smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000191836780 548350985 /nfs/dbraw/zinc/35/09/85/548350985.db2.gz KMILKUGRGLXGHI-UHFFFAOYSA-N 1 2 355.843 2.101 20 10 FECDLO Nc1ccc(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000262264982 549804019 /nfs/dbraw/zinc/80/40/19/549804019.db2.gz VEOBDMSPUAQZFJ-UHFFFAOYSA-N 1 2 366.465 2.031 20 10 FECDLO c1cc(N2CCOCC2)ccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000265991361 550015883 /nfs/dbraw/zinc/01/58/83/550015883.db2.gz IKXMELIMPPVEFE-UHFFFAOYSA-N 1 2 371.510 2.479 20 10 FECDLO c1cc(N2CCOCC2)ccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000265991361 550015890 /nfs/dbraw/zinc/01/58/90/550015890.db2.gz IKXMELIMPPVEFE-UHFFFAOYSA-N 1 2 371.510 2.479 20 10 FECDLO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273510200 550501045 /nfs/dbraw/zinc/50/10/45/550501045.db2.gz RMJKADCQHYNIBF-DOMZBBRYSA-N 1 2 353.419 2.128 20 10 FECDLO CCOC(=O)[C@H](CC)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273623731 550505890 /nfs/dbraw/zinc/50/58/90/550505890.db2.gz QZUOBYIMYLILMS-HNNXBMFYSA-N 1 2 366.458 2.176 20 10 FECDLO C[C@H]1CN(c2ccc(CNC(=O)CCc3c[nH+]cn3C)cc2F)C[C@H](C)O1 ZINC000276659696 550582542 /nfs/dbraw/zinc/58/25/42/550582542.db2.gz XYDNKMZAZBAPTC-GJZGRUSLSA-N 1 2 374.460 2.422 20 10 FECDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287460962 552006953 /nfs/dbraw/zinc/00/69/53/552006953.db2.gz OXTVXDSUWJAICX-FXAWDEMLSA-N 1 2 370.497 2.067 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3conc3C3CC3)CC2)cc1 ZINC000291368940 552619486 /nfs/dbraw/zinc/61/94/86/552619486.db2.gz TZXFRDDHZFKLDB-UHFFFAOYSA-N 1 2 370.453 2.113 20 10 FECDLO COc1cc[nH+]cc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000294201231 552889158 /nfs/dbraw/zinc/88/91/58/552889158.db2.gz LBHIUJBWEJNXTG-UHFFFAOYSA-N 1 2 370.453 2.268 20 10 FECDLO C[C@H](O)CNc1cc(NCc2cccc(Br)c2O)nc[nH+]1 ZINC000299025953 553505306 /nfs/dbraw/zinc/50/53/06/553505306.db2.gz SXFLDTJSDCYGGX-VIFPVBQESA-N 1 2 353.220 2.350 20 10 FECDLO C[C@H](O)CNc1cc(NCc2cccc(Br)c2O)[nH+]cn1 ZINC000299025953 553505308 /nfs/dbraw/zinc/50/53/08/553505308.db2.gz SXFLDTJSDCYGGX-VIFPVBQESA-N 1 2 353.220 2.350 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)CCn3cc[nH+]c3)cc2F)C[C@H](C)O1 ZINC000299681751 553601821 /nfs/dbraw/zinc/60/18/21/553601821.db2.gz SCDJHRHQBZEADM-GASCZTMLSA-N 1 2 360.433 2.342 20 10 FECDLO COc1ccc(N2CCC(N(C)C(=O)NCc3[nH+]ccn3C)CC2)cc1 ZINC000363384947 555091727 /nfs/dbraw/zinc/09/17/27/555091727.db2.gz RQHMUBXJGOAGQQ-UHFFFAOYSA-N 1 2 357.458 2.239 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccoc3CC(N)=O)CC2)cc1 ZINC000368508363 556330621 /nfs/dbraw/zinc/33/06/21/556330621.db2.gz RFESKLXQDHEIRW-UHFFFAOYSA-N 1 2 371.437 2.057 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccn(C)c3=O)CC2)cc1 ZINC000369261947 556554596 /nfs/dbraw/zinc/55/45/96/556554596.db2.gz JXEJBQJBSAIJJA-UHFFFAOYSA-N 1 2 355.438 2.135 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000369367044 556581474 /nfs/dbraw/zinc/58/14/74/556581474.db2.gz VLLGRAASLCKKCQ-UHFFFAOYSA-N 1 2 369.513 2.376 20 10 FECDLO COc1ccc(N2CCC(N(C)C(=O)CCc3c[nH+]cn3C)CC2)cc1 ZINC000373473510 557700205 /nfs/dbraw/zinc/70/02/05/557700205.db2.gz IEONYCNYNIGPCJ-UHFFFAOYSA-N 1 2 356.470 2.489 20 10 FECDLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000374902724 557948404 /nfs/dbraw/zinc/94/84/04/557948404.db2.gz NRWYYMJJJJYJON-GFCCVEGCSA-N 1 2 360.426 2.322 20 10 FECDLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000374902724 557948405 /nfs/dbraw/zinc/94/84/05/557948405.db2.gz NRWYYMJJJJYJON-GFCCVEGCSA-N 1 2 360.426 2.322 20 10 FECDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000378345280 558534861 /nfs/dbraw/zinc/53/48/61/558534861.db2.gz IRASFOGETUAZEF-LLVKDONJSA-N 1 2 353.271 2.213 20 10 FECDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000378345280 558534862 /nfs/dbraw/zinc/53/48/62/558534862.db2.gz IRASFOGETUAZEF-LLVKDONJSA-N 1 2 353.271 2.213 20 10 FECDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000530272829 562404859 /nfs/dbraw/zinc/40/48/59/562404859.db2.gz DOJJIDDQSIEZQH-CYBMUJFWSA-N 1 2 360.385 2.250 20 10 FECDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000530272829 562404860 /nfs/dbraw/zinc/40/48/60/562404860.db2.gz DOJJIDDQSIEZQH-CYBMUJFWSA-N 1 2 360.385 2.250 20 10 FECDLO COc1cc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000178889991 672396523 /nfs/dbraw/zinc/39/65/23/672396523.db2.gz DYLAIKNXXBNYIT-MRXNPFEDSA-N 1 2 350.459 2.035 20 10 FECDLO COc1cc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000178889991 672396525 /nfs/dbraw/zinc/39/65/25/672396525.db2.gz DYLAIKNXXBNYIT-MRXNPFEDSA-N 1 2 350.459 2.035 20 10 FECDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1O ZINC000183489336 672470048 /nfs/dbraw/zinc/47/00/48/672470048.db2.gz GXYKPJSWDXRMOT-UHFFFAOYSA-N 1 2 364.442 2.346 20 10 FECDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000824608658 675613252 /nfs/dbraw/zinc/61/32/52/675613252.db2.gz LNHZQTQXAUYMTG-QHCPKHFHSA-N 1 2 359.875 2.322 20 10 FECDLO Cc1nc(CN2CC[NH+](Cc3ccc(Br)cc3O)CC2)no1 ZINC000824762311 675620598 /nfs/dbraw/zinc/62/05/98/675620598.db2.gz QUBDXCSMTIAQEU-UHFFFAOYSA-N 1 2 367.247 2.164 20 10 FECDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825623028 675661400 /nfs/dbraw/zinc/66/14/00/675661400.db2.gz ZHVUOXXLCLNJNM-CVEARBPZSA-N 1 2 351.443 2.197 20 10 FECDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825623028 675661402 /nfs/dbraw/zinc/66/14/02/675661402.db2.gz ZHVUOXXLCLNJNM-CVEARBPZSA-N 1 2 351.443 2.197 20 10 FECDLO Cc1cc(Br)c(O)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000827120488 675731261 /nfs/dbraw/zinc/73/12/61/675731261.db2.gz TYNYQQZESUWPCJ-CQSZACIVSA-N 1 2 355.276 2.370 20 10 FECDLO C[C@H](O)CNc1cc(NCc2cc(Br)ccc2O)nc[nH+]1 ZINC000840306867 680813942 /nfs/dbraw/zinc/81/39/42/680813942.db2.gz YFLHIAWLGLIWJN-VIFPVBQESA-N 1 2 353.220 2.350 20 10 FECDLO C[C@H](O)CNc1cc(NCc2cc(Br)ccc2O)[nH+]cn1 ZINC000840306867 680813945 /nfs/dbraw/zinc/81/39/45/680813945.db2.gz YFLHIAWLGLIWJN-VIFPVBQESA-N 1 2 353.220 2.350 20 10 FECDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776001696 681355667 /nfs/dbraw/zinc/35/56/67/681355667.db2.gz QQZKJQBJKPGRKU-KSSFIOAISA-N 1 2 350.434 2.436 20 10 FECDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776001696 681355672 /nfs/dbraw/zinc/35/56/72/681355672.db2.gz QQZKJQBJKPGRKU-KSSFIOAISA-N 1 2 350.434 2.436 20 10 FECDLO O=c1[nH]c(C[NH2+]Cc2ccc(Br)cc2O)nc2c1COCC2 ZINC000877775150 686452494 /nfs/dbraw/zinc/45/24/94/686452494.db2.gz QRHDAGNSZITPSL-UHFFFAOYSA-N 1 2 366.215 2.013 20 10 FECDLO C[C@]12C[N@H+](Cc3ccc(Br)cc3O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877813646 686469655 /nfs/dbraw/zinc/46/96/55/686469655.db2.gz NITGYVLYKQUSPO-GASCZTMLSA-N 1 2 374.300 2.411 20 10 FECDLO C[C@]12C[N@@H+](Cc3ccc(Br)cc3O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877813646 686469658 /nfs/dbraw/zinc/46/96/58/686469658.db2.gz NITGYVLYKQUSPO-GASCZTMLSA-N 1 2 374.300 2.411 20 10 FECDLO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(I)n1 ZINC000893962888 689437818 /nfs/dbraw/zinc/43/78/18/689437818.db2.gz VONQURUOSBMQLX-UHFFFAOYSA-N 1 2 357.195 2.362 20 10 FECDLO Cn1cc(C[N@@H+](C)Cc2ccccc2O)c(I)n1 ZINC000893962888 689437823 /nfs/dbraw/zinc/43/78/23/689437823.db2.gz VONQURUOSBMQLX-UHFFFAOYSA-N 1 2 357.195 2.362 20 10 FECDLO C[C@@H]([NH2+]CCCc1nnnn1C)c1cc(Br)c(F)cc1O ZINC000903349872 690884205 /nfs/dbraw/zinc/88/42/05/690884205.db2.gz ZNANSFZZNCRLHA-MRVPVSSYSA-N 1 2 358.215 2.101 20 10 FECDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171670033 546218112 /nfs/dbraw/zinc/21/81/12/546218112.db2.gz KHZWDBBUCRWAQP-UHFFFAOYSA-N 1 2 350.422 2.443 20 10 FECDLO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1O ZINC000187790349 548264037 /nfs/dbraw/zinc/26/40/37/548264037.db2.gz DNVVOXIHUPISOM-GWCFXTLKSA-N 1 2 350.369 2.250 20 10 FECDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272627545 550461512 /nfs/dbraw/zinc/46/15/12/550461512.db2.gz JWWXJRGPRWOHRU-XVNBXDOJSA-N 1 2 355.394 2.290 20 10 FECDLO C[NH+]1CCN(Cc2cccc(NC(=O)c3c(F)ccc(O)c3O)c2)CC1 ZINC000276590236 550579466 /nfs/dbraw/zinc/57/94/66/550579466.db2.gz MXMRNWQYDBUBKQ-UHFFFAOYSA-N 1 2 359.401 2.237 20 10 FECDLO CN1CC[NH+](Cc2cccc(NC(=O)c3c(F)ccc(O)c3O)c2)CC1 ZINC000276590236 550579467 /nfs/dbraw/zinc/57/94/67/550579467.db2.gz MXMRNWQYDBUBKQ-UHFFFAOYSA-N 1 2 359.401 2.237 20 10 FECDLO C[C@@H](C(=O)NCc1cccc(Br)c1O)[NH+]1CCSCC1 ZINC000277602692 550690486 /nfs/dbraw/zinc/69/04/86/550690486.db2.gz UJXCMHQWBNALLO-JTQLQIEISA-N 1 2 359.289 2.208 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(c3ccccc3O)CC2)ccc1[N+](=O)[O-] ZINC000278155790 550755133 /nfs/dbraw/zinc/75/51/33/550755133.db2.gz CZJPVDALDBCWKO-UHFFFAOYSA-N 1 2 359.382 2.337 20 10 FECDLO CCc1cc(N)nc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)[nH+]1 ZINC000279054043 550851096 /nfs/dbraw/zinc/85/10/96/550851096.db2.gz HTJRYXJQXRKJSB-UHFFFAOYSA-N 1 2 359.499 2.438 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3c(C)coc3C)CC2)cc1 ZINC000284033783 551472190 /nfs/dbraw/zinc/47/21/90/551472190.db2.gz SJJLJOCKTQIAGS-UHFFFAOYSA-N 1 2 357.454 2.457 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285360620 551743566 /nfs/dbraw/zinc/74/35/66/551743566.db2.gz BNFUJBUNPXDCSY-UHFFFAOYSA-N 1 2 369.465 2.311 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285360620 551743569 /nfs/dbraw/zinc/74/35/69/551743569.db2.gz BNFUJBUNPXDCSY-UHFFFAOYSA-N 1 2 369.465 2.311 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000285493610 551765264 /nfs/dbraw/zinc/76/52/64/551765264.db2.gz PNKUGTKZXUNNDO-UHFFFAOYSA-N 1 2 374.890 2.009 20 10 FECDLO C[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000291014309 552576255 /nfs/dbraw/zinc/57/62/55/552576255.db2.gz ACBGROGGIFTCPY-ZDUSSCGKSA-N 1 2 370.409 2.405 20 10 FECDLO C[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000291014309 552576256 /nfs/dbraw/zinc/57/62/56/552576256.db2.gz ACBGROGGIFTCPY-ZDUSSCGKSA-N 1 2 370.409 2.405 20 10 FECDLO COCCn1nnc2c1CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000293609947 552840027 /nfs/dbraw/zinc/84/00/27/552840027.db2.gz JWBZADBQVOJVMZ-UHFFFAOYSA-N 1 2 355.486 2.473 20 10 FECDLO COCCn1nnc2c1CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000293609947 552840028 /nfs/dbraw/zinc/84/00/28/552840028.db2.gz JWBZADBQVOJVMZ-UHFFFAOYSA-N 1 2 355.486 2.473 20 10 FECDLO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294472348 552908758 /nfs/dbraw/zinc/90/87/58/552908758.db2.gz ZNZVHEWGBIZGQV-UHFFFAOYSA-N 1 2 350.843 2.088 20 10 FECDLO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3nc(N)n(C)n3)cc2)CC1 ZINC000295152365 552964212 /nfs/dbraw/zinc/96/42/12/552964212.db2.gz GCPUHUDXRYLHPV-GOSISDBHSA-N 1 2 370.501 2.350 20 10 FECDLO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3nc(N)n(C)n3)cc2)CC1 ZINC000295152365 552964213 /nfs/dbraw/zinc/96/42/13/552964213.db2.gz GCPUHUDXRYLHPV-GOSISDBHSA-N 1 2 370.501 2.350 20 10 FECDLO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000298742864 553467210 /nfs/dbraw/zinc/46/72/10/553467210.db2.gz PMTPVSLYSBYJBC-INIZCTEOSA-N 1 2 370.453 2.260 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000365683304 555639771 /nfs/dbraw/zinc/63/97/71/555639771.db2.gz YCUVOBYVDWSFQL-NVGCLXPQSA-N 1 2 352.387 2.077 20 10 FECDLO COc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)c1 ZINC000368051376 556204446 /nfs/dbraw/zinc/20/44/46/556204446.db2.gz MHVHANCVIIKLLI-INIZCTEOSA-N 1 2 367.405 2.085 20 10 FECDLO COc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)c1 ZINC000368051376 556204447 /nfs/dbraw/zinc/20/44/47/556204447.db2.gz MHVHANCVIIKLLI-INIZCTEOSA-N 1 2 367.405 2.085 20 10 FECDLO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000373825157 557767615 /nfs/dbraw/zinc/76/76/15/557767615.db2.gz OWIUCNRLVDBOGC-OAHLLOKOSA-N 1 2 356.825 2.398 20 10 FECDLO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000373825157 557767616 /nfs/dbraw/zinc/76/76/16/557767616.db2.gz OWIUCNRLVDBOGC-OAHLLOKOSA-N 1 2 356.825 2.398 20 10 FECDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(F)c1O ZINC000375008199 557963212 /nfs/dbraw/zinc/96/32/12/557963212.db2.gz KYVHBYSTTYLWFF-CABCVRRESA-N 1 2 352.406 2.351 20 10 FECDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(F)c1O ZINC000375008199 557963213 /nfs/dbraw/zinc/96/32/13/557963213.db2.gz KYVHBYSTTYLWFF-CABCVRRESA-N 1 2 352.406 2.351 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)N(C)C[C@@H]3C2)c1O ZINC000376055991 558120561 /nfs/dbraw/zinc/12/05/61/558120561.db2.gz UFZJXZUNGOECPT-CYBMUJFWSA-N 1 2 354.248 2.015 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)N(C)C[C@@H]3C2)c1O ZINC000376055991 558120563 /nfs/dbraw/zinc/12/05/63/558120563.db2.gz UFZJXZUNGOECPT-CYBMUJFWSA-N 1 2 354.248 2.015 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@H]3CCCC(=O)N3)CC2)cc1 ZINC000377383837 558330214 /nfs/dbraw/zinc/33/02/14/558330214.db2.gz KHMJNQVINHDULA-OAHLLOKOSA-N 1 2 359.470 2.181 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000471829909 561012578 /nfs/dbraw/zinc/01/25/78/561012578.db2.gz GQWISKYIXPWJOS-JKSUJKDBSA-N 1 2 358.486 2.395 20 10 FECDLO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)CS(=O)(=O)CC ZINC000093413998 670753209 /nfs/dbraw/zinc/75/32/09/670753209.db2.gz KMHYYOHCXZPEQQ-OAHLLOKOSA-N 1 2 372.506 2.307 20 10 FECDLO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)CS(=O)(=O)CC ZINC000093413998 670753210 /nfs/dbraw/zinc/75/32/10/670753210.db2.gz KMHYYOHCXZPEQQ-OAHLLOKOSA-N 1 2 372.506 2.307 20 10 FECDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(N3CCOC[C@@H]3C)CC2)c1O ZINC000821278505 675424408 /nfs/dbraw/zinc/42/44/08/675424408.db2.gz BQDNFLBNDCCYKA-ZDUSSCGKSA-N 1 2 350.434 2.419 20 10 FECDLO CC(=O)c1cc(F)cc(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1O ZINC000821278505 675424412 /nfs/dbraw/zinc/42/44/12/675424412.db2.gz BQDNFLBNDCCYKA-ZDUSSCGKSA-N 1 2 350.434 2.419 20 10 FECDLO CC(=O)c1cc(F)cc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1O ZINC000821278505 675424415 /nfs/dbraw/zinc/42/44/15/675424415.db2.gz BQDNFLBNDCCYKA-ZDUSSCGKSA-N 1 2 350.434 2.419 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cc1Cl ZINC000824542214 675609568 /nfs/dbraw/zinc/60/95/68/675609568.db2.gz QPTRTXVHUUTDAN-UHFFFAOYSA-N 1 2 365.905 2.484 20 10 FECDLO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[N@@H+]1CCc2sccc2C1 ZINC000825438422 675653101 /nfs/dbraw/zinc/65/31/01/675653101.db2.gz SWVJCNROZLOQIE-SNVBAGLBSA-N 1 2 350.415 2.475 20 10 FECDLO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[N@H+]1CCc2sccc2C1 ZINC000825438422 675653103 /nfs/dbraw/zinc/65/31/03/675653103.db2.gz SWVJCNROZLOQIE-SNVBAGLBSA-N 1 2 350.415 2.475 20 10 FECDLO CCc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O ZINC000826894464 675714061 /nfs/dbraw/zinc/71/40/61/675714061.db2.gz PRNMDWCVTFDFIS-STQMWFEESA-N 1 2 351.390 2.362 20 10 FECDLO CCc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O ZINC000826894464 675714063 /nfs/dbraw/zinc/71/40/63/675714063.db2.gz PRNMDWCVTFDFIS-STQMWFEESA-N 1 2 351.390 2.362 20 10 FECDLO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000756768154 680496718 /nfs/dbraw/zinc/49/67/18/680496718.db2.gz AMYBLQYAPZTNEL-HTQZYQBOSA-N 1 2 354.241 2.378 20 10 FECDLO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1O ZINC000756776432 680497141 /nfs/dbraw/zinc/49/71/41/680497141.db2.gz PGLYEMKTAWRQEY-AMIZOPFISA-N 1 2 358.211 2.412 20 10 FECDLO Oc1c(Br)cccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768192039 680940046 /nfs/dbraw/zinc/94/00/46/680940046.db2.gz MTOGTOUZTPGYJZ-CQSZACIVSA-N 1 2 355.276 2.451 20 10 FECDLO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CCO2 ZINC000776519830 681398865 /nfs/dbraw/zinc/39/88/65/681398865.db2.gz JCZJPMRLVDARDO-IUODEOHRSA-N 1 2 363.838 2.011 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)c1O ZINC000934263219 681537769 /nfs/dbraw/zinc/53/77/69/681537769.db2.gz NLPNIFNBJPDYFA-DLBZAZTESA-N 1 2 352.862 2.279 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)c1O ZINC000934263219 681537773 /nfs/dbraw/zinc/53/77/73/681537773.db2.gz NLPNIFNBJPDYFA-DLBZAZTESA-N 1 2 352.862 2.279 20 10 FECDLO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1O ZINC000858434411 682967785 /nfs/dbraw/zinc/96/77/85/682967785.db2.gz GKDWCTWRNGGTQE-PELKAZGASA-N 1 2 358.211 2.412 20 10 FECDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1C[C@H](O)C12CCOCC2 ZINC000923021322 683821067 /nfs/dbraw/zinc/82/10/67/683821067.db2.gz XIJBWYITKBMVTE-OLZOCXBDSA-N 1 2 360.223 2.313 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3c(O)cccc3Br)C[C@H]2C1 ZINC000877788722 686459944 /nfs/dbraw/zinc/45/99/44/686459944.db2.gz GIUPUWOOXXMSIH-QWRGUYRKSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3c(O)cccc3Br)C[C@H]2C1 ZINC000877788722 686459949 /nfs/dbraw/zinc/45/99/49/686459949.db2.gz GIUPUWOOXXMSIH-QWRGUYRKSA-N 1 2 360.273 2.021 20 10 FECDLO OCC[C@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000883105816 687567158 /nfs/dbraw/zinc/56/71/58/687567158.db2.gz WNZGSDNYPVSOAD-ZDUSSCGKSA-N 1 2 350.640 2.439 20 10 FECDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)cn1 ZINC000893941082 689434513 /nfs/dbraw/zinc/43/45/13/689434513.db2.gz VXQHKNWHARPEEZ-UHFFFAOYSA-N 1 2 350.325 2.296 20 10 FECDLO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898219631 690146049 /nfs/dbraw/zinc/14/60/49/690146049.db2.gz INQLPNCNQVNZFZ-UHFFFAOYSA-N 1 2 350.850 2.214 20 10 FECDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000898401377 690177013 /nfs/dbraw/zinc/17/70/13/690177013.db2.gz QANCSZWQZBTWBO-XMMPIXPASA-N 1 2 361.458 2.457 20 10 FECDLO C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C(=O)NCCF ZINC000800498332 674057390 /nfs/dbraw/zinc/05/73/90/674057390.db2.gz HLUFRVJRXLCNFB-HTQZYQBOSA-N 1 2 351.191 2.419 20 10 FECDLO CC[N@H+](Cc1nnnn1C1CC1)Cc1cc(Br)ccc1O ZINC000076118481 542235006 /nfs/dbraw/zinc/23/50/06/542235006.db2.gz RHPFPPXVFYDARL-UHFFFAOYSA-N 1 2 352.236 2.498 20 10 FECDLO CC[N@@H+](Cc1nnnn1C1CC1)Cc1cc(Br)ccc1O ZINC000076118481 542235010 /nfs/dbraw/zinc/23/50/10/542235010.db2.gz RHPFPPXVFYDARL-UHFFFAOYSA-N 1 2 352.236 2.498 20 10 FECDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000127991015 544026098 /nfs/dbraw/zinc/02/60/98/544026098.db2.gz XDKPRCMAEFPGAP-UHFFFAOYSA-N 1 2 363.465 2.490 20 10 FECDLO CN(C)c1[nH+]cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1C ZINC000805187595 674325007 /nfs/dbraw/zinc/32/50/07/674325007.db2.gz RIFRNYSXTIWVAP-UHFFFAOYSA-N 1 2 372.256 2.498 20 10 FECDLO CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(Cl)c1O ZINC000806144855 674368916 /nfs/dbraw/zinc/36/89/16/674368916.db2.gz WELQTFUJZMPCAQ-AWEZNQCLSA-N 1 2 373.862 2.194 20 10 FECDLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000172614164 546260558 /nfs/dbraw/zinc/26/05/58/546260558.db2.gz ZVFBBXDKTIFOAA-OAHLLOKOSA-N 1 2 366.469 2.105 20 10 FECDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000183078580 547597943 /nfs/dbraw/zinc/59/79/43/547597943.db2.gz AJLGLGSMUNFRPC-HXUWFJFHSA-N 1 2 370.449 2.308 20 10 FECDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000183078580 547597948 /nfs/dbraw/zinc/59/79/48/547597948.db2.gz AJLGLGSMUNFRPC-HXUWFJFHSA-N 1 2 370.449 2.308 20 10 FECDLO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)c(F)c1O ZINC000187794158 548263752 /nfs/dbraw/zinc/26/37/52/548263752.db2.gz JSMGDGNVKSYKKB-JTQLQIEISA-N 1 2 360.426 2.278 20 10 FECDLO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000191201655 548341305 /nfs/dbraw/zinc/34/13/05/548341305.db2.gz UFJKEGHPXYLNRV-LBPRGKRZSA-N 1 2 355.429 2.312 20 10 FECDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000264443541 549996007 /nfs/dbraw/zinc/99/60/07/549996007.db2.gz OMYZTLACPAEXHM-MRXNPFEDSA-N 1 2 354.498 2.460 20 10 FECDLO O=C1/C(=C/c2cccc(F)c2F)SC(=S)N1CC[NH+]1CCOCC1 ZINC000264492815 549996399 /nfs/dbraw/zinc/99/63/99/549996399.db2.gz PWNIGONLHQZPGG-RAXLEYEMSA-N 1 2 370.446 2.498 20 10 FECDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cccc(O)c3O)c2)CC1 ZINC000275679468 550573413 /nfs/dbraw/zinc/57/34/13/550573413.db2.gz WVBNCGIEFBZBMA-UHFFFAOYSA-N 1 2 369.421 2.014 20 10 FECDLO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1O ZINC000276932142 550612654 /nfs/dbraw/zinc/61/26/54/550612654.db2.gz OMPSEYRCTLKNTJ-HZMBPMFUSA-N 1 2 350.369 2.250 20 10 FECDLO CN(C)c1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c[nH+]1 ZINC000277255335 550648280 /nfs/dbraw/zinc/64/82/80/550648280.db2.gz IGWDZLCHWHUFCJ-UHFFFAOYSA-N 1 2 374.828 2.471 20 10 FECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cccc(Br)c1O ZINC000277327666 550656819 /nfs/dbraw/zinc/65/68/19/550656819.db2.gz DXRHRVUZCYWOBL-SNVBAGLBSA-N 1 2 353.220 2.239 20 10 FECDLO COc1c(O)c(CNCC2([NH+]3CCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000278917684 