smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(O)[C@H]1CC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000721868664 751467131 /nfs/dbraw/zinc/46/71/31/751467131.db2.gz HYTFGPFOUQYXHR-STQMWFEESA-N 1 0 332.400 0.736 10 0 ECAERO CN(CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C(=O)c1cccs1 ZINC000116787670 282136862 /nfs/dbraw/zinc/13/68/62/282136862.db2.gz JIXAGXFWZNOCEY-LBPRGKRZSA-N 1 0 325.434 0.609 10 0 ECAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)C1 ZINC000133007222 530044611 /nfs/dbraw/zinc/04/46/11/530044611.db2.gz RGGOCWWGEZXTBV-CHWSQXEVSA-N 1 0 325.434 0.564 10 0 ECAERO C[C@H](C[NH3+])NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000104210876 219360528 /nfs/dbraw/zinc/36/05/28/219360528.db2.gz CVCPBBUKVNLEEY-SSDOTTSWSA-N 1 0 326.827 0.369 10 0 ECAERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000261725319 283077546 /nfs/dbraw/zinc/07/75/46/283077546.db2.gz MGEQVYVTOWHNBE-UHFFFAOYSA-N 1 0 344.437 0.739 10 0 ECAERO Cc1ccc(NC(=O)C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000188633289 236624044 /nfs/dbraw/zinc/62/40/44/236624044.db2.gz COBXBAAZNNZYRH-CQSZACIVSA-N 1 0 348.447 0.880 10 0 ECAERO O[C@@H]1C[C@H](c2ccc(N3CCOCC3)nc2)[C@@H]([NH2+]CC2CC2)[C@@H]1O ZINC000077262012 202392038 /nfs/dbraw/zinc/39/20/38/202392038.db2.gz DCTAGMAMPRGWKX-JOCBIADPSA-N 1 0 333.432 0.496 10 0 ECAERO CCOC(=O)C1CCC(O)(C[NH+]2CCN(CC(C)(C)O)CC2)CC1 ZINC000191443692 201052383 /nfs/dbraw/zinc/05/23/83/201052383.db2.gz OLLOUYKHFCHHRD-UHFFFAOYSA-N 1 0 342.480 0.859 10 0 ECAERO C[C@@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)N(C)C(=O)OC(C)(C)C ZINC000282893373 201330460 /nfs/dbraw/zinc/33/04/60/201330460.db2.gz TUSYIBFADFDRMN-NSHDSACASA-N 1 0 340.424 0.429 10 0 ECAERO C[NH2+]CC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000193132289 240033471 /nfs/dbraw/zinc/03/34/71/240033471.db2.gz SHFZLWJQSHVKFP-UHFFFAOYSA-N 1 0 344.213 0.116 10 0 ECAERO CC1CCC(NS(=O)(=O)CC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000193574087 240218593 /nfs/dbraw/zinc/21/85/93/240218593.db2.gz CCRSEZXARQCUBI-HHTDUIENSA-N 1 0 331.482 0.741 10 0 ECAERO O=C1N(CCc2ccccc2)CCC[C@]12CC[N@@H+](C(CO)CO)C2 ZINC000072423631 203220583 /nfs/dbraw/zinc/22/05/83/203220583.db2.gz CPZSDTJKRZVRML-LJQANCHMSA-N 1 0 332.444 0.897 10 0 ECAERO C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262396383 244956861 /nfs/dbraw/zinc/95/68/61/244956861.db2.gz NPFLSAZXKWGXMW-SNVBAGLBSA-N 1 0 336.440 0.771 10 0 ECAERO Cc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1S(=O)(=O)NC1CC1 ZINC000262521918 245014561 /nfs/dbraw/zinc/01/45/61/245014561.db2.gz NZDMOWYDSIJQEV-STQMWFEESA-N 1 0 339.417 0.097 10 0 ECAERO CN1CCO[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000104784279 204119117 /nfs/dbraw/zinc/11/91/17/204119117.db2.gz IVMPATUHCPCNKB-KRWDZBQOSA-N 1 0 347.463 0.676 10 0 ECAERO CN(c1cccnn1)C1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000105807043 204163120 /nfs/dbraw/zinc/16/31/20/204163120.db2.gz YILDSYWBLPYOLF-UHFFFAOYSA-N 1 0 346.435 0.708 10 0 ECAERO CCNC(=O)CC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894390 204178262 /nfs/dbraw/zinc/17/82/62/204178262.db2.gz LVWJFWQQVFCBTD-MRXNPFEDSA-N 1 0 335.448 0.570 10 0 ECAERO CN(CCCNC(=O)CN1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000105923828 204179922 /nfs/dbraw/zinc/17/99/22/204179922.db2.gz JSGBNKORNCFEML-SFHVURJKSA-N 1 0 348.491 0.892 10 0 ECAERO CCC[C@H](C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC000126144146 205042261 /nfs/dbraw/zinc/04/22/61/205042261.db2.gz CDUJFOLXZVBWMW-CQSZACIVSA-N 1 0 333.436 0.559 10 0 ECAERO C[C@H]1CN(C2CCN(S(=O)(=O)C[C@H]3CCCO3)CC2)CCO1 ZINC000245198703 205113866 /nfs/dbraw/zinc/11/38/66/205113866.db2.gz SBDKKEWJSDHHMU-DZGCQCFKSA-N 1 0 332.466 0.680 10 0 ECAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000158774175 206210327 /nfs/dbraw/zinc/21/03/27/206210327.db2.gz HQVZSTNDVBSDIZ-PWSUYJOCSA-N 1 0 343.378 0.932 10 0 ECAERO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248895161 206293042 /nfs/dbraw/zinc/29/30/42/206293042.db2.gz XMTNKLFYWBANHJ-DCAQKATOSA-N 1 0 331.463 0.672 10 0 ECAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000249036393 206328040 /nfs/dbraw/zinc/32/80/40/206328040.db2.gz MTABABKFIICJQE-HRCADAONSA-N 1 0 335.448 0.554 10 0 ECAERO C[C@@H]1C(=O)NCCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249036875 296260182 /nfs/dbraw/zinc/26/01/82/296260182.db2.gz MNWRYKZWUDFKRS-GDBMZVCRSA-N 1 0 332.448 0.616 10 0 ECAERO COCCNC(=O)c1ccc(N2CC[N@H+](CCOC)[C@@H](C)C2)nc1 ZINC000174735063 207051095 /nfs/dbraw/zinc/05/10/95/207051095.db2.gz JAHPYVDIYVWASF-AWEZNQCLSA-N 1 0 336.436 0.615 10 0 ECAERO C[NH+](C)CC(=O)N1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000175759415 207156422 /nfs/dbraw/zinc/15/64/22/207156422.db2.gz QNRKPHYUTNQWSV-KRWDZBQOSA-N 1 0 335.448 0.270 10 0 ECAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000177009643 207283534 /nfs/dbraw/zinc/28/35/34/207283534.db2.gz KALNCHHXLFCQEB-GFCCVEGCSA-N 1 0 331.424 0.732 10 0 ECAERO C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@@H]1N1CCOCC1 ZINC000177265770 207313023 /nfs/dbraw/zinc/31/30/23/207313023.db2.gz IRQGMHXJSAXZMT-OCCSQVGLSA-N 1 0 334.445 0.909 10 0 ECAERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2F)CCO1 ZINC000177676247 207374970 /nfs/dbraw/zinc/37/49/70/207374970.db2.gz HUGKNRPAMZQTLO-VIFPVBQESA-N 1 0 345.321 0.831 10 0 ECAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000069411701 285231173 /nfs/dbraw/zinc/23/11/73/285231173.db2.gz IDEOXZBWOMVZTR-CQSZACIVSA-N 1 0 346.497 0.489 10 0 ECAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000177701601 285241273 /nfs/dbraw/zinc/24/12/73/285241273.db2.gz LXXBAWDWCMBZCH-RRFJBIMHSA-N 1 0 345.509 0.437 10 0 ECAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000117399410 221061277 /nfs/dbraw/zinc/06/12/77/221061277.db2.gz BVFGEQOLOCFMDZ-MRXNPFEDSA-N 1 0 340.468 0.165 10 0 ECAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C12CCOCC2 ZINC000186431516 286284068 /nfs/dbraw/zinc/28/40/68/286284068.db2.gz MRANXKQVSALEFM-RRFJBIMHSA-N 1 0 346.493 0.832 10 0 ECAERO CCc1noc([C@H](C)N2CCN(C(=O)C3([NH3+])CCOCC3)CC2)n1 ZINC000261794623 296744316 /nfs/dbraw/zinc/74/43/16/296744316.db2.gz ILBRZUCEMBMNQU-LBPRGKRZSA-N 1 0 337.424 0.345 10 0 ECAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000190681524 165024474 /nfs/dbraw/zinc/02/44/74/165024474.db2.gz KFUJKJYEKDAHDL-ZDUSSCGKSA-N 1 0 346.431 0.732 10 0 ECAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)C(=O)NCC3CC3)CC2)nc1 ZINC000191851530 165037394 /nfs/dbraw/zinc/03/73/94/165037394.db2.gz RGXAYROPAAPKGS-UHFFFAOYSA-N 1 0 345.447 0.318 10 0 ECAERO CN1C(=O)N(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C(=O)C12CCCCC2 ZINC000195318094 165079317 /nfs/dbraw/zinc/07/93/17/165079317.db2.gz NTPUMSMVICRKDH-CQSZACIVSA-N 1 0 348.447 0.890 10 0 ECAERO O=C(CCNS(=O)(=O)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195311109 165079640 /nfs/dbraw/zinc/07/96/40/165079640.db2.gz HXYSGJYPHHCLMT-CQSZACIVSA-N 1 0 337.445 0.662 10 0 ECAERO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)ncn1 ZINC000245684059 165113743 /nfs/dbraw/zinc/11/37/43/165113743.db2.gz GUDNIDYYNKPAQP-KGLIPLIRSA-N 1 0 347.467 0.881 10 0 ECAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC000245707513 165113796 /nfs/dbraw/zinc/11/37/96/165113796.db2.gz MSDVRJHWNYDIRN-NWANDNLSSA-N 1 0 325.453 0.499 10 0 ECAERO CC[N@H+](C)[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000245682399 165114323 /nfs/dbraw/zinc/11/43/23/165114323.db2.gz LGMVLLJNNVOZNB-SJORKVTESA-N 1 0 335.448 0.489 10 0 ECAERO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245941205 165117806 /nfs/dbraw/zinc/11/78/06/165117806.db2.gz TUIIPKOMXFVGDM-GZNJTBKBSA-N 1 0 335.448 0.565 10 0 ECAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000246274939 165128917 /nfs/dbraw/zinc/12/89/17/165128917.db2.gz SFWPCTGLUWVXPM-NEPJUHHUSA-N 1 0 341.433 0.934 10 0 ECAERO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CN(C)CCO2)C[C@H](C)O1 ZINC000246351490 165131067 /nfs/dbraw/zinc/13/10/67/165131067.db2.gz DAGLKHUDLZQCCM-ZNMIVQPWSA-N 1 0 328.457 0.116 10 0 ECAERO COc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246353863 165131112 /nfs/dbraw/zinc/13/11/12/165131112.db2.gz GDLZQDHLZVDMNA-NVXWUHKLSA-N 1 0 347.459 0.964 10 0 ECAERO CC(C)NS(=O)(=O)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247045400 165152686 /nfs/dbraw/zinc/15/26/86/165152686.db2.gz IDXSQIHLUFTFHT-QWHCGFSZSA-N 1 0 334.486 0.342 10 0 ECAERO COc1ccccc1CNC(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247050245 165154073 /nfs/dbraw/zinc/15/40/73/165154073.db2.gz FGDHJONVRFNWHG-CABCVRRESA-N 1 0 335.448 0.698 10 0 ECAERO C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC[C@H]1O ZINC000247140388 165155287 /nfs/dbraw/zinc/15/52/87/165155287.db2.gz XDYPXLIPEVXORS-HEHGZKQESA-N 1 0 332.400 0.736 10 0 ECAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN([C@H](C)C(=O)N(C)C)CC2)C1 ZINC000247172474 