034 50 0 EDAARO CCOC(=O)N1CCN(CC2(c3ccc(C)cn3)CC[NH2+]CC2)CC1 ZINC000065393797 279574429 /nfs/dbraw/zinc/57/44/29/279574429.db2.gz VNBNIOYCZAITFO-UHFFFAOYSA-N 1 0 346.475 1.785 50 0 EDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000242292521 293006044 /nfs/dbraw/zinc/00/60/44/293006044.db2.gz YMXFBRRWPSWUGT-HZMVEIRTSA-N 1 0 334.464 1.901 50 0 EDAARO Cc1cc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCC2)no1 ZINC000067804059 301345873 /nfs/dbraw/zinc/34/58/73/301345873.db2.gz MCOPWEKRGNFGFG-UHFFFAOYSA-N 1 0 334.420 1.836 50 0 EDAARO NC(=O)NC(=O)CN1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058390578 303270501 /nfs/dbraw/zinc/27/05/01/303270501.db2.gz SFYKBQBRMMBPBX-CVEARBPZSA-N 1 0 330.432 1.310 50 0 EDAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000000139299 440801714 /nfs/dbraw/zinc/80/17/14/440801714.db2.gz BNZHPFUXYCHQOY-TXEJJXNPSA-N 1 0 325.434 1.250 50 0 EDAARO Cn1nc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000044941908 440917128 /nfs/dbraw/zinc/91/71/28/440917128.db2.gz LSFKSHRNPVZLHK-LSDHHAIUSA-N 1 0 326.400 1.290 50 0 EDAARO COC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000002769991 440875992 /nfs/dbraw/zinc/87/59/92/440875992.db2.gz MAOXUGRAIRXBQM-UHFFFAOYSA-N 1 0 333.373 1.158 50 0 EDAARO Cc1cccc(OCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000044944729 440919233 /nfs/dbraw/zinc/91/92/33/440919233.db2.gz VHQGUWFCNAQKFQ-UHFFFAOYSA-N 1 0 332.444 1.945 50 0 EDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2N2CCCC2)C1 ZINC000044893840 440901498 /nfs/dbraw/zinc/90/14/98/440901498.db2.gz GQQUKPNZHVPTRN-MRXNPFEDSA-N 1 0 346.475 1.768 50 0 EDAARO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCC(O)CC1)c1ccccc1 ZINC000006809564 441016492 /nfs/dbraw/zinc/01/64/92/441016492.db2.gz CDZZNFASZUULLT-DLBZAZTESA-N 1 0 338.473 1.733 50 0 EDAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000045310888 440972966 /nfs/dbraw/zinc/97/29/66/440972966.db2.gz OOYGTTMXAXPWOO-RYUDHWBXSA-N 1 0 325.434 1.250 50 0 EDAARO Cc1c(NC(=S)NCC[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC000007556752 441057405 /nfs/dbraw/zinc/05/74/05/441057405.db2.gz PSSAYNIXAJUOBE-UHFFFAOYSA-N 1 0 333.461 1.332 50 0 EDAARO CN1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1=O ZINC000046375696 441104540 /nfs/dbraw/zinc/10/45/40/441104540.db2.gz WKKLZWKVYUEXPY-QGZVFWFLSA-N 1 0 329.444 1.767 50 0 EDAARO O=C1C2=C(CN1CC[NH+]1CCCCC1)NC(=O)N[C@@H]2c1cccs1 ZINC000057531462 441120965 /nfs/dbraw/zinc/12/09/65/441120965.db2.gz YAUCBNPWTQNBHD-OAHLLOKOSA-N 1 0 346.456 1.684 50 0 EDAARO CC(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC(=O)N(C3CC3)C2)CC1 ZINC000011708330 441123424 /nfs/dbraw/zinc/12/34/24/441123424.db2.gz KRUBSJCXEVYDSI-INIZCTEOSA-N 1 0 335.492 1.872 50 0 EDAARO C[C@@H]([NH2+]Cc1c(C(=O)N2CCOCC2)nc2ccccn21)C1CC1 ZINC000012433849 441133249 /nfs/dbraw/zinc/13/32/49/441133249.db2.gz XVOLYESOYWLPIG-CYBMUJFWSA-N 1 0 328.416 1.695 50 0 EDAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000071144417 441141842 /nfs/dbraw/zinc/14/18/42/441141842.db2.gz OQFKORALSJYSNR-JTQLQIEISA-N 1 0 333.251 1.679 50 0 EDAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(OCC(N)=O)c1 ZINC000046988572 441145215 /nfs/dbraw/zinc/14/52/15/441145215.db2.gz WQSJVRQEINGANO-OAHLLOKOSA-N 1 0 347.459 1.935 50 0 EDAARO CCOc1ccc(Br)cc1CNCCC[NH2+]CCO ZINC000013733007 441166217 /nfs/dbraw/zinc/16/62/17/441166217.db2.gz FOXIKQLJZGPASH-UHFFFAOYSA-N 1 0 331.254 1.909 50 0 EDAARO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000058283061 441171585 /nfs/dbraw/zinc/17/15/85/441171585.db2.gz WYLKIYOLUSALHU-CHWSQXEVSA-N 1 0 340.468 1.093 50 0 EDAARO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000058341782 441182524 /nfs/dbraw/zinc/18/25/24/441182524.db2.gz FOSPMTAUKYVUEF-NWDGAFQWSA-N 1 0 342.440 1.149 50 0 EDAARO CC[NH+](CC)CCC[C@H](C)NC(=O)COc1cccc(C(N)=O)c1 ZINC000058343947 441183688 /nfs/dbraw/zinc/18/36/88/441183688.db2.gz QIHURHGLFYOCGU-AWEZNQCLSA-N 1 0 335.448 1.791 50 0 EDAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH+]1CCCCC1)C2 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C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000003406345 440898696 /nfs/dbraw/zinc/89/86/96/440898696.db2.gz WYOXWQTZGXGNBU-RKDXNWHRSA-N 1 0 338.437 1.138 50 0 EDAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000045310892 440972970 /nfs/dbraw/zinc/97/29/70/440972970.db2.gz OOYGTTMXAXPWOO-VXGBXAGGSA-N 1 0 325.434 1.250 50 0 EDAARO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812390 441043372 /nfs/dbraw/zinc/04/33/72/441043372.db2.gz FIVNUWFUAJRZLF-KGLIPLIRSA-N 1 0 345.443 1.933 50 0 EDAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)NCCCOC1CCCCC1 ZINC000069976479 441100053 /nfs/dbraw/zinc/10/00/53/441100053.db2.gz JICBGPXXMAUNCM-CQSZACIVSA-N 1 0 335.452 1.038 50 0 EDAARO CN(C)C(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000070014681 441104337 /nfs/dbraw/zinc/10/43/37/441104337.db2.gz DZXBDNCLLDNDHW-UHFFFAOYSA-N 1 0 348.447 1.031 50 0 EDAARO NC(=O)NC(=O)CC[N@H+](Cc1ccc2c(c1)OCCO2)C1CCCC1 ZINC000057630871 441124771 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C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccsc2)CC1 ZINC000058282229 441170726 /nfs/dbraw/zinc/17/07/26/441170726.db2.gz IOBZMOHSQWYBKD-UHFFFAOYSA-N 1 0 345.472 1.894 50 0 EDAARO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nc(C)ccc2O)ncn1 ZINC000071877200 441180849 /nfs/dbraw/zinc/18/08/49/441180849.db2.gz XJYDSBDPXHEGFE-ZDUSSCGKSA-N 1 0 328.420 1.686 50 0 EDAARO COCC[N@H+](C)CCCNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000058342901 441182405 /nfs/dbraw/zinc/18/24/05/441182405.db2.gz CQABQVJGGYGYLS-UHFFFAOYSA-N 1 0 349.475 1.913 50 0 EDAARO Cc1ccccc1OCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000058357294 441185404 /nfs/dbraw/zinc/18/54/04/441185404.db2.gz ZMQBEYFNHXDJKJ-MRXNPFEDSA-N 1 0 345.443 1.315 50 0 EDAARO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)CC(N)=O)cc1 ZINC000012930766 441149122 /nfs/dbraw/zinc/14/91/22/441149122.db2.gz DCCSFUXFCISXFK-GFCCVEGCSA-N 1 0 327.450 1.071 50 0 EDAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)Nc2ccc(OC)nc2)[nH]1 ZINC000071751535 441150907 /nfs/dbraw/zinc/15/09/07/441150907.db2.gz IGRAIRIUNLXJBP-KBPBESRZSA-N 1 0 343.431 1.968 50 0 EDAARO COc1ccc([C@@H]2CN(C(=O)CCO)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071749498 441150965 /nfs/dbraw/zinc/15/09/65/441150965.db2.gz FRIQYQMHKDNJOG-QXAKKESOSA-N 1 0 330.428 1.466 50 0 EDAARO COCCN(C1CC[NH+](C)CC1)S(=O)(=O)NCc1ccccc1 ZINC000071775947 441154811 /nfs/dbraw/zinc/15/48/11/441154811.db2.gz GLZANPWRIJURJV-UHFFFAOYSA-N 1 0 341.477 1.064 50 0 EDAARO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(c2ccccc2)CC1 ZINC000071795976 441155463 /nfs/dbraw/zinc/15/54/63/441155463.db2.gz WXUJZVLMHGVIKS-MAUKXSAKSA-N 1 0 343.471 1.978 50 0 EDAARO CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072462617 441232613 /nfs/dbraw/zinc/23/26/13/441232613.db2.gz JGQKKDNQEXWZBB-HXUWFJFHSA-N 1 0 343.471 1.979 50 0 EDAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014967113 441191796 /nfs/dbraw/zinc/19/17/96/441191796.db2.gz ZBGGVWLLDUVGKU-MRXNPFEDSA-N 1 0 339.505 1.723 50 0 EDAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000058426602 441193947 /nfs/dbraw/zinc/19/39/47/441193947.db2.gz IXOMREHPFLVIQS-HNNXBMFYSA-N 1 0 335.835 1.894 50 0 EDAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)c1ccc2nnnn2n1 ZINC000071914887 441195619 /nfs/dbraw/zinc/19/56/19/441195619.db2.gz XKSWMTFREFVELE-HOCLYGCPSA-N 1 0 337.431 1.866 50 0 EDAARO Cc1nc(CN2CCC[C@H]([NH2+]CC(=O)Nc3nccs3)C2)no1 ZINC000072234599 441207365 /nfs/dbraw/zinc/20/73/65/441207365.db2.gz AXDNVFAJNXIDAQ-NSHDSACASA-N 1 0 336.421 1.027 50 0 EDAARO Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000015728768 441209607 /nfs/dbraw/zinc/20/96/07/441209607.db2.gz IAHKNFYTDTZRMM-CQSZACIVSA-N 1 0 347.463 1.166 50 0 EDAARO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN2c2cccnn2)c1 