550835715 /nfs/dbraw/zinc/83/57/15/550835715.db2.gz UJSZNVJLPGKAKL-UHFFFAOYSA-N 1 2 365.430 2.044 20 10 FECDLO CCn1cc(CC[N@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)cn1 ZINC000285046005 551696298 /nfs/dbraw/zinc/69/62/98/551696298.db2.gz NVGYRBZDMSVDKF-UHFFFAOYSA-N 1 2 351.834 2.480 20 10 FECDLO CCn1cc(CC[N@@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)cn1 ZINC000285046005 551696299 /nfs/dbraw/zinc/69/62/99/551696299.db2.gz NVGYRBZDMSVDKF-UHFFFAOYSA-N 1 2 351.834 2.480 20 10 FECDLO CS(=O)(=O)NCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000289320644 552300871 /nfs/dbraw/zinc/30/08/71/552300871.db2.gz FPPAMCFDLGJVSA-UHFFFAOYSA-N 1 2 367.298 2.460 20 10 FECDLO CN1C(=O)NC2(CC[NH+](Cc3cc(Cl)cc(Cl)c3O)CC2)C1=O ZINC000289574061 552343243 /nfs/dbraw/zinc/34/32/43/552343243.db2.gz ZXKLZNIFCSYYTN-UHFFFAOYSA-N 1 2 358.225 2.215 20 10 FECDLO COCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000290661572 552515088 /nfs/dbraw/zinc/51/50/88/552515088.db2.gz ZSASWOPEOQLOBT-IBGZPJMESA-N 1 2 366.527 2.312 20 10 FECDLO COCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000290661572 552515090 /nfs/dbraw/zinc/51/50/90/552515090.db2.gz ZSASWOPEOQLOBT-IBGZPJMESA-N 1 2 366.527 2.312 20 10 FECDLO CON(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000291373915 552619992 /nfs/dbraw/zinc/61/99/92/552619992.db2.gz ALBNBQFKGMGPTB-UHFFFAOYSA-N 1 2 354.834 2.480 20 10 FECDLO COc1ccc(O)c(C[N@@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000293772160 552855060 /nfs/dbraw/zinc/85/50/60/552855060.db2.gz BGEAHHLMTBQVDK-UHFFFAOYSA-N 1 2 364.442 2.223 20 10 FECDLO COc1ccc(O)c(C[N@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000293772160 552855062 /nfs/dbraw/zinc/85/50/62/552855062.db2.gz BGEAHHLMTBQVDK-UHFFFAOYSA-N 1 2 364.442 2.223 20 10 FECDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc[nH+]1 ZINC000294594503 552918762 /nfs/dbraw/zinc/91/87/62/552918762.db2.gz ZMETZZFFHXRYDT-HNNXBMFYSA-N 1 2 371.485 2.090 20 10 FECDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)[nH+]cn1 ZINC000294594503 552918763 /nfs/dbraw/zinc/91/87/63/552918763.db2.gz ZMETZZFFHXRYDT-HNNXBMFYSA-N 1 2 371.485 2.090 20 10 FECDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000294889568 552941621 /nfs/dbraw/zinc/94/16/21/552941621.db2.gz WIEYCIPIRQHELC-HSZRJFAPSA-N 1 2 359.875 2.322 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1O ZINC000295271538 552979761 /nfs/dbraw/zinc/97/97/61/552979761.db2.gz HSIHYKDPPJVFPI-SNVBAGLBSA-N 1 2 351.790 2.304 20 10 FECDLO CC[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000296371810 553149374 /nfs/dbraw/zinc/14/93/74/553149374.db2.gz JFVFSOIYJZZANB-JSGCOSHPSA-N 1 2 368.282 2.289 20 10 FECDLO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)CC2)cc1 ZINC000364481942 555321752 /nfs/dbraw/zinc/32/17/52/555321752.db2.gz JUQSJHOHFCJRMJ-CYBMUJFWSA-N 1 2 359.392 2.274 20 10 FECDLO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)CC2)cc1 ZINC000364481942 555321754 /nfs/dbraw/zinc/32/17/54/555321754.db2.gz JUQSJHOHFCJRMJ-CYBMUJFWSA-N 1 2 359.392 2.274 20 10 FECDLO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2=O)n1 ZINC000368621888 556366040 /nfs/dbraw/zinc/36/60/40/556366040.db2.gz BGLISPFBJIHWMM-INIZCTEOSA-N 1 2 360.845 2.425 20 10 FECDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000371033385 557052567 /nfs/dbraw/zinc/05/25/67/557052567.db2.gz BEFKYQBGVZQVRH-QGZVFWFLSA-N 1 2 351.454 2.495 20 10 FECDLO COc1ccc(O)c(CN2CCNC(=O)[C@@H]2c2c(C)[nH+]c3ccccn32)c1 ZINC000371426782 557183732 /nfs/dbraw/zinc/18/37/32/557183732.db2.gz RDFCWUULMVQOGF-IBGZPJMESA-N 1 2 366.421 2.030 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1O ZINC000371886154 557319707 /nfs/dbraw/zinc/31/97/07/557319707.db2.gz PJRSQILLFTWGEH-MRXNPFEDSA-N 1 2 366.458 2.274 20 10 FECDLO Cn1cc(C(=O)NC2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)cn1 ZINC000372811270 557566660 /nfs/dbraw/zinc/56/66/60/557566660.db2.gz COXDCKRHSLHJDI-UHFFFAOYSA-N 1 2 366.824 2.313 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1nc(C)cs1)cc2=O ZINC000184151367 672491303 /nfs/dbraw/zinc/49/13/03/672491303.db2.gz IJLHMNQOCYZZNM-JTQLQIEISA-N 1 2 361.427 2.227 20 10 FECDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(N3CCOC[C@H]3C)CC2)c1O ZINC000821278504 675424532 /nfs/dbraw/zinc/42/45/32/675424532.db2.gz BQDNFLBNDCCYKA-CYBMUJFWSA-N 1 2 350.434 2.419 20 10 FECDLO CC(=O)c1cc(F)cc(CN2CCC([N@H+]3CCOC[C@H]3C)CC2)c1O ZINC000821278504 675424534 /nfs/dbraw/zinc/42/45/34/675424534.db2.gz BQDNFLBNDCCYKA-CYBMUJFWSA-N 1 2 350.434 2.419 20 10 FECDLO CC(=O)c1cc(F)cc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1O ZINC000821278504 675424536 /nfs/dbraw/zinc/42/45/36/675424536.db2.gz BQDNFLBNDCCYKA-CYBMUJFWSA-N 1 2 350.434 2.419 20 10 FECDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000761226269 680715578 /nfs/dbraw/zinc/71/55/78/680715578.db2.gz NPKKMHWQQWDMEW-NSHDSACASA-N 1 2 354.769 2.010 20 10 FECDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000761226269 680715579 /nfs/dbraw/zinc/71/55/79/680715579.db2.gz NPKKMHWQQWDMEW-NSHDSACASA-N 1 2 354.769 2.010 20 10 FECDLO O=C(NCC[N@@H+]1CCCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000836473139 680474568 /nfs/dbraw/zinc/47/45/68/680474568.db2.gz JMVICIUNAHBHCS-UHFFFAOYSA-N 1 2 362.257 2.221 20 10 FECDLO O=C(NCC[N@H+]1CCCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000836473139 680474571 /nfs/dbraw/zinc/47/45/71/680474571.db2.gz JMVICIUNAHBHCS-UHFFFAOYSA-N 1 2 362.257 2.221 20 10 FECDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845914261 681161908 /nfs/dbraw/zinc/16/19/08/681161908.db2.gz HQBYDHKXFYOWNP-LBPRGKRZSA-N 1 2 365.817 2.395 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1O ZINC000775744000 681331435 /nfs/dbraw/zinc/33/14/35/681331435.db2.gz ISLLELLDNVEWTI-CYBMUJFWSA-N 1 2 355.232 2.490 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c1O ZINC000775744000 681331437 /nfs/dbraw/zinc/33/14/37/681331437.db2.gz ISLLELLDNVEWTI-CYBMUJFWSA-N 1 2 355.232 2.490 20 10 FECDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776001694 681355582 /nfs/dbraw/zinc/35/55/82/681355582.db2.gz QQZKJQBJKPGRKU-KDOFPFPSSA-N 1 2 350.434 2.436 20 10 FECDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776001694 681355587 /nfs/dbraw/zinc/35/55/87/681355587.db2.gz QQZKJQBJKPGRKU-KDOFPFPSSA-N 1 2 350.434 2.436 20 10 FECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000851841867 682157619 /nfs/dbraw/zinc/15/76/19/682157619.db2.gz YPTYMHNGWFOMSX-MLGOLLRUSA-N 1 2 357.834 2.072 20 10 FECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000851841867 682157620 /nfs/dbraw/zinc/15/76/20/682157620.db2.gz YPTYMHNGWFOMSX-MLGOLLRUSA-N 1 2 357.834 2.072 20 10 FECDLO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1O ZINC000858434413 682967858 /nfs/dbraw/zinc/96/78/58/682967858.db2.gz GKDWCTWRNGGTQE-QPUJVOFHSA-N 1 2 358.211 2.412 20 10 FECDLO Cn1nnc2c1C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)CC2 ZINC000922992162 683815382 /nfs/dbraw/zinc/81/53/82/683815382.db2.gz PLHLWUPQHHCXTO-SNVBAGLBSA-N 1 2 355.211 2.069 20 10 FECDLO CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C[NH+]1CCOCC1 ZINC000910573099 685078671 /nfs/dbraw/zinc/07/86/71/685078671.db2.gz OEJKHCPUUPVSOR-UHFFFAOYSA-N 1 2 364.467 2.495 20 10 FECDLO CC(=O)NCC[N@H+](Cc1ccc(C)cc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000877188929 686337884 /nfs/dbraw/zinc/33/78/84/686337884.db2.gz IMWCUDVCHCZUJR-CQSZACIVSA-N 1 2 350.459 2.369 20 10 FECDLO CC(=O)NCC[N@@H+](Cc1ccc(C)cc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000877188929 686337889 /nfs/dbraw/zinc/33/78/89/686337889.db2.gz IMWCUDVCHCZUJR-CQSZACIVSA-N 1 2 350.459 2.369 20 10 FECDLO O=C1C[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CN1C1CC1 ZINC000883158693 687579059 /nfs/dbraw/zinc/57/90/59/687579059.db2.gz OURVFLBWTHOXNT-VIFPVBQESA-N 1 2 357.223 2.394 20 10 FECDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000895229440 689680475 /nfs/dbraw/zinc/68/04/75/689680475.db2.gz VOWIPWOVAXHTPK-JTQLQIEISA-N 1 2 355.211 2.407 20 10 FECDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000895229440 689680477 /nfs/dbraw/zinc/68/04/77/689680477.db2.gz VOWIPWOVAXHTPK-JTQLQIEISA-N 1 2 355.211 2.407 20 10 FECDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)O1 ZINC000897600430 690046976 /nfs/dbraw/zinc/04/69/76/690046976.db2.gz GXDMQVGMIBUSKW-TXEJJXNPSA-N 1 2 364.467 2.494 20 10 FECDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)O1 ZINC000897600430 690046979 /nfs/dbraw/zinc/04/69/79/690046979.db2.gz GXDMQVGMIBUSKW-TXEJJXNPSA-N 1 2 364.467 2.494 20 10 FECDLO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)CCC1 ZINC000897702800 690067233 /nfs/dbraw/zinc/06/72/33/690067233.db2.gz UNXDJARQQKUPLT-GOSISDBHSA-N 1 2 355.381 2.341 20 10 FECDLO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)CCC1 ZINC000897702800 690067234 /nfs/dbraw/zinc/06/72/34/690067234.db2.gz UNXDJARQQKUPLT-GOSISDBHSA-N 1 2 355.381 2.341 20 10 FECDLO CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000128627059 544063870 /nfs/dbraw/zinc/06/38/70/544063870.db2.gz SDEVQXLIVMYVOH-HNNXBMFYSA-N 1 2 357.433 2.365 20 10 FECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c1O ZINC000267452762 550031676 /nfs/dbraw/zinc/03/16/76/550031676.db2.gz NJAKNELUJDRBIO-UHFFFAOYSA-N 1 2 371.412 2.155 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC=C(C(F)(F)F)CC1)cc2=O ZINC000270228145 550254942 /nfs/dbraw/zinc/25/49/42/550254942.db2.gz GIFBWMHMVFYSMD-UHFFFAOYSA-N 1 2 370.331 2.306 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC=C(C(F)(F)F)CC1)cc2=O ZINC000270228145 550254944 /nfs/dbraw/zinc/25/49/44/550254944.db2.gz GIFBWMHMVFYSMD-UHFFFAOYSA-N 1 2 370.331 2.306 20 10 FECDLO Nc1[nH+]cnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1Cl ZINC000273135094 550486817 /nfs/dbraw/zinc/48/68/17/550486817.db2.gz SIDPFMRGJZVNMS-UHFFFAOYSA-N 1 2 351.813 2.425 20 10 FECDLO Nc1nc[nH+]c(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1Cl ZINC000273135094 550486819 /nfs/dbraw/zinc/48/68/19/550486819.db2.gz SIDPFMRGJZVNMS-UHFFFAOYSA-N 1 2 351.813 2.425 20 10 FECDLO Oc1ccc(Br)cc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273733197 550509411 /nfs/dbraw/zinc/50/94/11/550509411.db2.gz KSHTXWSDRDKODI-UHFFFAOYSA-N 1 2 367.222 2.406 20 10 FECDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cccc(Br)c1O ZINC000277327663 550657041 /nfs/dbraw/zinc/65/70/41/550657041.db2.gz DXRHRVUZCYWOBL-JTQLQIEISA-N 1 2 353.220 2.239 20 10 FECDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000278266050 550766925 /nfs/dbraw/zinc/76/69/25/550766925.db2.gz ITASTGOWQOYSMB-BBRMVZONSA-N 1 2 371.861 2.094 20 10 FECDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000278266050 550766927 /nfs/dbraw/zinc/76/69/27/550766927.db2.gz ITASTGOWQOYSMB-BBRMVZONSA-N 1 2 371.861 2.094 20 10 FECDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000278266056 550767150 /nfs/dbraw/zinc/76/71/50/550767150.db2.gz ITASTGOWQOYSMB-CZUORRHYSA-N 1 2 371.861 2.094 20 10 FECDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000278266056 550767151 /nfs/dbraw/zinc/76/71/51/550767151.db2.gz ITASTGOWQOYSMB-CZUORRHYSA-N 1 2 371.861 2.094 20 10 FECDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000278269958 550767260 /nfs/dbraw/zinc/76/72/60/550767260.db2.gz RKQRAEMGJKUMGR-ZDUSSCGKSA-N 1 2 372.443 2.098 20 10 FECDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000278269958 550767262 /nfs/dbraw/zinc/76/72/62/550767262.db2.gz RKQRAEMGJKUMGR-ZDUSSCGKSA-N 1 2 372.443 2.098 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278571829 550800043 /nfs/dbraw/zinc/80/00/43/550800043.db2.gz CVWGVPQEVBLNDT-SNVBAGLBSA-N 1 2 363.336 2.377 20 10 FECDLO COc1c(O)c(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278571829 550800045 /nfs/dbraw/zinc/80/00/45/550800045.db2.gz CVWGVPQEVBLNDT-SNVBAGLBSA-N 1 2 363.336 2.377 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280272216 550975716 /nfs/dbraw/zinc/97/57/16/550975716.db2.gz MPTCYIGLDHXOSO-QGZVFWFLSA-N 1 2 352.387 2.079 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280272216 550975717 /nfs/dbraw/zinc/97/57/17/550975717.db2.gz MPTCYIGLDHXOSO-QGZVFWFLSA-N 1 2 352.387 2.079 20 10 FECDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2ccc(F)cc2O)CC1 ZINC000296639498 553191655 /nfs/dbraw/zinc/19/16/55/553191655.db2.gz XZCWCXUFQVHMMI-OIRASMEMSA-N 1 2 357.447 2.369 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCc3nc(C)no3)CC2)cc1 ZINC000363631987 555150945 /nfs/dbraw/zinc/15/09/45/555150945.db2.gz VMOGDFFKHNSNBJ-UHFFFAOYSA-N 1 2 358.442 2.447 20 10 FECDLO OC1CCN(c2ccc(CNc3cccc(-n4cc[nH+]c4)n3)cc2F)CC1 ZINC000363834557 555195562 /nfs/dbraw/zinc/19/55/62/555195562.db2.gz WHNRFFZSSDWJDH-UHFFFAOYSA-N 1 2 367.428 2.980 20 10 FECDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000365266343 555527137 /nfs/dbraw/zinc/52/71/37/555527137.db2.gz KZWBDOKQPQWNLJ-JTQLQIEISA-N 1 2 368.796 2.400 20 10 FECDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000365266343 555527139 /nfs/dbraw/zinc/52/71/39/555527139.db2.gz KZWBDOKQPQWNLJ-JTQLQIEISA-N 1 2 368.796 2.400 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H](OC)c3cnn(C)c3)CC2)cc1 ZINC000373949796 557794477 /nfs/dbraw/zinc/79/44/77/557794477.db2.gz JYOUHCXTDKNJIM-IBGZPJMESA-N 1 2 372.469 2.244 20 10 FECDLO C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000378357792 558537800 /nfs/dbraw/zinc/53/78/00/558537800.db2.gz XGTMUGRAENQRCS-OAHLLOKOSA-N 1 2 368.865 2.166 20 10 FECDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCSc1nccs1 ZINC000806959552 674398173 /nfs/dbraw/zinc/39/81/73/674398173.db2.gz WXSWNZOPMOEWCA-KGLIPLIRSA-N 1 2 370.544 2.130 20 10 FECDLO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816569520 675065795 /nfs/dbraw/zinc/06/57/95/675065795.db2.gz OIZMVQMMQVEPSC-UHFFFAOYSA-N 1 2 364.870 2.336 20 10 FECDLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000711667129 673069004 /nfs/dbraw/zinc/06/90/04/673069004.db2.gz WNJGGICGVDDSIQ-HQJQHLMTSA-N 1 2 368.680 2.331 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1Cl ZINC000824542488 675609561 /nfs/dbraw/zinc/60/95/61/675609561.db2.gz UBJTXDJKRRCDQX-CYBMUJFWSA-N 1 2 351.878 2.139 20 10 FECDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC12COC2 ZINC000830268834 677032968 /nfs/dbraw/zinc/03/29/68/677032968.db2.gz BPKVZQZMIIVRFU-OAHLLOKOSA-N 1 2 367.829 2.260 20 10 FECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC12COC2 ZINC000830268834 677032970 /nfs/dbraw/zinc/03/29/70/677032970.db2.gz BPKVZQZMIIVRFU-OAHLLOKOSA-N 1 2 367.829 2.260 20 10 FECDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCn2cc[nH+]c2C1 ZINC000762188476 680744056 /nfs/dbraw/zinc/74/40/56/680744056.db2.gz JLLYMJJMTXJDNX-CYBMUJFWSA-N 1 2 360.801 2.021 20 10 FECDLO CN(C)c1[nH+]cc(/C=C2\c3cc(Br)cnc3N(C)C2=O)n1C ZINC000840718318 680839488 /nfs/dbraw/zinc/83/94/88/680839488.db2.gz CWONOSFHMSQJIR-WUXMJOGZSA-N 1 2 362.231 2.161 20 10 FECDLO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756482150 680480833 /nfs/dbraw/zinc/48/08/33/680480833.db2.gz GZVBXFYYBPHITP-NSHDSACASA-N 1 2 356.394 2.300 20 10 FECDLO COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756528457 680483077 /nfs/dbraw/zinc/48/30/77/680483077.db2.gz MSQGJGAIMADPQU-CQSZACIVSA-N 1 2 350.459 2.330 20 10 FECDLO COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756528457 680483080 /nfs/dbraw/zinc/48/30/80/680483080.db2.gz MSQGJGAIMADPQU-CQSZACIVSA-N 1 2 350.459 2.330 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Br)c(F)cc1O ZINC000756569539 680486490 /nfs/dbraw/zinc/48/64/90/680486490.db2.gz QJBWQWZJOONACI-QWRGUYRKSA-N 1 2 360.271 2.190 20 10 FECDLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484945 680610069 /nfs/dbraw/zinc/61/00/69/680610069.db2.gz JKRQNZOSTQEAEB-MRXNPFEDSA-N 1 2 362.861 2.331 20 10 FECDLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484945 680610071 /nfs/dbraw/zinc/61/00/71/680610071.db2.gz JKRQNZOSTQEAEB-MRXNPFEDSA-N 1 2 362.861 2.331 20 10 FECDLO Cc1nccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484945 680610075 /nfs/dbraw/zinc/61/00/75/680610075.db2.gz JKRQNZOSTQEAEB-MRXNPFEDSA-N 1 2 362.861 2.331 20 10 FECDLO Cc1nccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484945 680610078 /nfs/dbraw/zinc/61/00/78/680610078.db2.gz JKRQNZOSTQEAEB-MRXNPFEDSA-N 1 2 362.861 2.331 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000770391204 681014735 /nfs/dbraw/zinc/01/47/35/681014735.db2.gz MIUAIVVTCMBKHV-LBPRGKRZSA-N 1 2 371.231 2.190 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000770391204 681014736 /nfs/dbraw/zinc/01/47/36/681014736.db2.gz MIUAIVVTCMBKHV-LBPRGKRZSA-N 1 2 371.231 2.190 20 10 FECDLO CCNC(=O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000777444586 681494452 /nfs/dbraw/zinc/49/44/52/681494452.db2.gz NYXJUAHKKTZJGY-UHFFFAOYSA-N 1 2 366.053 2.143 20 10 FECDLO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000786952269 682424310 /nfs/dbraw/zinc/42/43/10/682424310.db2.gz UBDMHVFUIUZLIA-QMMMGPOBSA-N 1 2 366.252 2.379 20 10 FECDLO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Br)cc(F)c1O ZINC000790738556 682698340 /nfs/dbraw/zinc/69/83/40/682698340.db2.gz HIWHVRDVOZAEML-QMMMGPOBSA-N 1 2 371.210 2.266 20 10 FECDLO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1O ZINC000858434804 682968183 /nfs/dbraw/zinc/96/81/83/682968183.db2.gz PZVDPIIYRDDCCR-PRHODGIISA-N 1 2 358.211 2.412 20 10 FECDLO COc1cc(Cl)cc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1O ZINC000877815729 686470662 /nfs/dbraw/zinc/47/06/62/686470662.db2.gz OZEUQSMKQFWSSM-IYBDPMFKSA-N 1 2 359.875 2.311 20 10 FECDLO COc1cc(Cl)cc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1O ZINC000877815729 686470666 /nfs/dbraw/zinc/47/06/66/686470666.db2.gz OZEUQSMKQFWSSM-IYBDPMFKSA-N 1 2 359.875 2.311 20 10 FECDLO O=C(NCc1cccc(Cl)c1O)c1cccn1CC[NH+]1CCOCC1 ZINC000890761443 688963164 /nfs/dbraw/zinc/96/31/64/688963164.db2.gz SGHUGTKZFVGRLR-UHFFFAOYSA-N 1 2 363.845 2.109 20 10 FECDLO O=C1CC[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)CC[C@H]2N1 ZINC000895258308 689685825 /nfs/dbraw/zinc/68/58/25/689685825.db2.gz CFSDQMWBQIIXJE-TVQRCGJNSA-N 1 2 357.223 2.394 20 10 FECDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)CC[C@H]2N1 ZINC000895258308 689685828 /nfs/dbraw/zinc/68/58/28/689685828.db2.gz CFSDQMWBQIIXJE-TVQRCGJNSA-N 1 2 357.223 2.394 20 10 FECDLO O=C(NCc1cn2ccccc2[nH+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000054786493 540610001 /nfs/dbraw/zinc/61/00/01/540610001.db2.gz OAGQTEJIJYLYPM-UHFFFAOYSA-N 1 2 365.437 2.170 20 10 FECDLO O=C(NCCC[NH+]1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000806274723 674371702 /nfs/dbraw/zinc/37/17/02/674371702.db2.gz MFBDHBDVRPUYNC-UHFFFAOYSA-N 1 2 362.257 2.221 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000180607417 547141380 /nfs/dbraw/zinc/14/13/80/547141380.db2.gz KCMOCFDTDABMRS-PDFOZTTASA-N 1 2 368.433 2.301 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3ncc(C)s3)CC2)cc1 ZINC000185009123 547916485 /nfs/dbraw/zinc/91/64/85/547916485.db2.gz KYDUUZJMJTVNLS-HNNXBMFYSA-N 1 2 374.510 2.460 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000187543099 548260139 /nfs/dbraw/zinc/26/01/39/548260139.db2.gz JACAQBBRTRBHJJ-OAHLLOKOSA-N 1 2 358.232 2.155 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000187543099 548260144 /nfs/dbraw/zinc/26/01/44/548260144.db2.gz JACAQBBRTRBHJJ-OAHLLOKOSA-N 1 2 358.232 2.155 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@@]23CCOC3=O)c1O ZINC000190033088 548316854 /nfs/dbraw/zinc/31/68/54/548316854.db2.gz JTWYWGJXDYCKGM-HNNXBMFYSA-N 1 2 356.216 2.445 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CCC[C@@]23CCOC3=O)c1O ZINC000190033088 548316859 /nfs/dbraw/zinc/31/68/59/548316859.db2.gz JTWYWGJXDYCKGM-HNNXBMFYSA-N 1 2 356.216 2.445 20 10 FECDLO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000263712476 549924101 /nfs/dbraw/zinc/92/41/01/549924101.db2.gz DMCADPSEKVHWSB-QGZVFWFLSA-N 1 2 354.498 2.460 20 10 FECDLO COC(=O)C[N@H+](CCCc1nc(C)no1)Cc1cc(Cl)ccc1O ZINC000268719749 550108150 /nfs/dbraw/zinc/10/81/50/550108150.db2.gz ZNRBQSFGRVODTM-UHFFFAOYSA-N 1 2 353.806 2.345 20 10 FECDLO COC(=O)C[N@@H+](CCCc1nc(C)no1)Cc1cc(Cl)ccc1O ZINC000268719749 550108152 /nfs/dbraw/zinc/10/81/52/550108152.db2.gz ZNRBQSFGRVODTM-UHFFFAOYSA-N 1 2 353.806 2.345 20 10 FECDLO COc1cc(O)c(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000271069709 550337662 /nfs/dbraw/zinc/33/76/62/550337662.db2.gz DOGUAHOYNRXFNL-UHFFFAOYSA-N 1 2 365.451 2.445 20 10 FECDLO COc1cc(O)c(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000271069709 550337664 /nfs/dbraw/zinc/33/76/64/550337664.db2.gz DOGUAHOYNRXFNL-UHFFFAOYSA-N 1 2 365.451 2.445 20 10 FECDLO CC(=O)NCC[N@H+](Cc1cccc(C)c1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272870358 550474542 /nfs/dbraw/zinc/47/45/42/550474542.db2.gz LWWGAMTZOWKOHT-AWEZNQCLSA-N 1 2 350.459 2.369 20 10 FECDLO CC(=O)NCC[N@@H+](Cc1cccc(C)c1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272870358 550474543 /nfs/dbraw/zinc/47/45/43/550474543.db2.gz LWWGAMTZOWKOHT-AWEZNQCLSA-N 1 2 350.459 2.369 20 10 FECDLO C[N@H+](CCCCO)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000276379897 550578287 /nfs/dbraw/zinc/57/82/87/550578287.db2.gz LCVRHADVTGZWBQ-UHFFFAOYSA-N 1 2 366.417 2.105 20 10 FECDLO C[N@@H+](CCCCO)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000276379897 550578289 /nfs/dbraw/zinc/57/82/89/550578289.db2.gz LCVRHADVTGZWBQ-UHFFFAOYSA-N 1 2 366.417 2.105 20 10 FECDLO Cc1cc(N2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)nc(C)[nH+]1 ZINC000276598897 550579429 /nfs/dbraw/zinc/57/94/29/550579429.db2.gz OBDJXNGDUMEUFT-UHFFFAOYSA-N 1 2 360.389 2.043 20 10 FECDLO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922677 550611279 /nfs/dbraw/zinc/61/12/79/550611279.db2.gz MTXFZTXEUCHGJY-DOMZBBRYSA-N 1 2 355.429 2.264 20 10 FECDLO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922677 550611277 /nfs/dbraw/zinc/61/12/77/550611277.db2.gz MTXFZTXEUCHGJY-DOMZBBRYSA-N 1 2 355.429 2.264 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000278529370 550795695 /nfs/dbraw/zinc/79/56/95/550795695.db2.gz URPOSGADXLQKOP-UHFFFAOYSA-N 1 2 358.398 2.022 20 10 FECDLO COc1c(O)c(CN2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000278529370 550795697 /nfs/dbraw/zinc/79/56/97/550795697.db2.gz URPOSGADXLQKOP-UHFFFAOYSA-N 1 2 358.398 2.022 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)CCc3[nH]cc[nH+]3)cc2F)C[C@H](C)O1 ZINC000279144297 550858699 /nfs/dbraw/zinc/85/86/99/550858699.db2.gz GOKMRDPCIROIEM-OKILXGFUSA-N 1 2 360.433 2.411 20 10 FECDLO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(F)c(F)c1O ZINC000285724477 551801500 /nfs/dbraw/zinc/80/15/00/551801500.db2.gz QIKYSXXETIAPDV-WDEREUQCSA-N 1 2 360.426 2.278 20 10 FECDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1cccc(F)c1O)CCO2 ZINC000293773005 552855040 /nfs/dbraw/zinc/85/50/40/552855040.db2.gz BILVFWKPGXTMQV-UHFFFAOYSA-N 1 2 352.406 2.353 20 10 FECDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1cccc(F)c1O)CCO2 ZINC000293773005 552855042 /nfs/dbraw/zinc/85/50/42/552855042.db2.gz BILVFWKPGXTMQV-UHFFFAOYSA-N 1 2 352.406 2.353 20 10 FECDLO CN(C)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccccn2)c(C(F)(F)F)c1 ZINC000294692636 552926981 /nfs/dbraw/zinc/92/69/81/552926981.db2.gz BUKAZXKADKAOBS-OAHLLOKOSA-N 1 2 352.360 2.483 20 10 FECDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295050407 552954250 /nfs/dbraw/zinc/95/42/50/552954250.db2.gz OPDFVPOGGBBYGI-IBGZPJMESA-N 1 2 362.470 2.066 20 10 FECDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295050407 552954253 /nfs/dbraw/zinc/95/42/53/552954253.db2.gz OPDFVPOGGBBYGI-IBGZPJMESA-N 1 2 362.470 2.066 20 10 FECDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2ccc(F)cc2O)CC1 ZINC000296639500 553191600 /nfs/dbraw/zinc/19/16/00/553191600.db2.gz XZCWCXUFQVHMMI-YYUOZPCZSA-N 1 2 357.447 2.369 20 10 FECDLO CCn1cc[nH+]c1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000298273982 553406774 /nfs/dbraw/zinc/40/67/74/553406774.db2.gz BLHDMTSSEGGPIO-UHFFFAOYSA-N 1 2 357.458 2.081 20 10 FECDLO O=C(NCc1ccccc1O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299500377 553572166 /nfs/dbraw/zinc/57/21/66/553572166.db2.gz LOQPBLKAUNWFLW-GOSISDBHSA-N 1 2 355.438 2.092 20 10 FECDLO O=C(NCc1ccccc1O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299500377 553572168 /nfs/dbraw/zinc/57/21/68/553572168.db2.gz LOQPBLKAUNWFLW-GOSISDBHSA-N 1 2 355.438 2.092 20 10 FECDLO CCc1nc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000363085776 555027266 /nfs/dbraw/zinc/02/72/66/555027266.db2.gz ITVMLFXZCGMXQH-INIZCTEOSA-N 1 2 371.485 2.194 20 10 FECDLO CCc1nc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000363085776 555027268 /nfs/dbraw/zinc/02/72/68/555027268.db2.gz ITVMLFXZCGMXQH-INIZCTEOSA-N 1 2 371.485 2.194 20 10 FECDLO CCCNC(=O)CCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000363188422 555049324 /nfs/dbraw/zinc/04/93/24/555049324.db2.gz JWBWDGVMFAMWBS-UHFFFAOYSA-N 1 2 361.486 2.429 20 10 FECDLO COc1ccc(O)c(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000363412440 555099314 /nfs/dbraw/zinc/09/93/14/555099314.db2.gz ZFEDYGIVVJKJJT-UHFFFAOYSA-N 1 2 356.426 2.264 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCc3cnn(C)c3)CC2)cc1 ZINC000364058198 555241906 /nfs/dbraw/zinc/24/19/06/555241906.db2.gz VPBJZKRAVYFLCZ-UHFFFAOYSA-N 1 2 356.470 2.489 20 10 FECDLO CN1CCc2cc(CNC(=O)NCc3[nH+]ccn3CC(F)(F)F)ccc21 ZINC000364478049 555320961 /nfs/dbraw/zinc/32/09/61/555320961.db2.gz RVVPCVPRXWNHCY-UHFFFAOYSA-N 1 2 367.375 2.437 20 10 FECDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000368421252 556304302 /nfs/dbraw/zinc/30/43/02/556304302.db2.gz CEBGIURPCWRPJA-SJORKVTESA-N 1 2 355.438 2.359 20 10 FECDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C)c1O ZINC000371427826 557184020 /nfs/dbraw/zinc/18/40/20/557184020.db2.gz ZPWXVBWPTVCYJY-SFHVURJKSA-N 1 2 350.422 2.330 20 10 FECDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)c1O ZINC000371427826 557184025 /nfs/dbraw/zinc/18/40/25/557184025.db2.gz ZPWXVBWPTVCYJY-SFHVURJKSA-N 1 2 350.422 2.330 20 10 FECDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cccc(C)c1O ZINC000371427826 557184031 /nfs/dbraw/zinc/18/40/31/557184031.db2.gz ZPWXVBWPTVCYJY-SFHVURJKSA-N 1 2 350.422 2.330 20 10 FECDLO COc1cccc([C@H](NC(=O)c2cccc(O)c2O)c2[nH+]ccn2C)c1 ZINC000375667887 558064462 /nfs/dbraw/zinc/06/44/62/558064462.db2.gz AKHALXZXNVVZRI-INIZCTEOSA-N 1 2 353.378 2.359 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000376466760 558177142 /nfs/dbraw/zinc/17/71/42/558177142.db2.gz AERJINSSIOEVHR-UHFFFAOYSA-N 1 2 373.413 2.232 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)C[C@@H]3CCCO3)CC2)cc1 ZINC000377520788 558356584 /nfs/dbraw/zinc/35/65/84/558356584.db2.gz WNBXRIGLDMOKPC-SFHVURJKSA-N 1 2 368.499 2.105 20 10 FECDLO Cc1cc(Br)cc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)c1O ZINC000378530027 558576175 /nfs/dbraw/zinc/57/61/75/558576175.db2.gz FAABMLMDURLAAA-SNVBAGLBSA-N 1 2 367.247 2.165 20 10 FECDLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000079615601 670608115 /nfs/dbraw/zinc/60/81/15/670608115.db2.gz NUEFYULEJGIJTA-UHFFFAOYSA-N 1 2 361.873 2.498 20 10 FECDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707153045 673063251 /nfs/dbraw/zinc/06/32/51/673063251.db2.gz RVIFJNPVKRQQJX-NSHDSACASA-N 1 2 362.289 2.411 20 10 FECDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707153045 673063254 /nfs/dbraw/zinc/06/32/54/673063254.db2.gz RVIFJNPVKRQQJX-NSHDSACASA-N 1 2 362.289 2.411 20 10 FECDLO C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000827856114 675783683 /nfs/dbraw/zinc/78/36/83/675783683.db2.gz LTRHSYZLOXKVMQ-CQSZACIVSA-N 1 2 357.838 2.496 20 10 FECDLO C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000827856114 675783685 /nfs/dbraw/zinc/78/36/85/675783685.db2.gz LTRHSYZLOXKVMQ-CQSZACIVSA-N 1 2 357.838 2.496 20 10 FECDLO C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000827856112 675783815 /nfs/dbraw/zinc/78/38/15/675783815.db2.gz LTRHSYZLOXKVMQ-AWEZNQCLSA-N 1 2 357.838 2.496 20 10 FECDLO C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000827856112 675783817 /nfs/dbraw/zinc/78/38/17/675783817.db2.gz LTRHSYZLOXKVMQ-AWEZNQCLSA-N 1 2 357.838 2.496 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840919170 680853210 /nfs/dbraw/zinc/85/32/10/680853210.db2.gz WNLNRWIDOPEWIG-OAHLLOKOSA-N 1 2 365.905 2.483 20 10 FECDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000754153460 680340420 /nfs/dbraw/zinc/34/04/20/680340420.db2.gz IOLPYJZKJPRJSC-UHFFFAOYSA-N 1 2 373.494 2.016 20 10 FECDLO CCN(CC)c1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1F ZINC000769481210 680984557 /nfs/dbraw/zinc/98/45/57/680984557.db2.gz STXDKHUFVCTLBO-XMMPIXPASA-N 1 2 355.523 2.168 20 10 FECDLO COc1cccc(O)c1C[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000770380541 681014392 /nfs/dbraw/zinc/01/43/92/681014392.db2.gz NYPKKBGJRHBDJO-UHFFFAOYSA-N 1 2 362.451 2.183 20 10 FECDLO COc1cccc(O)c1C[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000770380541 681014393 /nfs/dbraw/zinc/01/43/93/681014393.db2.gz NYPKKBGJRHBDJO-UHFFFAOYSA-N 1 2 362.451 2.183 20 10 FECDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775650131 681321645 /nfs/dbraw/zinc/32/16/45/681321645.db2.gz QTFVOVPJIDZRFE-ZDUSSCGKSA-N 1 2 364.870 2.479 20 10 FECDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775650131 681321648 /nfs/dbraw/zinc/32/16/48/681321648.db2.gz QTFVOVPJIDZRFE-ZDUSSCGKSA-N 1 2 364.870 2.479 20 10 FECDLO CCC(CC)[C@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCOCC1 ZINC000790070607 682654417 /nfs/dbraw/zinc/65/44/17/682654417.db2.gz VYEJPFJODXOAQW-AWEZNQCLSA-N 1 2 354.422 2.104 20 10 FECDLO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1O ZINC000858434414 682967765 /nfs/dbraw/zinc/96/77/65/682967765.db2.gz GKDWCTWRNGGTQE-UFBFGSQYSA-N 1 2 358.211 2.412 20 10 FECDLO Oc1c(Br)cccc1C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877478139 686386088 /nfs/dbraw/zinc/38/60/88/686386088.db2.gz BIMJQAGQMBSVQY-ZDUSSCGKSA-N 1 2 367.247 2.215 20 10 FECDLO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)CC2 ZINC000882961433 687534240 /nfs/dbraw/zinc/53/42/40/687534240.db2.gz NGYZVJJPHCXKBG-LLVKDONJSA-N 1 2 355.211 2.298 20 10 FECDLO COC1CCN(CC[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883031038 687550327 /nfs/dbraw/zinc/55/03/27/687550327.db2.gz HMAIDYIXKGEDBE-UHFFFAOYSA-N 1 2 361.255 2.494 20 10 FECDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895392876 689709063 /nfs/dbraw/zinc/70/90/63/689709063.db2.gz UKLQTFCOHZKBQS-AWEZNQCLSA-N 1 2 362.195 2.058 20 10 FECDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895392876 689709065 /nfs/dbraw/zinc/70/90/65/689709065.db2.gz UKLQTFCOHZKBQS-AWEZNQCLSA-N 1 2 362.195 2.058 20 10 FECDLO O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000054285534 540580964 /nfs/dbraw/zinc/58/09/64/540580964.db2.gz BMETWYUBMLGLQJ-UHFFFAOYSA-N 1 2 363.421 2.034 20 10 FECDLO C[N@H+](Cc1nnnn1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758415 541742173 /nfs/dbraw/zinc/74/21/73/541742173.db2.gz BIUCAEJTUHCKRO-UHFFFAOYSA-N 1 2 364.453 2.131 20 10 FECDLO C[N@@H+](Cc1nnnn1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758415 541742177 /nfs/dbraw/zinc/74/21/77/541742177.db2.gz BIUCAEJTUHCKRO-UHFFFAOYSA-N 1 2 364.453 2.131 20 10 FECDLO O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076076625 542229436 /nfs/dbraw/zinc/22/94/36/542229436.db2.gz PCLKILWWAGUARP-QGZVFWFLSA-N 1 2 369.469 2.336 20 10 FECDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2c(O)cccc2Cl)CC1 ZINC000130193619 544142088 /nfs/dbraw/zinc/14/20/88/544142088.db2.gz HNAGNLSKQMNXHH-UHFFFAOYSA-N 1 2 368.861 2.279 20 10 FECDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2c(O)cccc2Cl)CC1 ZINC000130193619 544142091 /nfs/dbraw/zinc/14/20/91/544142091.db2.gz HNAGNLSKQMNXHH-UHFFFAOYSA-N 1 2 368.861 2.279 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1OC ZINC000160289585 546027335 /nfs/dbraw/zinc/02/73/35/546027335.db2.gz ZARKHHWOYVVVFJ-UHFFFAOYSA-N 1 2 374.412 2.393 20 10 FECDLO COc1cc(O)c(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1OC ZINC000160289585 546027338 /nfs/dbraw/zinc/02/73/38/546027338.db2.gz ZARKHHWOYVVVFJ-UHFFFAOYSA-N 1 2 374.412 2.393 20 10 FECDLO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccccn1 ZINC000177771160 546683396 /nfs/dbraw/zinc/68/33/96/546683396.db2.gz FZZOSNXFZJCWMX-UHFFFAOYSA-N 1 2 368.481 2.261 20 10 FECDLO CC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccccn1 ZINC000177771160 546683399 /nfs/dbraw/zinc/68/33/99/546683399.db2.gz FZZOSNXFZJCWMX-UHFFFAOYSA-N 1 2 368.481 2.261 20 10 FECDLO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc([N+](=O)[O-])ccc1O ZINC000273438471 550498598 /nfs/dbraw/zinc/49/85/98/550498598.db2.gz XTMILSIPKAMNAF-CYBMUJFWSA-N 1 2 358.398 2.383 20 10 FECDLO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000276875463 550606021 /nfs/dbraw/zinc/60/60/21/550606021.db2.gz FIMSEMVFHJDTBI-JTQLQIEISA-N 1 2 356.394 2.429 20 10 FECDLO CN(C)c1ccc(C[N@H+](Cc2nnnn2CC2CCOCC2)C2CC2)cc1 ZINC000277718574 550706005 /nfs/dbraw/zinc/70/60/05/550706005.db2.gz NGTOKADCTBEFLX-UHFFFAOYSA-N 1 2 370.501 2.330 20 10 FECDLO CN(C)c1ccc(C[N@@H+](Cc2nnnn2CC2CCOCC2)C2CC2)cc1 ZINC000277718574 550706007 /nfs/dbraw/zinc/70/60/07/550706007.db2.gz NGTOKADCTBEFLX-UHFFFAOYSA-N 1 2 370.501 2.330 20 10 FECDLO Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000287631473 552027728 /nfs/dbraw/zinc/02/77/28/552027728.db2.gz ZPXNTWIXISNDNQ-CRAIPNDOSA-N 1 2 368.481 2.424 20 10 FECDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000294751279 552931474 /nfs/dbraw/zinc/93/14/74/552931474.db2.gz IFLSLPSRUCOYOK-HSZRJFAPSA-N 1 2 359.875 2.322 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H](O)c3cccnc3)CC2)cc1 ZINC000367045110 556000668 /nfs/dbraw/zinc/00/06/68/556000668.db2.gz JKYJVYXUKKQKLA-IBGZPJMESA-N 1 2 355.438 2.251 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(=O)c(OC)co3)CC2)cc1 ZINC000369746040 556683749 /nfs/dbraw/zinc/68/37/49/556683749.db2.gz SABSUCSJFZNQJR-UHFFFAOYSA-N 1 2 372.421 2.398 20 10 FECDLO COc1ccc(O)c([C@@H](C)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c1 ZINC000372512627 557489593 /nfs/dbraw/zinc/48/95/93/557489593.db2.gz IUTUEWBPBVVGBB-OAHLLOKOSA-N 1 2 361.486 2.268 20 10 FECDLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000374902726 557948419 /nfs/dbraw/zinc/94/84/19/557948419.db2.gz NRWYYMJJJJYJON-LBPRGKRZSA-N 1 2 360.426 2.322 20 10 FECDLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000374902726 557948420 /nfs/dbraw/zinc/94/84/20/557948420.db2.gz NRWYYMJJJJYJON-LBPRGKRZSA-N 1 2 360.426 2.322 20 10 FECDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3cccc(C)c3O)CC2)c1=N ZINC000375013101 557964130 /nfs/dbraw/zinc/96/41/30/557964130.db2.gz OTMDBKJVRULLGD-UHFFFAOYSA-N 1 2 358.442 2.323 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000472242145 561021737 /nfs/dbraw/zinc/02/17/37/561021737.db2.gz STWLINDCQUEXHE-INIZCTEOSA-N 1 2 356.470 2.103 20 10 FECDLO CC[NH+]1CCN(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807839610 674431387 /nfs/dbraw/zinc/43/13/87/674431387.db2.gz QDJBPYZGHALCCH-UHFFFAOYSA-N 1 2 360.285 2.343 20 10 FECDLO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Br)c(F)cc1O ZINC000810243512 674537826 /nfs/dbraw/zinc/53/78/26/674537826.db2.gz HIHBZAWDBYPHRP-VIFPVBQESA-N 1 2 373.226 2.119 20 10 FECDLO CCC(CC)[C@H](C(=O)NCc1cc(OC)ccc1O)[NH+]1CCOCC1 ZINC000173581055 672353373 /nfs/dbraw/zinc/35/33/73/672353373.db2.gz DZOAETVNKACNND-GOSISDBHSA-N 1 2 350.459 2.154 20 10 FECDLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000190307353 672636262 /nfs/dbraw/zinc/63/62/62/672636262.db2.gz XIKQZJMUPNBVNL-UHFFFAOYSA-N 1 2 354.516 2.422 20 10 FECDLO CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708196819 673065013 /nfs/dbraw/zinc/06/50/13/673065013.db2.gz LJSOEKGVVOQQMG-UHFFFAOYSA-N 1 2 356.669 2.332 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1Cl ZINC000824905742 675628431 /nfs/dbraw/zinc/62/84/31/675628431.db2.gz BKWFLJJEQVMCAD-OAHLLOKOSA-N 1 2 365.905 2.483 20 10 FECDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825623029 675661235 /nfs/dbraw/zinc/66/12/35/675661235.db2.gz ZHVUOXXLCLNJNM-HOTGVXAUSA-N 1 2 351.443 2.197 20 10 FECDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825623029 675661236 /nfs/dbraw/zinc/66/12/36/675661236.db2.gz ZHVUOXXLCLNJNM-HOTGVXAUSA-N 1 2 351.443 2.197 20 10 FECDLO Cn1c(Cl)cnc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144294 680741526 /nfs/dbraw/zinc/74/15/26/680741526.db2.gz HFJGJCGGIHPPOR-UHFFFAOYSA-N 1 2 356.804 2.478 20 10 FECDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840909992 680852209 /nfs/dbraw/zinc/85/22/09/680852209.db2.gz JHRWJSYEMAMEST-AWEZNQCLSA-N 1 2 353.894 2.386 20 10 FECDLO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(Br)c(F)cc1O ZINC000757639808 680529376 /nfs/dbraw/zinc/52/93/76/680529376.db2.gz UTIKEBUATOXSMB-MRVPVSSYSA-N 1 2 371.210 2.098 20 10 FECDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000769543469 680986701 /nfs/dbraw/zinc/98/67/01/680986701.db2.gz QAQDTWOGSXBQKO-AWEZNQCLSA-N 1 2 351.878 2.174 20 10 FECDLO O=S1(=O)C[C@H](C[NH2+]Cc2cccc(Cl)c2O)Oc2ccccc21 ZINC000843418505 681002965 /nfs/dbraw/zinc/00/29/65/681002965.db2.gz URPMEZOHGGMSTC-LBPRGKRZSA-N 1 2 353.827 2.370 20 10 FECDLO C[C@@]1(c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)NC(=O)NC1=O ZINC000776154649 681368169 /nfs/dbraw/zinc/36/81/69/681368169.db2.gz WGEFPRQHVBSLPI-SFHVURJKSA-N 1 2 359.813 2.390 20 10 FECDLO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000777472684 681495617 /nfs/dbraw/zinc/49/56/17/681495617.db2.gz XPZNPIARSWTRLS-ZDUSSCGKSA-N 1 2 367.730 2.458 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)c1O ZINC000934263226 681538155 /nfs/dbraw/zinc/53/81/55/681538155.db2.gz NLPNIFNBJPDYFA-SJORKVTESA-N 1 2 352.862 2.279 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)c1O ZINC000934263226 681538160 /nfs/dbraw/zinc/53/81/60/681538160.db2.gz NLPNIFNBJPDYFA-SJORKVTESA-N 1 2 352.862 2.279 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)c1 ZINC000781913255 681988556 /nfs/dbraw/zinc/98/85/56/681988556.db2.gz RJNCGGLVGFOIHJ-SNVBAGLBSA-N 1 2 350.278 2.328 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H](C)CS(C)(=O)=O)c1 ZINC000781913255 681988558 /nfs/dbraw/zinc/98/85/58/681988558.db2.gz RJNCGGLVGFOIHJ-SNVBAGLBSA-N 1 2 350.278 2.328 20 10 FECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)[C@@H]1CCOC1 ZINC000851841868 682157643 /nfs/dbraw/zinc/15/76/43/682157643.db2.gz YPTYMHNGWFOMSX-WBMJQRKESA-N 1 2 357.834 2.072 20 10 FECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)[C@@H]1CCOC1 ZINC000851841868 682157644 /nfs/dbraw/zinc/15/76/44/682157644.db2.gz YPTYMHNGWFOMSX-WBMJQRKESA-N 1 2 357.834 2.072 20 10 FECDLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)cc(F)c1O ZINC000795843599 683097325 /nfs/dbraw/zinc/09/73/25/683097325.db2.gz GXNIOBHRNHTHPE-ZCFIWIBFSA-N 1 2 355.154 2.326 20 10 FECDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2cccc3nsnc32)C1 ZINC000799122453 683424349 /nfs/dbraw/zinc/42/43/49/683424349.db2.gz MUCOYWFXPYXSPN-UHFFFAOYSA-N 1 2 360.464 2.480 20 10 FECDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2cccc3nsnc32)C1 ZINC000799122453 683424350 /nfs/dbraw/zinc/42/43/50/683424350.db2.gz MUCOYWFXPYXSPN-UHFFFAOYSA-N 1 2 360.464 2.480 20 10 FECDLO Cc1nc(CN2CC[NH+](Cc3c(O)cccc3Br)CC2)no1 ZINC000862239636 683556709 /nfs/dbraw/zinc/55/67/09/683556709.db2.gz ICOWJNBJHXBSSV-UHFFFAOYSA-N 1 2 367.247 2.164 20 10 FECDLO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1F ZINC000862351673 683575673 /nfs/dbraw/zinc/57/56/73/683575673.db2.gz PTLDGNXMHXBNQN-CQSZACIVSA-N 1 2 373.469 2.031 20 10 FECDLO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1F ZINC000862351673 683575677 /nfs/dbraw/zinc/57/56/77/683575677.db2.gz PTLDGNXMHXBNQN-CQSZACIVSA-N 1 2 373.469 2.031 20 10 FECDLO COc1cc(C[N@@H+]2Cc3cccc(O)c3C2)cc(Cl)c1OCC(N)=O ZINC000877703406 686440948 /nfs/dbraw/zinc/44/09/48/686440948.db2.gz HOXGFJUQJXSGHP-UHFFFAOYSA-N 1 2 362.813 2.434 20 10 FECDLO COc1cc(C[N@H+]2Cc3cccc(O)c3C2)cc(Cl)c1OCC(N)=O ZINC000877703406 686440952 /nfs/dbraw/zinc/44/09/52/686440952.db2.gz HOXGFJUQJXSGHP-UHFFFAOYSA-N 1 2 362.813 2.434 20 10 FECDLO Cn1ccnc1C[NH+]1CCC(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890757721 688962531 /nfs/dbraw/zinc/96/25/31/688962531.db2.gz JFHOHSHALKEVGB-UHFFFAOYSA-N 1 2 362.861 2.308 20 10 FECDLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000894456734 689535843 /nfs/dbraw/zinc/53/58/43/689535843.db2.gz VQWKQRDVTOKZEU-CQSZACIVSA-N 1 2 364.211 2.352 20 10 FECDLO O=S(=O)(C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1)N1CCCC1 ZINC000894673069 689576234 /nfs/dbraw/zinc/57/62/34/689576234.db2.gz USTFIVJXSJZTQN-UHFFFAOYSA-N 1 2 360.426 2.060 20 10 FECDLO C[C@]1(CO)C[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@@]1(C)CO ZINC000895402007 689709878 /nfs/dbraw/zinc/70/98/78/689709878.db2.gz HUAPWVCNCRJPSY-GASCZTMLSA-N 1 2 362.239 2.107 20 10 FECDLO C[C@]1(CO)C[N@H+](Cc2cc(Br)cc(F)c2O)C[C@@]1(C)CO ZINC000895402007 689709886 /nfs/dbraw/zinc/70/98/86/689709886.db2.gz HUAPWVCNCRJPSY-GASCZTMLSA-N 1 2 362.239 2.107 20 10 FECDLO Cc1cc(C(=O)CN2CC[NH+](CCO)CC2)c(C)n1-c1ccc(C)cc1 ZINC000058028892 540827260 /nfs/dbraw/zinc/82/72/60/540827260.db2.gz YIELBEVNHGFVRY-UHFFFAOYSA-N 1 2 355.482 2.195 20 10 FECDLO O=C1NCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000092675418 542880677 /nfs/dbraw/zinc/88/06/77/542880677.db2.gz RTSLDBGFKMXZSV-HXUWFJFHSA-N 1 2 351.450 