165155958 /nfs/dbraw/zinc/15/59/58/165155958.db2.gz NBCRESNLDARTIN-CVEARBPZSA-N 1 0 326.485 0.190 10 0 ECAERO CCOC(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247407923 165160277 /nfs/dbraw/zinc/16/02/77/165160277.db2.gz PXCWMJGFJNMILI-CABCVRRESA-N 1 0 338.452 0.456 10 0 ECAERO CC1(C)CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000261655690 165223111 /nfs/dbraw/zinc/22/31/11/165223111.db2.gz FKXZNVOAKKANQC-CYBMUJFWSA-N 1 0 340.449 0.332 10 0 ECAERO COCC1(CNC(=O)Cc2nc3nc(C)cc(C)n3n2)CC[NH2+]CC1 ZINC000261660137 165223274 /nfs/dbraw/zinc/22/32/74/165223274.db2.gz FCBOFDOLCNUIPM-UHFFFAOYSA-N 1 0 346.435 0.416 10 0 ECAERO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cnc21 ZINC000261800388 165245578 /nfs/dbraw/zinc/24/55/78/165245578.db2.gz LSLBXXGDSBPUFR-QWRGUYRKSA-N 1 0 345.403 0.716 10 0 ECAERO CC(C)NS(=O)(=O)c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261803162 165245675 /nfs/dbraw/zinc/24/56/75/165245675.db2.gz VBILYATWKVTFFN-UHFFFAOYSA-N 1 0 341.433 0.820 10 0 ECAERO COC(=O)CNC(=O)c1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261848420 165252225 /nfs/dbraw/zinc/25/22/25/165252225.db2.gz AYWUTSNHHLAPJC-UHFFFAOYSA-N 1 0 349.387 0.283 10 0 ECAERO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261920184 165261976 /nfs/dbraw/zinc/26/19/76/165261976.db2.gz XNQIOEMMWHVSON-JTQLQIEISA-N 1 0 344.437 0.252 10 0 ECAERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261929444 165263884 /nfs/dbraw/zinc/26/38/84/165263884.db2.gz ZQWKHRNSGWLUPT-LBPRGKRZSA-N 1 0 327.406 0.616 10 0 ECAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000262029792 165278722 /nfs/dbraw/zinc/27/87/22/165278722.db2.gz GUQPUAQVIDYKCI-CMPLNLGQSA-N 1 0 325.331 0.002 10 0 ECAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1sccc1S(=O)(=O)C(F)F ZINC000262072839 165285602 /nfs/dbraw/zinc/28/56/02/165285602.db2.gz BVOZVYYSCHVNGK-NKWVEPMBSA-N 1 0 340.373 0.055 10 0 ECAERO COc1ccc(-c2noc(CCC(=O)NC[C@H]3C[NH2+]C[C@@H]3O)n2)cc1 ZINC000262137008 165298385 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0 ECAERO C[NH+](C)C[C@H](NC(=O)NCCC(=O)N1CCOCC1)c1ccccc1 ZINC000048216592 436443966 /nfs/dbraw/zinc/44/39/66/436443966.db2.gz RGBPQAXYJUGOJO-INIZCTEOSA-N 1 0 348.447 0.837 10 0 ECAERO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091637058 436457482 /nfs/dbraw/zinc/45/74/82/436457482.db2.gz TYNILADZPZXWKM-UHFFFAOYSA-N 1 0 344.459 0.788 10 0 ECAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3cnn(C)c3)CC2)C1 ZINC000105818105 436579808 /nfs/dbraw/zinc/57/98/08/436579808.db2.gz LIPHPUNRCDYMPO-INIZCTEOSA-N 1 0 335.452 0.287 10 0 ECAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)[C@H](C)N1CCOCC1 ZINC000105301256 436572208 /nfs/dbraw/zinc/57/22/08/436572208.db2.gz APNDDACESZFPIQ-JYJNAYRXSA-N 1 0 342.484 0.242 10 0 ECAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC000105818156 436580655 /nfs/dbraw/zinc/58/06/55/436580655.db2.gz HEZROPCNQKSEGB-MRXNPFEDSA-N 1 0 335.452 0.137 10 0 ECAERO CC(C)NC(=O)CN1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845530 436581495 /nfs/dbraw/zinc/58/14/95/436581495.db2.gz INIUQJYXFNUKAI-INIZCTEOSA-N 1 0 326.485 0.238 10 0 ECAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC000105868295 436582585 /nfs/dbraw/zinc/58/25/85/436582585.db2.gz KFBSNVSKYCKJNX-HNNXBMFYSA-N 1 0 348.447 0.654 10 0 ECAERO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883976 436584904 /nfs/dbraw/zinc/58/49/04/436584904.db2.gz NVDNAMVRUIAAIM-KBPBESRZSA-N 1 0 348.451 0.116 10 0 ECAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCNS(C)(=O)=O ZINC000106904442 436605912 /nfs/dbraw/zinc/60/59/12/436605912.db2.gz UIWFJRUXRCVMTR-CQSZACIVSA-N 1 0 327.450 0.215 10 0 ECAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000112548943 436633392 /nfs/dbraw/zinc/63/33/92/436633392.db2.gz CNUDBNSDSKYMOC-QWHCGFSZSA-N 1 0 332.404 0.280 10 0 ECAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000113269183 436636686 /nfs/dbraw/zinc/63/66/86/436636686.db2.gz FRGRBMKXOFOLFX-GDBMZVCRSA-N 1 0 334.464 0.236 10 0 ECAERO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113444778 436637963 /nfs/dbraw/zinc/63/79/63/436637963.db2.gz GCPNJMAJGGTQSF-GXFFZTMASA-N 1 0 343.435 0.561 10 0 ECAERO CN(C)S(=O)(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114496105 436642518 /nfs/dbraw/zinc/64/25/18/436642518.db2.gz OIYGPLPXGTYLRI-UHFFFAOYSA-N 1 0 327.454 0.072 10 0 ECAERO CC[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)CCN1CCOC ZINC000150727350 436687410 /nfs/dbraw/zinc/68/74/10/436687410.db2.gz CKDQYYJDIPOYOZ-OAHLLOKOSA-N 1 0 338.452 0.985 10 0 ECAERO CCCCOC[C@@H](O)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000195188086 436682190 /nfs/dbraw/zinc/68/21/90/436682190.db2.gz HJAKQTDJONHGJI-HNNXBMFYSA-N 1 0 336.498 0.910 10 0 ECAERO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)n2ncnc2n1 ZINC000237808759 436745816 /nfs/dbraw/zinc/74/58/16/436745816.db2.gz NEWNZXPCUDUYAQ-ZIAGYGMSSA-N 1 0 343.435 0.599 10 0 ECAERO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CNC(=O)C1 ZINC000125077998 436762448 /nfs/dbraw/zinc/76/24/48/436762448.db2.gz FJUOKJJFXGIVHB-JKSUJKDBSA-N 1 0 331.416 0.396 10 0 ECAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)Nc3cccnn3)CC2)C1 ZINC000152053900 436718254 /nfs/dbraw/zinc/71/82/54/436718254.db2.gz RPZSOWZEHWUENY-HNNXBMFYSA-N 1 0 348.451 0.735 10 0 ECAERO COCCc1cc(NC(=O)N2CCN(CCOC)[C@H](C)C2)n(C)n1 ZINC000128078214 436811370 /nfs/dbraw/zinc/81/13/70/436811370.db2.gz DWPBXMQLXBVJRN-CYBMUJFWSA-N 1 0 339.440 0.793 10 0 ECAERO CN1CCO[C@@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000246351430 436777399 /nfs/dbraw/zinc/77/73/99/436777399.db2.gz DABLBSKTDKNMBE-SJORKVTESA-N 1 0 334.464 0.789 10 0 ECAERO CCC(=O)N1CC[C@H](C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)C1 ZINC000246372120 436778529 /nfs/dbraw/zinc/77/85/29/436778529.db2.gz HPSBXHUMKRSDQX-QLFBSQMISA-N 1 0 325.453 0.549 10 0 ECAERO C[C@@H]([NH3+])[C@@H]1CN(c2ncc(I)cn2)CCO1 ZINC000126285967 436784693 /nfs/dbraw/zinc/78/46/93/436784693.db2.gz NOLRCASKAOWUFY-APPZFPTMSA-N 1 0 334.161 0.634 10 0 ECAERO CC[C@H]1CN(C(=O)N[C@H](C)CN2CCCC2=O)CC[N@@H+]1CCOC ZINC000247243126 436792195 /nfs/dbraw/zinc/79/21/95/436792195.db2.gz XBMCKCYXQQZMOD-CABCVRRESA-N 1 0 340.468 0.750 10 0 ECAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000128929125 436822157 /nfs/dbraw/zinc/82/21/57/436822157.db2.gz RYOPKOMCVDAZCC-GFCCVEGCSA-N 1 0 332.404 0.923 10 0 ECAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCN1C(=O)CCC1=O ZINC000155694509 436799894 /nfs/dbraw/zinc/79/98/94/436799894.db2.gz PQFDPCNZIVCBSS-CQSZACIVSA-N 1 0 338.452 0.945 10 0 ECAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255283591 436851023 /nfs/dbraw/zinc/85/10/23/436851023.db2.gz MUCMBRIPITVBKM-AZJURWTESA-N 1 0 346.431 0.182 10 0 ECAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159340921 436856454 /nfs/dbraw/zinc/85/64/54/436856454.db2.gz QDIKZRIWHUXXMH-HNNXBMFYSA-N 1 0 348.495 0.945 10 0 ECAERO CC[C@H]1CN(C(=O)CNC(=O)c2cccnc2)CC[N@@H+]1C[C@@H](C)O ZINC000163403461 436921796 /nfs/dbraw/zinc/92/17/96/436921796.db2.gz OQRKQQNPICBLDD-HIFRSBDPSA-N 1 0 334.420 0.115 10 0 ECAERO COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)n2)c[nH]1 ZINC000262357664 436926360 /nfs/dbraw/zinc/92/63/60/436926360.db2.gz IDKPBYYOOZIRIS-IUCAKERBSA-N 1 0 336.373 0.586 10 0 ECAERO CN1CC[NH2+]C[C@@H]1c1noc(Cn2cc(-c3ccccc3)nn2)n1 ZINC000263304184 436961989 /nfs/dbraw/zinc/96/19/89/436961989.db2.gz XNLUXBRMSXIJDP-CQSZACIVSA-N 1 0 325.376 0.953 10 0 ECAERO O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000263327811 436962664 /nfs/dbraw/zinc/96/26/64/436962664.db2.gz UAINXCOXWLKJDK-UHFFFAOYSA-N 1 0 346.431 0.183 10 0 ECAERO CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000263376501 436963305 /nfs/dbraw/zinc/96/33/05/436963305.db2.gz BZZJNQYSKQWUEU-UHFFFAOYSA-N 1 0 338.452 0.804 10 0 ECAERO CCCc1cc(=O)n2nc(N3CCO[C@H](C[NH+](C)C)C3)sc2n1 ZINC000170999895 436964433 /nfs/dbraw/zinc/96/44/33/436964433.db2.gz RZDKALRSPTWGDI-GFCCVEGCSA-N 1 0 337.449 0.870 10 0 ECAERO Cc1nc2c(cnn2C)c(N2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000168800573 436942399 /nfs/dbraw/zinc/94/23/99/436942399.db2.gz RVCGDZIIYLXXJM-ZDUSSCGKSA-N 1 0 343.435 0.462 10 0 ECAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000263138864 436951536 /nfs/dbraw/zinc/95/15/36/436951536.db2.gz CDKLEMZDZJWEGY-XPTSAGLGSA-N 1 0 325.775 0.730 10 0 ECAERO CN1CC[NH2+]C[C@@H]1c1noc(Cn2cnc3sccc3c2=O)n1 ZINC000263216943 436955161 /nfs/dbraw/zinc/95/51/61/436955161.db2.gz LADFXDFNCZUQLE-SNVBAGLBSA-N 1 0 332.389 0.465 10 0 ECAERO Cn1c2ccccc2n(CCc2nc([C@H]3C[NH2+]CCN3C)no2)c1=O ZINC000263218317 436955676 /nfs/dbraw/zinc/95/56/76/436955676.db2.gz LIERHZJRIKITCB-CQSZACIVSA-N 1 0 342.403 0.542 10 0 ECAERO CNS(=O)(=O)c1cccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263228064 436956299 /nfs/dbraw/zinc/95/62/99/436956299.db2.gz NBDIICIHPHORJX-GFCCVEGCSA-N 1 0 337.405 0.221 10 0 ECAERO CN1CC[NH2+]C[C@H]1c1noc(CNC(=O)COc2ccccc2)n1 