ZINC000072253910 441209685 /nfs/dbraw/zinc/20/96/85/441209685.db2.gz HZMAAAFDSQCEJM-DLBZAZTESA-N 1 0 342.443 1.783 50 0 EDAARO Cc1cnn(C[C@H](C)[NH2+]Cc2sc(N3CCOCC3)nc2C)c1 ZINC000072267376 441210442 /nfs/dbraw/zinc/21/04/42/441210442.db2.gz DKFBIAGRKNRMLS-ZDUSSCGKSA-N 1 0 335.477 1.971 50 0 EDAARO CC[C@@H](CNC(=O)CN1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000072267643 441210669 /nfs/dbraw/zinc/21/06/69/441210669.db2.gz VPIQRKPNPWGMJP-FUHWJXTLSA-N 1 0 333.476 1.559 50 0 EDAARO O=C(c1ccc2c(c1)OCCCO2)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072268943 441211609 /nfs/dbraw/zinc/21/16/09/441211609.db2.gz DMFOITHSYQDYLG-JKSUJKDBSA-N 1 0 346.427 1.519 50 0 EDAARO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)[C@H](C)n1cccn1 ZINC000072269707 441214707 /nfs/dbraw/zinc/21/47/07/441214707.db2.gz DLNDDCFWDPAGNS-IHRRRGAJSA-N 1 0 333.388 1.591 50 0 EDAARO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000072274252 441215510 /nfs/dbraw/zinc/21/55/10/441215510.db2.gz RNIRQXGPDCGSKX-QGZVFWFLSA-N 1 0 344.459 1.814 50 0 EDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCc3ccccc32)C1 ZINC000016336621 441218932 /nfs/dbraw/zinc/21/89/32/441218932.db2.gz VGFZKNNVTAATHO-QGZVFWFLSA-N 1 0 331.460 1.522 50 0 EDAARO C[C@@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[NH+]1CCCC1 ZINC000048275546 441283398 /nfs/dbraw/zinc/28/33/98/441283398.db2.gz PTMBFSZAWQFELS-HNNXBMFYSA-N 1 0 342.443 1.766 50 0 EDAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)c1cnc2c(c1)CCCC2 ZINC000082106553 441333260 /nfs/dbraw/zinc/33/32/60/441333260.db2.gz CBSWTJJTSXDQLJ-UHFFFAOYSA-N 1 0 325.416 1.580 50 0 EDAARO c1cnc(N2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)cn1 ZINC000082121481 441335376 /nfs/dbraw/zinc/33/53/76/441335376.db2.gz ZAZXWQYXFMBHEU-MRXNPFEDSA-N 1 0 332.448 1.763 50 0 EDAARO O=C(CCCOc1ccccc1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082121030 441335381 /nfs/dbraw/zinc/33/53/81/441335381.db2.gz GCCSKMCTABPCPC-UHFFFAOYSA-N 1 0 328.416 1.852 50 0 EDAARO CC(C)c1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)n(C)n1 ZINC000082160595 441338138 /nfs/dbraw/zinc/33/81/38/441338138.db2.gz VWHKGXYBSDDCLX-UHFFFAOYSA-N 1 0 333.480 1.397 50 0 EDAARO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccccc1)c1ccsc1 ZINC000025330885 441341036 /nfs/dbraw/zinc/34/10/36/441341036.db2.gz 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/nfs/dbraw/zinc/42/85/42/218428542.db2.gz BIERURHTJVEJBG-MRXNPFEDSA-N 1 0 329.444 1.022 50 0 EDAARO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2C=CCCC2)c1 ZINC000096462907 218845624 /nfs/dbraw/zinc/84/56/24/218845624.db2.gz KLTYOOQLNZFWFA-QGZVFWFLSA-N 1 0 344.459 1.886 50 0 EDAARO Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000097598527 219039051 /nfs/dbraw/zinc/03/90/51/219039051.db2.gz MOQGXUBNJPRMHM-OAHLLOKOSA-N 1 0 325.478 1.218 50 0 EDAARO COc1ccc2[nH]c(CN3CCN([C@H]4CC[NH2+]C4)CC3)c(C)c2c1 ZINC000097553179 219035662 /nfs/dbraw/zinc/03/56/62/219035662.db2.gz RVDOFQQQFXMXRV-HNNXBMFYSA-N 1 0 328.460 1.964 50 0 EDAARO O=C1Nc2ccccc2[C@]12[NH2+]C[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000170621085 296402157 /nfs/dbraw/zinc/40/21/57/296402157.db2.gz JDMJJGKWPZNOCL-OWDMVUQNSA-N 1 0 347.374 1.239 50 0 EDAARO Cc1ccccc1C[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000154003227 224188488 /nfs/dbraw/zinc/18/84/88/224188488.db2.gz BGSXTCRQFQTTNO-UHFFFAOYSA-N 1 0 348.472 1.671 50 0 EDAARO COc1ccc(N2C[C@H](C(=O)N3CCC[C@H]([NH3+])C3)CC2=O)cc1OC ZINC000299740504 258009378 /nfs/dbraw/zinc/00/93/78/258009378.db2.gz BEIBDJAVCXPBTK-OLZOCXBDSA-N 1 0 347.415 1.006 50 0 EDAARO C[C@H](CCC(=O)NCc1ccc(-c2ncon2)cc1)[NH+]1CCOCC1 ZINC000299775109 258086060 /nfs/dbraw/zinc/08/60/60/258086060.db2.gz GZIRERYIYQBHKK-CQSZACIVSA-N 1 0 344.415 1.854 50 0 EDAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCc1nncn1C ZINC000299783302 258091350 /nfs/dbraw/zinc/09/13/50/258091350.db2.gz YQJWOOPMOJHGCG-CQSZACIVSA-N 1 0 327.432 1.311 50 0 EDAARO C[C@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)C[NH+]1CCCC1 ZINC000055538433 132195402 /nfs/dbraw/zinc/19/54/02/132195402.db2.gz TWDNTZNZFIVYNT-HZPDHXFCSA-N 1 0 331.464 1.541 50 0 EDAARO Cn1cc(C[NH2+]Cc2ccc(N3CCCC[C@@H]3CCO)nc2)cn1 ZINC000097197974 135643579 /nfs/dbraw/zinc/64/35/79/135643579.db2.gz AWSFQKQYLIKUJR-QGZVFWFLSA-N 1 0 329.448 1.846 50 0 EDAARO CC[NH+]1CCN(c2ccc(-c3noc(-c4cc(C)[nH]n4)n3)cn2)CC1 ZINC000328593863 262515779 /nfs/dbraw/zinc/51/57/79/262515779.db2.gz SQARQMANATUXMN-UHFFFAOYSA-N 1 0 339.403 1.972 50 0 EDAARO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000274760431 268199566 /nfs/dbraw/zinc/19/95/66/268199566.db2.gz JXKCMXONQFMTCZ-VXGBXAGGSA-N 1 0 330.425 1.879 50 0 EDAARO O=C(NC1CCN(c2cccnn2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000277460929 273200701 /nfs/dbraw/zinc/20/07/01/273200701.db2.gz GNKXEUZPSUCVFH-QGZVFWFLSA-N 1 0 329.448 1.436 50 0 EDAARO CCN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000069737813 276063407 /nfs/dbraw/zinc/06/34/07/276063407.db2.gz UFDJDIRQSITSHU-XIRDDKMYSA-N 1 0 329.444 1.949 50 0 EDAARO CNC(=O)c1cccc(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000074407530 277260521 /nfs/dbraw/zinc/26/05/21/277260521.db2.gz KUHVLFIZLWTSMD-SJORKVTESA-N 1 0 344.459 1.467 50 0 EDAARO COC(=O)C1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000127446977 277312979 /nfs/dbraw/zinc/31/29/79/277312979.db2.gz YZWBUYCOGKSDNC-HNNXBMFYSA-N 1 0 325.453 1.701 50 0 EDAARO C[C@@H](CNC(=O)[C@](C)(c1ccccc1)[NH+]1CCCC1)N1CCOCC1 ZINC000065517076 277586658 /nfs/dbraw/zinc/58/66/58/277586658.db2.gz HOSOLYLLDONJRU-PXNSSMCTSA-N 1 0 345.487 1.835 50 0 EDAARO Cc1cnn(CCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000091665085 279032759 /nfs/dbraw/zinc/03/27/59/279032759.db2.gz IDIOHFNTVKDPTI-IAGOWNOFSA-N 1 0 334.464 1.134 50 0 EDAARO Cc1nc2c(cccc2C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)[nH]1 ZINC000219659424 279113087 /nfs/dbraw/zinc/11/30/87/279113087.db2.gz OYBCYYOZYIXQJH-GDBMZVCRSA-N 1 0 346.431 1.337 50 0 EDAARO O=C([C@H](c1ccccc1)[NH+]1CCCC1)N1CCC2(COC(=O)N2)CC1 ZINC000096010089 280123396 /nfs/dbraw/zinc/12/33/96/280123396.db2.gz IXDXRZSKDBVMJM-INIZCTEOSA-N 1 0 343.427 1.925 50 0 EDAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)no1 ZINC000010332673 280594039 /nfs/dbraw/zinc/59/40/39/280594039.db2.gz IXNKQNOSMVSGIO-ZDUSSCGKSA-N 1 0 334.351 1.480 50 0 EDAARO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2c1ncc(Br)cn1 ZINC000239782358 289334723 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C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000002849739 440880667 /nfs/dbraw/zinc/88/06/67/440880667.db2.gz QZQNRIIGYNUNKN-SNVBAGLBSA-N 1 0 335.267 1.925 50 0 EDAARO CC(=O)Nc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000002846790 440880937 /nfs/dbraw/zinc/88/09/37/440880937.db2.gz OOYHZBNQHGZPNK-UHFFFAOYSA-N 1 0 332.389 1.330 50 0 EDAARO COc1ccc([C@H]2NC(=[NH2+])NC(=N)N2c2ccccc2)cc1OC ZINC000003189609 440890167 /nfs/dbraw/zinc/89/01/67/440890167.db2.gz IESWMFRLFQDMQM-HNNXBMFYSA-N 1 0 325.372 1.852 50 0 EDAARO CN(C)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCC[N@H+](C)C2)cc1 ZINC000003258311 440892732 /nfs/dbraw/zinc/89/27/32/440892732.db2.gz LPPWHJXJKQPRQL-ZDUSSCGKSA-N 1 0 326.418 1.188 50 0 EDAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000005243620 440943832 /nfs/dbraw/zinc/94/38/32/440943832.db2.gz VQFJCOYQTCEGMM-UHFFFAOYSA-N 1 0 327.344 1.431 50 0 EDAARO Cc1cc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)no1 ZINC000044968602 440929471 /nfs/dbraw/zinc/92/94/71/440929471.db2.gz 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O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000237898985 443188133 /nfs/dbraw/zinc/18/81/33/443188133.db2.gz PQFCEBDONBCBOL-NEPJUHHUSA-N 1 0 329.322 1.832 50 0 EDAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000237979228 443190829 /nfs/dbraw/zinc/19/08/29/443190829.db2.gz TYBPKLQJEYMNFP-LBPRGKRZSA-N 1 