2.196 20 10 FECDLO O=C1NCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000092675418 542880681 /nfs/dbraw/zinc/88/06/81/542880681.db2.gz RTSLDBGFKMXZSV-HXUWFJFHSA-N 1 2 351.450 2.196 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000179433484 546952536 /nfs/dbraw/zinc/95/25/36/546952536.db2.gz PDTGSGDCADLQFU-UHFFFAOYSA-N 1 2 356.422 2.367 20 10 FECDLO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179908561 547027299 /nfs/dbraw/zinc/02/72/99/547027299.db2.gz WUUXJBCWFPIMSK-UHFFFAOYSA-N 1 2 358.369 2.218 20 10 FECDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180658185 547152419 /nfs/dbraw/zinc/15/24/19/547152419.db2.gz LUIKFUMVECIPSK-GQCTYLIASA-N 1 2 357.410 2.060 20 10 FECDLO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(F)c(F)c1O ZINC000187668035 548261222 /nfs/dbraw/zinc/26/12/22/548261222.db2.gz YNKZQMJEGGYJFK-LBPRGKRZSA-N 1 2 370.421 2.441 20 10 FECDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000265407476 550009362 /nfs/dbraw/zinc/00/93/62/550009362.db2.gz CLHITPMKURRART-KRWDZBQOSA-N 1 2 362.518 2.393 20 10 FECDLO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273401911 550497290 /nfs/dbraw/zinc/49/72/90/550497290.db2.gz NLBXVPFDMITOTK-GFCCVEGCSA-N 1 2 359.382 2.276 20 10 FECDLO O=C(NCCn1cc[nH+]c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000283991950 551463676 /nfs/dbraw/zinc/46/36/76/551463676.db2.gz OQZDGBWCJWLPGU-UHFFFAOYSA-N 1 2 370.453 2.066 20 10 FECDLO Cc1noc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000285732929 551802749 /nfs/dbraw/zinc/80/27/49/551802749.db2.gz QTZZETMTTIRVHX-KRWDZBQOSA-N 1 2 357.458 2.240 20 10 FECDLO Cc1noc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000285732929 551802750 /nfs/dbraw/zinc/80/27/50/551802750.db2.gz QTZZETMTTIRVHX-KRWDZBQOSA-N 1 2 357.458 2.240 20 10 FECDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000292808357 552760379 /nfs/dbraw/zinc/76/03/79/552760379.db2.gz OJIYDNIIWQKAOF-MWLCHTKSSA-N 1 2 360.332 2.152 20 10 FECDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000292808357 552760380 /nfs/dbraw/zinc/76/03/80/552760380.db2.gz OJIYDNIIWQKAOF-MWLCHTKSSA-N 1 2 360.332 2.152 20 10 FECDLO C[C@]1(F)CCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000295548320 553024133 /nfs/dbraw/zinc/02/41/33/553024133.db2.gz WVSOLZBKGHOBQG-IBGZPJMESA-N 1 2 367.440 2.103 20 10 FECDLO C[C@]1(F)CCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000295548320 553024136 /nfs/dbraw/zinc/02/41/36/553024136.db2.gz WVSOLZBKGHOBQG-IBGZPJMESA-N 1 2 367.440 2.103 20 10 FECDLO CC[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000296371807 553149442 /nfs/dbraw/zinc/14/94/42/553149442.db2.gz JFVFSOIYJZZANB-GXTWGEPZSA-N 1 2 368.282 2.289 20 10 FECDLO COc1cc([N+](=O)[O-])c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc1OC ZINC000302609233 553723051 /nfs/dbraw/zinc/72/30/51/553723051.db2.gz AJJDMDLVQHAQFQ-MRXNPFEDSA-N 1 2 362.386 2.285 20 10 FECDLO COCCCOCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000360808584 554890769 /nfs/dbraw/zinc/89/07/69/554890769.db2.gz FFUNMIPYBMPVOT-UHFFFAOYSA-N 1 2 350.459 2.176 20 10 FECDLO COc1cccc(CN2CCNC(=O)[C@@H]2c2c(C)[nH+]c3ccccn32)c1O ZINC000362376412 554967740 /nfs/dbraw/zinc/96/77/40/554967740.db2.gz NOAPEKRBOWIBFT-SFHVURJKSA-N 1 2 366.421 2.030 20 10 FECDLO Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[N@@H+]2C)cn1 ZINC000363176701 555046778 /nfs/dbraw/zinc/04/67/78/555046778.db2.gz LOTXLIACRQQPHR-ACJLOTCBSA-N 1 2 359.430 2.207 20 10 FECDLO Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[N@H+]2C)cn1 ZINC000363176701 555046780 /nfs/dbraw/zinc/04/67/80/555046780.db2.gz LOTXLIACRQQPHR-ACJLOTCBSA-N 1 2 359.430 2.207 20 10 FECDLO COc1ccc(N2CCC[N@H+](CC(=O)N(C)CC(F)(F)F)CC2)cc1 ZINC000363435332 555105358 /nfs/dbraw/zinc/10/53/58/555105358.db2.gz RLBKMUTVBRZSEU-UHFFFAOYSA-N 1 2 359.392 2.228 20 10 FECDLO COc1ccc(N2CCC[N@@H+](CC(=O)N(C)CC(F)(F)F)CC2)cc1 ZINC000363435332 555105359 /nfs/dbraw/zinc/10/53/59/555105359.db2.gz RLBKMUTVBRZSEU-UHFFFAOYSA-N 1 2 359.392 2.228 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)CN3CCCCC3=O)CC2)cc1 ZINC000363447003 555108050 /nfs/dbraw/zinc/10/80/50/555108050.db2.gz RRZWBVZTIRQZGC-UHFFFAOYSA-N 1 2 359.470 2.135 20 10 FECDLO C[NH+]1CCN(C2(C(=O)NCc3ccc(N4CCCC4)cc3)CCCC2)CC1 ZINC000363998253 555230461 /nfs/dbraw/zinc/23/04/61/555230461.db2.gz UIFQWJJDWPAKHB-UHFFFAOYSA-N 1 2 370.541 2.463 20 10 FECDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364303797 555287920 /nfs/dbraw/zinc/28/79/20/555287920.db2.gz NZQVOPFSVKAEMJ-GDBMZVCRSA-N 1 2 355.438 2.457 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)COC[C@H]3CCOC3)CC2)cc1 ZINC000365344111 555548941 /nfs/dbraw/zinc/54/89/41/555548941.db2.gz MASQJBNYRCFSAC-INIZCTEOSA-N 1 2 362.470 2.176 20 10 FECDLO CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000367894502 556167156 /nfs/dbraw/zinc/16/71/56/556167156.db2.gz DKYIXYIFQRSVDK-CRAIPNDOSA-N 1 2 367.921 2.493 20 10 FECDLO CC[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cccc(Cl)c1O ZINC000367897093 556167656 /nfs/dbraw/zinc/16/76/56/556167656.db2.gz RBKIHHYZGCITKG-CQSZACIVSA-N 1 2 350.854 2.279 20 10 FECDLO COc1ccc([NH+]2CCC(Nc3cccc(NC(=O)C(N)=O)c3)CC2)cc1 ZINC000374995262 557961181 /nfs/dbraw/zinc/96/11/81/557961181.db2.gz MAHFUCZTIXEEJI-UHFFFAOYSA-N 1 2 368.437 2.200 20 10 FECDLO COc1cccc([C@@H](NC(=O)c2cccc(O)c2O)c2[nH+]ccn2C)c1 ZINC000375667888 558064630 /nfs/dbraw/zinc/06/46/30/558064630.db2.gz AKHALXZXNVVZRI-MRXNPFEDSA-N 1 2 353.378 2.359 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)CSC(C)(C)C)CC2)cc1 ZINC000742927051 673742194 /nfs/dbraw/zinc/74/21/94/673742194.db2.gz FZJXGSXIWHIXCL-UHFFFAOYSA-N 1 2 365.543 2.465 20 10 FECDLO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756404289 680476651 /nfs/dbraw/zinc/47/66/51/680476651.db2.gz UHEQEQHJNTWKOQ-GFCCVEGCSA-N 1 2 355.429 2.312 20 10 FECDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000775194799 681283868 /nfs/dbraw/zinc/28/38/68/681283868.db2.gz ZEIGSRFNLGTMJE-INIZCTEOSA-N 1 2 370.490 2.061 20 10 FECDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000775194799 681283873 /nfs/dbraw/zinc/28/38/73/681283873.db2.gz ZEIGSRFNLGTMJE-INIZCTEOSA-N 1 2 370.490 2.061 20 10 FECDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776001692 681355746 /nfs/dbraw/zinc/35/57/46/681355746.db2.gz QQZKJQBJKPGRKU-KBXCAEBGSA-N 1 2 350.434 2.436 20 10 FECDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776001692 681355748 /nfs/dbraw/zinc/35/57/48/681355748.db2.gz QQZKJQBJKPGRKU-KBXCAEBGSA-N 1 2 350.434 2.436 20 10 FECDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1C[C@H](O)C12CCOCC2 ZINC000923021327 683821258 /nfs/dbraw/zinc/82/12/58/683821258.db2.gz XIJBWYITKBMVTE-STQMWFEESA-N 1 2 360.223 2.313 20 10 FECDLO CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000881769783 687210341 /nfs/dbraw/zinc/21/03/41/687210341.db2.gz UGKQKIOISGBCPC-UHFFFAOYSA-N 1 2 362.499 2.335 20 10 FECDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H](C)N1CCOCC1 ZINC000882986573 687540876 /nfs/dbraw/zinc/54/08/76/687540876.db2.gz CMKNYJOQXDTMHQ-MNOVXSKESA-N 1 2 361.255 2.493 20 10 FECDLO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CS1(=O)=O ZINC000883169653 687581188 /nfs/dbraw/zinc/58/11/88/687581188.db2.gz ACJZYWXJFWPXFZ-KCJUWKMLSA-N 1 2 366.252 2.349 20 10 FECDLO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000893699571 689388511 /nfs/dbraw/zinc/38/85/11/689388511.db2.gz OXMJHZPEUBIANC-HZPDHXFCSA-N 1 2 367.877 2.488 20 10 FECDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895332501 689697771 /nfs/dbraw/zinc/69/77/71/689697771.db2.gz KOSBMXWRDYWADH-LBPRGKRZSA-N 1 2 374.254 2.482 20 10 FECDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895332501 689697774 /nfs/dbraw/zinc/69/77/74/689697774.db2.gz KOSBMXWRDYWADH-LBPRGKRZSA-N 1 2 374.254 2.482 20 10 FECDLO CN(C)c1nc(N)nc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000119777271 543672200 /nfs/dbraw/zinc/67/22/00/543672200.db2.gz VHWFNJOOGPVVMV-UHFFFAOYSA-N 1 2 355.490 2.142 20 10 FECDLO CN(C)c1nc(N)nc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000119777271 543672201 /nfs/dbraw/zinc/67/22/01/543672201.db2.gz VHWFNJOOGPVVMV-UHFFFAOYSA-N 1 2 355.490 2.142 20 10 FECDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000161512700 546132029 /nfs/dbraw/zinc/13/20/29/546132029.db2.gz IGIFOSWBNTWRDC-WBVHZDCISA-N 1 2 355.438 2.359 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000180745322 547172111 /nfs/dbraw/zinc/17/21/11/547172111.db2.gz XEKSFNFKQOPGBD-HWKANZROSA-N 1 2 359.451 2.302 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000180745322 547172114 /nfs/dbraw/zinc/17/21/14/547172114.db2.gz XEKSFNFKQOPGBD-HWKANZROSA-N 1 2 359.451 2.302 20 10 FECDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000245654404 548967929 /nfs/dbraw/zinc/96/79/29/548967929.db2.gz IMGUIDQAZFDJDM-STQMWFEESA-N 1 2 358.232 2.225 20 10 FECDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000245654404 548967933 /nfs/dbraw/zinc/96/79/33/548967933.db2.gz IMGUIDQAZFDJDM-STQMWFEESA-N 1 2 358.232 2.225 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000271894291 550409136 /nfs/dbraw/zinc/40/91/36/550409136.db2.gz XTWDXKNLMVVJMW-GOEBONIOSA-N 1 2 363.410 2.327 20 10 FECDLO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000271894291 550409138 /nfs/dbraw/zinc/40/91/38/550409138.db2.gz XTWDXKNLMVVJMW-GOEBONIOSA-N 1 2 363.410 2.327 20 10 FECDLO COCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cccnc1 ZINC000276279520 550577834 /nfs/dbraw/zinc/57/78/34/550577834.db2.gz DZCUSFKAGOPDCP-UHFFFAOYSA-N 1 2 370.497 2.255 20 10 FECDLO COCC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cccnc1 ZINC000276279520 550577835 /nfs/dbraw/zinc/57/78/35/550577835.db2.gz DZCUSFKAGOPDCP-UHFFFAOYSA-N 1 2 370.497 2.255 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C)sn3)CC2)cc1 ZINC000277676998 550700597 /nfs/dbraw/zinc/70/05/97/550700597.db2.gz FMXCQHYWQRGVBD-UHFFFAOYSA-N 1 2 360.483 2.012 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278265439 550766861 /nfs/dbraw/zinc/76/68/61/550766861.db2.gz QZEZRQYBQSTBBI-INIZCTEOSA-N 1 2 371.393 2.372 20 10 FECDLO COc1c(O)c(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278265439 550766863 /nfs/dbraw/zinc/76/68/63/550766863.db2.gz QZEZRQYBQSTBBI-INIZCTEOSA-N 1 2 371.393 2.372 20 10 FECDLO Cc1ccc(O)c(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000283036969 551301614 /nfs/dbraw/zinc/30/16/14/551301614.db2.gz NRXNPQFILDUCOI-UHFFFAOYSA-N 1 2 362.442 2.192 20 10 FECDLO Cc1ccc(O)c(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000283036969 551301615 /nfs/dbraw/zinc/30/16/15/551301615.db2.gz NRXNPQFILDUCOI-UHFFFAOYSA-N 1 2 362.442 2.192 20 10 FECDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286466163 551888767 /nfs/dbraw/zinc/88/87/67/551888767.db2.gz BHEFCTAKWKOJRW-XLIONFOSSA-N 1 2 372.513 2.291 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1O ZINC000293035205 552782779 /nfs/dbraw/zinc/78/27/79/552782779.db2.gz RWNKPRXGFVCATN-HNNXBMFYSA-N 1 2 364.833 2.169 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1O ZINC000293035205 552782780 /nfs/dbraw/zinc/78/27/80/552782780.db2.gz RWNKPRXGFVCATN-HNNXBMFYSA-N 1 2 364.833 2.169 20 10 FECDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294175146 552887958 /nfs/dbraw/zinc/88/79/58/552887958.db2.gz JIGCWTAGQIZIGL-HNNXBMFYSA-N 1 2 357.857 2.217 20 10 FECDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294175146 552887959 /nfs/dbraw/zinc/88/79/59/552887959.db2.gz JIGCWTAGQIZIGL-HNNXBMFYSA-N 1 2 357.857 2.217 20 10 FECDLO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000298778400 553471742 /nfs/dbraw/zinc/47/17/42/553471742.db2.gz REYLBWLVYWVLNV-UHFFFAOYSA-N 1 2 370.453 2.191 20 10 FECDLO Cc1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c(C)n1-c1ccccc1C ZINC000363101208 555030612 /nfs/dbraw/zinc/03/06/12/555030612.db2.gz JDJNDQJFHFXKEW-UHFFFAOYSA-N 1 2 368.481 2.036 20 10 FECDLO Cc1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(C)n1-c1ccccc1C ZINC000363101208 555030614 /nfs/dbraw/zinc/03/06/14/555030614.db2.gz JDJNDQJFHFXKEW-UHFFFAOYSA-N 1 2 368.481 2.036 20 10 FECDLO O=C(NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)c1cccc(O)c1O ZINC000365231331 555517583 /nfs/dbraw/zinc/51/75/83/555517583.db2.gz YWBAXFKJXXUZHU-UHFFFAOYSA-N 1 2 366.421 2.369 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)CCOC(C)C)CC2)cc1 ZINC000370107674 556782961 /nfs/dbraw/zinc/78/29/61/556782961.db2.gz ODHAOXHXTOVMQD-UHFFFAOYSA-N 1 2 370.515 2.351 20 10 FECDLO O=C1NCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1cccs1 ZINC000371332417 557150282 /nfs/dbraw/zinc/15/02/82/557150282.db2.gz PGONZSKGVPUDTN-SFHVURJKSA-N 1 2 357.479 2.258 20 10 FECDLO O=C1NCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1cccs1 ZINC000371332417 557150284 /nfs/dbraw/zinc/15/02/84/557150284.db2.gz PGONZSKGVPUDTN-SFHVURJKSA-N 1 2 357.479 2.258 20 10 FECDLO CN1CCc2cc(CNC(=O)N3CC[NH+](Cc4ccccn4)CC3)ccc21 ZINC000372454740 557474489 /nfs/dbraw/zinc/47/44/89/557474489.db2.gz OXYTWCPEJAQQQF-UHFFFAOYSA-N 1 2 365.481 2.101 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)[C@@H]3CCO[C@H]3C)CC2)cc1 ZINC000372622732 557523806 /nfs/dbraw/zinc/52/38/06/557523806.db2.gz WSUWBEIYDGSKAO-KBXCAEBGSA-N 1 2 368.499 2.103 20 10 FECDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2cc(Cl)cc(OC)c2O)n1 ZINC000373482293 557701903 /nfs/dbraw/zinc/70/19/03/557701903.db2.gz GMLSNTLOIXXZMP-NWDGAFQWSA-N 1 2 353.806 2.308 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000375712304 558071460 /nfs/dbraw/zinc/07/14/60/558071460.db2.gz RHUMBKXTEYMJND-OAHLLOKOSA-N 1 2 363.414 2.286 20 10 FECDLO COc1c(O)c(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000375712304 558071462 /nfs/dbraw/zinc/07/14/62/558071462.db2.gz RHUMBKXTEYMJND-OAHLLOKOSA-N 1 2 363.414 2.286 20 10 FECDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCCOC2)O1 ZINC000376029303 558116237 /nfs/dbraw/zinc/11/62/37/558116237.db2.gz NRNNTNUGBMVLKQ-KSSFIOAISA-N 1 2 366.414 2.469 20 10 FECDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCCOC2)O1 ZINC000376029303 558116238 /nfs/dbraw/zinc/11/62/38/558116238.db2.gz NRNNTNUGBMVLKQ-KSSFIOAISA-N 1 2 366.414 2.469 20 10 FECDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000376213759 558142009 /nfs/dbraw/zinc/14/20/09/558142009.db2.gz ZZENBBUVMBDTKP-MOTZXUDYSA-N 1 2 366.465 2.427 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213682 558290056 /nfs/dbraw/zinc/29/00/56/558290056.db2.gz IVGDGNQSLKLHLH-PXAZEXFGSA-N 1 2 352.387 2.079 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213682 558290057 /nfs/dbraw/zinc/29/00/57/558290057.db2.gz IVGDGNQSLKLHLH-PXAZEXFGSA-N 1 2 352.387 2.079 20 10 FECDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000378345281 558534963 /nfs/dbraw/zinc/53/49/63/558534963.db2.gz IRASFOGETUAZEF-NSHDSACASA-N 1 2 353.271 2.213 20 10 FECDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000378345281 558534965 /nfs/dbraw/zinc/53/49/65/558534965.db2.gz IRASFOGETUAZEF-NSHDSACASA-N 1 2 353.271 2.213 20 10 FECDLO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809702552 674506049 /nfs/dbraw/zinc/50/60/49/674506049.db2.gz VIAYSVVDSVOYNU-HZMBPMFUSA-N 1 2 364.870 2.382 20 10 FECDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000093392396 670753392 /nfs/dbraw/zinc/75/33/92/670753392.db2.gz ADFHYHAIWKCBQW-CQSZACIVSA-N 1 2 370.490 2.060 20 10 FECDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000093392396 670753404 /nfs/dbraw/zinc/75/34/04/670753404.db2.gz ADFHYHAIWKCBQW-CQSZACIVSA-N 1 2 370.490 2.060 20 10 FECDLO Cc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)nc1 ZINC000761787165 680731721 /nfs/dbraw/zinc/73/17/21/680731721.db2.gz SRXWATRBMUKGRG-PTNGSMBKSA-N 1 2 363.508 2.314 20 10 FECDLO CCC(CC)C(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768442394 680947023 /nfs/dbraw/zinc/94/70/23/680947023.db2.gz UMNXTIOZVMBPNM-UHFFFAOYSA-N 1 2 350.459 2.490 20 10 FECDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774859071 681242336 /nfs/dbraw/zinc/24/23/36/681242336.db2.gz SCOREKRHKYYUGU-CQSZACIVSA-N 1 2 351.403 2.142 20 10 FECDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774859071 681242342 /nfs/dbraw/zinc/24/23/42/681242342.db2.gz SCOREKRHKYYUGU-CQSZACIVSA-N 1 2 351.403 2.142 20 10 FECDLO C[C@H](CC(N)=O)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776251232 681376732 /nfs/dbraw/zinc/37/67/32/681376732.db2.gz RNAWAIQVWAYITN-ZCFIWIBFSA-N 1 2 366.053 2.271 20 10 FECDLO Oc1c(Br)cccc1C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877478138 686386001 /nfs/dbraw/zinc/38/60/01/686386001.db2.gz BIMJQAGQMBSVQY-CYBMUJFWSA-N 1 2 367.247 2.215 20 10 FECDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894544618 689551369 /nfs/dbraw/zinc/55/13/69/689551369.db2.gz HJOLSPKRKLTQEL-LBPRGKRZSA-N 1 2 357.223 2.491 20 10 FECDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894544618 689551375 /nfs/dbraw/zinc/55/13/75/689551375.db2.gz HJOLSPKRKLTQEL-LBPRGKRZSA-N 1 2 357.223 2.491 20 10 FECDLO Cn1nnnc1C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000895470598 689722278 /nfs/dbraw/zinc/72/22/78/689722278.db2.gz LZDCGVIHYHACDA-UHFFFAOYSA-N 1 2 370.226 2.197 20 10 FECDLO Cn1cc(C[NH2+]Cc2c(O)cccc2F)c(I)n1 ZINC000896644689 689910287 /nfs/dbraw/zinc/91/02/87/689910287.db2.gz YULJXCNBHSVGOY-UHFFFAOYSA-N 1 2 361.158 2.159 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCn4cccc4[C@@H]3C)CC2)cc1 ZINC000029701961 539861591 /nfs/dbraw/zinc/86/15/91/539861591.db2.gz HRDVXUQPOWAJTH-KRWDZBQOSA-N 1 2 368.481 2.222 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCn4cccc4[C@@H]3C)CC2)cc1 ZINC000029701961 539861595 /nfs/dbraw/zinc/86/15/95/539861595.db2.gz HRDVXUQPOWAJTH-KRWDZBQOSA-N 1 2 368.481 2.222 20 10 FECDLO CN(C)c1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000031728393 539917021 /nfs/dbraw/zinc/91/70/21/539917021.db2.gz DHYJMEOCEDGDTB-UHFFFAOYSA-N 1 2 353.470 2.175 20 10 FECDLO CN(C)c1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1F ZINC000058558154 540849056 /nfs/dbraw/zinc/84/90/56/540849056.db2.gz XINOZGHFWJBJNJ-UHFFFAOYSA-N 1 2 368.416 2.472 20 10 FECDLO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000104595708 543135374 /nfs/dbraw/zinc/13/53/74/543135374.db2.gz VVDFWHWHZCGYNJ-JKSUJKDBSA-N 1 2 356.470 2.328 20 10 FECDLO COc1cc2nc(C[N@H+](C)Cc3ccccc3O)[nH]c(=O)c2cc1OC ZINC000109771882 543338724 /nfs/dbraw/zinc/33/87/24/543338724.db2.gz XHGZYMLDDGWKHI-UHFFFAOYSA-N 1 2 355.394 2.278 20 10 FECDLO COc1cc2nc(C[N@@H+](C)Cc3ccccc3O)[nH]c(=O)c2cc1OC ZINC000109771882 543338727 /nfs/dbraw/zinc/33/87/27/543338727.db2.gz XHGZYMLDDGWKHI-UHFFFAOYSA-N 1 2 355.394 2.278 20 10 FECDLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000136022647 544365085 /nfs/dbraw/zinc/36/50/85/544365085.db2.gz OTOVGWOJMBCSRF-YJBOKZPZSA-N 1 2 355.438 2.359 20 10 FECDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)[nH+]1 ZINC000155798765 545571458 /nfs/dbraw/zinc/57/14/58/545571458.db2.gz AEKBCACZHZDRFC-UHFFFAOYSA-N 1 2 350.422 2.330 20 10 FECDLO Cc1cc(Br)cc(C[N@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000180576388 547134292 /nfs/dbraw/zinc/13/42/92/547134292.db2.gz PDPZNYCPVZVAAP-UHFFFAOYSA-N 1 2 362.289 2.472 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000180576388 547134298 /nfs/dbraw/zinc/13/42/98/547134298.db2.gz PDPZNYCPVZVAAP-UHFFFAOYSA-N 1 2 362.289 2.472 20 10 FECDLO COC(=O)c1cn(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)nn1 ZINC000184756364 547876086 /nfs/dbraw/zinc/87/60/86/547876086.db2.gz CXJUQQLCXDXBQM-UHFFFAOYSA-N 1 2 350.806 2.261 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ncc(C)s1)cc2=O ZINC000184979903 547910875 /nfs/dbraw/zinc/91/08/75/547910875.db2.gz QPUWUKMEKABYIK-SNVBAGLBSA-N 1 2 361.427 2.227 20 10 FECDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188181724 548273650 /nfs/dbraw/zinc/27/36/50/548273650.db2.gz VZGLNRKIUVMNJZ-UHFFFAOYSA-N 1 2 353.470 2.318 20 10 FECDLO Oc1ccccc1C[N@@H+](Cc1nnnn1CC(F)(F)F)C[C@H]1CCCO1 ZINC000190985749 548337513 /nfs/dbraw/zinc/33/75/13/548337513.db2.gz SISADEPMISVKPG-CYBMUJFWSA-N 1 2 371.363 2.122 20 10 FECDLO Oc1ccccc1C[N@H+](Cc1nnnn1CC(F)(F)F)C[C@H]1CCCO1 ZINC000190985749 548337520 /nfs/dbraw/zinc/33/75/20/548337520.db2.gz SISADEPMISVKPG-CYBMUJFWSA-N 1 2 371.363 2.122 20 10 FECDLO Cc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCOCC2)cc1 ZINC000237878600 548861155 /nfs/dbraw/zinc/86/11/55/548861155.db2.gz ZEAMIONHNXHACH-HXUWFJFHSA-N 1 2 353.466 2.309 20 10 FECDLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271208799 550352860 /nfs/dbraw/zinc/35/28/60/550352860.db2.gz XEHZLTWXPMTEGY-VIFPVBQESA-N 1 2 353.271 2.200 20 10 FECDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271208799 550352862 /nfs/dbraw/zinc/35/28/62/550352862.db2.gz XEHZLTWXPMTEGY-VIFPVBQESA-N 1 2 353.271 2.200 20 10 FECDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000272536332 550456501 /nfs/dbraw/zinc/45/65/01/550456501.db2.gz OGAXXDNICMQTON-SMDDNHRTSA-N 1 2 355.818 2.281 20 10 FECDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000272536332 550456503 /nfs/dbraw/zinc/45/65/03/550456503.db2.gz OGAXXDNICMQTON-SMDDNHRTSA-N 1 2 355.818 2.281 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)C=Cc3c[nH]c[nH+]3)cc2F)C[C@@H](C)O1 ZINC000276602662 550579299 /nfs/dbraw/zinc/57/92/99/550579299.db2.gz OOJQBOVTOMKENZ-IOKDEZFASA-N 1 2 358.417 2.492 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278321463 550772849 /nfs/dbraw/zinc/77/28/49/550772849.db2.gz YETJYWYDXQHFHT-UHFFFAOYSA-N 1 2 363.336 2.379 20 10 FECDLO COc1c(O)c(C[N@H+]2CCCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278321463 550772851 /nfs/dbraw/zinc/77/28/51/550772851.db2.gz YETJYWYDXQHFHT-UHFFFAOYSA-N 1 2 363.336 2.379 20 10 FECDLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294625845 552921605 /nfs/dbraw/zinc/92/16/05/552921605.db2.gz JLCPHIHVSKUZGA-GFCCVEGCSA-N 1 2 362.854 2.185 20 10 FECDLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294625845 552921606 /nfs/dbraw/zinc/92/16/06/552921606.db2.gz JLCPHIHVSKUZGA-GFCCVEGCSA-N 1 2 362.854 2.185 20 10 FECDLO c1cc(N2CCSCC2)ccc1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000301257106 553636205 /nfs/dbraw/zinc/63/62/05/553636205.db2.gz BSZPQXWWYANMJS-UHFFFAOYSA-N 1 2 371.510 2.479 20 10 FECDLO c1cc(N2CCSCC2)ccc1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000301257106 553636206 /nfs/dbraw/zinc/63/62/06/553636206.db2.gz BSZPQXWWYANMJS-UHFFFAOYSA-N 1 2 371.510 2.479 20 10 FECDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364303801 555287788 /nfs/dbraw/zinc/28/77/88/555287788.db2.gz NZQVOPFSVKAEMJ-HOCLYGCPSA-N 1 2 355.438 2.457 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831295 556149766 /nfs/dbraw/zinc/14/97/66/556149766.db2.gz HGLRVNYMYMARNE-CYBMUJFWSA-N 1 2 372.443 2.098 20 10 FECDLO COc1c(O)c(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831295 556149768 /nfs/dbraw/zinc/14/97/68/556149768.db2.gz HGLRVNYMYMARNE-CYBMUJFWSA-N 1 2 372.443 2.098 20 10 FECDLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(C)n1-c1ccccn1 ZINC000370806674 556973443 /nfs/dbraw/zinc/97/34/43/556973443.db2.gz VYFUSOICGFAGHO-KRWDZBQOSA-N 1 2 354.454 2.036 20 10 FECDLO COCCCCS(=O)(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000372957226 557596686 /nfs/dbraw/zinc/59/66/86/557596686.db2.gz QXHSBYSUTXHLHU-UHFFFAOYSA-N 1 2 370.515 2.352 20 10 FECDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377661423 558389305 /nfs/dbraw/zinc/38/93/05/558389305.db2.gz GAFNVARZDQTMQL-HNNXBMFYSA-N 1 2 372.444 2.246 20 10 FECDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000377661423 558389308 /nfs/dbraw/zinc/38/93/08/558389308.db2.gz GAFNVARZDQTMQL-HNNXBMFYSA-N 1 2 372.444 2.246 20 10 FECDLO C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000378357790 558537627 /nfs/dbraw/zinc/53/76/27/558537627.db2.gz XGTMUGRAENQRCS-HNNXBMFYSA-N 1 2 368.865 2.166 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000471829908 561012668 /nfs/dbraw/zinc/01/26/68/561012668.db2.gz GQWISKYIXPWJOS-HZPDHXFCSA-N 1 2 358.486 2.395 20 10 FECDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c(-c2nn[nH]n2)c1C ZINC000737546275 598702610 /nfs/dbraw/zinc/70/26/10/598702610.db2.gz CWMXLFZUCNPNTN-NSHDSACASA-N 1 2 370.413 2.241 20 10 FECDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c(-c2nn[nH]n2)c1C ZINC000737546275 598702611 /nfs/dbraw/zinc/70/26/11/598702611.db2.gz CWMXLFZUCNPNTN-NSHDSACASA-N 1 2 370.413 2.241 20 10 FECDLO CN(C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)S(C)(=O)=O ZINC000809689098 674505275 /nfs/dbraw/zinc/50/52/75/674505275.db2.gz TYDLAXCIXREHJH-LLVKDONJSA-N 1 2 364.870 2.288 20 10 FECDLO CN(C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)S(C)(=O)=O ZINC000809689098 674505278 /nfs/dbraw/zinc/50/52/78/674505278.db2.gz TYDLAXCIXREHJH-LLVKDONJSA-N 1 2 364.870 2.288 20 10 FECDLO CCN(CC)c1ccc(C[N@@H+]2CCN(S(=O)(=O)CC)C[C@H]2C)cc1 ZINC000809724906 674507254 /nfs/dbraw/zinc/50/72/54/674507254.db2.gz FGVRLYAZDXINCO-MRXNPFEDSA-N 1 2 353.532 2.389 20 10 FECDLO CCN(CC)c1ccc(C[N@H+]2CCN(S(=O)(=O)CC)C[C@H]2C)cc1 ZINC000809724906 674507256 /nfs/dbraw/zinc/50/72/56/674507256.db2.gz FGVRLYAZDXINCO-MRXNPFEDSA-N 1 2 353.532 2.389 20 10 FECDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816487048 675058988 /nfs/dbraw/zinc/05/89/88/675058988.db2.gz BSKQOYCQDLUTSG-NSHDSACASA-N 1 2 350.843 2.088 20 10 FECDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816487048 675058992 /nfs/dbraw/zinc/05/89/92/675058992.db2.gz BSKQOYCQDLUTSG-NSHDSACASA-N 1 2 350.843 2.088 20 10 FECDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000093643267 670754425 /nfs/dbraw/zinc/75/44/25/670754425.db2.gz MBBVYCHTGWQOMX-UHFFFAOYSA-N 1 2 366.277 2.030 20 10 FECDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000093643267 670754428 /nfs/dbraw/zinc/75/44/28/670754428.db2.gz MBBVYCHTGWQOMX-UHFFFAOYSA-N 1 2 366.277 2.030 20 10 FECDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cccc(Br)c1O ZINC000093707897 670754858 /nfs/dbraw/zinc/75/48/58/670754858.db2.gz DQLSXAAKBKXNQL-UHFFFAOYSA-N 1 2 350.278 2.410 20 10 FECDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cccc(Br)c1O ZINC000093707897 670754860 /nfs/dbraw/zinc/75/48/60/670754860.db2.gz DQLSXAAKBKXNQL-UHFFFAOYSA-N 1 2 350.278 2.410 20 10 FECDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000825278762 675644648 /nfs/dbraw/zinc/64/46/48/675644648.db2.gz IFODVVFGQHOGHK-GFCCVEGCSA-N 1 2 356.264 2.390 20 10 FECDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000825278762 675644651 /nfs/dbraw/zinc/64/46/51/675644651.db2.gz IFODVVFGQHOGHK-GFCCVEGCSA-N 1 2 356.264 2.390 20 10 FECDLO Cc1cc(C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828730597 675839930 /nfs/dbraw/zinc/83/99/30/675839930.db2.gz PSCQZCYOQSGJEV-KRWDZBQOSA-N 1 2 365.543 2.451 20 10 FECDLO Cc1cc(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828730597 675839934 /nfs/dbraw/zinc/83/99/34/675839934.db2.gz PSCQZCYOQSGJEV-KRWDZBQOSA-N 1 2 365.543 2.451 20 10 FECDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCCSc1nccs1 ZINC000840324302 680815442 /nfs/dbraw/zinc/81/54/42/680815442.db2.gz BLEJINZZJXASMH-UHFFFAOYSA-N 1 2 358.533 2.035 20 10 FECDLO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1O ZINC000756776435 680497306 /nfs/dbraw/zinc/49/73/06/680497306.db2.gz PGLYEMKTAWRQEY-ISVAXAHUSA-N 1 2 358.211 2.412 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844138998 681040988 /nfs/dbraw/zinc/04/09/88/681040988.db2.gz HRBWFELQAPYUKU-JTQLQIEISA-N 1 2 350.216 2.230 20 10 FECDLO C[C@]1(c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)NC(=O)NC1=O ZINC000776154647 681368331 /nfs/dbraw/zinc/36/83/31/681368331.db2.gz WGEFPRQHVBSLPI-GOSISDBHSA-N 1 2 359.813 2.390 20 10 FECDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922950549 683810706 /nfs/dbraw/zinc/81/07/06/683810706.db2.gz NEPMZICHQHQKHG-AWEZNQCLSA-N 1 2 355.276 2.498 20 10 FECDLO O=C(N1CCOCC1)C1([NH2+]Cc2ccc(F)c(F)c2O)CCCCC1 ZINC000897892932 690097780 /nfs/dbraw/zinc/09/77/80/690097780.db2.gz FARCRIANAHXSCQ-UHFFFAOYSA-N 1 2 354.397 2.322 20 10 FECDLO COC(=O)c1cc(C2C[NH+](Cc3cc(F)c(N(C)C)cc3F)C2)[nH]n1 ZINC000898001194 690113259 /nfs/dbraw/zinc/11/32/59/690113259.db2.gz AOFOVQSGTOOQTO-UHFFFAOYSA-N 1 2 350.369 2.140 20 10 FECDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180631747 547146116 /nfs/dbraw/zinc/14/61/16/547146116.db2.gz NOQNISBSNNISGK-AWEZNQCLSA-N 1 2 351.878 2.174 20 10 FECDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1O ZINC000187790331 548263924 /nfs/dbraw/zinc/26/39/24/548263924.db2.gz DNVVOXIHUPISOM-ZWNOBZJWSA-N 1 2 350.369 2.250 20 10 FECDLO Oc1ccccc1C[N@@H+](Cc1nnnn1CC(F)(F)F)C[C@@H]1CCCO1 ZINC000190985732 548337422 /nfs/dbraw/zinc/33/74/22/548337422.db2.gz SISADEPMISVKPG-ZDUSSCGKSA-N 1 2 371.363 2.122 20 10 FECDLO Oc1ccccc1C[N@H+](Cc1nnnn1CC(F)(F)F)C[C@@H]1CCCO1 ZINC000190985732 548337429 /nfs/dbraw/zinc/33/74/29/548337429.db2.gz SISADEPMISVKPG-ZDUSSCGKSA-N 1 2 371.363 2.122 20 10 FECDLO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000191195512 548341169 /nfs/dbraw/zinc/34/11/69/548341169.db2.gz HMHDGFJEZPDRKV-JTQLQIEISA-N 1 2 356.394 2.211 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccncc3Cl)CC2)cc1 ZINC000266695443 550023006 /nfs/dbraw/zinc/02/30/06/550023006.db2.gz NZGJZVKZJFXGQR-UHFFFAOYSA-N 1 2 374.872 2.296 20 10 FECDLO Cc1cn2cc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2[nH+]1 ZINC000271614828 550389599 /nfs/dbraw/zinc/38/95/99/550389599.db2.gz NYPAPBFPVFZRPF-UHFFFAOYSA-N 1 2 365.437 2.306 20 10 FECDLO CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283280029 551340921 /nfs/dbraw/zinc/34/09/21/551340921.db2.gz GMYPCYHQMKXTLS-UHFFFAOYSA-N 1 2 366.421 2.095 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000285474265 551761946 /nfs/dbraw/zinc/76/19/46/551761946.db2.gz CGRKXBSJNBESQR-CQSZACIVSA-N 1 2 374.890 2.104 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000285474265 551761947 /nfs/dbraw/zinc/76/19/47/551761947.db2.gz CGRKXBSJNBESQR-CQSZACIVSA-N 1 2 374.890 2.104 20 10 FECDLO CCc1nc(CN2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)no1 ZINC000295406977 553001316 /nfs/dbraw/zinc/00/13/16/553001316.db2.gz RGQFWDNAFAWGHL-UHFFFAOYSA-N 1 2 354.813 2.448 20 10 FECDLO CN(C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1)S(C)(=O)=O ZINC000295442720 553007449 /nfs/dbraw/zinc/00/74/49/553007449.db2.gz UPJFNLZRCKULCB-UHFFFAOYSA-N 1 2 350.843 2.041 20 10 FECDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccc1O ZINC000362376444 554967518 /nfs/dbraw/zinc/96/75/18/554967518.db2.gz OFCNBUMIOOZSTN-IBGZPJMESA-N 1 2 350.422 2.330 20 10 FECDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)ccc1O ZINC000362376444 554967522 /nfs/dbraw/zinc/96/75/22/554967522.db2.gz OFCNBUMIOOZSTN-IBGZPJMESA-N 1 2 350.422 2.330 20 10 FECDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(C)ccc1O ZINC000362376444 554967525 /nfs/dbraw/zinc/96/75/25/554967525.db2.gz OFCNBUMIOOZSTN-IBGZPJMESA-N 1 2 350.422 2.330 20 10 FECDLO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366459311 555850435 /nfs/dbraw/zinc/85/04/35/555850435.db2.gz XCRBZHFSHNNUGF-ZDUSSCGKSA-N 1 2 374.268 2.361 20 10 FECDLO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366459311 555850437 /nfs/dbraw/zinc/85/04/37/555850437.db2.gz XCRBZHFSHNNUGF-ZDUSSCGKSA-N 1 2 374.268 2.361 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H](O)c3cccnc3)CC2)cc1 ZINC000367045111 556000802 /nfs/dbraw/zinc/00/08/02/556000802.db2.gz JKYJVYXUKKQKLA-LJQANCHMSA-N 1 2 355.438 2.251 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc4n(n3)CCO4)CC2)cc1 ZINC000367905914 556169166 /nfs/dbraw/zinc/16/91/66/556169166.db2.gz CMHHCXCYDIUKJH-UHFFFAOYSA-N 1 2 356.426 2.025 20 10 FECDLO O=C1NCC[N@@H+](Cc2cc(F)ccc2O)[C@H]1Cc1nc2ccccc2o1 ZINC000368050753 556204885 /nfs/dbraw/zinc/20/48/85/556204885.db2.gz HNFLRHLUYDLMPY-HNNXBMFYSA-N 1 2 355.369 2.216 20 10 FECDLO O=C1NCC[N@H+](Cc2cc(F)ccc2O)[C@H]1Cc1nc2ccccc2o1 ZINC000368050753 556204888 /nfs/dbraw/zinc/20/48/88/556204888.db2.gz HNFLRHLUYDLMPY-HNNXBMFYSA-N 1 2 355.369 2.216 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H](C)C[S@@](C)=O)CC2)cc1 ZINC000368358043 556286976 /nfs/dbraw/zinc/28/69/76/556286976.db2.gz QBTAKVWNLWKKRB-HWRSSNJWSA-N 1 2 367.515 2.072 20 10 FECDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370542001 556903632 /nfs/dbraw/zinc/90/36/32/556903632.db2.gz MNGHIVPNXGEUNT-KRWDZBQOSA-N 1 2 354.454 2.325 20 10 FECDLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809702553 674505916 /nfs/dbraw/zinc/50/59/16/674505916.db2.gz VIAYSVVDSVOYNU-IINYFYTJSA-N 1 2 364.870 2.382 20 10 FECDLO NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000809728679 674507571 /nfs/dbraw/zinc/50/75/71/674507571.db2.gz FJPMBEHYNNMHQU-GOSISDBHSA-N 1 2 359.857 2.390 20 10 FECDLO Cc1noc(C)c1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000814286106 674830387 /nfs/dbraw/zinc/83/03/87/674830387.db2.gz YFBDJKUBORBRGY-UVTDQMKNSA-N 1 2 367.496 2.215 20 10 FECDLO Cc1cc(C(=O)C[N@@H+](C)C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000063496464 670407485 /nfs/dbraw/zinc/40/74/85/670407485.db2.gz NKHXKJKGDCQIDP-UHFFFAOYSA-N 1 2 361.467 2.018 20 10 FECDLO Cc1cc(C(=O)C[N@H+](C)C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000063496464 670407486 /nfs/dbraw/zinc/40/74/86/670407486.db2.gz NKHXKJKGDCQIDP-UHFFFAOYSA-N 1 2 361.467 2.018 20 10 FECDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079399493 670604659 /nfs/dbraw/zinc/60/46/59/670604659.db2.gz NRQAQYZPPFOZHQ-UHFFFAOYSA-N 1 2 372.462 2.028 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1O ZINC000817412040 675130671 /nfs/dbraw/zinc/13/06/71/675130671.db2.gz BPZUJFOXYKSPCS-LBPRGKRZSA-N 1 2 360.248 2.135 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)c1O ZINC000817412040 675130673 /nfs/dbraw/zinc/13/06/73/675130673.db2.gz BPZUJFOXYKSPCS-LBPRGKRZSA-N 1 2 360.248 2.135 20 10 FECDLO COc1ccc(N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1Cl ZINC000177074304 672379822 /nfs/dbraw/zinc/37/98/22/672379822.db2.gz DYMWQDJUPMEERP-UHFFFAOYSA-N 1 2 369.893 2.012 20 10 FECDLO CCCCSCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742919083 673742092 /nfs/dbraw/zinc/74/20/92/673742092.db2.gz CFHQKAZBSFCJAX-UHFFFAOYSA-N 1 2 365.543 2.467 20 10 FECDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cc(Br)c(F)cc1O ZINC000756730805 680495220 /nfs/dbraw/zinc/49/52/20/680495220.db2.gz BVDKWLDVPZNURY-SSDOTTSWSA-N 1 2 356.199 2.466 20 10 FECDLO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000757706082 680532920 /nfs/dbraw/zinc/53/29/20/680532920.db2.gz URPCUEJCABPYAO-LLVKDONJSA-N 1 2 362.442 2.383 20 10 FECDLO CCc1nocc1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000841497802 680887868 /nfs/dbraw/zinc/88/78/68/680887868.db2.gz YLIXNOCJSQPKDG-UVTDQMKNSA-N 1 2 367.496 2.161 20 10 FECDLO O=C1/C(=C\c2ccc(F)nc2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000777403477 681490923 /nfs/dbraw/zinc/49/09/23/681490923.db2.gz FISVCDBSEUCMLY-JLHYYAGUSA-N 1 2 367.471 2.144 20 10 FECDLO CCC(CC)[C@@H](C(=O)NCc1ccc(OC)cc1O)[NH+]1CCOCC1 ZINC000794381691 682963462 /nfs/dbraw/zinc/96/34/62/682963462.db2.gz RCFOAYGIPOTHMV-SFHVURJKSA-N 1 2 350.459 2.154 20 10 FECDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000860196840 683214601 /nfs/dbraw/zinc/21/46/01/683214601.db2.gz KXIWBFJCZRQOSI-LBPRGKRZSA-N 1 2 374.890 2.009 20 10 FECDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000860196840 683214607 /nfs/dbraw/zinc/21/46/07/683214607.db2.gz KXIWBFJCZRQOSI-LBPRGKRZSA-N 1 2 374.890 2.009 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872268430 684933540 /nfs/dbraw/zinc/93/35/40/684933540.db2.gz IOTHJQFHQVCFBN-INIZCTEOSA-N 1 2 355.429 2.067 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872268430 684933543 /nfs/dbraw/zinc/93/35/43/684933543.db2.gz IOTHJQFHQVCFBN-INIZCTEOSA-N 1 2 355.429 2.067 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCNC(=O)CC23CCOCC3)c1O ZINC000872286751 684934967 /nfs/dbraw/zinc/93/49/67/684934967.db2.gz QKNIHGLPFOIJGU-UHFFFAOYSA-N 1 2 366.845 2.119 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCNC(=O)CC23CCOCC3)c1O ZINC000872286751 684934969 /nfs/dbraw/zinc/93/49/69/684934969.db2.gz QKNIHGLPFOIJGU-UHFFFAOYSA-N 1 2 366.845 2.119 20 10 FECDLO CC(C)[C@H](CNC(=O)NCc1cccc(Cl)c1O)[NH+]1CCOCC1 ZINC000891738383 689099425 /nfs/dbraw/zinc/09/94/25/689099425.db2.gz HLNQVSNCCZXKGT-HNNXBMFYSA-N 1 2 355.866 2.202 20 10 FECDLO O=C(NCCCNc1cccc[nH+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000054787293 540609725 /nfs/dbraw/zinc/60/97/25/540609725.db2.gz UUAZYYUVIFAENS-UHFFFAOYSA-N 1 2 369.469 2.220 20 10 FECDLO CCCN(Cc1ccccc1O)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000076322596 542260354 /nfs/dbraw/zinc/26/03/54/542260354.db2.gz RDXRKOYIXOLFJY-UHFFFAOYSA-N 1 2 368.481 2.348 20 10 FECDLO C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[N@H+](C)CCO1 ZINC000805221185 674326494 /nfs/dbraw/zinc/32/64/94/674326494.db2.gz GLFSVPRBDPDRSB-TVQRCGJNSA-N 1 2 362.257 2.217 20 10 FECDLO C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000805221185 674326496 /nfs/dbraw/zinc/32/64/96/674326496.db2.gz GLFSVPRBDPDRSB-TVQRCGJNSA-N 1 2 362.257 2.217 20 10 FECDLO COc1cc(O)c(CN2CC[NH+](Cc3c(C)noc3C)CC2)cc1OC ZINC000159977824 545997212 /nfs/dbraw/zinc/99/72/12/545997212.db2.gz RMMXUFIMKWCUPR-UHFFFAOYSA-N 1 2 361.442 2.332 20 10 FECDLO O=C1/C(=C/c2cc(F)cc(F)c2)SC(=S)N1CC[NH+]1CCOCC1 ZINC000179150275 546906577 /nfs/dbraw/zinc/90/65/77/546906577.db2.gz BZEVTUQDFJOELN-ZROIWOOFSA-N 1 2 370.446 2.498 20 10 FECDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000180013094 547039153 /nfs/dbraw/zinc/03/91/53/547039153.db2.gz XCCRANABXAJARY-UHFFFAOYSA-N 1 2 368.861 2.279 20 10 FECDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000180013094 547039157 /nfs/dbraw/zinc/03/91/57/547039157.db2.gz XCCRANABXAJARY-UHFFFAOYSA-N 1 2 368.861 2.279 20 10 FECDLO COc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)ccc1OCC(N)=O ZINC000187673616 548261571 /nfs/dbraw/zinc/26/15/71/548261571.db2.gz SRKBQISIBRRWKT-SNVBAGLBSA-N 1 2 366.364 2.394 20 10 FECDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000268417457 550062152 /nfs/dbraw/zinc/06/21/52/550062152.db2.gz CATHCSXJPBODGU-QGZVFWFLSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000268417457 550062159 /nfs/dbraw/zinc/06/21/59/550062159.db2.gz CATHCSXJPBODGU-QGZVFWFLSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000268417457 550062162 /nfs/dbraw/zinc/06/21/62/550062162.db2.gz CATHCSXJPBODGU-QGZVFWFLSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268417457 550062166 /nfs/dbraw/zinc/06/21/66/550062166.db2.gz CATHCSXJPBODGU-QGZVFWFLSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268417457 550062168 /nfs/dbraw/zinc/06/21/68/550062168.db2.gz CATHCSXJPBODGU-QGZVFWFLSA-N 1 2 370.501 2.017 20 10 FECDLO C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273397659 550496903 /nfs/dbraw/zinc/49/69/03/550496903.db2.gz MHQWQPPTWGUEEF-KBXCAEBGSA-N 1 2 371.437 2.370 20 10 FECDLO C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273397659 550496905 /nfs/dbraw/zinc/49/69/05/550496905.db2.gz MHQWQPPTWGUEEF-KBXCAEBGSA-N 1 2 371.437 2.370 20 10 FECDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000273547581 550502522 /nfs/dbraw/zinc/50/25/22/550502522.db2.gz URIGQCQMRAOTAG-AEFFLSMTSA-N 1 2 357.406 2.079 20 10 FECDLO COc1ccccc1C[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276504742 550578682 /nfs/dbraw/zinc/57/86/82/550578682.db2.gz ABMOEXCCUAOIIK-UHFFFAOYSA-N 1 2 360.385 2.204 20 10 FECDLO CN(C)c1ccc(C[N@H+](Cc2nnnn2CC(F)(F)F)C2CC2)cc1 ZINC000277567717 550685558 /nfs/dbraw/zinc/68/55/58/550685558.db2.gz XMYQHMOBZCMHEQ-UHFFFAOYSA-N 1 2 354.380 2.466 20 10 FECDLO CN(C)c1ccc(C[N@@H+](Cc2nnnn2CC(F)(F)F)C2CC2)cc1 ZINC000277567717 550685559 /nfs/dbraw/zinc/68/55/59/550685559.db2.gz XMYQHMOBZCMHEQ-UHFFFAOYSA-N 1 2 354.380 2.466 20 10 FECDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295506389 553018129 /nfs/dbraw/zinc/01/81/29/553018129.db2.gz YVMOMRPZXIQCCM-UHFFFAOYSA-N 1 2 364.870 2.431 20 10 FECDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2ccc(F)cc2O)CC1 ZINC000296639494 553191442 /nfs/dbraw/zinc/19/14/42/553191442.db2.gz XZCWCXUFQVHMMI-FNODVLLQSA-N 1 2 357.447 2.369 20 10 FECDLO CCn1cc[nH+]c1CNC(=O)NCc1cccc(Br)c1O ZINC000298532745 553436895 /nfs/dbraw/zinc/43/68/95/553436895.db2.gz VEWGQWLGHVLRMG-UHFFFAOYSA-N 1 2 353.220 2.371 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cccnc3Cl)CC2)cc1 ZINC000299504705 553572859 /nfs/dbraw/zinc/57/28/59/553572859.db2.gz PASAJWTWFCUQNP-UHFFFAOYSA-N 1 2 374.872 2.296 20 10 FECDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1 ZINC000362375137 554967141 /nfs/dbraw/zinc/96/71/41/554967141.db2.gz AVTNZWCQNXHYLR-FQEVSTJZSA-N 1 2 363.465 2.382 20 10 FECDLO CN1CCc2cc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)ccc21 ZINC000372269055 557426207 /nfs/dbraw/zinc/42/62/07/557426207.db2.gz WHUHNKMHWSOMBW-MRXNPFEDSA-N 1 2 353.470 2.290 20 10 FECDLO CN1CCc2cc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)ccc21 ZINC000372269055 557426209 /nfs/dbraw/zinc/42/62/09/557426209.db2.gz WHUHNKMHWSOMBW-MRXNPFEDSA-N 1 2 353.470 2.290 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(F)c(F)c1O ZINC000372665036 557532373 /nfs/dbraw/zinc/53/23/73/557532373.db2.gz YPKFHVSUKFWDFK-FJHFEUQMSA-N 1 2 353.369 2.042 20 10 FECDLO CCn1ncnc1CNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000373551858 557716742 /nfs/dbraw/zinc/71/67/42/557716742.db2.gz ZMLGSQLYIKKTCT-UHFFFAOYSA-N 1 2 372.473 2.117 20 10 FECDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000374259122 557853383 /nfs/dbraw/zinc/85/33/83/557853383.db2.gz