ZINC000263245712 436957142 /nfs/dbraw/zinc/95/71/42/436957142.db2.gz PFWQYLDKNXAABF-ZDUSSCGKSA-N 1 0 331.376 0.341 10 0 ECAERO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170844717 436957513 /nfs/dbraw/zinc/95/75/13/436957513.db2.gz UBYLJHUWAJQDSF-AWEZNQCLSA-N 1 0 346.431 0.798 10 0 ECAERO Cc1cnn(CC2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000263245179 436957674 /nfs/dbraw/zinc/95/76/74/436957674.db2.gz MQAKCVIHCMCNBJ-INIZCTEOSA-N 1 0 335.452 0.530 10 0 ECAERO CNC(=O)c1cncc(/C=C/c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263275120 436958699 /nfs/dbraw/zinc/95/86/99/436958699.db2.gz SRVAUPWUMDTJNH-ITDFMYJTSA-N 1 0 328.376 0.571 10 0 ECAERO CC(C)NC(=O)Cc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000263259844 436959524 /nfs/dbraw/zinc/95/95/24/436959524.db2.gz SGBNQMIJXJJXJP-KRWDZBQOSA-N 1 0 348.447 0.792 10 0 ECAERO CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])COC ZINC000263266678 436959598 /nfs/dbraw/zinc/95/95/98/436959598.db2.gz VJEHOJBRDNHMCY-GFCCVEGCSA-N 1 0 337.376 0.219 10 0 ECAERO CN1CCO[C@H](CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000172462692 437016548 /nfs/dbraw/zinc/01/65/48/437016548.db2.gz DSKPFIXJPJZKBO-MRXNPFEDSA-N 1 0 340.468 0.071 10 0 ECAERO COC[C@@H](O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000171973361 436993835 /nfs/dbraw/zinc/99/38/35/436993835.db2.gz KFHRFUZERIAZDF-SFHVURJKSA-N 1 0 330.432 0.997 10 0 ECAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000172245471 437005329 /nfs/dbraw/zinc/00/53/29/437005329.db2.gz OIWMMWSONPYHGB-HUUCEWRRSA-N 1 0 337.468 0.029 10 0 ECAERO C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173970894 437071949 /nfs/dbraw/zinc/07/19/49/437071949.db2.gz OBOAEYQUEYAJNC-ZBFHGGJFSA-N 1 0 331.416 0.596 10 0 ECAERO O=C(NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000299741353 437108532 /nfs/dbraw/zinc/10/85/32/437108532.db2.gz FGBCJVYPCNKIHT-GHMZBOCLSA-N 1 0 340.309 0.881 10 0 ECAERO COCc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n2ncnc2n1 ZINC000301296729 437117540 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CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)ncn1 ZINC000183216700 437378474 /nfs/dbraw/zinc/37/84/74/437378474.db2.gz DBSBUMNGVMQHNC-CHWSQXEVSA-N 1 0 341.481 0.900 10 0 ECAERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC(=O)NCC1CC1 ZINC000183778497 437391938 /nfs/dbraw/zinc/39/19/38/437391938.db2.gz ZUGVOFZFLOAZBS-CQSZACIVSA-N 1 0 326.441 0.265 10 0 ECAERO CN1CC[NH+](CCC(C)(C)NC(=O)NCC(=O)NCC2CC2)CC1 ZINC000185634237 437445946 /nfs/dbraw/zinc/44/59/46/437445946.db2.gz XWRHBDFXPGIQAL-UHFFFAOYSA-N 1 0 339.484 0.228 10 0 ECAERO COCC(=O)NC1CN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000188535004 437553107 /nfs/dbraw/zinc/55/31/07/437553107.db2.gz RJWJZJWWIMWURS-ZDUSSCGKSA-N 1 0 326.441 0.263 10 0 ECAERO CCOC(=O)C1CCC(O)(C[N@H+](C)CCN2CCOCC2)CC1 ZINC000190861906 437641028 /nfs/dbraw/zinc/64/10/28/437641028.db2.gz KVCJCXHONOJMPJ-UHFFFAOYSA-N 1 0 328.453 0.735 10 0 ECAERO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000423955633 437868497 /nfs/dbraw/zinc/86/84/97/437868497.db2.gz 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CCc1noc([C@@H](C)N2CC[NH+](CCCC(=O)NC(N)=O)CC2)n1 ZINC000171591541 206723240 /nfs/dbraw/zinc/72/32/40/206723240.db2.gz OUMZJRVHGNWJDG-LLVKDONJSA-N 1 0 338.412 0.286 10 0 ECAERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2F)CCO1 ZINC000177676234 207374147 /nfs/dbraw/zinc/37/41/47/207374147.db2.gz HUGKNRPAMZQTLO-SECBINFHSA-N 1 0 345.321 0.831 10 0 ECAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000245469545 285241129 /nfs/dbraw/zinc/24/11/29/285241129.db2.gz LXXBAWDWCMBZCH-ZNMIVQPWSA-N 1 0 345.509 0.437 10 0 ECAERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000118858801 221197614 /nfs/dbraw/zinc/19/76/14/221197614.db2.gz VCRIIBQDWPQBMO-HOTGVXAUSA-N 1 0 326.412 0.954 10 0 ECAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)NC)CC2)C12CCOCC2 ZINC000186239207 286488658 /nfs/dbraw/zinc/48/86/58/286488658.db2.gz XHRUKWSDXJRHDJ-CVEARBPZSA-N 1 0 339.480 0.761 10 0 ECAERO CC(C)NS(=O)(=O)CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171668574 164833495 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CC[C@H]1CN(C(=O)Nc2cnn(CCOC)c2)CC[N@@H+]1C[C@H](C)O ZINC000247503078 165162102 /nfs/dbraw/zinc/16/21/02/165162102.db2.gz LWOOWINFNXSGNY-ZFWWWQNUSA-N 1 0 339.440 0.838 10 0 ECAERO COCC(=O)NC1CN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249397955 165197768 /nfs/dbraw/zinc/19/77/68/165197768.db2.gz BLGQWKUVZLCNSE-OLZOCXBDSA-N 1 0 326.441 0.263 10 0 ECAERO C[NH2+][C@@H](C)CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C ZINC000261699355 165229817 /nfs/dbraw/zinc/22/98/17/165229817.db2.gz JAWXESKVHKLMPT-NSHDSACASA-N 1 0 325.434 0.773 10 0 ECAERO CN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261718377 165230555 /nfs/dbraw/zinc/23/05/55/165230555.db2.gz JDSMRVVLHBRWBF-MSOLQXFVSA-N 1 0 346.475 0.773 10 0 ECAERO COc1ccnc(N2CCC(C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)n1 ZINC000261731561 165233614 /nfs/dbraw/zinc/23/36/14/165233614.db2.gz CWPBBIPLFIQIGE-KRWDZBQOSA-N 1 0 333.436 0.899 10 0 ECAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000261860615 165254144 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O=C(CCN1CCCC[C@H]1c1nnc2n1CCCC2)N1CC[NH2+]CC1 ZINC000262202201 436915647 /nfs/dbraw/zinc/91/56/47/436915647.db2.gz SILPGQWYJFTFMC-HNNXBMFYSA-N 1 0 346.479 0.963 10 0 ECAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(N3CCN(C)C(=O)C3)ncn2)C1 ZINC000274823755 436880017 /nfs/dbraw/zinc/88/00/17/436880017.db2.gz BZCUGXDZHFLBGB-ZIAGYGMSSA-N 1 0 332.452 0.896 10 0 ECAERO CCCN(CCC)S(=O)(=O)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261796086 436889156 /nfs/dbraw/zinc/88/91/56/436889156.db2.gz GPCVSURLBKGKQD-INIZCTEOSA-N 1 0 346.541 0.970 10 0 ECAERO [NH3+]C1(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)CCOCC1 ZINC000261910574 436896897 /nfs/dbraw/zinc/89/68/97/436896897.db2.gz SYRKUUJJPAYNCB-UHFFFAOYSA-N 1 0 331.416 0.869 10 0 ECAERO CNS(=O)(=O)c1csc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263317233 436962138 /nfs/dbraw/zinc/96/21/38/436962138.db2.gz ZRDLTWKFLCQNKV-SECBINFHSA-N 1 0 343.434 0.282 10 0 ECAERO C[C@@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)N1CC[NH+](C)CC1 ZINC000171137068 436970928 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C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000170844906 436956253 /nfs/dbraw/zinc/95/62/53/436956253.db2.gz PLPKLEIVFBCJER-ZDUSSCGKSA-N 1 0 330.388 0.672 10 0 ECAERO CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000263238706 436957329 /nfs/dbraw/zinc/95/73/29/436957329.db2.gz NKGDVPCMMMWKGE-DGLGBPBLSA-N 1 0 338.452 0.706 10 0 ECAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2c[nH]c(C(=O)N3CCCC3)c2)n1 ZINC000263295484 436960773 /nfs/dbraw/zinc/96/07/73/436960773.db2.gz WGNZNFSGEYLBIA-CYBMUJFWSA-N 1 0 330.392 0.877 10 0 ECAERO C[C@H](NC(=O)COc1ccccc1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263292671 436961208 /nfs/dbraw/zinc/96/12/08/436961208.db2.gz VXVJPWPNSAXEPB-JSGCOSHPSA-N 1 0 345.403 0.902 10 0 ECAERO CS(=O)(=O)N1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171905546 436992260 /nfs/dbraw/zinc/99/22/60/436992260.db2.gz BDGAEXUTSBMRBE-CQSZACIVSA-N 1 0 344.481 0.148 10 0 ECAERO C[NH+](C)C[C@H]1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000172196065 437002216 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CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1F ZINC000177462209 437185129 /nfs/dbraw/zinc/18/51/29/437185129.db2.gz BVYWHIPWSYLERZ-LLVKDONJSA-N 1 0 329.397 0.510 10 0 ECAERO O=C(Nc1ccc2c(c1)NC(=O)CC2)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177684670 437196347 /nfs/dbraw/zinc/19/63/47/437196347.db2.gz CKLQTAAHWYZTBE-CQSZACIVSA-N 1 0 342.399 0.816 10 0 ECAERO CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000180396687 437288422 /nfs/dbraw/zinc/28/84/22/437288422.db2.gz YHVUICARUMNUIW-OLZOCXBDSA-N 1 0 332.470 0.194 10 0 ECAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180595394 437296688 /nfs/dbraw/zinc/29/66/88/437296688.db2.gz LMOBSIGLWBRNMP-WCQYABFASA-N 1 0 335.433 0.852 10 0 ECAERO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CNC(=O)C1 ZINC000182286372 437344589 /nfs/dbraw/zinc/34/45/89/437344589.db2.gz FPMGQCHSKXFSJL-INIZCTEOSA-N 1 0 345.443 0.956 10 0 ECAERO CC(C)[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)C(N)=O ZINC000184683774 437409107 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ECAERO C[NH2+][C@@H](CCCNC(=[NH2+])NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000584604991 439605476 /nfs/dbraw/zinc/60/54/76/439605476.db2.gz JOZPJVUYVQQWCK-LBPRGKRZSA-N 1 0 342.421 0.250 10 0 ECAERO CNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000185054522 320535859 /nfs/dbraw/zinc/53/58/59/320535859.db2.gz NTDCZDLBRPFUKG-GLQYFDAESA-N 1 0 337.445 0.712 10 0 ECAERO