0 333.251 1.702 50 0 EDAARO Cn1nc(C[NH2+]CCCSc2nnnn2C)c(-c2ccccc2)n1 ZINC000261492160 443160833 /nfs/dbraw/zinc/16/08/33/443160833.db2.gz SAVZXKNQQXSOIH-UHFFFAOYSA-N 1 0 344.448 1.278 50 0 EDAARO COc1ccsc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000245339254 443220746 /nfs/dbraw/zinc/22/07/46/443220746.db2.gz RNJUNXYANXIEFJ-AVGNSLFASA-N 1 0 342.486 1.862 50 0 EDAARO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000240912266 443204204 /nfs/dbraw/zinc/20/42/04/443204204.db2.gz IWZBDRSGCZBCMK-LLVKDONJSA-N 1 0 328.409 1.597 50 0 EDAARO CN(CCCc1cnn(C)c1)C(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000240825227 443204293 /nfs/dbraw/zinc/20/42/93/443204293.db2.gz QOESJKQKGQIWRU-GASCZTMLSA-N 1 0 345.451 1.159 50 0 EDAARO CCCCNc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc(N)n1 ZINC000240871479 443204416 /nfs/dbraw/zinc/20/44/16/443204416.db2.gz IKWLPRDZXADSKK-AWEZNQCLSA-N 1 0 334.468 1.429 50 0 EDAARO CC[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1C[C@H](O)C1 ZINC000244724508 443213731 /nfs/dbraw/zinc/21/37/31/443213731.db2.gz MVJDVYBXSBTJCK-GUDVDZBRSA-N 1 0 345.487 1.713 50 0 EDAARO O=C(CCCc1nc(-c2ccncc2)no1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000244795272 443214466 /nfs/dbraw/zinc/21/44/66/443214466.db2.gz RCXMXTBXMXPYJV-CABCVRRESA-N 1 0 341.415 1.807 50 0 EDAARO Cc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC(O)(c3ccccn3)CC2)n1 ZINC000244795646 443214690 /nfs/dbraw/zinc/21/46/90/443214690.db2.gz RKVLDTGRHQIWOC-SHTZXODSSA-N 1 0 339.443 1.873 50 0 EDAARO CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000305161803 444261644 /nfs/dbraw/zinc/26/16/44/444261644.db2.gz RMLFYINHHCCCQE-TZMCWYRMSA-N 1 0 346.349 1.656 50 0 EDAARO O=S1(=O)CCCN1C1CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000334119896 444787569 /nfs/dbraw/zinc/78/75/69/444787569.db2.gz KKXJZLRUCPZHPD-UHFFFAOYSA-N 1 0 337.449 1.055 50 0 EDAARO CN(CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000426504461 447460728 /nfs/dbraw/zinc/46/07/28/447460728.db2.gz IDTKKTGPCZWOSI-ROUUACIJSA-N 1 0 349.450 1.627 50 0 EDAARO Cc1cc(C)nc(CCNC(=O)c2ccc(C)c(OCC[NH3+])c2)n1 ZINC000426589777 447476875 /nfs/dbraw/zinc/47/68/75/447476875.db2.gz MRWTUDCUOKNMLV-UHFFFAOYSA-N 1 0 328.416 1.712 50 0 EDAARO C[NH+]1CCC(NC(=O)NC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000426596693 447477810 /nfs/dbraw/zinc/47/78/10/447477810.db2.gz YXSWDZAMDJRKOT-AWEZNQCLSA-N 1 0 341.839 1.473 50 0 EDAARO CCCN(Cc1ccccn1)C(=O)NCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000426574949 447474464 /nfs/dbraw/zinc/47/44/64/447474464.db2.gz CUQVRROPLWQVIC-OAHLLOKOSA-N 1 0 347.463 1.201 50 0 EDAARO CCn1ccc(C(=O)NCCn2c(C)c[nH+]c2C2CCOCC2)n1 ZINC000575558143 447865289 /nfs/dbraw/zinc/86/52/89/447865289.db2.gz RBWPHMYSGGDRFX-UHFFFAOYSA-N 1 0 331.420 1.732 50 0 EDAARO CN(Cc1ccc2ccccc2n1)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000584892425 448666279 /nfs/dbraw/zinc/66/62/79/448666279.db2.gz RZBCMSLEMPIFID-QGZVFWFLSA-N 1 0 326.444 1.829 50 0 EDAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccccn1 ZINC000584890289 448667036 /nfs/dbraw/zinc/66/70/36/448667036.db2.gz HYYKVKUSLHJEKG-BSLVTKGXSA-N 1 0 348.450 1.379 50 0 EDAARO C[NH+]1CCC(O)(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000584895500 448668296 /nfs/dbraw/zinc/66/82/96/448668296.db2.gz FGRHNOIHSFBMMU-INIZCTEOSA-N 1 0 328.416 1.197 50 0 EDAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)NCc2ccc(C(N)=O)cc2)C1 ZINC000584901294 448671867 /nfs/dbraw/zinc/67/18/67/448671867.db2.gz URXVLTOIVQKACB-ZDUSSCGKSA-N 1 0 330.432 1.554 50 0 EDAARO O=C(CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1)Nc1cccc(F)c1 ZINC000585140670 448708279 /nfs/dbraw/zinc/70/82/79/448708279.db2.gz IAKGPNGXOPNXHB-NSHDSACASA-N 1 0 346.362 1.845 50 0 EDAARO C[C@H](C1CC1)n1nccc1NC(=O)CN1CCC[C@H]1Cn1cccn1 ZINC000588079245 448867060 /nfs/dbraw/zinc/86/70/60/448867060.db2.gz PTSYZXFLHSMJQV-ZBFHGGJFSA-N 1 0 342.447 1.576 50 0 EDAARO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCCc2ccccc2C1 ZINC000592818652 449004732 /nfs/dbraw/zinc/00/47/32/449004732.db2.gz GRENIVRHUWNRFA-RHSMWYFYSA-N 1 0 329.444 1.547 50 0 EDAARO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@](C)(CO)C1 ZINC000630339003 451123543 /nfs/dbraw/zinc/12/35/43/451123543.db2.gz GQUMMCQEMHKYRM-AOIWGVFYSA-N 1 0 332.444 1.507 50 0 EDAARO COC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000645354560 452332432 /nfs/dbraw/zinc/33/24/32/452332432.db2.gz GIDKRPVXTSLSEQ-CYBMUJFWSA-N 1 0 332.429 1.618 50 0 EDAARO CCCn1nccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000670435252 486511942 /nfs/dbraw/zinc/51/19/42/486511942.db2.gz JJQUJGFHNVLOSW-UHFFFAOYSA-N 1 0 328.482 1.836 50 0 EDAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCc2ccc3nsnc3c2)C1 ZINC000670460420 486550853 /nfs/dbraw/zinc/55/08/53/486550853.db2.gz QVHNQAGGOBZCJZ-ZDUSSCGKSA-N 1 0 334.445 1.807 50 0 EDAARO O=C(c1nc2ncccn2n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000065288738 490997364 /nfs/dbraw/zinc/99/73/64/490997364.db2.gz WKDYPWWDQKRRIG-AWEZNQCLSA-N 1 0 328.420 1.605 50 0 EDAARO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(C)c(O)c2)CC1=O ZINC000131336069 529076234 /nfs/dbraw/zinc/07/62/34/529076234.db2.gz CQRKDYFLQREPKI-GDBMZVCRSA-N 1 0 345.443 1.972 50 0 EDAARO COc1ccnc(N2CC[NH+](CCn3cnc4ccccc43)CC2)n1 ZINC000243902121 537117277 /nfs/dbraw/zinc/11/72/77/537117277.db2.gz BGGZDSWKNYHQNB-UHFFFAOYSA-N 1 0 338.415 1.657 50 0 EDAARO COc1ccc([C@@H](C)C[N@@H+]2CCCC[C@@H]2CNS(N)(=O)=O)cc1 ZINC000888095758 591026795 /nfs/dbraw/zinc/02/67/95/591026795.db2.gz AQKBWOXZZGYLSP-DZGCQCFKSA-N 1 0 341.477 1.446 50 0 EDAARO CCn1c(C[NH2+]CCCO)nc(Br)c1Br ZINC000864088254 596752294 /nfs/dbraw/zinc/75/22/94/596752294.db2.gz ZQDYLSAEVZCKJF-UHFFFAOYSA-N 1 0 341.047 1.900 50 0 EDAARO Cn1c(CN2CC[C@H](Oc3cccnc3)C2)nc2ccccc2c1=O ZINC000154640552 697131221 /nfs/dbraw/zinc/13/12/21/697131221.db2.gz CJLQSHDRZVKHKK-HNNXBMFYSA-N 1 0 336.395 1.982 50 0 EDAARO NC(=O)C1CC[NH+](CC(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000051185895 214082060 /nfs/dbraw/zinc/08/20/60/214082060.db2.gz PLBBGRAZUCLKOX-MRXNPFEDSA-N 1 0 329.444 1.420 50 0 EDAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000065470088 282097694 /nfs/dbraw/zinc/09/76/94/282097694.db2.gz JDOHNTWFXMXRCZ-AWEZNQCLSA-N 1 0 338.477 1.429 50 0 EDAARO CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc2c(c1)OCO2 ZINC000052453585 214129888 /nfs/dbraw/zinc/12/98/88/214129888.db2.gz ZLOVZTBNVSEXAS-UHFFFAOYSA-N 1 0 347.415 1.958 50 0 EDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000052819818 214147752 /nfs/dbraw/zinc/14/77/52/214147752.db2.gz VSWIRZOHBZULJO-ZDUSSCGKSA-N 1 0 328.416 1.077 50 0 EDAARO C[C@@H](c1ccc(C(=O)NCCN2CCNC2=O)o1)[NH+]1CCCCC1 ZINC000055088314 214271444 /nfs/dbraw/zinc/27/14/44/214271444.db2.gz JNVVQPUSPLUEDF-ZDUSSCGKSA-N 1 0 334.420 1.582 50 0 EDAARO Cc1c(C(=O)N2CCC([NH+]3CCSCC3)CC2)cnc2ccnn21 ZINC000097784760 219056659 /nfs/dbraw/zinc/05/66/59/219056659.db2.gz MYVRCCTWQCRZJT-UHFFFAOYSA-N 1 0 345.472 1.691 50 0 EDAARO COC(=O)c1ccc([C@@H](N)[C@H]([NH3+])c2ccc(C(=O)OC)cc2)cc1 ZINC000098073365 219078472 /nfs/dbraw/zinc/07/84/72/219078472.db2.gz JAJUJYTZXAOLOG-HZPDHXFCSA-N 1 0 328.368 1.960 50 0 EDAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000178975970 529992913 /nfs/dbraw/zinc/99/29/13/529992913.db2.gz JUXHCDFWFDFMND-YOEHRIQHSA-N 1 0 335.423 1.267 50 0 EDAARO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000065403953 214894126 /nfs/dbraw/zinc/89/41/26/214894126.db2.gz CYRXNAZVDCNFOR-KRWDZBQOSA-N 1 0 331.460 1.802 50 0 EDAARO C[C@@H](O)[C@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067673085 215177754 /nfs/dbraw/zinc/17/77/54/215177754.db2.gz LXLONGKJQZGSFP-OTYXRUKQSA-N 1 0 337.326 1.476 50 0 EDAARO [NH3+]C[C@H]1Cc2cccc(-c3ccc(C(=O)N4CCOCC4)o3)c2O1 ZINC000067726892 215195921 /nfs/dbraw/zinc/19/59/21/215195921.db2.gz VMTQNOZNTWQJAJ-CYBMUJFWSA-N 1 0 328.368 1.681 50 0 EDAARO