NPBLIQFCOJCRRI-IBGZPJMESA-N 1 2 356.470 2.437 20 10 FECDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000374259122 557853385 /nfs/dbraw/zinc/85/33/85/557853385.db2.gz NPBLIQFCOJCRRI-IBGZPJMESA-N 1 2 356.470 2.437 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1nccs1)cc2=O ZINC000377494730 558351292 /nfs/dbraw/zinc/35/12/92/558351292.db2.gz ISXSFAVOMHPWQE-ZDUSSCGKSA-N 1 2 373.438 2.405 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1nccs1)cc2=O ZINC000377494730 558351293 /nfs/dbraw/zinc/35/12/93/558351293.db2.gz ISXSFAVOMHPWQE-ZDUSSCGKSA-N 1 2 373.438 2.405 20 10 FECDLO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)NC(=O)NC1=O ZINC000809705309 674506312 /nfs/dbraw/zinc/50/63/12/674506312.db2.gz QSSMKRRLOFOTBD-MEDUHNTESA-N 1 2 355.797 2.137 20 10 FECDLO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)NC(=O)NC1=O ZINC000809705309 674506313 /nfs/dbraw/zinc/50/63/13/674506313.db2.gz QSSMKRRLOFOTBD-MEDUHNTESA-N 1 2 355.797 2.137 20 10 FECDLO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708111241 673064075 /nfs/dbraw/zinc/06/40/75/673064075.db2.gz NRWJDDZNWWDLQT-OQPBUACISA-N 1 2 350.640 2.438 20 10 FECDLO COCc1noc(CN2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000825621118 675661356 /nfs/dbraw/zinc/66/13/56/675661356.db2.gz JCLSMQDAXLWXNP-UHFFFAOYSA-N 1 2 366.849 2.201 20 10 FECDLO Cc1cc(C(=O)C[N@H+](C)CCOCCO)c(C)n1-c1ccc(Cl)cn1 ZINC000829487358 675880691 /nfs/dbraw/zinc/88/06/91/675880691.db2.gz HHVXBZFQHABMJY-UHFFFAOYSA-N 1 2 365.861 2.266 20 10 FECDLO Cc1cc(C(=O)C[N@@H+](C)CCOCCO)c(C)n1-c1ccc(Cl)cn1 ZINC000829487358 675880693 /nfs/dbraw/zinc/88/06/93/675880693.db2.gz HHVXBZFQHABMJY-UHFFFAOYSA-N 1 2 365.861 2.266 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000832550201 680147989 /nfs/dbraw/zinc/14/79/89/680147989.db2.gz MANFYVYTCIBBBE-AWEZNQCLSA-N 1 2 353.850 2.484 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000832550201 680147993 /nfs/dbraw/zinc/14/79/93/680147993.db2.gz MANFYVYTCIBBBE-AWEZNQCLSA-N 1 2 353.850 2.484 20 10 FECDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000770690550 681023857 /nfs/dbraw/zinc/02/38/57/681023857.db2.gz YRRSUPYYRLADGP-KRWDZBQOSA-N 1 2 352.450 2.288 20 10 FECDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000770690550 681023859 /nfs/dbraw/zinc/02/38/59/681023859.db2.gz YRRSUPYYRLADGP-KRWDZBQOSA-N 1 2 352.450 2.288 20 10 FECDLO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000777472683 681495794 /nfs/dbraw/zinc/49/57/94/681495794.db2.gz XPZNPIARSWTRLS-CYBMUJFWSA-N 1 2 367.730 2.458 20 10 FECDLO O=S(=O)(C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)N1CCCC1 ZINC000877501394 686392550 /nfs/dbraw/zinc/39/25/50/686392550.db2.gz OAIPMDNFYWXMSV-UHFFFAOYSA-N 1 2 360.426 2.060 20 10 FECDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cccc(Br)c3O)C2)C1 ZINC000877714702 686443661 /nfs/dbraw/zinc/44/36/61/686443661.db2.gz QFBMGKRPRXXFBL-OAHLLOKOSA-N 1 2 369.215 2.049 20 10 FECDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccc(Br)c3O)C2)C1 ZINC000877714702 686443664 /nfs/dbraw/zinc/44/36/64/686443664.db2.gz QFBMGKRPRXXFBL-OAHLLOKOSA-N 1 2 369.215 2.049 20 10 FECDLO COc1ccc(N2CCN(CCC[NH2+]Cc3nnc(C)s3)CC2)cc1 ZINC000892462378 689199442 /nfs/dbraw/zinc/19/94/42/689199442.db2.gz PLISPQYWZGFFDV-UHFFFAOYSA-N 1 2 361.515 2.157 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000066103659 541281777 /nfs/dbraw/zinc/28/17/77/541281777.db2.gz DESMVHNWEDRJRL-UHFFFAOYSA-N 1 2 361.467 2.380 20 10 FECDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1O ZINC000120842536 543685105 /nfs/dbraw/zinc/68/51/05/543685105.db2.gz WTNBHKDHOLYZIB-CYBMUJFWSA-N 1 2 374.376 2.389 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1nccs1)cc2=O ZINC000118848503 543660490 /nfs/dbraw/zinc/66/04/90/543660490.db2.gz ZCZBZKJVQNXTFF-UHFFFAOYSA-N 1 2 361.427 2.093 20 10 FECDLO COc1ccc(N2CC[NH+](CCCS(=O)(=O)C(C)C)CC2)cc1F ZINC000122126330 543703709 /nfs/dbraw/zinc/70/37/09/543703709.db2.gz ZGCXQKCTLJHTIU-UHFFFAOYSA-N 1 2 358.479 2.170 20 10 FECDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157736 548318564 /nfs/dbraw/zinc/31/85/64/548318564.db2.gz KDICTWLDCFKXPE-MSOLQXFVSA-N 1 2 358.442 2.177 20 10 FECDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157736 548318566 /nfs/dbraw/zinc/31/85/66/548318566.db2.gz KDICTWLDCFKXPE-MSOLQXFVSA-N 1 2 358.442 2.177 20 10 FECDLO CCCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000272523053 550455728 /nfs/dbraw/zinc/45/57/28/550455728.db2.gz LSAGRGFUGPDEOH-BBRMVZONSA-N 1 2 365.426 2.108 20 10 FECDLO CCCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000272523053 550455730 /nfs/dbraw/zinc/45/57/30/550455730.db2.gz LSAGRGFUGPDEOH-BBRMVZONSA-N 1 2 365.426 2.108 20 10 FECDLO CC(=O)NCC[N@H+](Cc1cc(C)ccc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272898297 550475680 /nfs/dbraw/zinc/47/56/80/550475680.db2.gz PLYLSQDQRWFQSR-AWEZNQCLSA-N 1 2 350.459 2.369 20 10 FECDLO CC(=O)NCC[N@@H+](Cc1cc(C)ccc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272898297 550475682 /nfs/dbraw/zinc/47/56/82/550475682.db2.gz PLYLSQDQRWFQSR-AWEZNQCLSA-N 1 2 350.459 2.369 20 10 FECDLO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1c(F)ccc(O)c1O ZINC000276540931 550579108 /nfs/dbraw/zinc/57/91/08/550579108.db2.gz GEZDDISWAJAYTH-UHFFFAOYSA-N 1 2 360.385 2.364 20 10 FECDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000276669900 550583534 /nfs/dbraw/zinc/58/35/34/550583534.db2.gz URIGQCQMRAOTAG-WMZOPIPTSA-N 1 2 357.406 2.079 20 10 FECDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000276669900 550583536 /nfs/dbraw/zinc/58/35/36/550583536.db2.gz URIGQCQMRAOTAG-WMZOPIPTSA-N 1 2 357.406 2.079 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(c3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC000278155750 550754980 /nfs/dbraw/zinc/75/49/80/550754980.db2.gz CYUKSZBETHWBRW-UHFFFAOYSA-N 1 2 364.427 2.396 20 10 FECDLO CCN(CC)c1ccc(CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)cc1F ZINC000280728523 551025918 /nfs/dbraw/zinc/02/59/18/551025918.db2.gz IDNCUMQWZQUJDQ-SFHVURJKSA-N 1 2 361.465 2.325 20 10 FECDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287460966 552007022 /nfs/dbraw/zinc/00/70/22/552007022.db2.gz OXTVXDSUWJAICX-PXNSSMCTSA-N 1 2 370.497 2.067 20 10 FECDLO CC1CCN(c2ccc(CN3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)cc2)CC1 ZINC000288474747 552159667 /nfs/dbraw/zinc/15/96/67/552159667.db2.gz VDGVRWMNBJZQLL-SFHVURJKSA-N 1 2 367.453 2.309 20 10 FECDLO CC1CCN(c2ccc(CN3C(=O)N[C@@H](Cc4c[nH]c[nH+]4)C3=O)cc2)CC1 ZINC000288474747 552159668 /nfs/dbraw/zinc/15/96/68/552159668.db2.gz VDGVRWMNBJZQLL-SFHVURJKSA-N 1 2 367.453 2.309 20 10 FECDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000294897112 552942504 /nfs/dbraw/zinc/94/25/04/552942504.db2.gz WXOBNJZKMBSWKF-RUZDIDTESA-N 1 2 370.490 2.168 20 10 FECDLO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297950480 553361749 /nfs/dbraw/zinc/36/17/49/553361749.db2.gz SSBYIKQVBVYVTQ-UHFFFAOYSA-N 1 2 363.421 2.189 20 10 FECDLO COc1ccc(N2CCN(c3nc(C(C)C)[nH+]c(N(C)C)n3)CC2)cc1 ZINC000301937499 553692994 /nfs/dbraw/zinc/69/29/94/553692994.db2.gz RYTDYTQOUAJFOM-UHFFFAOYSA-N 1 2 356.474 2.396 20 10 FECDLO COc1ccc(N2CCN(c3nc(N(C)C)nc(C(C)C)[nH+]3)CC2)cc1 ZINC000301937499 553692995 /nfs/dbraw/zinc/69/29/95/553692995.db2.gz RYTDYTQOUAJFOM-UHFFFAOYSA-N 1 2 356.474 2.396 20 10 FECDLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000365266348 555527330 /nfs/dbraw/zinc/52/73/30/555527330.db2.gz KZWBDOKQPQWNLJ-SNVBAGLBSA-N 1 2 368.796 2.400 20 10 FECDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000365266348 555527332 /nfs/dbraw/zinc/52/73/32/555527332.db2.gz KZWBDOKQPQWNLJ-SNVBAGLBSA-N 1 2 368.796 2.400 20 10 FECDLO COc1ccccc1[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[NH2+]1 ZINC000374373884 557873912 /nfs/dbraw/zinc/87/39/12/557873912.db2.gz JXEFRNUBAMTACY-DYLHUKMJSA-N 1 2 354.406 2.293 20 10 FECDLO COc1ccccc1[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[NH2+]1 ZINC000374373885 557874126 /nfs/dbraw/zinc/87/41/26/557874126.db2.gz JXEFRNUBAMTACY-MNDMWVCDSA-N 1 2 354.406 2.293 20 10 FECDLO O=C(c1cccc2c1C(=O)c1ccccc1C2=O)N1CC[NH+]2CCC1CC2 ZINC000377309244 558311613 /nfs/dbraw/zinc/31/16/13/558311613.db2.gz FDICHVUJBQRTSN-UHFFFAOYSA-N 1 2 360.413 2.382 20 10 FECDLO CN(C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)S(C)(=O)=O ZINC000809688994 674505301 /nfs/dbraw/zinc/50/53/01/674505301.db2.gz SRPOBJNOJZEFAQ-NSHDSACASA-N 1 2 364.870 2.288 20 10 FECDLO CN(C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)S(C)(=O)=O ZINC000809688994 674505302 /nfs/dbraw/zinc/50/53/02/674505302.db2.gz SRPOBJNOJZEFAQ-NSHDSACASA-N 1 2 364.870 2.288 20 10 FECDLO C[N@H+](Cc1cccc(Br)c1O)CC(C)(C)S(C)(=O)=O ZINC000093772641 670754763 /nfs/dbraw/zinc/75/47/63/670754763.db2.gz LQSUXTBMZAEROG-UHFFFAOYSA-N 1 2 350.278 2.410 20 10 FECDLO C[N@@H+](Cc1cccc(Br)c1O)CC(C)(C)S(C)(=O)=O ZINC000093772641 670754770 /nfs/dbraw/zinc/75/47/70/670754770.db2.gz LQSUXTBMZAEROG-UHFFFAOYSA-N 1 2 350.278 2.410 20 10 FECDLO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000159286757 672279925 /nfs/dbraw/zinc/27/99/25/672279925.db2.gz FYLXGPZAQOCQAT-UHFFFAOYSA-N 1 2 364.442 2.346 20 10 FECDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000824608657 675613391 /nfs/dbraw/zinc/61/33/91/675613391.db2.gz LNHZQTQXAUYMTG-HSZRJFAPSA-N 1 2 359.875 2.322 20 10 FECDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c1O ZINC000824982580 675631868 /nfs/dbraw/zinc/63/18/68/675631868.db2.gz IAGMPAGYVDBEEK-INIZCTEOSA-N 1 2 359.875 2.455 20 10 FECDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c1O ZINC000824982580 675631870 /nfs/dbraw/zinc/63/18/70/675631870.db2.gz IAGMPAGYVDBEEK-INIZCTEOSA-N 1 2 359.875 2.455 20 10 FECDLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000829022223 675859788 /nfs/dbraw/zinc/85/97/88/675859788.db2.gz VASRUMKFGWFDAS-GFCCVEGCSA-N 1 2 350.369 2.339 20 10 FECDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc[nH]1 ZINC000836191838 680433937 /nfs/dbraw/zinc/43/39/37/680433937.db2.gz KBGYQHRIOMYYLV-AWEZNQCLSA-N 1 2 361.829 2.337 20 10 FECDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc[nH]1 ZINC000836191838 680433941 /nfs/dbraw/zinc/43/39/41/680433941.db2.gz KBGYQHRIOMYYLV-AWEZNQCLSA-N 1 2 361.829 2.337 20 10 FECDLO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000756536950 680483499 /nfs/dbraw/zinc/48/34/99/680483499.db2.gz XVNVRSMTGMOBKN-QMMMGPOBSA-N 1 2 354.241 2.379 20 10 FECDLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000784055181 682196635 /nfs/dbraw/zinc/19/66/35/682196635.db2.gz HTBGVCURGVOJTC-ZETCQYMHSA-N 1 2 371.684 2.008 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000852652630 682313308 /nfs/dbraw/zinc/31/33/08/682313308.db2.gz AEDQTJATDPAZMZ-AWEZNQCLSA-N 1 2 353.850 2.436 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000852652630 682313314 /nfs/dbraw/zinc/31/33/14/682313314.db2.gz AEDQTJATDPAZMZ-AWEZNQCLSA-N 1 2 353.850 2.436 20 10 FECDLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000789768322 682629896 /nfs/dbraw/zinc/62/98/96/682629896.db2.gz HCVFBCFHIMMLNR-ZDUSSCGKSA-N 1 2 362.854 2.185 20 10 FECDLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000789768322 682629899 /nfs/dbraw/zinc/62/98/99/682629899.db2.gz HCVFBCFHIMMLNR-ZDUSSCGKSA-N 1 2 362.854 2.185 20 10 FECDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922950550 683810127 /nfs/dbraw/zinc/81/01/27/683810127.db2.gz NEPMZICHQHQKHG-CQSZACIVSA-N 1 2 355.276 2.498 20 10 FECDLO O=S1(=O)CCC(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883076905 687558048 /nfs/dbraw/zinc/55/80/48/687558048.db2.gz QLSQXQNBBNGSPQ-UHFFFAOYSA-N 1 2 366.252 2.208 20 10 FECDLO C[NH+]1CCC([N@H+](CCO)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893863307 689419619 /nfs/dbraw/zinc/41/96/19/689419619.db2.gz FCEDSSZOOVRREE-UHFFFAOYSA-N 1 2 361.255 2.182 20 10 FECDLO C[NH+]1CCC([N@@H+](CCO)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893863307 689419623 /nfs/dbraw/zinc/41/96/23/689419623.db2.gz FCEDSSZOOVRREE-UHFFFAOYSA-N 1 2 361.255 2.182 20 10 FECDLO O=c1cc(N2CC[C@H]([NH2+]Cc3cccc(Br)c3O)C2)nc[nH]1 ZINC000898159066 690136084 /nfs/dbraw/zinc/13/60/84/690136084.db2.gz MNOFOCQFMNPMMA-NSHDSACASA-N 1 2 365.231 2.019 20 10 FECDLO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc(F)cc(F)c3O)C2)c1Cl ZINC000898370705 690169317 /nfs/dbraw/zinc/16/93/17/690169317.db2.gz BNNBYGBKKHJGKC-JTQLQIEISA-N 1 2 356.760 2.188 20 10 FECDLO Cn1ncc2c1nc[nH+]c2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000052446632 540466667 /nfs/dbraw/zinc/46/66/67/540466667.db2.gz ZAIQUOXHJRFESK-UHFFFAOYSA-N 1 2 352.442 2.184 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000804735613 674299287 /nfs/dbraw/zinc/29/92/87/674299287.db2.gz BBJHTLXRFPHQQL-JTQLQIEISA-N 1 2 350.216 2.230 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000267356209 550030138 /nfs/dbraw/zinc/03/01/38/550030138.db2.gz HHBIMQCEHIAIEK-GFCCVEGCSA-N 1 2 374.890 2.009 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000267356209 550030141 /nfs/dbraw/zinc/03/01/41/550030141.db2.gz HHBIMQCEHIAIEK-GFCCVEGCSA-N 1 2 374.890 2.009 20 10 FECDLO CCOC(=O)C1(O)CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000267364212 550030622 /nfs/dbraw/zinc/03/06/22/550030622.db2.gz IUKZOJBUKGSLTL-UHFFFAOYSA-N 1 2 355.818 2.138 20 10 FECDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000269272190 550174750 /nfs/dbraw/zinc/17/47/50/550174750.db2.gz MAUXAYPEEVHAIX-UHFFFAOYSA-N 1 2 372.425 2.002 20 10 FECDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000284453034 551552653 /nfs/dbraw/zinc/55/26/53/551552653.db2.gz UMCYGUZXJDWAPO-UHFFFAOYSA-N 1 2 364.442 2.340 20 10 FECDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000284453034 551552655 /nfs/dbraw/zinc/55/26/55/551552655.db2.gz UMCYGUZXJDWAPO-UHFFFAOYSA-N 1 2 364.442 2.340 20 10 FECDLO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(F)c(F)c1O ZINC000285724474 551801607 /nfs/dbraw/zinc/80/16/07/551801607.db2.gz QIKYSXXETIAPDV-GHMZBOCLSA-N 1 2 360.426 2.278 20 10 FECDLO COc1cc[nH+]cc1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000293343533 552813378 /nfs/dbraw/zinc/81/33/78/552813378.db2.gz LFTSXOBTCJXYTN-QPJJXVBHSA-N 1 2 353.422 2.256 20 10 FECDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294898884 552942481 /nfs/dbraw/zinc/94/24/81/552942481.db2.gz MJDNBKQHKUKSGW-UHFFFAOYSA-N 1 2 364.870 2.479 20 10 FECDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000294897115 552942531 /nfs/dbraw/zinc/94/25/31/552942531.db2.gz WXOBNJZKMBSWKF-VWLOTQADSA-N 1 2 370.490 2.168 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000298832063 553478675 /nfs/dbraw/zinc/47/86/75/553478675.db2.gz VVKQFBXWRDDMGI-QGZVFWFLSA-N 1 2 369.469 2.188 20 10 FECDLO COc1ccc([NH+]2CCC(Nc3nnc(Cl)cc3C(N)=O)CC2)cc1 ZINC000301430253 553650859 /nfs/dbraw/zinc/65/08/59/553650859.db2.gz GCMDSEFQBLQDNV-UHFFFAOYSA-N 1 2 361.833 2.318 20 10 FECDLO C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000302888655 553740687 /nfs/dbraw/zinc/74/06/87/553740687.db2.gz MSQWRSRRSUBUQF-MRXNPFEDSA-N 1 2 369.469 2.323 20 10 FECDLO C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(N2CCOCC2)cc1 ZINC000302888655 553740689 /nfs/dbraw/zinc/74/06/89/553740689.db2.gz MSQWRSRRSUBUQF-MRXNPFEDSA-N 1 2 369.469 2.323 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3nc(C)c(C)[nH]c3=O)CC2)cc1 ZINC000362351938 554965592 /nfs/dbraw/zinc/96/55/92/554965592.db2.gz LFXHEHMMOIWZTE-UHFFFAOYSA-N 1 2 370.453 2.136 20 10 FECDLO C[C@H](NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000364941233 555444777 /nfs/dbraw/zinc/44/47/77/555444777.db2.gz FJRPJDAZDRGAKU-IRXDYDNUSA-N 1 2 372.513 2.270 20 10 FECDLO CN(C)c1ccc(C2=CC[N@H+](Cc3nnnn3CC3CCOCC3)C2)cc1 ZINC000369728953 556679143 /nfs/dbraw/zinc/67/91/43/556679143.db2.gz FPRTYDZATRBUPC-UHFFFAOYSA-N 1 2 368.485 2.065 20 10 FECDLO CN(C)c1ccc(C2=CC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)cc1 ZINC000369728953 556679145 /nfs/dbraw/zinc/67/91/45/556679145.db2.gz FPRTYDZATRBUPC-UHFFFAOYSA-N 1 2 368.485 2.065 20 10 FECDLO CN1CCCc2cc(CNC(=O)C3(N4CC[NH+](C)CC4)CCCC3)ccc21 ZINC000371820800 557303363 /nfs/dbraw/zinc/30/33/63/557303363.db2.gz PQWPUOSKKRYREV-UHFFFAOYSA-N 1 2 370.541 2.245 20 10 FECDLO COc1ccccc1[C@@H](NC(=O)c1cccc(O)c1O)c1[nH+]ccn1C ZINC000375669757 558064925 /nfs/dbraw/zinc/06/49/25/558064925.db2.gz VFXDUGXAANGBIO-MRXNPFEDSA-N 1 2 353.378 2.359 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213683 558290073 /nfs/dbraw/zinc/29/00/73/558290073.db2.gz IVGDGNQSLKLHLH-SJCJKPOMSA-N 1 2 352.387 2.079 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213683 558290074 /nfs/dbraw/zinc/29/00/74/558290074.db2.gz IVGDGNQSLKLHLH-SJCJKPOMSA-N 1 2 352.387 2.079 20 10 FECDLO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)c1O ZINC000377676176 558394122 /nfs/dbraw/zinc/39/41/22/558394122.db2.gz PQRCORWMHKLVGR-OAHLLOKOSA-N 1 2 367.405 2.085 20 10 FECDLO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)c1O ZINC000377676176 558394124 /nfs/dbraw/zinc/39/41/24/558394124.db2.gz PQRCORWMHKLVGR-OAHLLOKOSA-N 1 2 367.405 2.085 20 10 FECDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(Br)c1O ZINC000093421121 670753075 /nfs/dbraw/zinc/75/30/75/670753075.db2.gz XXDJLLZLNAKBQE-UWVGGRQHSA-N 1 2 350.278 2.408 20 10 FECDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(Br)c1O ZINC000093421121 670753076 /nfs/dbraw/zinc/75/30/76/670753076.db2.gz XXDJLLZLNAKBQE-UWVGGRQHSA-N 1 2 350.278 2.408 20 10 FECDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(Br)c1O ZINC000093421119 670753152 /nfs/dbraw/zinc/75/31/52/670753152.db2.gz XXDJLLZLNAKBQE-NXEZZACHSA-N 1 2 350.278 2.408 20 10 FECDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(Br)c1O ZINC000093421119 670753154 /nfs/dbraw/zinc/75/31/54/670753154.db2.gz XXDJLLZLNAKBQE-NXEZZACHSA-N 1 2 350.278 2.408 20 10 FECDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093843366 670755881 /nfs/dbraw/zinc/75/58/81/670755881.db2.gz IBVQHTDDJPSBRW-CQSZACIVSA-N 1 2 351.878 2.174 20 10 FECDLO CCN(CC)C(=O)CN1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824542926 675609626 /nfs/dbraw/zinc/60/96/26/675609626.db2.gz ZYURTZIMYLWFFD-UHFFFAOYSA-N 1 2 353.894 2.340 20 10 FECDLO COc1cccc(C[NH2+]Cc2nn(C)cc2I)c1O ZINC000825079255 675635864 /nfs/dbraw/zinc/63/58/64/675635864.db2.gz PJRJJFUNEGNCAP-UHFFFAOYSA-N 1 2 373.194 2.029 20 10 FECDLO Cc1cc(O)c(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1Cl ZINC000825385119 675649895 /nfs/dbraw/zinc/64/98/95/675649895.db2.gz RHHRVNASKATLNV-UHFFFAOYSA-N 1 2 350.850 2.495 20 10 FECDLO CCc1cccc(C[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1O ZINC000827775184 675777468 /nfs/dbraw/zinc/77/74/68/675777468.db2.gz DEMWFTBSJHEVAF-UHFFFAOYSA-N 1 2 352.481 2.222 20 10 FECDLO CCc1cccc(C[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1O ZINC000827775184 675777470 /nfs/dbraw/zinc/77/74/70/675777470.db2.gz DEMWFTBSJHEVAF-UHFFFAOYSA-N 1 2 352.481 2.222 20 10 FECDLO Cc1cc(O)c(C[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)cc1C ZINC000827775850 675777647 /nfs/dbraw/zinc/77/76/47/675777647.db2.gz JKOLQLOBLCYZCS-UHFFFAOYSA-N 1 2 352.481 2.276 20 10 FECDLO Cc1cc(O)c(C[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)cc1C ZINC000827775850 675777648 /nfs/dbraw/zinc/77/76/48/675777648.db2.gz JKOLQLOBLCYZCS-UHFFFAOYSA-N 1 2 352.481 2.276 20 10 FECDLO Cc1cc(O)c(CNc2cnn(CC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000840906829 680851945 /nfs/dbraw/zinc/85/19/45/680851945.db2.gz IWOJZDKFOJFPCJ-UHFFFAOYSA-N 1 2 350.850 2.495 20 10 FECDLO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1O ZINC000756776439 680497318 /nfs/dbraw/zinc/49/73/18/680497318.db2.gz PGLYEMKTAWRQEY-OQPBUACISA-N 1 2 358.211 2.412 20 10 FECDLO Oc1cc2c(cc1C[NH+]1CCN(CCc3cccs3)CC1)[C@H](O)CO2 ZINC000768443755 680947056 /nfs/dbraw/zinc/94/70/56/680947056.db2.gz UAGRKNLJDCOTSD-GOSISDBHSA-N 1 2 360.479 2.240 20 10 FECDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781914729 681988464 /nfs/dbraw/zinc/98/84/64/681988464.db2.gz ZAQMYAYDQFSEHI-UHFFFAOYSA-N 1 2 350.278 2.330 20 10 FECDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781914729 681988471 /nfs/dbraw/zinc/98/84/71/681988471.db2.gz ZAQMYAYDQFSEHI-UHFFFAOYSA-N 1 2 350.278 2.330 20 10 FECDLO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cccc(Br)c2O)[nH]1 ZINC000922409146 683716707 /nfs/dbraw/zinc/71/67/07/683716707.db2.gz JZUZHZPYVGZDDK-BXUZGUMPSA-N 1 2 367.247 2.449 20 10 FECDLO COc1ccc(C[NH+]2CCN(C(=O)OCC(C)C)CC2)c(O)c1OC ZINC000891864466 689119044 /nfs/dbraw/zinc/11/90/44/689119044.db2.gz QPZGEFJERWBRBE-UHFFFAOYSA-N 1 2 352.431 2.320 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3sc(C)nc3C)CC2)cc1 ZINC000038588237 539999448 /nfs/dbraw/zinc/99/94/48/539999448.db2.gz PBLGKGQPJWHCMK-UHFFFAOYSA-N 1 2 374.510 2.321 