CC(C)CN1CCN(S(=O)(=O)CC[NH+]2CCCC2)[C@H](C)C1=O ZINC000330107155 320805092 /nfs/dbraw/zinc/80/50/92/320805092.db2.gz LUWOTXSVYKILSJ-CQSZACIVSA-N 1 0 331.482 0.601 10 0 ECAERO O=C(NCCc1ccc(F)c(Br)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000152487595 534454301 /nfs/dbraw/zinc/45/43/01/534454301.db2.gz PMZKXWBTYQGTAB-SKDRFNHKSA-N 1 0 331.185 0.970 10 0 ECAERO O=C(Cn1cnnn1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174855757 534760028 /nfs/dbraw/zinc/76/00/28/534760028.db2.gz RQEAKQSVOAYNTP-MRXNPFEDSA-N 1 0 344.419 0.235 10 0 ECAERO CC(=O)N(CCc1ccccc1)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000153618858 526488486 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O[C@H]1C[NH2+]C[C@H]1CNCc1cnc2ccc(Br)cn12 ZINC000263116755 545948984 /nfs/dbraw/zinc/94/89/84/545948984.db2.gz AQLHHXSTFQYPRR-SKDRFNHKSA-N 1 0 325.210 0.767 10 0 ECAERO CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCc3nnc(C)o3)ncn2)C1 ZINC000685942853 549728772 /nfs/dbraw/zinc/72/87/72/549728772.db2.gz RQSHYNRMKRJHFI-STQMWFEESA-N 1 0 347.423 0.935 10 0 ECAERO COCCN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H]2n2cccn2)cn1 ZINC000888076152 586245549 /nfs/dbraw/zinc/24/55/49/586245549.db2.gz BETGNUDPAHOXIQ-ZMSDIMECSA-N 1 0 331.420 0.825 10 0 ECAERO Cc1[nH]nc2ncc(CN3C[C@@H]([NH+](C)C)[C@@H](n4ccnn4)C3)cc12 ZINC000888094466 586349016 /nfs/dbraw/zinc/34/90/16/586349016.db2.gz SKPHNAMTAWWCHN-CABCVRRESA-N 1 0 326.408 0.845 10 0 ECAERO Cc1noc(CCC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)n1 ZINC000888095368 586349322 /nfs/dbraw/zinc/34/93/22/586349322.db2.gz XQXHOVHARQNSCR-KFZJALRRSA-N 1 0 336.436 0.907 10 0 ECAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](NC(=O)OC)C(C)C)CC1 ZINC000108463021 589325693 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331.482 0.080 10 0 ECAERO Cc1oc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1S(N)(=O)=O ZINC000088654504 436403190 /nfs/dbraw/zinc/40/31/90/436403190.db2.gz BJUPCQILFCFAKB-LLVKDONJSA-N 1 0 331.438 0.942 10 0 ECAERO CC(C)NC(=O)CN1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845527 436581204 /nfs/dbraw/zinc/58/12/04/436581204.db2.gz INIUQJYXFNUKAI-MRXNPFEDSA-N 1 0 326.485 0.238 10 0 ECAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000105896926 436587183 /nfs/dbraw/zinc/58/71/83/436587183.db2.gz YYHJEJCPQLCGHN-MRXNPFEDSA-N 1 0 347.463 0.773 10 0 ECAERO COCCOC[C@]1(C[NH2+]Cc2cccc(OC)c2)C[C@@H](O)[C@@H](O)C1 ZINC000107283901 436610669 /nfs/dbraw/zinc/61/06/69/436610669.db2.gz ZKSOVXJXUBRTKS-BCDXTJNWSA-N 1 0 339.432 0.950 10 0 ECAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111685970 436631330 /nfs/dbraw/zinc/63/13/30/436631330.db2.gz JMMMFUBITSDSQK-HOCLYGCPSA-N 1 0 339.480 0.842 10 0 ECAERO CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000111686599 436632070 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QMVYBHITOCMIRT-VXGBXAGGSA-N 1 0 328.438 0.673 10 0 ECAERO CC(C)C(=O)NCCCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000121843212 436726022 /nfs/dbraw/zinc/72/60/22/436726022.db2.gz VEDQWOXWVDBGLR-LSDHHAIUSA-N 1 0 340.468 0.511 10 0 ECAERO C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000121976995 436730771 /nfs/dbraw/zinc/73/07/71/436730771.db2.gz DYWPXGZVJQWZOD-UONOGXRCSA-N 1 0 336.436 0.398 10 0 ECAERO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237650932 436741978 /nfs/dbraw/zinc/74/19/78/436741978.db2.gz INWGUZXZMYRQEW-BZUAXINKSA-N 1 0 336.480 0.659 10 0 ECAERO CC[C@@H]1CN(C(=O)[C@H](C)OC[C@H]2CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000246847280 436787154 /nfs/dbraw/zinc/78/71/54/436787154.db2.gz MSGGCXMJIUWNSI-QKPAOTATSA-N 1 0 328.453 0.874 10 0 ECAERO CCS(=O)(=O)N1CCC(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000155463550 436796804 /nfs/dbraw/zinc/79/68/04/436796804.db2.gz DHCGOEKCCUNCLA-ZFWWWQNUSA-N 1 0 345.509 0.893 10 0 ECAERO CNC(=O)c1cccc(CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000155750598 436802308 /nfs/dbraw/zinc/80/23/08/436802308.db2.gz SZEYODVHIYLBFV-MRXNPFEDSA-N 1 0 348.447 0.561 10 0 ECAERO CC[C@@H]1CN(C(=O)NC2CCN(C(C)=O)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248374252 436802668 /nfs/dbraw/zinc/80/26/68/436802668.db2.gz OYGSKEQPUFBIAH-XJKSGUPXSA-N 1 0 340.468 0.484 10 0 ECAERO Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000155915909 436804876 /nfs/dbraw/zinc/80/48/76/436804876.db2.gz YWFGFPXSIULAHN-QWHCGFSZSA-N 1 0 337.445 0.951 10 0 ECAERO Cc1nccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257191123 436859930 /nfs/dbraw/zinc/85/99/30/436859930.db2.gz PJJNIBYSXNHOKD-DLBZAZTESA-N 1 0 328.416 0.801 10 0 ECAERO COc1ccc(Cl)cc1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000129066077 436823701 /nfs/dbraw/zinc/82/37/01/436823701.db2.gz CAVXJGYUICZAET-CQSZACIVSA-N 1 0 342.823 0.700 10 0 ECAERO O=C(CSc1ccc(F)c(F)c1)NC[C@@H](O)CN1CCOCC1 ZINC000129073083 436824260 /nfs/dbraw/zinc/82/42/60/436824260.db2.gz NBYFUQIPYHHSQY-LLVKDONJSA-N 1 0 346.399 0.866 10 0 ECAERO CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1=O ZINC000157828120 436833866 /nfs/dbraw/zinc/83/38/66/436833866.db2.gz ODXGSJQQVHDLBI-CXAGYDPISA-N 1 0 338.452 0.944 10 0 ECAERO CN(C)c1nccc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261774105 436888221 /nfs/dbraw/zinc/88/82/21/436888221.db2.gz XGYZXUNEQNDXSG-UONOGXRCSA-N 1 0 332.452 0.627 10 0 ECAERO CCCNS(=O)(=O)c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261909370 436895760 /nfs/dbraw/zinc/89/57/60/436895760.db2.gz SVEJLJGIUALNSP-UHFFFAOYSA-N 1 0 341.433 0.821 10 0 ECAERO O=C(C[C@H]1CCC[NH2+]1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000168298939 436943524 /nfs/dbraw/zinc/94/35/24/436943524.db2.gz GZODZHUBMQBYKG-IAGOWNOFSA-N 1 0 347.459 0.713 10 0 ECAERO Cc1ccc2ncc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)c(=O)n2c1 ZINC000263190676 436953688 /nfs/dbraw/zinc/95/36/88/436953688.db2.gz HVGCFCJFAGPCCU-LBPRGKRZSA-N 1 0 326.360 0.629 10 0 ECAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc2c(c(Br)c1)OCO2 ZINC000263193722 436955913 /nfs/dbraw/zinc/95/59/13/436955913.db2.gz IFMIWEGAGXXNBZ-GXSJLCMTSA-N 1 0 329.194 0.848 10 0 ECAERO CCCS(=O)(=O)N1CCC[C@H]1c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263230809 436956765 /nfs/dbraw/zinc/95/67/65/436956765.db2.gz NJSRDCZOHWADCD-NWDGAFQWSA-N 1 0 343.453 0.522 10 0 ECAERO CNS(=O)(=O)c1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263269701 436959140 /nfs/dbraw/zinc/95/91/40/436959140.db2.gz SAZLHZJUIYCVLO-LBPRGKRZSA-N 1 0 337.405 0.221 10 0 ECAERO CN1CC[NH2+]C[C@H]1c1noc(CCOc2ccc(C(N)=O)cc2)n1 ZINC000263268799 436959403 /nfs/dbraw/zinc/95/94/03/436959403.db2.gz RWTDBIREMNIYMZ-ZDUSSCGKSA-N 1 0 331.376 0.366 10 0 ECAERO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170865491 436959402 /nfs/dbraw/zinc/95/94/02/436959402.db2.gz RVDLJTBVWVHZDP-LLVKDONJSA-N 1 0 343.424 0.900 10 0 ECAERO C[C@@H]1Oc2ccccc2N(Cc2nc([C@H]3C[NH2+]CCN3C)no2)C1=O ZINC000263289328 436960248 /nfs/dbraw/zinc/96/02/48/436960248.db2.gz VLXTVNNQWYSWPR-WCQYABFASA-N 1 0 343.387 0.960 10 0 ECAERO CN1CCO[C@@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000170921807 436960416 /nfs/dbraw/zinc/96/04/16/436960416.db2.gz WRTAYKVYPISWTL-KRWDZBQOSA-N 1 0 347.463 0.676 10 0 ECAERO O=C(NCCN1C(=O)c2ccccc2C1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903893 436991805 /nfs/dbraw/zinc/99/18/05/436991805.db2.gz MCWHPKMSHBXQHJ-CYBMUJFWSA-N 1 0 342.399 0.772 10 0 ECAERO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)CCC(=O)N2C)cn1 ZINC000262020213 302930734 /nfs/dbraw/zinc/93/07/34/302930734.db2.gz ORMUEQKNZWQOPN-OFQRWUPVSA-N 1 0 347.463 0.915 10 0 ECAERO CC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000174078519 437073484 /nfs/dbraw/zinc/07/34/84/437073484.db2.gz UQWKBJCFRQPPME-CQSZACIVSA-N 1 0 331.416 0.671 10 0 ECAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000176906728 437161475 /nfs/dbraw/zinc/16/14/75/437161475.db2.gz XJIRHXKDYVSKDP-AWEZNQCLSA-N 1 0 346.431 0.975 10 0 ECAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000176898638 437161717 /nfs/dbraw/zinc/16/17/17/437161717.db2.gz IWCOZJKSQCRCRH-OAHLLOKOSA-N 1 0 346.431 0.596 10 0 ECAERO C[C@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000177258737 437175284 /nfs/dbraw/zinc/17/52/84/437175284.db2.gz CTBMMGGKYCJYMQ-HOCLYGCPSA-N 1 0 335.452 0.031 10 0 ECAERO CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177282622 437175629 /nfs/dbraw/zinc/17/56/29/437175629.db2.gz QEPYIHPEFRPCMZ-HRCADAONSA-N 1 0 327.469 0.570 10 0 ECAERO O=C(Nc1cccc(-c2nnco2)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177698159 437196684 /nfs/dbraw/zinc/19/66/84/437196684.db2.gz ROTGWYBOKMZJNZ-CQSZACIVSA-N 1 0 341.371 0.982 10 0 ECAERO O=C(CCN1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)NCC(F)(F)F ZINC000177120500 437169683 /nfs/dbraw/zinc/16/96/83/437169683.db2.gz BCQJNVWSCMEVGS-NSHDSACASA-N 1 0 336.358 0.935 10 0 ECAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000180491746 437290781 /nfs/dbraw/zinc/29/07/81/437290781.db2.gz