COc1cccc(OCc2cc(C(=O)NC[C@@H]3CCC[NH2+]3)[nH]n2)c1 ZINC000067725424 215196082 /nfs/dbraw/zinc/19/60/82/215196082.db2.gz VKYFXIJOSSXUPE-LBPRGKRZSA-N 1 0 330.388 1.479 50 0 EDAARO COc1cc2[nH]c(=O)c(C[N@@H+]3CC=C[C@H]3CO)cc2c(OC)c1OC ZINC000067774880 215210569 /nfs/dbraw/zinc/21/05/69/215210569.db2.gz FQQGYOUPKLDZPY-LBPRGKRZSA-N 1 0 346.383 1.287 50 0 EDAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3ccon3)cnn2c1 ZINC000067804189 215216327 /nfs/dbraw/zinc/21/63/27/215216327.db2.gz ZLTIQPSNCXBLKR-UHFFFAOYSA-N 1 0 328.376 1.489 50 0 EDAARO CN(C)c1nc2c(c(NCc3nnc4n3CCCCC4)n1)CC[NH2+]C2 ZINC000067948048 215257773 /nfs/dbraw/zinc/25/77/73/215257773.db2.gz KYLROFZIZFCJHX-UHFFFAOYSA-N 1 0 342.451 1.118 50 0 EDAARO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](C)CC1 ZINC000068830423 215339166 /nfs/dbraw/zinc/33/91/66/215339166.db2.gz PHBSFGQJCLCLFF-STQMWFEESA-N 1 0 339.461 1.783 50 0 EDAARO C[C@H](O)C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000040743947 213380624 /nfs/dbraw/zinc/38/06/24/213380624.db2.gz IYBZKNRMQTWRKT-ZDUSSCGKSA-N 1 0 325.372 1.925 50 0 EDAARO Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(C)(C)[NH+](C)C ZINC000069415549 215403573 /nfs/dbraw/zinc/40/35/73/215403573.db2.gz ZAYQSVRQDXFECS-UHFFFAOYSA-N 1 0 331.420 1.209 50 0 EDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N=c2[nH]c3ccccc3[nH]2)C1 ZINC000040139487 213270568 /nfs/dbraw/zinc/27/05/68/213270568.db2.gz TVQNWRNEIUNDDK-CYBMUJFWSA-N 1 0 331.420 1.463 50 0 EDAARO COc1cccc(NC(=O)Nc2cnn(C[C@@H](O)C[NH+](C)C)c2)c1 ZINC000069700254 215538390 /nfs/dbraw/zinc/53/83/90/215538390.db2.gz OWVJQOAYCRVVFE-AWEZNQCLSA-N 1 0 333.392 1.458 50 0 EDAARO CSCC[C@@H](NC(N)=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000033019865 212889082 /nfs/dbraw/zinc/88/90/82/212889082.db2.gz SHMZAJZXRUTUST-GFCCVEGCSA-N 1 0 330.498 1.157 50 0 EDAARO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CNc3c(C(N)=O)cnn3C2)s1 ZINC000071888682 215926502 /nfs/dbraw/zinc/92/65/02/215926502.db2.gz XCAWPBFAQLEKOK-LDYMZIIASA-N 1 0 334.449 1.448 50 0 EDAARO CC[C@@H](C)CS(=O)(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1 ZINC000071904720 215947635 /nfs/dbraw/zinc/94/76/35/215947635.db2.gz QQGKHYOJUQTRIE-CQSZACIVSA-N 1 0 333.542 1.757 50 0 EDAARO C[NH2+]CC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072129403 216019041 /nfs/dbraw/zinc/01/90/41/216019041.db2.gz MMAJDISQGKQDFV-KBAYOESNSA-N 1 0 335.398 1.573 50 0 EDAARO O=C([O-])[C@H]1CC2(C[N@H+]1Cc1ccccc1OCCO)CC[NH2+]CC2 ZINC000072128307 216019614 /nfs/dbraw/zinc/01/96/14/216019614.db2.gz DFCCIEQVWLCEDY-OAHLLOKOSA-N 1 0 334.416 1.086 50 0 EDAARO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cn1 ZINC000072121745 216014791 /nfs/dbraw/zinc/01/47/91/216014791.db2.gz DVNNNHFTFRUQDT-OAHLLOKOSA-N 1 0 343.431 1.437 50 0 EDAARO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)cc(=O)[nH]1 ZINC000072162593 216050697 /nfs/dbraw/zinc/05/06/97/216050697.db2.gz ANEQECMSZRZGOK-GFCCVEGCSA-N 1 0 325.372 1.994 50 0 EDAARO COc1ccc(Cn2cc(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]CC4)nn2)cc1 ZINC000072154323 216043764 /nfs/dbraw/zinc/04/37/64/216043764.db2.gz UMYDMPQZSFKHSB-CABCVRRESA-N 1 0 341.415 1.302 50 0 EDAARO O=C(c1ccc2c(c1)CCCO2)N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000072154283 216044478 /nfs/dbraw/zinc/04/44/78/216044478.db2.gz KMXNMANHTBBBIF-IEBWSBKVSA-N 1 0 330.428 1.588 50 0 EDAARO COc1ccc(F)cc1C(=O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072162888 216051546 /nfs/dbraw/zinc/05/15/46/216051546.db2.gz AUEVGNFVYWOFKL-HNNXBMFYSA-N 1 0 336.407 1.896 50 0 EDAARO CC[C@@H]1CN([C@@H](C)C(=O)NCC2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000072279683 216105773 /nfs/dbraw/zinc/10/57/73/216105773.db2.gz YOBDMUMUENBDNC-SOLBZPMBSA-N 1 0 339.524 1.848 50 0 EDAARO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000106787770 219691865 /nfs/dbraw/zinc/69/18/65/219691865.db2.gz JOTAQEMKDINKEZ-ZNMIVQPWSA-N 1 0 335.448 1.181 50 0 EDAARO CSCc1noc(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072423874 216213143 /nfs/dbraw/zinc/21/31/43/216213143.db2.gz FEUISDRMTLIKMW-UHFFFAOYSA-N 1 0 331.405 1.144 50 0 EDAARO CN(C[C@@H]1COc2ccccc2O1)c1nc(N)nc2c1CC[NH2+]CC2 ZINC000072430409 216221626 /nfs/dbraw/zinc/22/16/26/216221626.db2.gz OPQATUMRNPPSEL-GFCCVEGCSA-N 1 0 341.415 1.023 50 0 EDAARO Cc1noc(-c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2)n1 ZINC000072432877 216226790 /nfs/dbraw/zinc/22/67/90/216226790.db2.gz UPVPGKVYLTYZML-HNNXBMFYSA-N 1 0 329.404 1.741 50 0 EDAARO Cc1nc2c(c(N(C)Cc3noc4c3CCCC4)n1)CC[NH2+]CC2 ZINC000072440511 216235153 /nfs/dbraw/zinc/23/51/53/216235153.db2.gz JMSVMNFNZZAVJD-UHFFFAOYSA-N 1 0 327.432 1.976 50 0 EDAARO Cc1cc(=O)c(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)c[nH]1 ZINC000072472895 216249987 /nfs/dbraw/zinc/24/99/87/216249987.db2.gz HDSGIQVMZBIREQ-CQSZACIVSA-N 1 0 333.432 1.256 50 0 EDAARO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000073476739 216389153 /nfs/dbraw/zinc/38/91/53/216389153.db2.gz HQTXVAWRYXIKHK-KRWDZBQOSA-N 1 0 343.471 1.862 50 0 EDAARO [NH3+]Cc1cn(CC2CCN(C(=O)CSc3ccccc3)CC2)nn1 ZINC000023340374 212369506 /nfs/dbraw/zinc/36/95/06/212369506.db2.gz QKBVICDLIHSIJO-UHFFFAOYSA-N 1 0 345.472 1.768 50 0 EDAARO Cn1ncc(N2CC[C@H](C[NH2+]C3CSCCSC3)C2)cc1=O ZINC000023145642 212355384 /nfs/dbraw/zinc/35/53/84/212355384.db2.gz COICOKHSRMSHEB-GFCCVEGCSA-N 1 0 340.518 1.045 50 0 EDAARO COc1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)c(OC)c1 ZINC000022999018 212342134 /nfs/dbraw/zinc/34/21/34/212342134.db2.gz WCSFAUVBMUAXOP-UHFFFAOYSA-N 1 0 335.404 1.100 50 0 EDAARO c1ccc(-c2ncc(CN3CC[NH+](C4CCOCC4)CC3)cn2)nc1 ZINC000215193025 241111252 /nfs/dbraw/zinc/11/12/52/241111252.db2.gz NVHQBOPNQQGKOS-UHFFFAOYSA-N 1 0 339.443 1.835 50 0 EDAARO NC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000216539865 241201714 /nfs/dbraw/zinc/20/17/14/241201714.db2.gz BFJOOADXDIXPII-KRWDZBQOSA-N 1 0 347.459 1.237 50 0 EDAARO COCc1nc([C@H]2C[C@@H]([NH2+]C3Cc4ccccc4C3)C2)cc(=O)[nH]1 ZINC000218972436 241354641 /nfs/dbraw/zinc/35/46/41/241354641.db2.gz 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50 0 EDAARO C[NH2+]CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071721501 441148746 /nfs/dbraw/zinc/14/87/46/441148746.db2.gz JMXAXLNSFULRBZ-INIZCTEOSA-N 1 0 335.423 1.631 50 0 EDAARO CN(C)c1nc2c(c(NCc3ccccc3-n3cccn3)n1)CC[NH2+]C2 ZINC000071752261 441150828 /nfs/dbraw/zinc/15/08/28/441150828.db2.gz RJUVHSLLFDMNFM-UHFFFAOYSA-N 1 0 349.442 1.986 50 0 EDAARO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCCC2)cc1 ZINC000012999064 441151435 /nfs/dbraw/zinc/15/14/35/441151435.db2.gz VGPFJFIUAFEUAG-ZDUSSCGKSA-N 1 0 339.461 1.796 50 0 EDAARO CC(C)C[N@@H+]1CCN(c2ccnc(C(=O)NC(C)C)c2)C[C@@H]1CCO ZINC000071757106 441151728 /nfs/dbraw/zinc/15/17/28/441151728.db2.gz DEBBZSLQEFFBCQ-KRWDZBQOSA-N 1 0 348.491 1.749 50 0 EDAARO O=c1c2ccccc2nnn1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000058156586 441153618 /nfs/dbraw/zinc/15/36/18/441153618.db2.gz OZDHMLUCSWBGHF-MRXNPFEDSA-N 1 0 336.395 1.211 50 0 EDAARO CC(C)[C@@H](CNC(=O)NCCc1ccccn1)[NH+]1CCN(C)CC1 ZINC000071798645 441156400 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C[NH+](C)[C@H]1CCCN(C(=O)NCCNC(=O)Cc2ccccc2)C1 ZINC000072274289 441215955 /nfs/dbraw/zinc/21/59/55/441215955.db2.gz WCFMGZUWUYEFJL-INIZCTEOSA-N 1 0 332.448 1.081 50 0 EDAARO C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCN1c1cccnn1)c1cccs1 ZINC000072276718 441217869 /nfs/dbraw/zinc/21/78/69/441217869.db2.gz DNPLQPDMUWEEKF-KBPBESRZSA-N 1 0 345.472 1.974 50 0 EDAARO C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000072300559 441227098 /nfs/dbraw/zinc/22/70/98/441227098.db2.gz XGSQRAUGBMBSLH-BBRMVZONSA-N 1 0 333.457 1.994 50 0 EDAARO O=C(Nc1cc[nH]n1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000061717691 441285771 /nfs/dbraw/zinc/28/57/71/441285771.db2.gz PWUXYAGQCDEKDD-UHFFFAOYSA-N 1 0 327.388 1.129 50 0 EDAARO