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCc3ccnn3C)CC2)cc1 ZINC000066179539 541287531 /nfs/dbraw/zinc/28/75/31/541287531.db2.gz PFLROKCJGVWNHM-UHFFFAOYSA-N 1 2 357.458 2.239 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCCc3cnn(C)c3)CC2)cc1 ZINC000066179859 541287600 /nfs/dbraw/zinc/28/76/00/541287600.db2.gz YESVQXAGYDETOY-UHFFFAOYSA-N 1 2 371.485 2.282 20 10 FECDLO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000080908470 542614236 /nfs/dbraw/zinc/61/42/36/542614236.db2.gz AWXJMAMEBBUTBS-GOSISDBHSA-N 1 2 368.481 2.426 20 10 FECDLO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000080908480 542614545 /nfs/dbraw/zinc/61/45/45/542614545.db2.gz AWXJMAMEBBUTBS-SFHVURJKSA-N 1 2 368.481 2.426 20 10 FECDLO Cc1cc(NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000179642929 546990143 /nfs/dbraw/zinc/99/01/43/546990143.db2.gz BDLHVYRQYOJLAI-UHFFFAOYSA-N 1 2 364.833 2.098 20 10 FECDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1O ZINC000187790316 548263637 /nfs/dbraw/zinc/26/36/37/548263637.db2.gz DNVVOXIHUPISOM-GXFFZTMASA-N 1 2 350.369 2.250 20 10 FECDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271208797 550352642 /nfs/dbraw/zinc/35/26/42/550352642.db2.gz XEHZLTWXPMTEGY-SECBINFHSA-N 1 2 353.271 2.200 20 10 FECDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271208797 550352645 /nfs/dbraw/zinc/35/26/45/550352645.db2.gz XEHZLTWXPMTEGY-SECBINFHSA-N 1 2 353.271 2.200 20 10 FECDLO COC(=O)N1CCN(c2ccc(NCc3cccc(OC)c3O)c[nH+]2)CC1 ZINC000293047452 552783883 /nfs/dbraw/zinc/78/38/83/552783883.db2.gz RHRAWDKUIQAPNW-UHFFFAOYSA-N 1 2 372.425 2.296 20 10 FECDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296703583 553200394 /nfs/dbraw/zinc/20/03/94/553200394.db2.gz IIEJFWXTALULOT-SJLPKXTDSA-N 1 2 360.479 2.493 20 10 FECDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296703583 553200395 /nfs/dbraw/zinc/20/03/95/553200395.db2.gz IIEJFWXTALULOT-SJLPKXTDSA-N 1 2 360.479 2.493 20 10 FECDLO COc1ccc(N2CCC(Nc3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000301281682 553638520 /nfs/dbraw/zinc/63/85/20/553638520.db2.gz KVBBXCRVAMJSEN-UHFFFAOYSA-N 1 2 369.469 2.403 20 10 FECDLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000364232784 555275404 /nfs/dbraw/zinc/27/54/04/555275404.db2.gz AIIZOXGJMRGMSN-INIZCTEOSA-N 1 2 355.442 2.496 20 10 FECDLO NC(=O)c1noc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000364232784 555275406 /nfs/dbraw/zinc/27/54/06/555275406.db2.gz AIIZOXGJMRGMSN-INIZCTEOSA-N 1 2 355.442 2.496 20 10 FECDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000364813516 555407123 /nfs/dbraw/zinc/40/71/23/555407123.db2.gz ARFPITJXCIRKGF-UHFFFAOYSA-N 1 2 366.421 2.021 20 10 FECDLO COc1ccc([NH+]2CCC(Nc3cnc(OC)c(C(N)=O)c3)CC2)cc1 ZINC000368062597 556208624 /nfs/dbraw/zinc/20/86/24/556208624.db2.gz PYOALTTVBQTNBY-UHFFFAOYSA-N 1 2 356.426 2.279 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000369350178 556576308 /nfs/dbraw/zinc/57/63/08/556576308.db2.gz RMRHOINJPWTEOO-FVINQWEUSA-N 1 2 362.289 2.364 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000369350178 556576311 /nfs/dbraw/zinc/57/63/11/556576311.db2.gz RMRHOINJPWTEOO-FVINQWEUSA-N 1 2 362.289 2.364 20 10 FECDLO O=S1(=O)CCCN1C1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000371508278 557204395 /nfs/dbraw/zinc/20/43/95/557204395.db2.gz HYJPNPLCAKHFNI-UHFFFAOYSA-N 1 2 358.891 2.482 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCCc3cnccn3)CC2)cc1 ZINC000371543747 557216113 /nfs/dbraw/zinc/21/61/13/557216113.db2.gz CKSBKSOLOUXDHG-UHFFFAOYSA-N 1 2 369.469 2.338 20 10 FECDLO COc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(O)c1 ZINC000375668234 558064571 /nfs/dbraw/zinc/06/45/71/558064571.db2.gz DQHMFLNJHOIIKF-UHFFFAOYSA-N 1 2 356.426 2.264 20 10 FECDLO COc1ccc(N2CCCN(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000378097344 558480660 /nfs/dbraw/zinc/48/06/60/558480660.db2.gz UTAXCTIYELMHIJ-OAHLLOKOSA-N 1 2 369.469 2.198 20 10 FECDLO COc1ccc(N2CCCN(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)cc1 ZINC000378097344 558480663 /nfs/dbraw/zinc/48/06/63/558480663.db2.gz UTAXCTIYELMHIJ-OAHLLOKOSA-N 1 2 369.469 2.198 20 10 FECDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)nn1 ZINC000816569708 675065887 /nfs/dbraw/zinc/06/58/87/675065887.db2.gz UJUJKFQXTOBOIU-SNVBAGLBSA-N 1 2 354.769 2.010 20 10 FECDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)nn1 ZINC000816569708 675065890 /nfs/dbraw/zinc/06/58/90/675065890.db2.gz UJUJKFQXTOBOIU-SNVBAGLBSA-N 1 2 354.769 2.010 20 10 FECDLO O=S1(=O)CC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708196825 673065595 /nfs/dbraw/zinc/06/55/95/673065595.db2.gz LLBIETZOGDBDJH-VIFPVBQESA-N 1 2 354.653 2.085 20 10 FECDLO COc1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824856419 675625464 /nfs/dbraw/zinc/62/54/64/675625464.db2.gz WVGDXOPRSYDGHC-RUZDIDTESA-N 1 2 368.543 2.194 20 10 FECDLO COc1cc(C[NH+]2CCN(CC[S@@](C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824856419 675625465 /nfs/dbraw/zinc/62/54/65/675625465.db2.gz WVGDXOPRSYDGHC-RUZDIDTESA-N 1 2 368.543 2.194 20 10 FECDLO CN(C)c1ccc(C[NH2+]Cc2nn(C)cc2I)cc1 ZINC000825079240 675635883 /nfs/dbraw/zinc/63/58/83/675635883.db2.gz OTLDSTBULHHGSJ-UHFFFAOYSA-N 1 2 370.238 2.381 20 10 FECDLO Cc1cc(Br)cc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1O ZINC000827118506 675730864 /nfs/dbraw/zinc/73/08/64/675730864.db2.gz CJJWLUSZWKFCAA-HNNXBMFYSA-N 1 2 355.276 2.370 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000832550202 680147877 /nfs/dbraw/zinc/14/78/77/680147877.db2.gz MANFYVYTCIBBBE-CQSZACIVSA-N 1 2 353.850 2.484 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000832550202 680147880 /nfs/dbraw/zinc/14/78/80/680147880.db2.gz MANFYVYTCIBBBE-CQSZACIVSA-N 1 2 353.850 2.484 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Br)cc(F)c1O ZINC000756371858 680474802 /nfs/dbraw/zinc/47/48/02/680474802.db2.gz NYLGCTATQIFOFJ-IUCAKERBSA-N 1 2 366.252 2.379 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(F)cc(F)c1O ZINC000756840188 680500890 /nfs/dbraw/zinc/50/08/90/680500890.db2.gz UQVQONBMLLEGRE-YAXFVEMYSA-N 1 2 353.369 2.042 20 10 FECDLO O=C(NCc1cccc(Br)c1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844136432 681040918 /nfs/dbraw/zinc/04/09/18/681040918.db2.gz GRYIPSDXWCGVGA-LLVKDONJSA-N 1 2 350.216 2.230 20 10 FECDLO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2nc(N)nc(Cl)n2)cc1 ZINC000844401400 681056702 /nfs/dbraw/zinc/05/67/02/681056702.db2.gz KUQMJYDSCNYTGC-LLVKDONJSA-N 1 2 350.854 2.245 20 10 FECDLO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2nc(N)nc(Cl)n2)cc1 ZINC000844401400 681056703 /nfs/dbraw/zinc/05/67/03/681056703.db2.gz KUQMJYDSCNYTGC-LLVKDONJSA-N 1 2 350.854 2.245 20 10 FECDLO COCCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000775644186 681320661 /nfs/dbraw/zinc/32/06/61/681320661.db2.gz GAQSJOUBKCGBEZ-ZDUSSCGKSA-N 1 2 365.854 2.210 20 10 FECDLO COCCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000775644186 681320667 /nfs/dbraw/zinc/32/06/67/681320667.db2.gz GAQSJOUBKCGBEZ-ZDUSSCGKSA-N 1 2 365.854 2.210 20 10 FECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)[C@H]1CCOC1 ZINC000851841865 682157723 /nfs/dbraw/zinc/15/77/23/682157723.db2.gz YPTYMHNGWFOMSX-BLLLJJGKSA-N 1 2 357.834 2.072 20 10 FECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)[C@H]1CCOC1 ZINC000851841865 682157725 /nfs/dbraw/zinc/15/77/25/682157725.db2.gz YPTYMHNGWFOMSX-BLLLJJGKSA-N 1 2 357.834 2.072 20 10 FECDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000854442203 682551749 /nfs/dbraw/zinc/55/17/49/682551749.db2.gz KGOYKOSLYVMJCN-VXGBXAGGSA-N 1 2 350.216 2.308 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C[C@@H]2C1 ZINC000877791486 686462188 /nfs/dbraw/zinc/46/21/88/686462188.db2.gz QNBZLYTXDJNLMY-NWDGAFQWSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3ccc(Br)cc3O)C[C@@H]2C1 ZINC000877791486 686462190 /nfs/dbraw/zinc/46/21/90/686462190.db2.gz QNBZLYTXDJNLMY-NWDGAFQWSA-N 1 2 360.273 2.021 20 10 FECDLO CN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043142109 540091670 /nfs/dbraw/zinc/09/16/70/540091670.db2.gz DPYCJBDWNJGRSF-IBGZPJMESA-N 1 2 369.465 2.435 20 10 FECDLO CN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043142109 540091672 /nfs/dbraw/zinc/09/16/72/540091672.db2.gz DPYCJBDWNJGRSF-IBGZPJMESA-N 1 2 369.465 2.435 20 10 FECDLO COC(=O)c1cc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)oc1C ZINC000073105374 541918835 /nfs/dbraw/zinc/91/88/35/541918835.db2.gz JHIUXQLPZHZPON-UHFFFAOYSA-N 1 2 373.453 2.189 20 10 FECDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)oc1C ZINC000073105374 541918839 /nfs/dbraw/zinc/91/88/39/541918839.db2.gz JHIUXQLPZHZPON-UHFFFAOYSA-N 1 2 373.453 2.189 20 10 FECDLO COc1ccc(N2CC[NH+](Cc3ccc(C(=O)N(C)C)[nH]3)CC2)cc1F ZINC000091923164 542832639 /nfs/dbraw/zinc/83/26/39/542832639.db2.gz MSHGPDSZHFZGJJ-UHFFFAOYSA-N 1 2 360.433 2.186 20 10 FECDLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000136022692 544364848 /nfs/dbraw/zinc/36/48/48/544364848.db2.gz OTOVGWOJMBCSRF-MAUKXSAKSA-N 1 2 355.438 2.359 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000804732906 674298976 /nfs/dbraw/zinc/29/89/76/674298976.db2.gz DZEWHMRJCZSOBA-JTQLQIEISA-N 1 2 350.216 2.230 20 10 FECDLO C[C@@H](C(=O)NCc1ccc(O)c(O)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159139577 545925278 /nfs/dbraw/zinc/92/52/78/545925278.db2.gz ICYJDUGZWYPTQJ-AWEZNQCLSA-N 1 2 373.428 2.064 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3cccnc3)CC2)cc1 ZINC000179139691 546904688 /nfs/dbraw/zinc/90/46/88/546904688.db2.gz KRSIFSDBWAPBSR-QGZVFWFLSA-N 1 2 368.481 2.432 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)c3cccnc3)CC2)cc1 ZINC000179139691 546904692 /nfs/dbraw/zinc/90/46/92/546904692.db2.gz KRSIFSDBWAPBSR-QGZVFWFLSA-N 1 2 368.481 2.432 20 10 FECDLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(F)c(F)c3O)C2=O)n(C)n1 ZINC000187791090 548263957 /nfs/dbraw/zinc/26/39/57/548263957.db2.gz HLRFPVRHKSOOLD-GWCFXTLKSA-N 1 2 350.369 2.168 20 10 FECDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)[C@H](C(=O)OC)C1 ZINC000272536323 550456487 /nfs/dbraw/zinc/45/64/87/550456487.db2.gz OGAXXDNICMQTON-FZMZJTMJSA-N 1 2 355.818 2.281 20 10 FECDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)[C@H](C(=O)OC)C1 ZINC000272536323 550456488 /nfs/dbraw/zinc/45/64/88/550456488.db2.gz OGAXXDNICMQTON-FZMZJTMJSA-N 1 2 355.818 2.281 20 10 FECDLO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1O ZINC000273411010 550497686 /nfs/dbraw/zinc/49/76/86/550497686.db2.gz POXBMMHSEUWBIR-CYBMUJFWSA-N 1 2 358.398 2.383 20 10 FECDLO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922679 550611385 /nfs/dbraw/zinc/61/13/85/550611385.db2.gz MTXFZTXEUCHGJY-IUODEOHRSA-N 1 2 355.429 2.264 20 10 FECDLO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922679 550611386 /nfs/dbraw/zinc/61/13/86/550611386.db2.gz MTXFZTXEUCHGJY-IUODEOHRSA-N 1 2 355.429 2.264 20 10 FECDLO CN(C)C(=O)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000278425902 550784698 /nfs/dbraw/zinc/78/46/98/550784698.db2.gz SIWSDIDKHPICOF-UHFFFAOYSA-N 1 2 356.264 2.390 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)CCc3[nH]cc[nH+]3)cc2F)C[C@@H](C)O1 ZINC000279144299 550858584 /nfs/dbraw/zinc/85/85/84/550858584.db2.gz GOKMRDPCIROIEM-ZIAGYGMSSA-N 1 2 360.433 2.411 20 10 FECDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)nc1 ZINC000286420867 551884684 /nfs/dbraw/zinc/88/46/84/551884684.db2.gz MHZOBNMTRDLKBB-UHFFFAOYSA-N 1 2 359.401 2.338 20 10 FECDLO COc1c(O)c(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)ccc1[N+](=O)[O-] ZINC000290986768 552572782 /nfs/dbraw/zinc/57/27/82/552572782.db2.gz UPZIFBQHPDXIQR-JTQLQIEISA-N 1 2 366.374 2.468 20 10 FECDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294845428 552938469 /nfs/dbraw/zinc/93/84/69/552938469.db2.gz ZMROXBIMIBEDRW-LLVKDONJSA-N 1 2 350.843 2.041 20 10 FECDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294845428 552938468 /nfs/dbraw/zinc/93/84/68/552938468.db2.gz ZMROXBIMIBEDRW-LLVKDONJSA-N 1 2 350.843 2.041 20 10 FECDLO COc1ccc(N2CCCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000302874791 553738777 /nfs/dbraw/zinc/73/87/77/553738777.db2.gz DPOJKTXQGRPTLF-UHFFFAOYSA-N 1 2 369.469 2.039 20 10 FECDLO COc1ccc(N2CCCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000302874791 553738778 /nfs/dbraw/zinc/73/87/78/553738778.db2.gz DPOJKTXQGRPTLF-UHFFFAOYSA-N 1 2 369.469 2.039 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000363472939 555113844 /nfs/dbraw/zinc/11/38/44/555113844.db2.gz WKDBDWGDILUYQZ-UHFFFAOYSA-N 1 2 367.515 2.327 20 10 FECDLO CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000367894531 556167128 /nfs/dbraw/zinc/16/71/28/556167128.db2.gz DKYIXYIFQRSVDK-YJBOKZPZSA-N 1 2 367.921 2.493 20 10 FECDLO COc1cc(Cl)cc(CN2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1O ZINC000368626886 556367754 /nfs/dbraw/zinc/36/77/54/556367754.db2.gz VECQFSDKPLJHFH-UHFFFAOYSA-N 1 2 369.893 2.087 20 10 FECDLO CCCn1nc2c(cc1=O)C[N@H+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC000370217031 556813863 /nfs/dbraw/zinc/81/38/63/556813863.db2.gz WWZIXQMTWBCUIW-UHFFFAOYSA-N 1 2 359.401 2.259 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccc(=O)n3C)CC2)cc1 ZINC000372299431 557433427 /nfs/dbraw/zinc/43/34/27/557433427.db2.gz YXTVXJAUKGKNFP-UHFFFAOYSA-N 1 2 355.438 2.135 20 10 FECDLO COc1c(O)c(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000375716517 558072205 /nfs/dbraw/zinc/07/22/05/558072205.db2.gz CGFMLNWKVYPISS-BPLDGKMQSA-N 1 2 352.387 2.077 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000375716517 558072207 /nfs/dbraw/zinc/07/22/07/558072207.db2.gz CGFMLNWKVYPISS-BPLDGKMQSA-N 1 2 352.387 2.077 20 10 FECDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000376213757 558142208 /nfs/dbraw/zinc/14/22/08/558142208.db2.gz ZZENBBUVMBDTKP-KRZKXXONSA-N 1 2 366.465 2.427 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000472223566 561021407 /nfs/dbraw/zinc/02/14/07/561021407.db2.gz UADSJDRSIRZMSY-OAHLLOKOSA-N 1 2 358.486 2.349 20 10 FECDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000530101010 562398276 /nfs/dbraw/zinc/39/82/76/562398276.db2.gz CLZPBOFQEJCOOF-UHFFFAOYSA-N 1 2 368.499 2.005 20 10 FECDLO Cc1cc(NC(=O)CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000123131583 671975658 /nfs/dbraw/zinc/97/56/58/671975658.db2.gz IOUVEBGGZPXIFK-UHFFFAOYSA-N 1 2 364.833 2.098 20 10 FECDLO C[C@H](NC(=O)NCCCSc1nccs1)[C@H](C)[NH+]1CCOCC1 ZINC000153305068 672196284 /nfs/dbraw/zinc/19/62/84/672196284.db2.gz PFHAEKMDKRZYPZ-STQMWFEESA-N 1 2 358.533 2.034 20 10 FECDLO CCN(CC)c1ccc(C[N@@H+]2CCCN(CCOC)C(=O)C2)cc1F ZINC000191704048 672673880 /nfs/dbraw/zinc/67/38/80/672673880.db2.gz YUJAPXKHLJCFLS-UHFFFAOYSA-N 1 2 351.466 2.353 20 10 FECDLO CCN(CC)c1ccc(C[N@H+]2CCCN(CCOC)C(=O)C2)cc1F ZINC000191704048 672673881 /nfs/dbraw/zinc/67/38/81/672673881.db2.gz YUJAPXKHLJCFLS-UHFFFAOYSA-N 1 2 351.466 2.353 20 10 FECDLO Cn1ccnc1CN1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824719432 675618265 /nfs/dbraw/zinc/61/82/65/675618265.db2.gz FDSKATHYHRGZSB-UHFFFAOYSA-N 1 2 365.275 2.206 20 10 FECDLO COC(=O)C[N@H+](CCC(=O)N1CCCC1)Cc1cc(Cl)ccc1O ZINC000838893525 680725940 /nfs/dbraw/zinc/72/59/40/680725940.db2.gz DKSHISBBXNIFCW-UHFFFAOYSA-N 1 2 354.834 2.033 20 10 FECDLO COC(=O)C[N@@H+](CCC(=O)N1CCCC1)Cc1cc(Cl)ccc1O ZINC000838893525 680725942 /nfs/dbraw/zinc/72/59/42/680725942.db2.gz DKSHISBBXNIFCW-UHFFFAOYSA-N 1 2 354.834 2.033 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)c(Cl)c1 ZINC000840910981 680852177 /nfs/dbraw/zinc/85/21/77/680852177.db2.gz ZGKAEKSCUZAITN-CYBMUJFWSA-N 1 2 351.878 2.139 20 10 FECDLO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756442552 680479023 /nfs/dbraw/zinc/47/90/23/680479023.db2.gz DXYBVKIGWQXPSF-GFCCVEGCSA-N 1 2 370.421 2.441 20 10 FECDLO COc1ccc(O)c([C@@H](C)[NH2+]CC2=Nc3ccccc3S(=O)(=O)N2)c1 ZINC000775372760 681301825 /nfs/dbraw/zinc/30/18/25/681301825.db2.gz IPJQVENRKOLQEK-LLVKDONJSA-N 1 2 361.423 2.074 20 10 FECDLO COc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)ccc1OCC(N)=O ZINC000776083868 681362034 /nfs/dbraw/zinc/36/20/34/681362034.db2.gz BIXMTOOPFSTPIV-UHFFFAOYSA-N 1 2 368.792 2.347 20 10 FECDLO Cn1ccnc1[C@@](O)(C[NH2+]Cc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000790958623 682716003 /nfs/dbraw/zinc/71/60/03/682716003.db2.gz HCDSNNHDEWKFBT-ZDUSSCGKSA-N 1 2 367.730 2.458 20 10 FECDLO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1O ZINC000858434412 682967809 /nfs/dbraw/zinc/96/78/09/682967809.db2.gz GKDWCTWRNGGTQE-PRHODGIISA-N 1 2 358.211 2.412 20 10 FECDLO COc1ccc(N2CCC[N@H+](CN3C[C@H](C(F)F)CC3=O)CC2)cc1 ZINC000795410815 683050242 /nfs/dbraw/zinc/05/02/42/683050242.db2.gz JVHSABLZQDQNER-CQSZACIVSA-N 1 2 353.413 2.278 20 10 FECDLO COc1ccc(N2CCC[N@@H+](CN3C[C@H](C(F)F)CC3=O)CC2)cc1 ZINC000795410815 683050244 /nfs/dbraw/zinc/05/02/44/683050244.db2.gz JVHSABLZQDQNER-CQSZACIVSA-N 1 2 353.413 2.278 20 10 FECDLO COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000924769992 684488480 /nfs/dbraw/zinc/48/84/80/684488480.db2.gz NGNKRSPSIFYQPA-NSHDSACASA-N 1 2 364.471 2.479 20 10 FECDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895250616 689684660 /nfs/dbraw/zinc/68/46/60/689684660.db2.gz ASVIWGPPVGQXHE-NSHDSACASA-N 1 2 359.195 2.320 20 10 FECDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895250616 689684664 /nfs/dbraw/zinc/68/46/64/689684664.db2.gz ASVIWGPPVGQXHE-NSHDSACASA-N 1 2 359.195 2.320 20 10 FECDLO CONC(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000895471071 689722107 /nfs/dbraw/zinc/72/21/07/689722107.db2.gz QADJTULBUZUISV-UHFFFAOYSA-N 1 2 361.211 2.183 20 10 FECDLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000898557334 690208368 /nfs/dbraw/zinc/20/83/68/690208368.db2.gz CCGGRQMNDLGYGD-LBPRGKRZSA-N 1 2 357.248 2.264 20 10 FECDLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000898557334 690208369 /nfs/dbraw/zinc/20/83/69/690208369.db2.gz CCGGRQMNDLGYGD-LBPRGKRZSA-N 1 2 357.248 2.264 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000089968870 542780554 /nfs/dbraw/zinc/78/05/54/542780554.db2.gz TZFJBIJSMGNKTI-UHFFFAOYSA-N 1 2 373.419 2.100 20 10 FECDLO O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103309794 543102797 /nfs/dbraw/zinc/10/27/97/543102797.db2.gz IAZQEUJRMXFEMO-UHFFFAOYSA-N 1 2 369.469 2.266 20 10 FECDLO C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)[N@H+](C)Cc1ccccc1O ZINC000109772668 543338368 /nfs/dbraw/zinc/33/83/68/543338368.db2.gz ZALUGXLHNGSVPE-ZDUSSCGKSA-N 1 2 362.451 2.255 20 10 FECDLO C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)[N@@H+](C)Cc1ccccc1O ZINC000109772668 543338369 /nfs/dbraw/zinc/33/83/69/543338369.db2.gz ZALUGXLHNGSVPE-ZDUSSCGKSA-N 1 2 362.451 2.255 20 10 FECDLO COc1cccc(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1O ZINC000164541330 546151152 /nfs/dbraw/zinc/15/11/52/546151152.db2.gz SBSLTOBIIIXVKH-OAHLLOKOSA-N 1 2 356.426 2.264 20 10 FECDLO C[C@H]([C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCOCC1 ZINC000171632808 546215639 /nfs/dbraw/zinc/21/56/39/546215639.db2.gz CMFZTAIYLVBURJ-DLBZAZTESA-N 1 2 360.502 2.195 20 10 FECDLO COc1cc(N2CC[NH+]([C@@H](C)c3cnccn3)CC2)cc(OC)c1OC ZINC000185449802 547986574 /nfs/dbraw/zinc/98/65/74/547986574.db2.gz KJKFTUJYPWLARD-AWEZNQCLSA-N 1 2 358.442 2.386 20 10 FECDLO Cn1c2ccc(NC(=O)C(=O)NCc3ccccc3O)cc2[nH+]c1C1CC1 ZINC000270506471 550278606 /nfs/dbraw/zinc/27/86/06/550278606.db2.gz ISZYGXBISGAURF-UHFFFAOYSA-N 1 2 364.405 2.411 20 10 FECDLO COc1cc([N+](=O)[O-])c(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1OC ZINC000271023551 550332829 /nfs/dbraw/zinc/33/28/29/550332829.db2.gz JMXJFBOYJIFGIB-NSHDSACASA-N 1 2 366.443 2.225 20 10 FECDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCN1c1nccn2cnnc12 ZINC000271834326 550404935 /nfs/dbraw/zinc/40/49/35/550404935.db2.gz PGKCBYZVFPARMC-LBPRGKRZSA-N 1 2 358.833 2.194 20 10 FECDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCN1c1nccn2cnnc12 ZINC000271834326 550404936 /nfs/dbraw/zinc/40/49/36/550404936.db2.gz PGKCBYZVFPARMC-LBPRGKRZSA-N 1 2 358.833 2.194 20 10 FECDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000274895014 550563285 /nfs/dbraw/zinc/56/32/85/550563285.db2.gz NJCITKQWHHDMOK-UHFFFAOYSA-N 1 2 372.421 2.073 20 10 FECDLO CCOc1ccc(O)c(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c1 ZINC000291096643 552586144 /nfs/dbraw/zinc/58/61/44/552586144.db2.gz QLCXFSNLMMBPRR-UHFFFAOYSA-N 1 2 355.438 2.335 20 10 FECDLO CCOc1ccc(O)c(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)c1 ZINC000291096643 552586145 /nfs/dbraw/zinc/58/61/45/552586145.db2.gz QLCXFSNLMMBPRR-UHFFFAOYSA-N 1 2 355.438 2.335 20 10 FECDLO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)cc1F ZINC000294073868 552879930 /nfs/dbraw/zinc/87/99/30/552879930.db2.gz