SNUBLHDVXDFARH-JSGCOSHPSA-N 1 0 327.450 0.576 10 0 ECAERO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000337287706 437347298 /nfs/dbraw/zinc/34/72/98/437347298.db2.gz LFRRFSFJKOQZGW-BBWFWOEESA-N 1 0 337.464 0.693 10 0 ECAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)CS(C)(=O)=O ZINC000181558075 437323609 /nfs/dbraw/zinc/32/36/09/437323609.db2.gz SDMSTFXHPGMNEW-QWRGUYRKSA-N 1 0 334.463 0.665 10 0 ECAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC000185148305 437427734 /nfs/dbraw/zinc/42/77/34/437427734.db2.gz ZZTBURWIMDZQBO-CVEARBPZSA-N 1 0 331.420 0.938 10 0 ECAERO COCC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000186315222 437469886 /nfs/dbraw/zinc/46/98/86/437469886.db2.gz KJTWXHXSLJBQAL-MRXNPFEDSA-N 1 0 345.443 0.872 10 0 ECAERO COCC(=O)NC1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000186318681 437470051 /nfs/dbraw/zinc/47/00/51/437470051.db2.gz IFPLJIQAIWRKMU-UHFFFAOYSA-N 1 0 331.416 0.869 10 0 ECAERO COCC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186317714 437470104 /nfs/dbraw/zinc/47/01/04/437470104.db2.gz FSDSKPAAYFCHOW-MRXNPFEDSA-N 1 0 331.416 0.624 10 0 ECAERO Cc1cnn(CCNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000185407999 437436260 /nfs/dbraw/zinc/43/62/60/437436260.db2.gz SLEBBNNUVCBTPV-UHFFFAOYSA-N 1 0 336.484 0.907 10 0 ECAERO COCC(=O)NC1CN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000185407690 437436703 /nfs/dbraw/zinc/43/67/03/437436703.db2.gz FYTATTHYUUVQTE-CQSZACIVSA-N 1 0 348.447 0.663 10 0 ECAERO CNC(=O)CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000187505512 437505985 /nfs/dbraw/zinc/50/59/85/437505985.db2.gz LRGPKCGNAQTWTC-MRXNPFEDSA-N 1 0 333.432 0.684 10 0 ECAERO Cc1cc(C)nc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000192921971 437698758 /nfs/dbraw/zinc/69/87/58/437698758.db2.gz PUXPXXRXTKXRLF-AWEZNQCLSA-N 1 0 334.420 0.600 10 0 ECAERO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)Cc2ccccc2F)nn1 ZINC000643618068 440223356 /nfs/dbraw/zinc/22/33/56/440223356.db2.gz ALYGTJVSXNCFNP-XJKSGUPXSA-N 1 0 347.394 0.778 10 0 ECAERO COC[C@@]1(C(=O)NCc2c(Br)cnn2C)CCC[NH2+]1 ZINC000638875371 440638165 /nfs/dbraw/zinc/63/81/65/440638165.db2.gz JVYKNNAPFQNBOC-GFCCVEGCSA-N 1 0 331.214 0.567 10 0 ECAERO O[C@H](C[NH2+][C@H]1CCOC[C@H]1O)COc1cccc(Br)c1 ZINC000629609808 440745359 /nfs/dbraw/zinc/74/53/59/440745359.db2.gz FFYGIEBAXIFXKW-KWCYVHTRSA-N 1 0 346.221 0.928 10 0 ECAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000355778409 321511964 /nfs/dbraw/zinc/51/19/64/321511964.db2.gz TZZFEMWWOSZILN-REWJHTLYSA-N 1 0 346.497 0.629 10 0 ECAERO CSC[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000187883234 533715578 /nfs/dbraw/zinc/71/55/78/533715578.db2.gz OBNRQQVEMDBWIM-HOTGVXAUSA-N 1 0 340.489 0.768 10 0 ECAERO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000174095581 529228969 /nfs/dbraw/zinc/22/89/69/529228969.db2.gz ATUVLGGXFSUXAR-CABCVRRESA-N 1 0 326.412 0.954 10 0 ECAERO CC[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000174627063 529363298 /nfs/dbraw/zinc/36/32/98/529363298.db2.gz AKAPMTKVQKREBY-CHWSQXEVSA-N 1 0 339.461 0.782 10 0 ECAERO CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000237060097 536106400 /nfs/dbraw/zinc/10/64/00/536106400.db2.gz PCVZEBUALIFYDK-OCCSQVGLSA-N 1 0 325.434 0.794 10 0 ECAERO O[C@]1(Cn2ccnn2)CC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000671491594 548160089 /nfs/dbraw/zinc/16/00/89/548160089.db2.gz CIJCXGRDCFTBEK-QGZVFWFLSA-N 1 0 328.420 0.910 10 0 ECAERO CN(CCNS(C)(=O)=O)C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000671563673 548186347 /nfs/dbraw/zinc/18/63/47/548186347.db2.gz ZIFNHRJWRXWXSB-DZGCQCFKSA-N 1 0 343.497 0.284 10 0 ECAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CCO[C@@H]1c1cc[nH]n1 ZINC000888077271 586245648 /nfs/dbraw/zinc/24/56/48/586245648.db2.gz YMTPWXGYPMGMQW-HOCLYGCPSA-N 1 0 346.435 0.908 10 0 ECAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cn(CC3CC3)nn1)C2 ZINC000888095024 586349095 /nfs/dbraw/zinc/34/90/95/586349095.db2.gz PLZHXKZXTCWDKQ-GFOCRRMGSA-N 1 0 347.463 0.898 10 0 ECAERO C[NH+](C)[C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)C[C@@H]1n1ccnn1 ZINC000862936460 589976441 /nfs/dbraw/zinc/97/64/41/589976441.db2.gz NPDWCICSESLUKW-OLZOCXBDSA-N 1 0 344.375 0.072 10 0 ECAERO Cn1cnnc1C[C@]1(O)CCC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000886088030 590793389 /nfs/dbraw/zinc/79/33/89/590793389.db2.gz ANNPHGJIUBHRLF-MRXNPFEDSA-N 1 0 327.392 0.608 10 0 ECAERO COc1c(C[NH2+]C[C@@H]2OCCN(C)[C@H]2c2ccnn2C)c(C)nn1C ZINC000886095535 590795523 /nfs/dbraw/zinc/79/55/23/590795523.db2.gz ZKILKCSQWCBZPT-HOTGVXAUSA-N 1 0 348.451 0.632 10 0 ECAERO O=S1(=O)CCC[C@@H]1CN1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000930528563 611440399 /nfs/dbraw/zinc/44/03/99/611440399.db2.gz LREFXQSFVZBRDZ-QWHCGFSZSA-N 1 0 335.433 0.793 10 0 ECAERO O=S1(=O)CCC[C@H]1CN1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000930528562 611440410 /nfs/dbraw/zinc/44/04/10/611440410.db2.gz LREFXQSFVZBRDZ-OLZOCXBDSA-N 1 0 335.433 0.793 10 0 ECAERO O=C(COCc1nc(-c2cccnc2)no1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222573202 609702072 /nfs/dbraw/zinc/70/20/72/609702072.db2.gz XKPQQPXGQLGJCU-CQSZACIVSA-N 1 0 343.387 0.859 10 0 ECAERO O=C(c1cccc(-n2cnnn2)c1)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223164582 609708320 /nfs/dbraw/zinc/70/83/20/609708320.db2.gz ZUVIMSDUNBUIPQ-ZDUSSCGKSA-N 1 0 340.387 0.793 10 0 ECAERO C[NH+](C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1ccsc1 ZINC000169781292 609745686 /nfs/dbraw/zinc/74/56/86/609745686.db2.gz WMSZHPUNQBPMQH-VXGBXAGGSA-N 1 0 331.463 0.300 10 0 ECAERO Cn1cccc1C(=O)N[C@@H]1CN(C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169790923 609746949 /nfs/dbraw/zinc/74/69/49/609746949.db2.gz CJNBKWBKGOGEGY-GDBMZVCRSA-N 1 0 334.464 0.796 10 0 ECAERO O=C(CN1CSCCSC1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000911418405 609865592 /nfs/dbraw/zinc/86/55/92/609865592.db2.gz NFQBBDCDSMQAED-MCIONIFRSA-N 1 0 345.534 0.787 10 0 ECAERO C[NH+](C)C[C@@H]1CN(CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)CCO1 ZINC000193313627 612216101 /nfs/dbraw/zinc/21/61/01/612216101.db2.gz GJAFNYKUPCBBRB-WBMJQRKESA-N 1 0 326.441 0.563 10 0 ECAERO COCC[N@@H+]1CCN(CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)C[C@@H]1C ZINC000193311600 612216189 /nfs/dbraw/zinc/21/61/89/612216189.db2.gz FFFWDQDJFBYYFU-GUYCJALGSA-N 1 0 340.468 0.953 10 0 ECAERO CCCC[C@@H]1NC(=O)N(CN2CC[N@H+](CCOC)[C@@H](C)C2)C1=O ZINC000247096860 612793510 /nfs/dbraw/zinc/79/35/10/612793510.db2.gz MHEQIYBPRHQFOM-KBPBESRZSA-N 1 0 326.441 0.707 10 0 ECAERO CNC(=O)c1nn(CN2CC[N@@H+]3CCC[C@H]3C2)c(=O)c2ccccc21 ZINC000247065295 612756788 /nfs/dbraw/zinc/75/67/88/612756788.db2.gz MINOMVBZPJUHOB-ZDUSSCGKSA-N 1 0 341.415 0.494 10 0 ECAERO COCC[N@@H+]1CCN(CN2C(=O)N[C@H](CC(C)C)C2=O)C[C@H]1C ZINC000247109274 612805208 /nfs/dbraw/zinc/80/52/08/612805208.db2.gz NDXONDJCQMPDOC-ZIAGYGMSSA-N 1 0 326.441 0.563 10 0 ECAERO Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173839675 231048658 /nfs/dbraw/zinc/04/86/58/231048658.db2.gz DKDPIGKYJCKESZ-SMDDNHRTSA-N 1 0 334.420 0.399 10 0 ECAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(=O)n(CCOC)n1 ZINC000174963562 529406725 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ZINC000246165007 165125272 /nfs/dbraw/zinc/12/52/72/165125272.db2.gz MCWXMVHDARNHNV-HZPDHXFCSA-N 1 0 349.479 0.944 10 0 ECAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000246220424 165126850 /nfs/dbraw/zinc/12/68/50/165126850.db2.gz HQVZSTNDVBSDIZ-CMPLNLGQSA-N 1 0 343.378 0.932 10 0 ECAERO C[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@H]1N1CCOCC1 ZINC000246464801 165135004 /nfs/dbraw/zinc/13/50/04/165135004.db2.gz NRBCSZOFFXYQIM-GOEBONIOSA-N 1 0 346.431 0.987 10 0 ECAERO CC[C@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246963024 165147182 /nfs/dbraw/zinc/14/71/82/165147182.db2.gz STJYAFOKTLMYKP-BBRMVZONSA-N 1 0 348.447 0.772 10 0 ECAERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)NC(=O)NC2CC2)C[C@@H]1CC ZINC000247043093 165149701 /nfs/dbraw/zinc/14/97/01/165149701.db2.gz DXBJGSIXNDIYNB-HIFRSBDPSA-N 1 0 340.468 0.796 10 0 ECAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000246991975 165151207 /nfs/dbraw/zinc/15/12/07/165151207.db2.gz PGMHXRGEUFHWQW-RYUDHWBXSA-N 1 0 345.407 0.873 10 0 ECAERO CC(C)CCOCCNC(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247214965 165156426 /nfs/dbraw/zinc/15/64/26/165156426.db2.gz PZHXAEVILOICGQ-HOTGVXAUSA-N 1 0 329.485 0.552 10 0 ECAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC000247315857 165157868 /nfs/dbraw/zinc/15/78/68/165157868.db2.gz MEHIRHBDHHMVHF-UKRRQHHQSA-N 1 0 348.451 0.507 10 0 ECAERO COCCN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C[C@H]1C ZINC000247258734 165157917 /nfs/dbraw/zinc/15/79/17/165157917.db2.gz YJHGAWNEITWKAB-HZPDHXFCSA-N 1 0 342.484 0.459 10 0 ECAERO CO[C@@H](C)CC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247376384 