Cc1c(C[NH+]2CCC(C(N)=O)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023282150 441293635 /nfs/dbraw/zinc/29/36/35/441293635.db2.gz JTWOIXRTFYXTDH-UHFFFAOYSA-N 1 0 328.416 1.182 50 0 EDAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1ccsc1 ZINC000025329128 441341021 /nfs/dbraw/zinc/34/10/21/441341021.db2.gz VDGCDAUMFZKAMD-OAHLLOKOSA-N 1 0 342.428 1.757 50 0 EDAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)N[C@H]1CCCCNC1=O ZINC000106511570 441348292 /nfs/dbraw/zinc/34/82/92/441348292.db2.gz PDYKVNBLOLGQGE-SJORKVTESA-N 1 0 329.444 1.478 50 0 EDAARO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCC(=O)NC2CC2)cc1 ZINC000048356122 441298236 /nfs/dbraw/zinc/29/82/36/441298236.db2.gz SFKGUZBWYKITJK-MRXNPFEDSA-N 1 0 331.416 1.767 50 0 EDAARO COc1ccc(-c2c(N)[n+](=O)c3ccc(C=O)cc3n2O)cc1OC ZINC000048547902 441312255 /nfs/dbraw/zinc/31/22/55/441312255.db2.gz ULZFPDQXBLQSIN-UHFFFAOYSA-N 1 0 342.331 1.872 50 0 EDAARO OC[C@@H]1CCCN1c1cc(NC[C@@H]2COc3ccccc3O2)ncn1 ZINC000106905784 441386857 /nfs/dbraw/zinc/38/68/57/441386857.db2.gz RUMBRBDUIHPOBH-UONOGXRCSA-N 1 0 342.399 1.690 50 0 EDAARO CCC[N@H+](Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000106931428 441392123 /nfs/dbraw/zinc/39/21/23/441392123.db2.gz DGWQTOIJBXGBCF-HUUCEWRRSA-N 1 0 337.464 1.500 50 0 EDAARO Cc1nc(CN2CCC[C@H]([NH2+]C[C@@H](O)COc3ccccc3)C2)no1 ZINC000106779771 441370398 /nfs/dbraw/zinc/37/03/98/441370398.db2.gz PVWAZLCTEVDTRX-JKSUJKDBSA-N 1 0 346.431 1.372 50 0 EDAARO Cn1cnc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c1Cl ZINC000027960476 441420191 /nfs/dbraw/zinc/42/01/91/441420191.db2.gz VVBJWBPVOSSKCJ-UHFFFAOYSA-N 1 0 342.852 1.614 50 0 EDAARO Cc1cc(C(=O)NCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)n(C)n1 ZINC000065412463 441429206 /nfs/dbraw/zinc/42/92/06/441429206.db2.gz CQDMCTFDVQCUQO-GOSISDBHSA-N 1 0 341.459 1.447 50 0 EDAARO C[C@@H](Cn1cccn1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000065452880 441436736 /nfs/dbraw/zinc/43/67/36/441436736.db2.gz ZCVUUXDKKYJSOC-HNNXBMFYSA-N 1 0 335.452 1.025 50 0 EDAARO Cc1ccnc(NC[C@@H]2CC[N@H+](CCCNS(C)(=O)=O)C2)c1 ZINC000065474195 441441073 /nfs/dbraw/zinc/44/10/73/441441073.db2.gz HZBUGWMLHLYGFA-AWEZNQCLSA-N 1 0 326.466 1.063 50 0 EDAARO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000065474416 441441796 /nfs/dbraw/zinc/44/17/96/441441796.db2.gz VMWKRMRUQVFFPY-CQSZACIVSA-N 1 0 344.459 1.673 50 0 EDAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000065491082 441444228 /nfs/dbraw/zinc/44/42/28/441444228.db2.gz CXHCMIGFNQOMOB-ZDUSSCGKSA-N 1 0 326.462 1.727 50 0 EDAARO c1cc2nccc(NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)c2cn1 ZINC000075094572 441493837 /nfs/dbraw/zinc/49/38/37/441493837.db2.gz BMLMIRFAICDZHY-KSSFIOAISA-N 1 0 328.416 1.779 50 0 EDAARO Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000065591152 441465691 /nfs/dbraw/zinc/46/56/91/441465691.db2.gz FRCULRRVUCPGON-ZIAGYGMSSA-N 1 0 341.411 1.638 50 0 EDAARO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccccc1 ZINC000089143315 441526702 /nfs/dbraw/zinc/52/67/02/441526702.db2.gz PAUBCZAALFZTGZ-PXAZEXFGSA-N 1 0 340.383 1.663 50 0 EDAARO COCC[NH+]1CCC(CNC(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000089414467 441548216 /nfs/dbraw/zinc/54/82/16/441548216.db2.gz LCNWIIVLCTYWTC-UHFFFAOYSA-N 1 0 342.443 1.961 50 0 EDAARO CC[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCNS(C)(=O)=O ZINC000075917793 441566530 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CC(C)n1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000188949881 442847605 /nfs/dbraw/zinc/84/76/05/442847605.db2.gz HIYBTDINYNFYET-UHFFFAOYSA-N 1 0 328.420 1.863 50 0 EDAARO COc1cccc([C@H]2[C@H](NC(=O)C3=COCCO3)CC[N@@H+]2C2CC2)c1 ZINC000183243298 442909964 /nfs/dbraw/zinc/90/99/64/442909964.db2.gz VIAGAIJQAFRMKZ-AEFFLSMTSA-N 1 0 344.411 1.977 50 0 EDAARO CCc1nc(C)cc(NCCCN2CCN(c3ncccn3)CC2)n1 ZINC000252492183 443032452 /nfs/dbraw/zinc/03/24/52/443032452.db2.gz MFHDABAEDVQYJQ-UHFFFAOYSA-N 1 0 341.463 1.762 50 0 EDAARO NC(=O)[C@@H]1CCCN(c2ncccc2CNC(=O)N2CCCCO2)C1 ZINC000252497265 443033755 /nfs/dbraw/zinc/03/37/55/443033755.db2.gz QCQNBSGFDDYJEF-CQSZACIVSA-N 1 0 347.419 1.020 50 0 EDAARO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cnc2c(cnn2C)c1 ZINC000195578890 443034497 /nfs/dbraw/zinc/03/44/97/443034497.db2.gz WKOWGJLQJMOUPG-ZDUSSCGKSA-N 1 0 339.465 1.223 50 0 EDAARO C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1cccnc1 ZINC000252509386 443037575 /nfs/dbraw/zinc/03/75/75/443037575.db2.gz 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CCOC(=O)CCCC[C@H](O)c1[nH]c(=O)[nH]c1C[NH+]1CCCCC1 ZINC000002784271 440876558 /nfs/dbraw/zinc/87/65/58/440876558.db2.gz JBXAVVCHDPZKBF-AWEZNQCLSA-N 1 0 339.436 1.846 50 0 EDAARO Cc1nn([C@H](C)C(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000002781301 440877426 /nfs/dbraw/zinc/87/74/26/440877426.db2.gz KQVDQFYBHZWFLW-SNVBAGLBSA-N 1 0 329.242 1.725 50 0 EDAARO Cc1cc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n(C)n1 ZINC000044945012 440919381 /nfs/dbraw/zinc/91/93/81/440919381.db2.gz ILZKQOQYBKZZHS-UHFFFAOYSA-N 1 0 343.435 1.197 50 0 EDAARO Cn1cc(C[N@H+](C)C[C@H](O)COCc2ccc3c(c2)OCO3)cn1 ZINC000044890590 440900151 /nfs/dbraw/zinc/90/01/51/440900151.db2.gz AOQBZEXDHGJWNO-HNNXBMFYSA-N 1 0 333.388 1.158 50 0 EDAARO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc2c1OCO2 ZINC000007127845 441037334 /nfs/dbraw/zinc/03/73/34/441037334.db2.gz YSKFVOKWAVUSET-OAHLLOKOSA-N 1 0 337.339 1.870 50 0 EDAARO C[NH+](C)C[C@H](O)Cn1cc(NC(=O)Nc2ccc3c(c2)CCC3)cn1 ZINC000070040591 441108226 /nfs/dbraw/zinc/10/82/26/441108226.db2.gz 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CC[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1cnn(C)c1)C(=O)Nc1cc(C)on1 ZINC000084718750 486280153 /nfs/dbraw/zinc/28/01/53/486280153.db2.gz BBHJPVMPIJMFEJ-INWMFGNUSA-N 1 0 347.419 1.801 50 0 EDAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccccc1OC ZINC000084736386 486283006 /nfs/dbraw/zinc/28/30/06/486283006.db2.gz CKBQWARXNMZNGH-HIFRSBDPSA-N 1 0 326.462 1.845 50 0 EDAARO CCNC(=O)c1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)ccc1Cl ZINC000299764338 521747235 /nfs/dbraw/zinc/74/72/35/521747235.db2.gz UIQVTXXSMMRUIT-IINYFYTJSA-N 1 0 336.823 1.915 50 0 EDAARO C[C@H](Cc1cncs1)NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000252668862 524765104 /nfs/dbraw/zinc/76/51/04/524765104.db2.gz FUMYIZFGXCDLFB-UTUOFQBUSA-N 1 0 334.449 1.538 50 0 EDAARO COc1ccccc1C1=NO[C@@](C)(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000226753640 537013500 /nfs/dbraw/zinc/01/35/00/537013500.db2.gz RQCJLBRGOOPHDE-GOSISDBHSA-N 1 0 331.416 1.789 50 0 EDAARO Cc1c(N)nc(-c2ccccn2)nc1N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000888095164 591025202 /nfs/dbraw/zinc/02/52/02/591025202.db2.gz LAEKANIREPJQPB-OLZOCXBDSA-N 1 0 342.447 1.321 50 0 EDAARO C[NH+](C)C[C@H](NC(=O)CCCS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000864057945 596747215 /nfs/dbraw/zinc/74/72/15/596747215.db2.gz PMHZXMKOQXUPRB-ZDUSSCGKSA-N 1 0 347.868 1.128 50 0 EDAARO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000864097110 596754849 /nfs/dbraw/zinc/75/48/49/596754849.db2.gz NVFWIRGYGKDRMM-UKRRQHHQSA-N 1 0 326.462 1.197 50 0 EDAARO COCC[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000053432581 214183276 /nfs/dbraw/zinc/18/32/76/214183276.db2.gz NFEMRKJRYKCRPQ-UHFFFAOYSA-N 1 0 336.461 1.995 50 0 EDAARO CNC(=O)C1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000053847029 214202987 /nfs/dbraw/zinc/20/29/87/214202987.db2.gz PPKJFVOCEZMMFU-UHFFFAOYSA-N 1 0 334.807 1.306 50 0 EDAARO COCCN(Cc1cnn(C)c1)C(=O)CSCC[NH+]1CCCC1 ZINC000055089189 214270590 /nfs/dbraw/zinc/27/05/90/214270590.db2.gz HDXMXMKFAPGREY-UHFFFAOYSA-N 1 0 340.493 1.224 50 0 EDAARO CC(C)[N@H+](C)C[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000055284412 214301883 /nfs/dbraw/zinc/30/18/83/214301883.db2.gz DTQMAQCIDMQLGM-MRXNPFEDSA-N 1 0 331.460 1.947 50 0 EDAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1ccc(-c2cc[nH]n2)cc1 ZINC000097785333 219057781 /nfs/dbraw/zinc/05/77/81/219057781.db2.gz GFGWXFQOXSRCIK-CQSZACIVSA-N 1 0 328.416 1.511 50 0 EDAARO C[NH+](C)[C@H]1CCCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 ZINC000082160770 282251668 /nfs/dbraw/zinc/25/16/68/282251668.db2.gz IRFHQJUPMMEGCX-HNNXBMFYSA-N 1 0 338.473 1.793 50 0 EDAARO CC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3C)[C@H]1O5 ZINC000004102204 210120493 /nfs/dbraw/zinc/12/04/93/210120493.db2.gz JJGYGPZNTOPXGV-SSTWWWIQSA-N 1 0 327.380 1.769 50 0 in-vitro EDAARO O=C1Nc2ccccc2[C@@]12[NH2+]C[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000101771431 219163675 /nfs/dbraw/zinc/16/36/75/219163675.db2.gz JDMJJGKWPZNOCL-AUJRIZCKSA-N 1 0 347.374 1.239 50 0 EDAARO O=c1c2ccccc2ncn1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000066482213 215046144 /nfs/dbraw/zinc/04/61/44/215046144.db2.gz LVKJVCAGBBDTDS-QGZVFWFLSA-N 1 0 335.407 1.816 50 0 EDAARO O=C(N1CCC(F)(F)C1)[C@]12C[N@H+](Cc3ccon3)C[C@@H]1COCC2 ZINC000685940431 539577295 /nfs/dbraw/zinc/57/72/95/539577295.db2.gz LFVGOUSVHMPFNK-IUODEOHRSA-N 1 0 341.358 1.381 50 0 EDAARO Cc1nnc2n1C[C@H](C[NH+](C)C)N(C(=O)c1coc(C3CC3)n1)C2 ZINC000685942994 539582491 /nfs/dbraw/zinc/58/24/91/539582491.db2.gz PPGMPHCJFJOGMC-LBPRGKRZSA-N 1 0 330.392 1.038 50 0 EDAARO COc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1O ZINC000067218677 215125072 /nfs/dbraw/zinc/12/50/72/215125072.db2.gz PIZITDWCTVMTEG-QGZVFWFLSA-N 1 0 338.473 1.698 50 0 EDAARO O=C(C[NH+]1CCCCC1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067589017 215165847 /nfs/dbraw/zinc/16/58/47/215165847.db2.gz WXEKBRKFEWXABL-JKSUJKDBSA-N 1 0 346.427 1.578 50 0 EDAARO CCc1nn(C)c(Cl)c1CN1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067541034 215159257 /nfs/dbraw/zinc/15/92/57/215159257.db2.gz SDNCPAAORQYVOA-UHFFFAOYSA-N 1 0 339.915 1.848 50 0 EDAARO CN(c1ccc(C(=O)NCCC[NH+](C)C)c(Cl)c1)S(C)(=O)=O ZINC000067602187 215166167 /nfs/dbraw/zinc/16/61/67/215166167.db2.gz ZDFYDVMEZWRIBK-UHFFFAOYSA-N 1 0 347.868 1.417 50 0 EDAARO Cn1nc([C@@H]2CCCN(C3CC[NH2+]CC3)C2)n(-c2ccccc2)c1=O ZINC000067674270 215179678 /nfs/dbraw/zinc/17/96/78/215179678.db2.gz AUPPVOGLZXZHPE-OAHLLOKOSA-N 1 0 341.459 1.502 50 0 EDAARO COc1ccccc1-n1cc(C2=CC[N@H+](CCOCCO)CC2)cn1 ZINC000067714347 215193461 /nfs/dbraw/zinc/19/34/61/215193461.db2.gz QMMXYRKOMZFYOW-UHFFFAOYSA-N 1 0 343.427 1.979 50 0 EDAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC000067803661 215215648 /nfs/dbraw/zinc/21/56/48/215215648.db2.gz YZALDFDBHAULQX-CYBMUJFWSA-N 1 0 338.415 1.846 50 0 EDAARO CN(Cc1[nH]nc2c1CCC2)C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067819082 215221950 /nfs/dbraw/zinc/22/19/50/215221950.db2.gz OSEBWNJJJMTMKR-SWLSCSKDSA-N 1 0 343.435 1.622 50 0 EDAARO c1ccc(-c2nc3c(c(NC[C@H]4COCCO4)n2)CC[NH2+]C3)cc1 ZINC000067880214 215238927 /nfs/dbraw/zinc/23/89/27/215238927.db2.gz BFWPJAZIUUVBKQ-AWEZNQCLSA-N 1 0 326.400 1.617 50 0 EDAARO O=C(NC[C@H]1CC[N@H+](Cc2ccncc2)C1)c1c(O)cccc1O ZINC000067880450 215239509 /nfs/dbraw/zinc/23/95/09/215239509.db2.gz FVPZIDGPUISEQM-CQSZACIVSA-N 1 0 327.384 1.745 50 0 EDAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(-c2ncc[nH]2)c1 ZINC000067895289 215244258 /nfs/dbraw/zinc/24/42/58/215244258.db2.gz SCUKSNZYQRGRGO-GJZGRUSLSA-N 1 0 341.415 1.143 50 0 EDAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC(OC)CC3)cnn2c1 ZINC000067981660 215265514 /nfs/dbraw/zinc/26/55/14/215265514.db2.gz AJKVUYNJVZHHNW-UHFFFAOYSA-N 1 0 345.447 1.822 50 0 EDAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CCO1 ZINC000068095672 215277134 /nfs/dbraw/zinc/27/71/34/215277134.db2.gz PQSALEVUDCDXFR-GFCCVEGCSA-N 1 0 329.404 1.283 50 0 EDAARO O=C(c1n[nH]c2ccccc21)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000040505211 213326313 /nfs/dbraw/zinc/32/63/13/213326313.db2.gz DQPPQLCDYKFREI-AWEZNQCLSA-N 1 0 328.416 1.890 50 0 EDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(-c3ccccc3)n2)C1 ZINC000040088834 213260982 /nfs/dbraw/zinc/26/09/82/213260982.db2.gz TTYZILRGLDMDFY-KRWDZBQOSA-N 1 0 342.443 1.959 50 0 EDAARO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(=O)[nH]c1=O ZINC000036389728 213093898 /nfs/dbraw/zinc/09/38/98/213093898.db2.gz YOQYIVCBJHNJAE-QWHCGFSZSA-N 1 0 348.447 1.366 50 0 EDAARO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000071310313 215757542 /nfs/dbraw/zinc/75/75/42/215757542.db2.gz HTNXDFCVVGPMLA-SNVBAGLBSA-N 1 0 333.251 1.740 50 0 EDAARO O[C@H](C[NH2+][C@@H]1CCCN(c2cccnn2)C1)COCc1ccccc1 ZINC000071876882 215910669 /nfs/dbraw/zinc/91/06/69/215910669.db2.gz FSCRUUYXGYTQDI-QZTJIDSGSA-N 1 0 342.443 1.613 50 0 EDAARO O=C1CCN(c2nc(-c3c[nH]c4ccccc43)nc3c2C[NH2+]C3)CCN1 ZINC000072133713 216022660 /nfs/dbraw/zinc/02/26/60/216022660.db2.gz AYNBLKLPAQIIKI-UHFFFAOYSA-N 1 0 348.410 1.554 50 0 EDAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000072135617 216024824 /nfs/dbraw/zinc/02/48/24/216024824.db2.gz KWNLTEXZDGAUKD-SFHVURJKSA-N 1 0 328.416 1.524 50 0 EDAARO O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000072139111 216025898 /nfs/dbraw/zinc/02/58/98/216025898.db2.gz DZDQDXIJNAQCJE-MRXNPFEDSA-N 1 0 331.416 1.169 50 0 EDAARO CCOc1ncccc1C(=O)N1CCC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000072146229 216032390 /nfs/dbraw/zinc/03/23/90/216032390.db2.gz SDHXJFJZOIZSBF-MRXNPFEDSA-N 1 0 347.459 1.789 50 0 EDAARO C[NH+](C)C[C@]1(O)CCCN(CCS(=O)(=O)c2ccccc2)CC1 ZINC000072150348 216037906 /nfs/dbraw/zinc/03/79/06/216037906.db2.gz YLABDDCKOZUQEN-KRWDZBQOSA-N 1 0 340.489 1.239 50 0 EDAARO OC[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ncccn23)C[C@@H]1O ZINC000072157022 216046547 /nfs/dbraw/zinc/04/65/47/216046547.db2.gz PCGWELCULLYMMN-WBVHZDCISA-N 1 0 338.411 1.571 50 0 EDAARO CCCSc1ncc(CN2CC[NH2+][C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000072165490 216053948 /nfs/dbraw/zinc/05/39/48/216053948.db2.gz YSSHFBBKWONXCG-OAHLLOKOSA-N 1 0 349.504 1.375 50 0 EDAARO C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccccc2OCC(=O)[O-])CC1 ZINC000072167557 216057203 /nfs/dbraw/zinc/05/72/03/216057203.db2.gz YWCCVAHRXFKTMD-SFHVURJKSA-N 1 0 336.432 1.429 50 0 EDAARO COc1cccc([C@@H]2C[N@H+](CCCC(N)=O)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072172973 216063798 /nfs/dbraw/zinc/06/37/98/216063798.db2.gz SBKMSLRLZSNKAF-DFQSSKMNSA-N 1 0 343.471 1.823 50 0 EDAARO C[C@@H](Cn1cccn1)[NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000072267734 216087682 /nfs/dbraw/zinc/08/76/82/216087682.db2.gz FFXBTADRZZSZFE-DLBZAZTESA-N 1 0 341.459 1.504 50 0 EDAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCCC2)C1CC1 ZINC000072287734 216120397 /nfs/dbraw/zinc/12/03/97/216120397.db2.gz GRBDDGRHPMDNJS-KRWDZBQOSA-N 1 0 329.444 1.960 50 0 EDAARO c1csc(-c2nc(CNc3ncnc4c3CC[NH2+]CC4)no2)c1 ZINC000072421034 216208727 /nfs/dbraw/zinc/20/87/27/216208727.db2.gz YRPHRJDWNZXARO-UHFFFAOYSA-N 1 0 328.401 1.888 50 0 EDAARO c1[nH]nc2c1CN(c1nc(-c3ccccn3)nc3c1CC[NH2+]CC3)CC2 ZINC000072421005 216209257 /nfs/dbraw/zinc/20/92/57/216209257.db2.gz LKRAHPJWISQRTR-UHFFFAOYSA-N 1 0 347.426 1.513 50 0 EDAARO CC(C)=CC[N@@H+]1CCN(c2nnnn2-c2ccccc2)C[C@@H]1CCO ZINC000072434364 216229767 /nfs/dbraw/zinc/22/97/67/216229767.db2.gz JBYDOKCDZSAGMQ-KRWDZBQOSA-N 1 0 342.447 1.502 50 0 EDAARO CN(Cc1cccc2cnccc21)c1nc(N)nc2c1CC[NH2+]CC2 ZINC000072456947 216242548 /nfs/dbraw/zinc/24/25/48/216242548.db2.gz XPRDLWSIFSHKQM-UHFFFAOYSA-N 1 0 334.427 1.932 50 0 EDAARO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC000072475796 216253466 /nfs/dbraw/zinc/25/34/66/216253466.db2.gz WGILDPPHAAJXPD-HNNXBMFYSA-N 1 0 329.444 1.636 50 0 EDAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072478454 216257499 /nfs/dbraw/zinc/25/74/99/216257499.db2.gz CZIDSHTYYVKBKC-IBGZPJMESA-N 1 0 334.460 1.529 50 0 EDAARO CN1CC[NH+](CC2CCN(C(=O)c3cc(C4CC4)on3)CC2)CC1 ZINC000193974761 240384433 /nfs/dbraw/zinc/38/44/33/240384433.db2.gz AILZQQQUIFFACM-UHFFFAOYSA-N 1 0 332.448 1.652 50 0 EDAARO COCc1nc(NCc2cn3c(n2)SCC3)cc(C2CC([NH3+])C2)n1 