165160259 /nfs/dbraw/zinc/16/02/59/165160259.db2.gz VJHUYSGHODDLEH-HOTGVXAUSA-N 1 0 327.469 0.665 10 0 ECAERO C[S@](=O)Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248392246 165173806 /nfs/dbraw/zinc/17/38/06/165173806.db2.gz FCSYQZNRHCMDJN-BSEYFRJRSA-N 1 0 349.456 0.810 10 0 ECAERO COc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1-n1cnnn1 ZINC000248438623 165174640 /nfs/dbraw/zinc/17/46/40/165174640.db2.gz HXZITVDSZHGCQY-JSGCOSHPSA-N 1 0 342.403 0.980 10 0 ECAERO C[C@@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)N1CCOCC1 ZINC000248860666 165188482 /nfs/dbraw/zinc/18/84/82/165188482.db2.gz DINONVKTZOIQEI-ARFHVFGLSA-N 1 0 342.484 0.506 10 0 ECAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000249164787 165193911 /nfs/dbraw/zinc/19/39/11/165193911.db2.gz JZEPOZBIJYTGJA-GJZGRUSLSA-N 1 0 349.435 0.553 10 0 ECAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000261641763 165221508 /nfs/dbraw/zinc/22/15/08/165221508.db2.gz DJCDZEUBFFBBKS-LBPRGKRZSA-N 1 0 341.433 0.045 10 0 ECAERO [NH3+][C@H](C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)C1CCOCC1 ZINC000261660670 165223001 /nfs/dbraw/zinc/22/30/01/165223001.db2.gz FSCZQMBHUGSCMW-SFHVURJKSA-N 1 0 345.443 0.654 10 0 ECAERO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)C1([NH3+])CCOCC1 ZINC000261680992 165226558 /nfs/dbraw/zinc/22/65/58/165226558.db2.gz CODYYGVHKWXYQI-UHFFFAOYSA-N 1 0 333.392 0.003 10 0 ECAERO C[NH2+][C@@H](C)CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000261694894 165229329 /nfs/dbraw/zinc/22/93/29/165229329.db2.gz ITHKSNPLYICNCH-VIFPVBQESA-N 1 0 335.376 0.357 10 0 ECAERO [NH3+]C1(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)CCOCC1 ZINC000261753044 165237393 /nfs/dbraw/zinc/23/73/93/165237393.db2.gz FIIXHNWKFLLEPG-UHFFFAOYSA-N 1 0 343.387 0.435 10 0 ECAERO C[C@@]1(c2ccc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cc2)NC(=O)NC1=O ZINC000261769734 165240142 /nfs/dbraw/zinc/24/01/42/165240142.db2.gz FQJMMOMTOCJXQV-UGSOOPFHSA-N 1 0 344.415 0.941 10 0 ECAERO C[NH2+][C@H](C)CNC(=O)CCC(=O)NCC(=O)c1ccc(OC)cc1 ZINC000261776452 165241960 /nfs/dbraw/zinc/24/19/60/165241960.db2.gz PSUUXHKVRWBSMM-GFCCVEGCSA-N 1 0 335.404 0.498 10 0 ECAERO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261843490 165251605 /nfs/dbraw/zinc/25/16/05/165251605.db2.gz VDOMJDFDEACYRW-GBJTYRQASA-N 1 0 325.453 0.751 10 0 ECAERO COc1ccc(OC)c([C@H](O)CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000261853661 165253956 /nfs/dbraw/zinc/25/39/56/165253956.db2.gz BKCXFCLKFQLPOL-CQSZACIVSA-N 1 0 338.404 0.609 10 0 ECAERO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261865310 165255115 /nfs/dbraw/zinc/25/51/15/165255115.db2.gz RPVWGPMMHXTKPV-UISBYWKRSA-N 1 0 344.437 0.154 10 0 ECAERO [NH3+]C1(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCOCC1 ZINC000261868120 165255934 /nfs/dbraw/zinc/25/59/34/165255934.db2.gz NUNFAORCIBMGKF-INIZCTEOSA-N 1 0 333.432 0.372 10 0 ECAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C(=O)N1CCCCC1 ZINC000261879948 165258462 /nfs/dbraw/zinc/25/84/62/165258462.db2.gz FGRXQQDNBQMPKW-CFVMTHIKSA-N 1 0 333.436 0.240 10 0 ECAERO NC(=O)c1ccn(-c2ccc(NC(=O)C3(C[NH3+])CCOCC3)cc2)n1 ZINC000261898131 165259596 /nfs/dbraw/zinc/25/95/96/165259596.db2.gz HKVMHBVYZMOSSD-UHFFFAOYSA-N 1 0 343.387 0.665 10 0 ECAERO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C[C@@H](C)[NH3+])C1=O ZINC000261916026 165261747 /nfs/dbraw/zinc/26/17/47/165261747.db2.gz WZTODXYMKZVROD-SCZZXKLOSA-N 1 0 325.390 0.494 10 0 ECAERO COc1cc(OC)cc(N2CC[C@H](NC(=O)C3([NH3+])CCOCC3)C2)c1 ZINC000261911965 165261879 /nfs/dbraw/zinc/26/18/79/165261879.db2.gz TWNLDIWJDZLYDR-ZDUSSCGKSA-N 1 0 349.431 0.907 10 0 ECAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCc2cccc(C(N)=O)c2)cn1 ZINC000261928086 165263805 /nfs/dbraw/zinc/26/38/05/165263805.db2.gz LHJMKFQPZPHSMX-CVEARBPZSA-N 1 0 341.415 0.181 10 0 ECAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000262045424 165280482 /nfs/dbraw/zinc/28/04/82/165280482.db2.gz HZFSCGTWSWOHDC-PELKAZGASA-N 1 0 333.841 0.651 10 0 ECAERO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000262048462 165281943 /nfs/dbraw/zinc/28/19/43/165281943.db2.gz ZJUSKUOIAGVJSZ-ZNMIVQPWSA-N 1 0 331.482 0.157 10 0 ECAERO O=C(COc1ccc(Br)cc1F)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262074033 165285744 /nfs/dbraw/zinc/28/57/44/165285744.db2.gz BVWJGAWKPXGERS-LDYMZIIASA-N 1 0 347.184 0.664 10 0 ECAERO O=C(Cn1c2ccccc2nc1C(F)(F)F)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262242181 165314605 /nfs/dbraw/zinc/31/46/05/165314605.db2.gz LANXGSZKVOKDEF-BXKDBHETSA-N 1 0 342.321 0.752 10 0 ECAERO CC(C)(C)c1ccc(C(=O)NCCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262260183 165318079 /nfs/dbraw/zinc/31/80/79/165318079.db2.gz MEKRLBCMEVSJGM-ZBFHGGJFSA-N 1 0 347.459 0.801 10 0 ECAERO COC[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC000262263627 165318282 /nfs/dbraw/zinc/31/82/82/165318282.db2.gz UTYNZKQXLJGKDD-LLVKDONJSA-N 1 0 343.405 0.048 10 0 ECAERO COc1cc(Br)ccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262299217 165325970 /nfs/dbraw/zinc/32/59/70/165325970.db2.gz PKPGUHRCDBWBIB-LDYMZIIASA-N 1 0 329.194 0.768 10 0 ECAERO O=C(N1CCO[C@H](Cn2cccn2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262296827 165326226 /nfs/dbraw/zinc/32/62/26/165326226.db2.gz PENAXYHNJUHCCG-HNNXBMFYSA-N 1 0 344.419 0.086 10 0 ECAERO COC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000262308807 165327447 /nfs/dbraw/zinc/32/74/47/165327447.db2.gz OUEDPRDOWLRGGT-CYBMUJFWSA-N 1 0 325.796 0.598 10 0 ECAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000262312892 165327699 /nfs/dbraw/zinc/32/76/99/165327699.db2.gz PIQFFUZOZXALIO-MRXNPFEDSA-N 1 0 346.431 0.886 10 0 ECAERO O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262310768 165327848 /nfs/dbraw/zinc/32/78/48/165327848.db2.gz QKSGYHAVHQDTMW-TZMCWYRMSA-N 1 0 334.372 0.117 10 0 ECAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000262318882 165329012 /nfs/dbraw/zinc/32/90/12/165329012.db2.gz RCFKBDDGJDNBCE-PWSUYJOCSA-N 1 0 347.396 0.849 10 0 ECAERO CCCN(CC)C(=O)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262335778 165330670 /nfs/dbraw/zinc/33/06/70/165330670.db2.gz SPIBSIOUPVCLHU-JKSUJKDBSA-N 1 0 333.432 0.869 10 0 ECAERO COC(=O)c1cc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc(S(C)(=O)=O)c1 ZINC000262340600 165333105 /nfs/dbraw/zinc/33/31/05/165333105.db2.gz FOZOZFYTLWDRGK-VIFPVBQESA-N 1 0 340.401 0.671 10 0 ECAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1[nH]nc2ccc(Br)cc21 ZINC000262353248 165334347 /nfs/dbraw/zinc/33/43/47/165334347.db2.gz UOBWAMFIRRECRE-HQJQHLMTSA-N 1 0 339.193 0.636 10 0 ECAERO COC[C@H]([NH3+])C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000262352596 165334370 /nfs/dbraw/zinc/33/43/70/165334370.db2.gz UQRAHSQRVBEBGS-CPUCHLNUSA-N 1 0 335.448 0.886 10 0 ECAERO Cn1c2ccc(S(=O)(=O)N[C@](C)(C[NH3+])C3CC3)cc2oc1=O ZINC000262359887 165336875 /nfs/dbraw/zinc/33/68/75/165336875.db2.gz WHIPWYBDHHNZPP-CQSZACIVSA-N 1 0 325.390 0.537 10 0 ECAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cnn(Cc2ccccc2Cl)c1 ZINC000262362059 165338693 /nfs/dbraw/zinc/33/86/93/165338693.db2.gz VGXIJZIYAZGOHU-WFASDCNBSA-N 1 0 334.807 0.895 10 0 ECAERO COC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000262361704 165338917 /nfs/dbraw/zinc/33/89/17/165338917.db2.gz VPKSYHSTVOTBTM-SNVBAGLBSA-N 1 0 337.401 0.752 10 0 ECAERO Cc1c(CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)nnn1-c1ccc(C)cc1 ZINC000262375516 165340263 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CC(C)CCOCCNC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105824433 545738193 /nfs/dbraw/zinc/73/81/93/545738193.db2.gz PZHXAEVILOICGQ-HZPDHXFCSA-N 1 0 329.485 0.552 10 0 ECAERO NC(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072424261 216213954 /nfs/dbraw/zinc/21/39/54/216213954.db2.gz JSECWDHMPRGYKQ-MORSLUCNSA-N 1 0 329.400 0.763 10 0 ECAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CCO1 ZINC000130445550 223153066 /nfs/dbraw/zinc/15/30/66/223153066.db2.gz CFLJTPSWRBTAFU-OAHLLOKOSA-N 1 0 347.394 0.868 10 0 ECAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000191650799 239235565 /nfs/dbraw/zinc/23/55/65/239235565.db2.gz WWEFKYHHIXDJJE-UKRRQHHQSA-N 1 0 343.431 0.327 10 0 ECAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000193289919 240093807 /nfs/dbraw/zinc/09/38/07/240093807.db2.gz IXTXYXPEURAIET-SCZZXKLOSA-N 1 0 326.344 0.851 10 0 ECAERO CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236803463 242364288 /nfs/dbraw/zinc/36/42/88/242364288.db2.gz HCJSSHFPEDZAMH-QWHCGFSZSA-N 1 0 331.482 0.824 10 0 ECAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000246828570 243323187 /nfs/dbraw/zinc/32/31/87/243323187.db2.gz CRIRYIQQJQYQDA-KOLCDFICSA-N 1 0 329.447 0.704 10 0 ECAERO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247021661 243353055 /nfs/dbraw/zinc/35/30/55/243353055.db2.gz GCPNJMAJGGTQSF-MFKMUULPSA-N 1 0 343.435 