ZINC000219326823 241379987 /nfs/dbraw/zinc/37/99/87/241379987.db2.gz DAXMNHBGLJPNJM-UHFFFAOYSA-N 1 0 346.460 1.742 50 0 EDAARO C[C@@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000229366307 242158979 /nfs/dbraw/zinc/15/89/79/242158979.db2.gz RJXPLZHJJPDQOP-QWHCGFSZSA-N 1 0 336.461 1.805 50 0 EDAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)n1 ZINC000229479465 242169722 /nfs/dbraw/zinc/16/97/22/242169722.db2.gz MQJSMHGLJJXUCH-NVXWUHKLSA-N 1 0 327.432 1.834 50 0 EDAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000230167371 242242142 /nfs/dbraw/zinc/24/21/42/242242142.db2.gz WGZSTFRURJUZTH-BZUAXINKSA-N 1 0 336.480 1.417 50 0 EDAARO C[C@@H]1CN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000020939077 212192266 /nfs/dbraw/zinc/19/22/66/212192266.db2.gz HIHHEVCPQVCIIZ-SOLBZPMBSA-N 1 0 331.460 1.486 50 0 EDAARO COCCn1c(CN(C)Cc2cccc(O)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244673996 243052910 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CCc1cnc(N)nc1N1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000091877198 218082907 /nfs/dbraw/zinc/08/29/07/218082907.db2.gz STRJMUKTKLXRBB-CQSZACIVSA-N 1 0 332.496 1.474 50 0 EDAARO CCc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCOC)C2)cs1 ZINC000091965448 218096342 /nfs/dbraw/zinc/09/63/42/218096342.db2.gz CRPBKOYAEUFNTK-HUUCEWRRSA-N 1 0 340.489 1.569 50 0 EDAARO CCn1cnc2c1ncnc2NCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000408518700 250299481 /nfs/dbraw/zinc/29/94/81/250299481.db2.gz VOIUEISPKXNRHH-UHFFFAOYSA-N 1 0 345.451 1.058 50 0 EDAARO CCc1[nH+]c(N)nc(N2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)c1C ZINC000095374499 218307988 /nfs/dbraw/zinc/30/79/88/218307988.db2.gz MVUWHDFZZZOAHX-AWEZNQCLSA-N 1 0 347.463 1.584 50 0 EDAARO c1cn(CCC[NH2+]C2CCN(c3ncnc4ccsc43)CC2)nn1 ZINC000095371508 218304214 /nfs/dbraw/zinc/30/42/14/218304214.db2.gz TZXFLQFUHPAWEH-UHFFFAOYSA-N 1 0 343.460 1.932 50 0 EDAARO Cc1cnn(CC[NH2+]Cc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000095373366 218306785 /nfs/dbraw/zinc/30/67/85/218306785.db2.gz 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[NH3+]C[C@@H](NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000095432128 295243987 /nfs/dbraw/zinc/24/39/87/295243987.db2.gz BOXSCZQAFRTHEW-SNVBAGLBSA-N 1 0 326.315 1.860 50 0 EDAARO CC1CCN(S(=O)(=O)NCc2ccccc2C[NH+](C)C)CC1 ZINC000044306177 440833753 /nfs/dbraw/zinc/83/37/53/440833753.db2.gz XVBDOMRWUYKUJL-UHFFFAOYSA-N 1 0 325.478 1.815 50 0 EDAARO C[NH+](C)CCCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002312796 440860195 /nfs/dbraw/zinc/86/01/95/440860195.db2.gz VFCPCMUQBRRXDK-UHFFFAOYSA-N 1 0 332.429 1.817 50 0 EDAARO COC(=O)N1Cc2sc3nc(C)cc(C)[n+]3c2CN1C(=O)OC ZINC000000510175 440828442 /nfs/dbraw/zinc/82/84/42/440828442.db2.gz OPEKMMNIVZWJMI-UHFFFAOYSA-N 1 0 337.381 1.564 50 0 EDAARO O=C(CN1C(=O)COc2ccccc21)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044934342 440913281 /nfs/dbraw/zinc/91/32/81/440913281.db2.gz ZXZJAIFBLRYVFK-ZDUSSCGKSA-N 1 0 329.400 1.013 50 0 EDAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000002828216 440878937 /nfs/dbraw/zinc/87/89/37/440878937.db2.gz 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C[C@@H](CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1)[NH+](C)C ZINC000071186201 441142239 /nfs/dbraw/zinc/14/22/39/441142239.db2.gz FTHSFFFDYMSKHS-LBPRGKRZSA-N 1 0 330.388 1.138 50 0 EDAARO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(N)=O)C2)cc1 ZINC000071278675 441142856 /nfs/dbraw/zinc/14/28/56/441142856.db2.gz GZQGMMRNXVUCMG-HNNXBMFYSA-N 1 0 331.460 1.798 50 0 EDAARO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1Br ZINC000071310288 441144605 /nfs/dbraw/zinc/14/46/05/441144605.db2.gz ZKYYJJAKVOBVBK-VIFPVBQESA-N 1 0 337.214 1.571 50 0 EDAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000012858714 441146508 /nfs/dbraw/zinc/14/65/08/441146508.db2.gz XQCKARNORFEFQW-UHFFFAOYSA-N 1 0 336.399 1.654 50 0 EDAARO C[C@H](CNc1nc(N(C)C)nc2c1CC[NH2+]C2)Oc1cccnc1 ZINC000071552196 441147417 /nfs/dbraw/zinc/14/74/17/441147417.db2.gz ISXZXEWARJOEOK-GFCCVEGCSA-N 1 0 328.420 1.463 50 0 EDAARO COc1cc(C[NH2+]Cc2ccc(OCC(N)=O)cc2)cc2c1OCO2 ZINC000071837056 441164888 /nfs/dbraw/zinc/16/48/88/441164888.db2.gz 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COc1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000071886796 441185099 /nfs/dbraw/zinc/18/50/99/441185099.db2.gz PKJBHNKIBVBQQQ-OAHLLOKOSA-N 1 0 346.431 1.506 50 0 EDAARO CCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(F)cc3F)CN2C1=O ZINC000014742351 441188166 /nfs/dbraw/zinc/18/81/66/441188166.db2.gz HNDYVRCHOYWIMS-QEJZJMRPSA-N 1 0 337.370 1.322 50 0 EDAARO COc1c(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c(C)nn1C ZINC000058393379 441189204 /nfs/dbraw/zinc/18/92/04/441189204.db2.gz IHQBKAOAWIXCRB-UHFFFAOYSA-N 1 0 334.395 1.704 50 0 EDAARO CC(C)[C@@H]1C[N@H+](CCC(N)=O)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071752840 441151608 /nfs/dbraw/zinc/15/16/08/441151608.db2.gz YRZNMMKXSXXCOB-INIZCTEOSA-N 1 0 335.423 1.760 50 0 EDAARO CN(Cc1cccnc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000071752760 441152045 /nfs/dbraw/zinc/15/20/45/441152045.db2.gz CPWXQOSNIVJSGJ-KRWDZBQOSA-N 1 0 330.476 1.846 50 0 EDAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000071760657 441152403 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C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC(CCO)CC1 ZINC000072270378 441214733 /nfs/dbraw/zinc/21/47/33/441214733.db2.gz GNXAVDKGRFOWKP-CQSZACIVSA-N 1 0 333.432 1.495 50 0 EDAARO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)o1 ZINC000047681744 441219447 /nfs/dbraw/zinc/21/94/47/441219447.db2.gz FFIWQUVYIAXEHU-LBPRGKRZSA-N 1 0 328.434 1.286 50 0 EDAARO O=C(NCCCn1cncn1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000047777754 441226020 /nfs/dbraw/zinc/22/60/20/441226020.db2.gz SSHRYNNLRHHYEH-HNNXBMFYSA-N 1 0 346.435 1.788 50 0 EDAARO COc1ccc(C)cc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000072300528 441226955 /nfs/dbraw/zinc/22/69/55/441226955.db2.gz CUDXWXWPIJCNRF-DZGCQCFKSA-N 1 0 326.462 1.763 50 0 EDAARO C[N@@H+]1CCN(CCNC(=O)Nc2nncs2)[C@H](c2ccccc2)C1 ZINC000048333334 441294581 /nfs/dbraw/zinc/29/45/81/441294581.db2.gz HNBBTRNXXXCTLN-AWEZNQCLSA-N 1 0 346.460 1.648 50 0 EDAARO O=C(NCC[NH+]1CCCC1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000048333421 441294852 /nfs/dbraw/zinc/29/48/52/441294852.db2.gz OGIGNOLEOTWAOH-UHFFFAOYSA-N 1 0 328.416 1.377 50 0 EDAARO COC[C@H](C)[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000060816665 441259068 /nfs/dbraw/zinc/25/90/68/441259068.db2.gz GPADEQSGVZKSDE-AWEZNQCLSA-N 1 0 336.432 1.821 50 0 EDAARO CCc1noc([C@H](C)NC(=O)[C@H]2C[NH2+]CCN2c2ccccc2)n1 ZINC000020863459 441267301 /nfs/dbraw/zinc/26/73/01/441267301.db2.gz DDCPMYJCZAYLPB-GXTWGEPZSA-N 1 0 329.404 1.288 50 0 EDAARO CS[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000081466929 441273282 /nfs/dbraw/zinc/27/32/82/441273282.db2.gz NJTIYJDUPXBTIP-HZPDHXFCSA-N 1 0 348.516 1.994 50 0 EDAARO Nc1nccnc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061636147 441283365 /nfs/dbraw/zinc/28/33/65/441283365.db2.gz SQZZCIIBFLWYJX-UHFFFAOYSA-N 1 0 331.445 1.762 50 0 EDAARO C[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCO1 ZINC000061880284 441292097 /nfs/dbraw/zinc/29/20/97/441292097.db2.gz PMXNQOTWXLSPRR-GDBMZVCRSA-N 1 0 347.463 1.200 50 0 EDAARO CCCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000024858779 441322944 /nfs/dbraw/zinc/32/29/44/441322944.db2.gz HDEYHIHLHIMVGK-OAHLLOKOSA-N 1 0 331.460 1.930 50 0 EDAARO C[N@@H+](Cc1ccsc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024960622 441324903 /nfs/dbraw/zinc/32/49/03/441324903.db2.gz HBYZYTCXIZHNDE-CYBMUJFWSA-N 1 0 330.409 1.837 50 0 EDAARO CC(C)C[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C ZINC000024975650 441325776 /nfs/dbraw/zinc/32/57/76/441325776.db2.gz PAXLGJVGUAKOBI-ZDUSSCGKSA-N 