0.561 10 0 ECAERO COc1ccc(CN(C)C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1OC(F)F ZINC000262355064 244938602 /nfs/dbraw/zinc/93/86/02/244938602.db2.gz HUOINTMFBOMGOA-MNOVXSKESA-N 1 0 330.331 0.978 10 0 ECAERO O=C(Nc1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1)c1ccncc1 ZINC000262360362 244939820 /nfs/dbraw/zinc/93/98/20/244939820.db2.gz ILZPCRKKZXXUSF-CVEARBPZSA-N 1 0 340.383 0.673 10 0 ECAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CNC(=O)C(C)(C)C)CC1 ZINC000176879244 296181409 /nfs/dbraw/zinc/18/14/09/296181409.db2.gz HDZNJLVEXIGPSA-CYBMUJFWSA-N 1 0 327.469 0.700 10 0 ECAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000111816463 220195970 /nfs/dbraw/zinc/19/59/70/220195970.db2.gz ZLYFQHBOFCZQRG-GJZGRUSLSA-N 1 0 328.457 0.117 10 0 ECAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000245433599 285270330 /nfs/dbraw/zinc/27/03/30/285270330.db2.gz QFEIGWQPTGJMPA-GUYCJALGSA-N 1 0 336.436 0.650 10 0 ECAERO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000118858805 221197783 /nfs/dbraw/zinc/19/77/83/221197783.db2.gz VCRIIBQDWPQBMO-CVEARBPZSA-N 1 0 326.412 0.954 10 0 ECAERO C[NH+](C)C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccccc1 ZINC000044116240 296596976 /nfs/dbraw/zinc/59/69/76/296596976.db2.gz MXJPFMRJKHZZBC-OAHLLOKOSA-N 1 0 339.399 0.915 10 0 ECAERO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121288163 292475558 /nfs/dbraw/zinc/47/55/58/292475558.db2.gz QUCYCOXHZQTLQZ-CYBMUJFWSA-N 1 0 338.456 0.895 10 0 ECAERO C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000153770241 287032070 /nfs/dbraw/zinc/03/20/70/287032070.db2.gz KCGICHSSYKDPBA-UKRRQHHQSA-N 1 0 342.461 0.434 10 0 ECAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000157851286 164790580 /nfs/dbraw/zinc/79/05/80/164790580.db2.gz NTBLHWJOLJMENZ-SWLSCSKDSA-N 1 0 337.445 0.985 10 0 ECAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(CCOCC(F)F)CC2)C1 ZINC000189164810 165007035 /nfs/dbraw/zinc/00/70/35/165007035.db2.gz QTMMGTCMCKLECH-OAHLLOKOSA-N 1 0 335.439 0.995 10 0 ECAERO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC(NC(=O)C2CC2)C1 ZINC000189388721 165009641 /nfs/dbraw/zinc/00/96/41/165009641.db2.gz IILQRXBRHFRDRR-UHFFFAOYSA-N 1 0 335.448 0.759 10 0 ECAERO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000194864513 165070929 /nfs/dbraw/zinc/07/09/29/165070929.db2.gz BVYFNMOWPJYXGY-HNNXBMFYSA-N 1 0 331.416 0.866 10 0 ECAERO Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195318141 165079660 /nfs/dbraw/zinc/07/96/60/165079660.db2.gz JTBBHBFSVNNBCH-AWEZNQCLSA-N 1 0 328.420 0.980 10 0 ECAERO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246236965 165126186 /nfs/dbraw/zinc/12/61/86/165126186.db2.gz CUOMYCLVTASQAI-YPMHNXCESA-N 1 0 347.419 0.446 10 0 ECAERO C[N@H+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[NH+](C)C1 ZINC000246751103 165141760 /nfs/dbraw/zinc/14/17/60/165141760.db2.gz FWEOBHWEYDZETB-LSDHHAIUSA-N 1 0 345.443 0.917 10 0 ECAERO NC(=O)CSc1ccccc1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246999232 165151193 /nfs/dbraw/zinc/15/11/93/165151193.db2.gz BKICTUPGNGWCJW-ZDUSSCGKSA-N 1 0 348.472 0.983 10 0 ECAERO COc1ccccc1CNC(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247050264 165152237 /nfs/dbraw/zinc/15/22/37/165152237.db2.gz FGDHJONVRFNWHG-GJZGRUSLSA-N 1 0 335.448 0.698 10 0 ECAERO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccc(F)cc2)C[C@H]1C ZINC000247204043 165155450 /nfs/dbraw/zinc/15/54/50/165155450.db2.gz PFMFCPAKKQDYIQ-YCPHGPKFSA-N 1 0 326.412 0.952 10 0 ECAERO COC(=O)c1ccc(OC[C@@H](O)CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247197755 165156033 /nfs/dbraw/zinc/15/60/33/165156033.db2.gz OTIXEYWWNWFIJF-HOTGVXAUSA-N 1 0 334.416 0.993 10 0 ECAERO CCOC(=O)c1cnn(C)c1NC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248367660 165172421 /nfs/dbraw/zinc/17/24/21/165172421.db2.gz UHPKMAISNQZWPJ-ZDUSSCGKSA-N 1 0 349.435 0.705 10 0 ECAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249103921 165193636 /nfs/dbraw/zinc/19/36/36/165193636.db2.gz GOQNAFSECNWADG-CABCVRRESA-N 1 0 328.453 0.733 10 0 ECAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC000249174655 165194264 /nfs/dbraw/zinc/19/42/64/165194264.db2.gz LXMMIRHVZWUIFA-NEPJUHHUSA-N 1 0 332.408 0.176 10 0 ECAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000249234011 165195716 /nfs/dbraw/zinc/19/57/16/165195716.db2.gz VVDVRSUFHOTMET-PWSUYJOCSA-N 1 0 348.378 0.558 10 0 ECAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000249219513 165196300 /nfs/dbraw/zinc/19/63/00/165196300.db2.gz UFLYYGDECZOHHF-WFASDCNBSA-N 1 0 344.415 0.348 10 0 ECAERO C[C@@]1(c2cccc(NC(=O)[C@H]([NH3+])C3CCOCC3)c2)NC(=O)NC1=O ZINC000261680727 165226482 /nfs/dbraw/zinc/22/64/82/165226482.db2.gz GYELGUMXVDGRFP-DYVFJYSZSA-N 1 0 346.387 0.434 10 0 ECAERO C[C@@H](NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C(=O)N(C)C ZINC000261696759 165229380 /nfs/dbraw/zinc/22/93/80/165229380.db2.gz JLZGUGXKZKSOPC-BMFZPTHFSA-N 1 0 332.448 0.254 10 0 ECAERO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261721910 165232840 /nfs/dbraw/zinc/23/28/40/165232840.db2.gz NNQQZGSBZJLCBM-HUUCEWRRSA-N 1 0 346.479 0.573 10 0 ECAERO CCOc1cc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ncn1 ZINC000261744695 165235628 /nfs/dbraw/zinc/23/56/28/165235628.db2.gz TZPDRTFGTZAONU-KGLIPLIRSA-N 1 0 333.436 0.960 10 0 ECAERO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnc(C2CC2)[nH]1 ZINC000261799371 165245921 /nfs/dbraw/zinc/24/59/21/165245921.db2.gz GXUJXLVSCRMUPU-NSHDSACASA-N 1 0 331.342 0.853 10 0 ECAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C(N)=O)c2ccccc2)cn1 ZINC000261900635 165259428 /nfs/dbraw/zinc/25/94/28/165259428.db2.gz HRCAIKOYRASURL-ILXRZTDVSA-N 1 0 327.388 0.066 10 0 ECAERO O=C(N[C@H](Cc1ccccc1)C(=O)NCC1C[NH2+]C1)c1ccco1 ZINC000261937041 165265608 /nfs/dbraw/zinc/26/56/08/165265608.db2.gz FSEMLCBUNLVFTH-OAHLLOKOSA-N 1 0 327.384 0.956 10 0 ECAERO CN1CCN(C(=O)c2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261955320 165269337 /nfs/dbraw/zinc/26/93/37/165269337.db2.gz ZPACQRHVQVCLAG-UHFFFAOYSA-N 1 0 346.431 0.521 10 0 ECAERO CCc1nsc(N2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)n1 ZINC000262017144 165276719 /nfs/dbraw/zinc/27/67/19/165276719.db2.gz ONZBUCYJLXKESX-MNOVXSKESA-N 1 0 325.438 0.255 10 0 ECAERO CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC1C[NH2+]C1 ZINC000262036375 165280637 /nfs/dbraw/zinc/28/06/37/165280637.db2.gz QPMRRGJFMDHDHI-CQSZACIVSA-N 1 0 343.424 0.464 10 0 ECAERO [NH3+][C@@H](C(=O)N1CCN(C(=O)C2CCCCC2)CC1)C1CCOCC1 ZINC000262072337 165285924 /nfs/dbraw/zinc/28/59/24/165285924.db2.gz SMNWKPDNNWNWNW-MRXNPFEDSA-N 1 0 337.464 0.991 10 0 ECAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000262127733 165295934 /nfs/dbraw/zinc/29/59/34/165295934.db2.gz GGNPTTAIKAXWBI-ZIAGYGMSSA-N 1 0 328.372 0.924 10 0 ECAERO CSC1(CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CCOCC1 ZINC000262253752 165315557 /nfs/dbraw/zinc/31/55/57/165315557.db2.gz LSGSYEDSMNBSHT-KGLIPLIRSA-N 1 0 338.477 0.752 10 0 ECAERO Cc1cc(C)n(Cc2cccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)c2)n1 ZINC000262289335 165324315 /nfs/dbraw/zinc/32/43/15/165324315.db2.gz OOHCDTAFAGOOBO-DLBZAZTESA-N 1 0 328.416 0.858 10 0 ECAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000262307906 165327870 /nfs/dbraw/zinc/32/78/70/165327870.db2.gz QFKNVRONBDDIJE-QEJZJMRPSA-N 1 0 333.388 0.114 10 0 ECAERO CC(C)c1nc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)nn1-c1cccc(F)c1 ZINC000262325285 165328667 /nfs/dbraw/zinc/32/86/67/165328667.db2.gz RTKWMDRASUOFQQ-FZMZJTMJSA-N 1 0 347.394 0.840 10 0 ECAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000262350479 165334879 /nfs/dbraw/zinc/33/48/79/165334879.db2.gz GIDARMXAUDJHAA-GFCCVEGCSA-N 1 0 343.449 0.984 10 0 ECAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(OCc2ccncc2)cc1 ZINC000262357878 165336910 /nfs/dbraw/zinc/33/69/10/165336910.db2.gz UXXYBOXYRYICPL-NVXWUHKLSA-N 1 0 327.384 0.971 10 0 ECAERO O=C(CCC(=O)N1CCc2sccc2C1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262394237 165344397 /nfs/dbraw/zinc/34/43/97/165344397.db2.gz YDMUAIIHNLSJLT-CHWSQXEVSA-N 1 0 337.445 0.110 10 0 ECAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O ZINC000262422587 165348087 /nfs/dbraw/zinc/34/80/87/165348087.db2.gz RXOKEQJZADVYGB-LLVKDONJSA-N 1 0 327.406 0.998 10 0 ECAERO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000262518076 165359070 /nfs/dbraw/zinc/35/90/70/165359070.db2.gz NTIBFZOALXVTNR-GXFFZTMASA-N 1 0 347.462 0.014 10 0 ECAERO C[C@@H](C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000262586583 165366481 /nfs/dbraw/zinc/36/64/81/165366481.db2.gz VNUAAPXAOVCIGE-PRHODGIISA-N 1 0 340.221 0.947 10 0 ECAERO 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COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105884973 436585033 /nfs/dbraw/zinc/58/50/33/436585033.db2.gz SDKAYWQEOAOWNX-AWEZNQCLSA-N 1 0 337.424 0.286 10 0 ECAERO