1 0 342.465 1.432 50 0 EDAARO CC(C)C[N@@H+]1CCN(c2cc(NC3CC3)nc(N)n2)C[C@H]1CCO ZINC000106258387 441330324 /nfs/dbraw/zinc/33/03/24/441330324.db2.gz HABQOMHCHBXUET-CQSZACIVSA-N 1 0 334.468 1.162 50 0 EDAARO CCn1cnc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000048371794 441300409 /nfs/dbraw/zinc/30/04/09/441300409.db2.gz CUEZBFKMPLVUKQ-UHFFFAOYSA-N 1 0 329.408 1.479 50 0 EDAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000063194280 441317644 /nfs/dbraw/zinc/31/76/44/441317644.db2.gz HMSKOBBOXVFYBW-ONGXEEELSA-N 1 0 326.447 1.582 50 0 EDAARO C[C@@H]1CN(CCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000106669526 441363277 /nfs/dbraw/zinc/36/32/77/441363277.db2.gz LNUUACOLXLYYLI-OAGGEKHMSA-N 1 0 338.496 1.412 50 0 EDAARO Cc1ccc([C@@H](C)NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)cc1C ZINC000106787526 441371410 /nfs/dbraw/zinc/37/14/10/441371410.db2.gz OEONNMTWTYKWAZ-AEFFLSMTSA-N 1 0 333.476 1.743 50 0 EDAARO CC(C)N1C(=O)N[C@@]2(CC[N@H+](CCc3ccc4c(c3)CCO4)C2)C1=O ZINC000084597371 441409346 /nfs/dbraw/zinc/40/93/46/441409346.db2.gz QYUFYOZTWGFKJM-LJQANCHMSA-N 1 0 343.427 1.569 50 0 EDAARO CN(CCOc1ccccc1)C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065380224 441420720 /nfs/dbraw/zinc/42/07/20/441420720.db2.gz CIEXXTNAZNAZFC-HNNXBMFYSA-N 1 0 343.431 1.429 50 0 EDAARO C[NH+]1CCC2(CCN(C(=O)CN3CCOc4ccccc4C3)C2)CC1 ZINC000065374234 441421173 /nfs/dbraw/zinc/42/11/73/441421173.db2.gz NHSMWNWOEOXFKR-UHFFFAOYSA-N 1 0 343.471 1.825 50 0 EDAARO C[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)C[C@@]12CCNC(=O)CC2 ZINC000107677471 441423674 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CN1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2F)CC1 ZINC000095397205 218329221 /nfs/dbraw/zinc/32/92/21/218329221.db2.gz QPPBABHCDLIJNO-HNNXBMFYSA-N 1 0 348.466 1.601 50 0 EDAARO CCS[C@H]1CC[C@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000095416696 218355948 /nfs/dbraw/zinc/35/59/48/218355948.db2.gz ZIUFRCGEGFNYNZ-HOTGVXAUSA-N 1 0 335.521 1.992 50 0 EDAARO CS[C@H]1CCCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000095443486 218387902 /nfs/dbraw/zinc/38/79/02/218387902.db2.gz DXGHUYNJFVOMES-INIZCTEOSA-N 1 0 342.553 1.940 50 0 EDAARO O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)c1cc[n+]([O-])cc1 ZINC000095971583 218476665 /nfs/dbraw/zinc/47/66/65/218476665.db2.gz DHZZKWIPDPUKSM-MRXNPFEDSA-N 1 0 341.367 1.481 50 0 EDAARO O=C(NCCNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1Cl ZINC000096153637 218629335 /nfs/dbraw/zinc/62/93/35/218629335.db2.gz UYIKOGTZVFFBTO-ZDUSSCGKSA-N 1 0 335.835 1.576 50 0 EDAARO C[C@H]1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C[C@H](C)[NH2+]1 ZINC000153356762 224092324 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CCOc1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1OCC ZINC000261636296 257943792 /nfs/dbraw/zinc/94/37/92/257943792.db2.gz IFHFTACAPKEWTD-LBPRGKRZSA-N 1 0 328.434 1.596 50 0 EDAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000299742260 258008853 /nfs/dbraw/zinc/00/88/53/258008853.db2.gz AXADWCMROJOPHU-IUODEOHRSA-N 1 0 342.465 1.125 50 0 EDAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000299738656 258010008 /nfs/dbraw/zinc/01/00/08/258010008.db2.gz DRZCMVILKZPZIY-UHTWSYAYSA-N 1 0 340.807 1.388 50 0 EDAARO O=C(CCCn1cnnn1)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299779737 258088847 /nfs/dbraw/zinc/08/88/47/258088847.db2.gz VEGHUECVTRJXSD-INIZCTEOSA-N 1 0 346.410 1.546 50 0 EDAARO C[N@@H+]1C[C@H](NC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)C[C@H]1CO ZINC000299782805 258091251 /nfs/dbraw/zinc/09/12/51/258091251.db2.gz DWGCZTHGCPUGJA-OLZOCXBDSA-N 1 0 349.822 1.712 50 0 EDAARO C[NH+](C)[C@H]1CCN(CC(=O)NCc2ccc3c(c2)OCCCO3)C1 ZINC000299784698 258092380 /nfs/dbraw/zinc/09/23/80/258092380.db2.gz PECYLTUMSMSICE-HNNXBMFYSA-N 1 0 333.432 1.100 50 0 EDAARO C[N@@H+]1CCOC[C@@H](CNC(=O)Nc2cccc(-c3cc[nH]n3)c2)C1 ZINC000299786077 258092998 /nfs/dbraw/zinc/09/29/98/258092998.db2.gz QZMOBAFJEOMWIZ-ZDUSSCGKSA-N 1 0 329.404 1.776 50 0 EDAARO Nc1n[nH]c(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299790010 258096070 /nfs/dbraw/zinc/09/60/70/258096070.db2.gz BMASSUGSDBELCF-MJBXVCDLSA-N 1 0 326.404 1.229 50 0 EDAARO CN1CC[C@H]([N@H+](C)CCC(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC000299793890 258098398 /nfs/dbraw/zinc/09/83/98/258098398.db2.gz HLRIVYYQMKNKJZ-KRWDZBQOSA-N 1 0 346.475 1.067 50 0 EDAARO COCCOc1ccc(C[NH2+]Cc2cnc3n[nH]c(C)c3c2)cn1 ZINC000089568207 258065992 /nfs/dbraw/zinc/06/59/92/258065992.db2.gz TYCQUPBFZXZNDO-UHFFFAOYSA-N 1 0 327.388 1.976 50 0 EDAARO Cn1ncc(-c2ccccc2)c1NC(=O)NC[C@H]1COCC[N@H+](C)C1 ZINC000299762758 258079224 /nfs/dbraw/zinc/07/92/24/258079224.db2.gz YUGRDUCTFZUODC-CQSZACIVSA-N 1 0 343.431 1.787 50 0 EDAARO C[C@@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000045846459 132421847 /nfs/dbraw/zinc/42/18/47/132421847.db2.gz WJCZLZNHBSTHTG-GASCZTMLSA-N 1 0 347.463 1.152 50 0 EDAARO C[NH+]1CCC(CNc2ncnc3ccc(S(C)(=O)=O)cc32)CC1 ZINC000240321584 262539460 /nfs/dbraw/zinc/53/94/60/262539460.db2.gz FANUOSLEFSWNAC-UHFFFAOYSA-N 1 0 334.445 1.787 50 0 EDAARO CC(C)c1cc(N[C@H]2CN(C(=O)C3([NH3+])CC3)C[C@@H]2C(C)C)ncn1 ZINC000091365316 275731450 /nfs/dbraw/zinc/73/14/50/275731450.db2.gz PPHLXLCHULMKND-HIFRSBDPSA-N 1 0 331.464 1.986 50 0 EDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000068712178 276185037 /nfs/dbraw/zinc/18/50/37/276185037.db2.gz WNZDADCBAXOPKV-AWEZNQCLSA-N 1 0 342.443 1.846 50 0 EDAARO CC(=O)N[C@H](C)CC(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082109575 277052958 /nfs/dbraw/zinc/05/29/58/277052958.db2.gz YKNVRDKQGOCMNF-CQSZACIVSA-N 1 0 349.479 1.276 50 0 EDAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccccc1-c1ncc[nH]1 ZINC000067694827 279598045 /nfs/dbraw/zinc/59/80/45/279598045.db2.gz LUKDSBVTIUOYFQ-WFASDCNBSA-N 1 0 341.415 1.143 50 0 EDAARO CC[C@H]1CN(CCC(=O)NC2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000106869449 281166011 /nfs/dbraw/zinc/16/60/11/281166011.db2.gz RXZAGOOCKXJCHB-RDJZCZTQSA-N 1 0 325.497 1.602 50 0 EDAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000072300172 288313440 /nfs/dbraw/zinc/31/34/40/288313440.db2.gz ZDPMDABIWHUEAZ-JKSUJKDBSA-N 1 0 336.457 1.964 50 0 EDAARO Cc1ccn(-c2ccc(N3CCC[C@H](C[NH+]4CCOCC4)C3)nn2)n1 ZINC000084248000 281421224 /nfs/dbraw/zinc/42/12/24/281421224.db2.gz FUCKVRLVBJQMGL-MRXNPFEDSA-N 1 0 342.447 1.519 50 0 EDAARO COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCC[NH+](C)C)CC1=O ZINC000045164857 295145287 /nfs/dbraw/zinc/14/52/87/295145287.db2.gz OCTNZCYQIGTCMD-NSHDSACASA-N 1 0 339.823 1.379 50 0 EDAARO CSCCCN1C(=O)CC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21 ZINC000072476050 295594963 /nfs/dbraw/zinc/59/49/63/295594963.db2.gz IELRCMJSMDHHJG-QWHCGFSZSA-N 1 0 325.478 1.070 50 0 EDAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)N1CCC(O)(c2ccccc2)CC1 ZINC000426361817 447425272 /nfs/dbraw/zinc/42/52/72/447425272.db2.gz RBPRVMSZBOXFRB-QGZVFWFLSA-N 1 0 329.444 1.774 50 0 EDAARO O=C1Nc2ncccc2O[C@H]1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000001395266 440843003 /nfs/dbraw/zinc/84/30/03/440843003.db2.gz SLKFPBRHJBZLFQ-KRWDZBQOSA-N 1 0 338.411 1.993 50 0 EDAARO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1C(N)=O ZINC000044937462 440914801 /nfs/dbraw/zinc/91/48/01/440914801.db2.gz ZFLONXQTYKCBQX-ZDUSSCGKSA-N 1 0 339.461 1.247 50 0 EDAARO CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044942031 440917762 /nfs/dbraw/zinc/91/77/62/440917762.db2.gz ARXGJHOUZVTSEY-HUUCEWRRSA-N 1 0 336.457 1.837 50 0 EDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cn2cncn2)cc1 ZINC000044941964 440918224 /nfs/dbraw/zinc/91/82/24/440918224.db2.gz XOXDDEUWPINWPC-DLBZAZTESA-N 1 0 325.416 1.683 50 0 EDAARO CN(CC(C)(C)NS(=O)(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000003178776 440889291 /nfs/dbraw/zinc/88/92/91/440889291.db2.gz 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