COCCCNC(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915876 436585757 /nfs/dbraw/zinc/58/57/57/436585757.db2.gz ZSABDGHEKJXOKP-UHFFFAOYSA-N 1 0 337.468 0.432 10 0 ECAERO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113444775 436638094 /nfs/dbraw/zinc/63/80/94/436638094.db2.gz GCPNJMAJGGTQSF-GWCFXTLKSA-N 1 0 343.435 0.561 10 0 ECAERO CCC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC000115362747 436646471 /nfs/dbraw/zinc/64/64/71/436646471.db2.gz QORGUPIOWAANEO-DOTOQJQBSA-N 1 0 347.463 0.884 10 0 ECAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)CCO1 ZINC000116789994 436650972 /nfs/dbraw/zinc/65/09/72/436650972.db2.gz YBOVLVAOPPTMSE-OAHLLOKOSA-N 1 0 329.404 0.729 10 0 ECAERO CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000150783920 436691310 /nfs/dbraw/zinc/69/13/10/436691310.db2.gz SGSMODLWGZNJQY-WFASDCNBSA-N 1 0 346.431 0.830 10 0 ECAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000195293076 436685112 /nfs/dbraw/zinc/68/51/12/436685112.db2.gz HNTKNKFZZOFUBO-HNNXBMFYSA-N 1 0 331.420 0.387 10 0 ECAERO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237380385 436732412 /nfs/dbraw/zinc/73/24/12/436732412.db2.gz GDPTXXQJNCXFFU-WCFLWFBJSA-N 1 0 325.434 0.899 10 0 ECAERO CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000237439805 436734869 /nfs/dbraw/zinc/73/48/69/436734869.db2.gz YCOGYUHLMKANGS-NEPJUHHUSA-N 1 0 326.418 0.713 10 0 ECAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000153428771 436756626 /nfs/dbraw/zinc/75/66/26/436756626.db2.gz WOMHPGBWHLNHHY-AWEZNQCLSA-N 1 0 331.482 0.937 10 0 ECAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccnc3c(C(N)=O)cnn32)C1 ZINC000153889729 436766051 /nfs/dbraw/zinc/76/60/51/436766051.db2.gz UOHHOVXEVMXOPK-PWSUYJOCSA-N 1 0 330.392 0.287 10 0 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/nfs/dbraw/zinc/79/38/94/436793894.db2.gz VNJQEAWUAXLQLJ-SJLPKXTDSA-N 1 0 338.448 0.835 10 0 ECAERO CC[C@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248458750 436803428 /nfs/dbraw/zinc/80/34/28/436803428.db2.gz QPUAGQKCRPYDCN-BBRMVZONSA-N 1 0 348.447 0.772 10 0 ECAERO CC[C@@H]1CN(C(=O)NCCCN2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000248448218 436804264 /nfs/dbraw/zinc/80/42/64/436804264.db2.gz HIUGVEZOMYLZOO-JKSUJKDBSA-N 1 0 342.484 0.195 10 0 ECAERO Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000155915786 436805179 /nfs/dbraw/zinc/80/51/79/436805179.db2.gz YWFGFPXSIULAHN-STQMWFEESA-N 1 0 337.445 0.951 10 0 ECAERO CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248563456 436805709 /nfs/dbraw/zinc/80/57/09/436805709.db2.gz BGXQPHDHECDZOM-DCAQKATOSA-N 1 0 342.417 0.986 10 0 ECAERO CC(C)C[N@@H+]1CC[C@H](c2nnc3n2CCN(C(=O)CCO)CC3)C1 ZINC000257190385 436857405 /nfs/dbraw/zinc/85/74/05/436857405.db2.gz MHUYGOUOTRHWAC-AWEZNQCLSA-N 1 0 335.452 0.491 10 0 ECAERO O=C([C@@H]1C[NH2+]CCO1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000162937337 436914164 /nfs/dbraw/zinc/91/41/64/436914164.db2.gz QAOFOXYZNDVWPR-UPJWGTAASA-N 1 0 326.418 0.387 10 0 ECAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000171351050 436978498 /nfs/dbraw/zinc/97/84/98/436978498.db2.gz LLIOFXAQUVAFMK-NSHDSACASA-N 1 0 336.367 0.464 10 0 ECAERO CCOCCN1CCN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@H]1C ZINC000164766705 436932245 /nfs/dbraw/zinc/93/22/45/436932245.db2.gz BFKFMICFOGRCLJ-GFCCVEGCSA-N 1 0 336.436 0.580 10 0 ECAERO CCC1(CC)[C@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[C@H](C)[C@H]1OC ZINC000262516994 436938736 /nfs/dbraw/zinc/93/87/36/436938736.db2.gz CVRQQIGAWWVLSU-UMSGYPCISA-N 1 0 334.482 0.704 10 0 ECAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000166793992 436939731 /nfs/dbraw/zinc/93/97/31/436939731.db2.gz UZUVARWOLODRQC-LSDHHAIUSA-N 1 0 345.447 0.364 10 0 ECAERO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262664707 436940266 /nfs/dbraw/zinc/94/02/66/436940266.db2.gz INWGUZXZMYRQEW-OAGGEKHMSA-N 1 0 336.480 0.659 10 0 ECAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN([C@@H](C)C(=O)[O-])C2CC2)C1 ZINC000263186670 436954320 /nfs/dbraw/zinc/95/43/20/436954320.db2.gz UYKLWEZIBIMYFP-ZFWWWQNUSA-N 1 0 341.452 0.397 10 0 ECAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000263225652 436956553 /nfs/dbraw/zinc/95/65/53/436956553.db2.gz GIWGFURQGFZLMX-RDJZCZTQSA-N 1 0 335.448 0.976 10 0 ECAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000170859844 436957343 /nfs/dbraw/zinc/95/73/43/436957343.db2.gz JLABAEHNBMWQJW-VIFPVBQESA-N 1 0 331.825 0.764 10 0 ECAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000170844928 436957645 /nfs/dbraw/zinc/95/76/45/436957645.db2.gz DQBLQSIZBOVFAS-ZDUSSCGKSA-N 1 0 327.388 0.973 10 0 ECAERO Cc1oc2ncn(C)c(=O)c2c1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263284712 436960177 /nfs/dbraw/zinc/96/01/77/436960177.db2.gz UVXMUDSGVGSOSR-VIFPVBQESA-N 1 0 330.348 0.461 10 0 ECAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000172245475 437005495 /nfs/dbraw/zinc/00/54/95/437005495.db2.gz OIWMMWSONPYHGB-LSDHHAIUSA-N 1 0 337.468 0.029 10 0 ECAERO CC(=O)NC[C@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000172275337 437006660 /nfs/dbraw/zinc/00/66/60/437006660.db2.gz PTJCNJNHEWOCMJ-CABCVRRESA-N 1 0 328.457 0.509 10 0 ECAERO CC[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174592670 437082941 /nfs/dbraw/zinc/08/29/41/437082941.db2.gz WBQHZIZKODQIOD-ZIAGYGMSSA-N 1 0 327.469 0.842 10 0 ECAERO COCCN1CCN(C(=O)CCSc2n[nH]c(C)n2)C[C@@H]1C ZINC000174953471 437092417 /nfs/dbraw/zinc/09/24/17/437092417.db2.gz QURULXXWQBXUSE-NSHDSACASA-N 1 0 327.454 0.774 10 0 ECAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175878388 437121628 /nfs/dbraw/zinc/12/16/28/437121628.db2.gz LSTNBUQXGONRFH-UONOGXRCSA-N 1 0 336.440 0.567 10 0 ECAERO C[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177219620 437172579 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ECAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1nnnn1C1CC1 ZINC000188756851 611377517 /nfs/dbraw/zinc/37/75/17/611377517.db2.gz JNULCWDEJFNMAC-AAEUAGOBSA-N 1 0 337.428 0.215 10 0 ECAERO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc2c(c1)OCCO2 ZINC000187814175 611494206 /nfs/dbraw/zinc/49/42/06/611494206.db2.gz MSQARMSJGPRDNA-LLVKDONJSA-N 1 0 326.418 1.000 10 0 ECAERO CS(=O)(=O)c1ccc(N2CCC[C@@H]2C[NH3+])c(S(C)(=O)=O)c1 ZINC000053663484 608603504 /nfs/dbraw/zinc/60/35/04/608603504.db2.gz QMDALJQSIBMSOR-SNVBAGLBSA-N 1 0 332.447 0.421 10 0 ECAERO [NH3+][C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000158354428 608895210 /nfs/dbraw/zinc/89/52/10/608895210.db2.gz YSHBXNNHIIDQKB-QMMMGPOBSA-N 1 0 337.854 0.630 10 0 ECAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000160317877 608911236 /nfs/dbraw/zinc/91/12/36/608911236.db2.gz IKCZBIOVKFDNNH-LBPRGKRZSA-N 1 0 341.408 0.830 10 0 ECAERO CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000237444932 609454013 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348.451 0.553 10 0 ECAERO CC[C@H]1CN([C@H](C)c2nc(N)nc(N(C)C)n2)CC[N@@H+]1CCOC ZINC000247774070 165168568 /nfs/dbraw/zinc/16/85/68/165168568.db2.gz QAEBADGXRCFZFG-OLZOCXBDSA-N 1 0 337.472 0.623 10 0 ECAERO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249144671 165193401 /nfs/dbraw/zinc/19/34/01/165193401.db2.gz GENQIZZCKRREFL-OCCSQVGLSA-N 1 0 344.415 0.728 10 0 ECAERO COCCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000249110197 165193523 /nfs/dbraw/zinc/19/35/23/165193523.db2.gz AMXMYJYLCXZJMQ-OCCSQVGLSA-N 1 0 335.408 0.163 10 0 ECAERO COCC(=O)NC1CN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000249397959 165197905 /nfs/dbraw/zinc/19/79/05/165197905.db2.gz BLGQWKUVZLCNSE-STQMWFEESA-N 1 0 326.441 0.263 10 0 ECAERO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C(N)=O ZINC000261611642 165214553 /nfs/dbraw/zinc/21/45/53/165214553.db2.gz BEHWBPMDLPWNKX-TVYUQYBPSA-N 1 0 339.417 0.152 10 0 ECAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000261639827 165218920 /nfs/dbraw/zinc/21/89/20/165218920.db2.gz DEQZJMMREORAIF-SNVBAGLBSA-N 1 0 347.462 0.014 10 0 ECAERO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncncc1Cl ZINC000261670868 165225486 /nfs/dbraw/zinc/22/54/86/165225486.db2.gz BWBCSNMNVBFXAB-VIFPVBQESA-N 1 0 337.733 0.696 10 0 ECAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000261668457 165225540 /nfs/dbraw/zinc/22/55/40/165225540.db2.gz GODVUVGJMFGNOU-NSHDSACASA-N 1 0 330.406 0.515 10 0 ECAERO C[NH2+][C@H](C)CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000261676720 165225963 /nfs/dbraw/zinc/22/59/63/165225963.db2.gz HFMRVCYFVDWNOH-GFCCVEGCSA-N 1 0 341.433 0.045 10 0 ECAERO C[C@H]([NH3+])CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000261771365 165241918 /nfs/dbraw/zinc/24/19/18/165241918.db2.gz IVCGHKFOAORZDH-LBPRGKRZSA-N 1 0 341.433 0.061 10 0 ECAERO CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261785436 165243880 /nfs/dbraw/zinc/24/38/80/165243880.db2.gz PSOKSSNFZSETOM-IUODEOHRSA-N 1 0 340.445 0.960 10 0 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