YPGAMYIZPBZYEL-UHFFFAOYSA-N 1 2 351.447 2.171 20 10 FECDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)cc1F ZINC000294073868 552879932 /nfs/dbraw/zinc/87/99/32/552879932.db2.gz YPGAMYIZPBZYEL-UHFFFAOYSA-N 1 2 351.447 2.171 20 10 FECDLO O=C(NCc1ccccc1O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299527062 553576078 /nfs/dbraw/zinc/57/60/78/553576078.db2.gz RLMSIPAIZZEGPK-SFHVURJKSA-N 1 2 355.438 2.265 20 10 FECDLO CC[N@H+](Cc1nnc2n1CCOC2)Cc1cc(Br)ccc1O ZINC000366685870 555908902 /nfs/dbraw/zinc/90/89/02/555908902.db2.gz UTJCYUKLYOXVAP-UHFFFAOYSA-N 1 2 367.247 2.299 20 10 FECDLO CC[N@@H+](Cc1nnc2n1CCOC2)Cc1cc(Br)ccc1O ZINC000366685870 555908906 /nfs/dbraw/zinc/90/89/06/555908906.db2.gz UTJCYUKLYOXVAP-UHFFFAOYSA-N 1 2 367.247 2.299 20 10 FECDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000368045092 556203551 /nfs/dbraw/zinc/20/35/51/556203551.db2.gz UYCBONMNNSNWJI-JTQLQIEISA-N 1 2 350.843 2.041 20 10 FECDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000368045092 556203549 /nfs/dbraw/zinc/20/35/49/556203549.db2.gz UYCBONMNNSNWJI-JTQLQIEISA-N 1 2 350.843 2.041 20 10 FECDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000372812291 557567012 /nfs/dbraw/zinc/56/70/12/557567012.db2.gz AVPOAINDVWPUEJ-JTQLQIEISA-N 1 2 350.843 2.087 20 10 FECDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000372812291 557567013 /nfs/dbraw/zinc/56/70/13/557567013.db2.gz AVPOAINDVWPUEJ-JTQLQIEISA-N 1 2 350.843 2.087 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)C(=O)Nc3cccnc3)CC2)cc1 ZINC000377010514 558251384 /nfs/dbraw/zinc/25/13/84/558251384.db2.gz ADEJXLURLAJCOR-UHFFFAOYSA-N 1 2 368.437 2.156 20 10 FECDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3O)CCN2C1=O ZINC000378371236 558542291 /nfs/dbraw/zinc/54/22/91/558542291.db2.gz ODXLLSIEPANXBC-GFCCVEGCSA-N 1 2 358.225 2.167 20 10 FECDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3O)CCN2C1=O ZINC000378371236 558542293 /nfs/dbraw/zinc/54/22/93/558542293.db2.gz ODXLLSIEPANXBC-GFCCVEGCSA-N 1 2 358.225 2.167 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000471811615 561012331 /nfs/dbraw/zinc/01/23/31/561012331.db2.gz OOHPNKCSHILKKY-UHFFFAOYSA-N 1 2 358.486 2.397 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000471811615 561012332 /nfs/dbraw/zinc/01/23/32/561012332.db2.gz OOHPNKCSHILKKY-UHFFFAOYSA-N 1 2 358.486 2.397 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000472284209 561023106 /nfs/dbraw/zinc/02/31/06/561023106.db2.gz XWQFWEXAHQQWOD-QGZVFWFLSA-N 1 2 370.497 2.493 20 10 FECDLO CN(C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)S(C)(=O)=O ZINC000809689099 674505169 /nfs/dbraw/zinc/50/51/69/674505169.db2.gz TYDLAXCIXREHJH-NSHDSACASA-N 1 2 364.870 2.288 20 10 FECDLO CN(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)S(C)(=O)=O ZINC000809689099 674505172 /nfs/dbraw/zinc/50/51/72/674505172.db2.gz TYDLAXCIXREHJH-NSHDSACASA-N 1 2 364.870 2.288 20 10 FECDLO CN(C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)S(C)(=O)=O ZINC000809688987 674505309 /nfs/dbraw/zinc/50/53/09/674505309.db2.gz SRPOBJNOJZEFAQ-LLVKDONJSA-N 1 2 364.870 2.288 20 10 FECDLO CN(C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)S(C)(=O)=O ZINC000809688987 674505310 /nfs/dbraw/zinc/50/53/10/674505310.db2.gz SRPOBJNOJZEFAQ-LLVKDONJSA-N 1 2 364.870 2.288 20 10 FECDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816487047 675059129 /nfs/dbraw/zinc/05/91/29/675059129.db2.gz BSKQOYCQDLUTSG-LLVKDONJSA-N 1 2 350.843 2.088 20 10 FECDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816487047 675059131 /nfs/dbraw/zinc/05/91/31/675059131.db2.gz BSKQOYCQDLUTSG-LLVKDONJSA-N 1 2 350.843 2.088 20 10 FECDLO CCS(=O)(=O)N1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000164237523 672312373 /nfs/dbraw/zinc/31/23/73/672312373.db2.gz PPZGGCPAECEERO-UHFFFAOYSA-N 1 2 370.515 2.166 20 10 FECDLO COc1cc(CN2CC[NH+](CC[S@](C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824856421 675625424 /nfs/dbraw/zinc/62/54/24/675625424.db2.gz WVGDXOPRSYDGHC-VWLOTQADSA-N 1 2 368.543 2.194 20 10 FECDLO COc1cc(C[NH+]2CCN(CC[S@](C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824856421 675625425 /nfs/dbraw/zinc/62/54/25/675625425.db2.gz WVGDXOPRSYDGHC-VWLOTQADSA-N 1 2 368.543 2.194 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c1O ZINC000824925864 675629265 /nfs/dbraw/zinc/62/92/65/675629265.db2.gz GRFZTUIMXXJXAF-BETUJISGSA-N 1 2 357.292 2.350 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c1O ZINC000824925864 675629266 /nfs/dbraw/zinc/62/92/66/675629266.db2.gz GRFZTUIMXXJXAF-BETUJISGSA-N 1 2 357.292 2.350 20 10 FECDLO Oc1cc(Br)ccc1C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000826535446 675690645 /nfs/dbraw/zinc/69/06/45/675690645.db2.gz XCAIQZQFERCMDG-GFCCVEGCSA-N 1 2 353.220 2.414 20 10 FECDLO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(Br)c(F)cc1O ZINC000834901956 680281397 /nfs/dbraw/zinc/28/13/97/680281397.db2.gz CEGGDNXVXKBFCR-JTQLQIEISA-N 1 2 361.255 2.401 20 10 FECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754742122 680374222 /nfs/dbraw/zinc/37/42/22/680374222.db2.gz QEFUGEFKEKGDBM-INIZCTEOSA-N 1 2 351.443 2.462 20 10 FECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754742122 680374228 /nfs/dbraw/zinc/37/42/28/680374228.db2.gz QEFUGEFKEKGDBM-INIZCTEOSA-N 1 2 351.443 2.462 20 10 FECDLO CCOC(=O)c1cnc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)s1 ZINC000779022802 681672816 /nfs/dbraw/zinc/67/28/16/681672816.db2.gz HCGONMGWMVHVDG-UHFFFAOYSA-N 1 2 365.430 2.487 20 10 FECDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1C[C@@H](O)C12CCOCC2 ZINC000923021324 683821129 /nfs/dbraw/zinc/82/11/29/683821129.db2.gz XIJBWYITKBMVTE-QWHCGFSZSA-N 1 2 360.223 2.313 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC000877791914 686462935 /nfs/dbraw/zinc/46/29/35/686462935.db2.gz KXJQRLQMPLPDLD-JQWIXIFHSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC000877791914 686462941 /nfs/dbraw/zinc/46/29/41/686462941.db2.gz KXJQRLQMPLPDLD-JQWIXIFHSA-N 1 2 360.273 2.021 20 10 FECDLO COC1CCN(c2ccc(C[NH+]3CCN([S@@](C)(=N)=O)CC3)cc2)CC1 ZINC000879947580 686956982 /nfs/dbraw/zinc/95/69/82/686956982.db2.gz UTXRZJLHRQUDRI-RUZDIDTESA-N 1 2 366.531 2.011 20 10 FECDLO Cn1cc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2O)cn1 ZINC000883018759 687547583 /nfs/dbraw/zinc/54/75/83/687547583.db2.gz OGVBGOIYKKXGOI-LBPRGKRZSA-N 1 2 360.639 2.365 20 10 FECDLO O=C1NCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000092675425 542880661 /nfs/dbraw/zinc/88/06/61/542880661.db2.gz RTSLDBGFKMXZSV-FQEVSTJZSA-N 1 2 351.450 2.196 20 10 FECDLO O=C1NCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000092675425 542880663 /nfs/dbraw/zinc/88/06/63/542880663.db2.gz RTSLDBGFKMXZSV-FQEVSTJZSA-N 1 2 351.450 2.196 20 10 FECDLO Cc1cc(C(=O)CN2CC[NH+](CCO)CC2)c(C)n1-c1ccc(F)cc1 ZINC000102680536 543077087 /nfs/dbraw/zinc/07/70/87/543077087.db2.gz BZEKICNSJAGUEW-UHFFFAOYSA-N 1 2 359.445 2.026 20 10 FECDLO C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)[N@H+](C)Cc1ccccc1O ZINC000109772672 543338324 /nfs/dbraw/zinc/33/83/24/543338324.db2.gz ZALUGXLHNGSVPE-CYBMUJFWSA-N 1 2 362.451 2.255 20 10 FECDLO C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)[N@@H+](C)Cc1ccccc1O ZINC000109772672 543338327 /nfs/dbraw/zinc/33/83/27/543338327.db2.gz ZALUGXLHNGSVPE-CYBMUJFWSA-N 1 2 362.451 2.255 20 10 FECDLO CN(C)C(=O)C[N@@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000129385836 544109628 /nfs/dbraw/zinc/10/96/28/544109628.db2.gz TXEZIRKBYMGIJD-UHFFFAOYSA-N 1 2 360.285 2.295 20 10 FECDLO CN(C)C(=O)C[N@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000129385836 544109632 /nfs/dbraw/zinc/10/96/32/544109632.db2.gz TXEZIRKBYMGIJD-UHFFFAOYSA-N 1 2 360.285 2.295 20 10 FECDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180286784 547079781 /nfs/dbraw/zinc/07/97/81/547079781.db2.gz XFUCXSUKCBBTFS-ZDUSSCGKSA-N 1 2 358.232 2.227 20 10 FECDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180286784 547079784 /nfs/dbraw/zinc/07/97/84/547079784.db2.gz XFUCXSUKCBBTFS-ZDUSSCGKSA-N 1 2 358.232 2.227 20 10 FECDLO Cc1nc(N2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)cc[nH+]1 ZINC000184967766 547909168 /nfs/dbraw/zinc/90/91/68/547909168.db2.gz TZKIDMXJIJMSSN-UHFFFAOYSA-N 1 2 372.448 2.022 20 10 FECDLO COc1cccc(C[N@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000272987639 550479547 /nfs/dbraw/zinc/47/95/47/550479547.db2.gz YWVKANFUUKVRER-ZDUSSCGKSA-N 1 2 366.458 2.069 20 10 FECDLO COc1cccc(C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000272987639 550479549 /nfs/dbraw/zinc/47/95/49/550479549.db2.gz YWVKANFUUKVRER-ZDUSSCGKSA-N 1 2 366.458 2.069 20 10 FECDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286466160 551888920 /nfs/dbraw/zinc/88/89/20/551888920.db2.gz BHEFCTAKWKOJRW-PXNSSMCTSA-N 1 2 372.513 2.291 20 10 FECDLO COCC[N@H+](Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000290356520 552466377 /nfs/dbraw/zinc/46/63/77/552466377.db2.gz GMUNCTQAPDVKSD-LBPRGKRZSA-N 1 2 368.282 2.335 20 10 FECDLO COCC[N@@H+](Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000290356520 552466378 /nfs/dbraw/zinc/46/63/78/552466378.db2.gz GMUNCTQAPDVKSD-LBPRGKRZSA-N 1 2 368.282 2.335 20 10 FECDLO CCn1cc[nH+]c1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298113266 553385943 /nfs/dbraw/zinc/38/59/43/553385943.db2.gz MZUWDPKXEARYDO-MRXNPFEDSA-N 1 2 358.442 2.499 20 10 FECDLO CCOC(=O)[C@H](CCOC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000366956814 555981874 /nfs/dbraw/zinc/98/18/74/555981874.db2.gz WSPFZDQTOXBXEW-SFHVURJKSA-N 1 2 350.459 2.222 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)N(C)CC3CC3)CC2)cc1 ZINC000368358035 556286841 /nfs/dbraw/zinc/28/68/41/556286841.db2.gz QAWWNXCIBPMWDU-UHFFFAOYSA-N 1 2 367.515 2.182 20 10 FECDLO Cc1cn2c([nH+]1)CN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)CC2 ZINC000374675906 557915595 /nfs/dbraw/zinc/91/55/95/557915595.db2.gz GARHILFYBFSDDH-QPJJXVBHSA-N 1 2 352.438 2.084 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000472223565 561021412 /nfs/dbraw/zinc/02/14/12/561021412.db2.gz UADSJDRSIRZMSY-HNNXBMFYSA-N 1 2 358.486 2.349 20 10 FECDLO O=C(NCCCSc1nccs1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000154637702 672219695 /nfs/dbraw/zinc/21/96/95/672219695.db2.gz YYQUKFVLEZBSCZ-CQSZACIVSA-N 1 2 370.544 2.132 20 10 FECDLO OCC1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOCC1 ZINC000708111299 673064146 /nfs/dbraw/zinc/06/41/46/673064146.db2.gz PJRPYIGIOAGMTQ-UHFFFAOYSA-N 1 2 350.640 2.439 20 10 FECDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000822534752 675490753 /nfs/dbraw/zinc/49/07/53/675490753.db2.gz VZDFCCSGYNMGJO-UHFFFAOYSA-N 1 2 350.371 2.209 20 10 FECDLO Oc1cc(Br)ccc1C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000826535447 675690581 /nfs/dbraw/zinc/69/05/81/675690581.db2.gz XCAIQZQFERCMDG-LBPRGKRZSA-N 1 2 353.220 2.414 20 10 FECDLO Cc1cc(CN2CC[NH+](CC[S@](C)=O)CC2)ccc1N1CCCCC1 ZINC000828338390 675813957 /nfs/dbraw/zinc/81/39/57/675813957.db2.gz MFVWUNZYAMPSMM-VWLOTQADSA-N 1 2 363.571 2.481 20 10 FECDLO CN(C)c1[nH+]cc(/C=C2/c3cc(Br)cnc3N(C)C2=O)n1C ZINC000840718316 680839465 /nfs/dbraw/zinc/83/94/65/680839465.db2.gz CWONOSFHMSQJIR-SDQBBNPISA-N 1 2 362.231 2.161 20 10 FECDLO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cccc(Cl)c1O ZINC000840895918 680850714 /nfs/dbraw/zinc/85/07/14/680850714.db2.gz AMWBPMMGYGJUHN-CYBMUJFWSA-N 1 2 351.838 2.257 20 10 FECDLO C[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(N(C)C)cc1 ZINC000775834657 681340130 /nfs/dbraw/zinc/34/01/30/681340130.db2.gz BTDFFURBLQSDHE-ZDUSSCGKSA-N 1 2 358.467 2.425 20 10 FECDLO COc1cc(C)cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O ZINC000853530523 682428490 /nfs/dbraw/zinc/42/84/90/682428490.db2.gz NDZXUSGBUBJNPP-AAEUAGOBSA-N 1 2 367.389 2.117 20 10 FECDLO COc1cc(C)cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O ZINC000853530523 682428494 /nfs/dbraw/zinc/42/84/94/682428494.db2.gz NDZXUSGBUBJNPP-AAEUAGOBSA-N 1 2 367.389 2.117 20 10 FECDLO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)cc(F)c1O ZINC000927137525 683211570 /nfs/dbraw/zinc/21/15/70/683211570.db2.gz XFPYNXVNVPBBRG-ISVAXAHUSA-N 1 2 358.211 2.412 20 10 FECDLO Cn1cc(CN2CC[NH+](Cc3c(O)cccc3Br)CC2)cn1 ZINC000862239048 683556749 /nfs/dbraw/zinc/55/67/49/683556749.db2.gz STGPMHYVIDBGBT-UHFFFAOYSA-N 1 2 365.275 2.206 20 10 FECDLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000877648406 686429256 /nfs/dbraw/zinc/42/92/56/686429256.db2.gz XPLMCVFPVYQEKL-KRWDZBQOSA-N 1 2 353.369 2.185 20 10 FECDLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000877648406 686429262 /nfs/dbraw/zinc/42/92/62/686429262.db2.gz XPLMCVFPVYQEKL-KRWDZBQOSA-N 1 2 353.369 2.185 20 10 FECDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1COCO1 ZINC000894876383 689612739 /nfs/dbraw/zinc/61/27/39/689612739.db2.gz QGABPBRORYZGEF-SECBINFHSA-N 1 2 367.037 2.380 20 10 FECDLO CC[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(Cl)c1O ZINC000903225025 690869025 /nfs/dbraw/zinc/86/90/25/690869025.db2.gz DKLZBJGABBQOHI-GFCCVEGCSA-N 1 2 368.908 2.144 20 10 FECDLO C/C(=C\C(=O)NCc1cccc(Br)c1O)C[NH+]1CCOCC1 ZINC000907758761 691554821 /nfs/dbraw/zinc/55/48/21/691554821.db2.gz UEZHIVAEYADVBB-FMIVXFBMSA-N 1 2 369.259 2.049 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(OC)nn3)CC2)cc1 ZINC000078102185 542441674 /nfs/dbraw/zinc/44/16/74/542441674.db2.gz VCSPMJOXCNGTCC-UHFFFAOYSA-N 1 2 356.426 2.235 20 10 FECDLO COc1ccc(N2CC[NH+](CC(=O)N(C)Cc3ccco3)CC2)cc1F ZINC000084866221 542722178 /nfs/dbraw/zinc/72/21/78/542722178.db2.gz XHKPNYPDXDUNCW-UHFFFAOYSA-N 1 2 361.417 2.208 20 10 FECDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1 ZINC000237379085 548822214 /nfs/dbraw/zinc/82/22/14/548822214.db2.gz DYIAYEQUFKUDLR-UHFFFAOYSA-N 1 2 369.465 2.173 20 10 FECDLO COc1ccc(O)c(C[N@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000272741002 550467874 /nfs/dbraw/zinc/46/78/74/550467874.db2.gz AZYPFSUDIUBCSV-ZDUSSCGKSA-N 1 2 366.458 2.069 20 10 FECDLO COc1ccc(O)c(C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000272741002 550467876 /nfs/dbraw/zinc/46/78/76/550467876.db2.gz AZYPFSUDIUBCSV-ZDUSSCGKSA-N 1 2 366.458 2.069 20 10 FECDLO C[C@H]([NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(F)c(F)c1O ZINC000278975756 550842392 /nfs/dbraw/zinc/84/23/92/550842392.db2.gz OCOPIHQENDCCSR-RYUDHWBXSA-N 1 2 364.396 2.084 20 10 FECDLO COc1ccc(N2CCN(C(=O)C3CC[NH+](CC(F)F)CC3)CC2)cc1 ZINC000287243589 551980380 /nfs/dbraw/zinc/98/03/80/551980380.db2.gz JIXINOWNAQEZBD-UHFFFAOYSA-N 1 2 367.440 2.321 20 10 FECDLO CS(=O)(=O)CC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000292220456 552705674 /nfs/dbraw/zinc/70/56/74/552705674.db2.gz ADFBXDQNZUWJRP-UHFFFAOYSA-N 1 2 362.289 2.411 20 10 FECDLO CCc1nc(C)c(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000293349204 552814263 /nfs/dbraw/zinc/81/42/63/552814263.db2.gz NOTLPHXBMQTWSJ-UHFFFAOYSA-N 1 2 372.469 2.106 20 10 FECDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294753281 552931870 /nfs/dbraw/zinc/93/18/70/552931870.db2.gz IIEJFWXTALULOT-AEFFLSMTSA-N 1 2 360.479 2.493 20 10 FECDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294753281 552931872 /nfs/dbraw/zinc/93/18/72/552931872.db2.gz IIEJFWXTALULOT-AEFFLSMTSA-N 1 2 360.479 2.493 20 10 FECDLO O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299310954 553546010 /nfs/dbraw/zinc/54/60/10/553546010.db2.gz OUTOBZSKCWOVBF-UHFFFAOYSA-N 1 2 364.405 2.174 20 10 FECDLO O=C(c1cccc2c1C(=O)c1ccccc1C2=O)N1CCn2c[nH+]cc2C1 ZINC000365705932 555645870 /nfs/dbraw/zinc/64/58/70/555645870.db2.gz WGHMWMZVUHFETB-UHFFFAOYSA-N 1 2 357.369 2.315 20 10 FECDLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)n1-c1ccccn1 ZINC000370806675 556973556 /nfs/dbraw/zinc/97/35/56/556973556.db2.gz VYFUSOICGFAGHO-QGZVFWFLSA-N 1 2 354.454 2.036 20 10 FECDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000378314625 558527366 /nfs/dbraw/zinc/52/73/66/558527366.db2.gz OJCBRGCZEIESCH-GFCCVEGCSA-N 1 2 371.396 2.472 20 10 FECDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000378314625 558527368 /nfs/dbraw/zinc/52/73/68/558527368.db2.gz OJCBRGCZEIESCH-GFCCVEGCSA-N 1 2 371.396 2.472 20 10 FECDLO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809710062 674506457 /nfs/dbraw/zinc/50/64/57/674506457.db2.gz MIDFSVRBOKQMGW-GFCCVEGCSA-N 1 2 350.843 2.088 20 10 FECDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Cl)CC1)N1CCCCC1 ZINC000121853869 671959030 /nfs/dbraw/zinc/95/90/30/671959030.db2.gz GWMQTDYJKROZBU-UHFFFAOYSA-N 1 2 351.878 2.176 20 10 FECDLO COc1ccc(N(Cc2cccs2)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000157305026 672257217 /nfs/dbraw/zinc/25/72/17/672257217.db2.gz XKPNQPYLDWDOSS-QGZVFWFLSA-N 1 2 362.495 2.456 20 10 FECDLO O=C(COC(=O)C1=CC(=O)CS1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000732352706 673364928 /nfs/dbraw/zinc/36/49/28/673364928.db2.gz CNRGYGCFIFCCEB-UHFFFAOYSA-N 1 2 366.464 2.016 20 10 FECDLO Brc1c[nH]nc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000738430766 673620930 /nfs/dbraw/zinc/62/09/30/673620930.db2.gz KQQNKHLHKHAJGA-UHFFFAOYSA-N 1 2 351.248 2.299 20 10 FECDLO Fc1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1N1CCOCC1 ZINC000770305773 681012497 /nfs/dbraw/zinc/01/24/97/681012497.db2.gz ULEDDOJTBDIKJD-MOPGFXCFSA-N 1 2 350.434 2.042 20 10 FECDLO Fc1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1N1CCOCC1 ZINC000770305773 681012498 /nfs/dbraw/zinc/01/24/98/681012498.db2.gz ULEDDOJTBDIKJD-MOPGFXCFSA-N 1 2 350.434 2.042 20 10 FECDLO COc1c(O)c(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000774904975 681248564 /nfs/dbraw/zinc/24/85/64/681248564.db2.gz YLIDSOLZXLNIBP-CQSZACIVSA-N 1 2 364.320 2.444 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3cscn3)CC2)cc1 ZINC000852420114 682275291 /nfs/dbraw/zinc/27/52/91/682275291.db2.gz OLQXRXDAQCALOI-CQSZACIVSA-N 1 2 360.483 2.151 20 10 FECDLO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)cc(F)c1O ZINC000786948395 682423402 /nfs/dbraw/zinc/42/34/02/682423402.db2.gz GAXXNJYLFYVUMV-QMMMGPOBSA-N 1 2 366.252 2.379 20 10 FECDLO COc1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(O)cc1C ZINC000853530306 682428505 /nfs/dbraw/zinc/42/85/05/682428505.db2.gz HBRLVHCFUIRWLZ-FZMZJTMJSA-N 1 2 367.389 2.117 20 10 FECDLO COc1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(O)cc1C ZINC000853530306 682428510 /nfs/dbraw/zinc/42/85/10/682428510.db2.gz HBRLVHCFUIRWLZ-FZMZJTMJSA-N 1 2 367.389 2.117 20 10 FECDLO O=c1[nH]c(C[NH2+]Cc2cc(Br)ccc2O)nc2c1COCC2 ZINC000865867886 684038681 /nfs/dbraw/zinc/03/86/81/684038681.db2.gz UDFQUISYPFRKFN-UHFFFAOYSA-N 1 2 366.215 2.013 20 10 FECDLO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000866578060 684121991 /nfs/dbraw/zinc/12/19/91/684121991.db2.gz IJGLSOJDUNLGGP-LLVKDONJSA-N 1 2 370.421 2.472 20 10 FECDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000875377418 685798315 /nfs/dbraw/zinc/79/83/15/685798315.db2.gz ZJXVOKUJSRKILT-ZDUSSCGKSA-N 1 2 358.533 2.035 20 10 FECDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000875377418 685798319 /nfs/dbraw/zinc/79/83/19/685798319.db2.gz ZJXVOKUJSRKILT-ZDUSSCGKSA-N 1 2 358.533 2.035 20 10 FECDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877480724 686387206 /nfs/dbraw/zinc/38/72/06/686387206.db2.gz FUJNFPAQNBBQFM-UHFFFAOYSA-N 1 2 366.527 2.047 20 10 FECDLO O=S1(=O)C[C@H]2C[N@H+](Cc3cc(Br)ccc3O)CC[C@@H]2C1 ZINC000877791916 686463036 /nfs/dbraw/zinc/46/30/36/686463036.db2.gz KXJQRLQMPLPDLD-ZYHUDNBSSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@@H]2C1 ZINC000877791916 686463043 /nfs/dbraw/zinc/46/30/43/686463043.db2.gz KXJQRLQMPLPDLD-ZYHUDNBSSA-N 1 2 360.273 2.021 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877793010 686463495 /nfs/dbraw/zinc/46/34/95/686463495.db2.gz LSVHQCLAHSJKFO-AAEUAGOBSA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877793010 686463500 /nfs/dbraw/zinc/46/35/00/686463500.db2.gz LSVHQCLAHSJKFO-AAEUAGOBSA-N 1 2 374.300 2.330 20 10 FECDLO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCC1 ZINC000883107797 687566928 /nfs/dbraw/zinc/56/69/28/687566928.db2.gz JYOJWTFYRQCRKC-UHFFFAOYSA-N 1 2 366.252 2.351 20 10 FECDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(=O)NCCF ZINC000883112570 687568206 /nfs/dbraw/zinc/56/82/06/687568206.db2.gz QQSGYTHTTGCYOR-SSDOTTSWSA-N 1 2 353.619 2.372 20 10 FECDLO OCCN1CCCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883132176 687573310 /nfs/dbraw/zinc/57/33/10/687573310.db2.gz IFKOHLPEKLRXFT-CYBMUJFWSA-N 1 2 361.255 2.230 20 10 FECDLO COc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c(O)c1OC ZINC000892098680 689149422 /nfs/dbraw/zinc/14/94/22/689149422.db2.gz LOYQBRCZZRTFQJ-UHFFFAOYSA-N 1 2 365.451 2.445 20 10 FECDLO COc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c(O)c1OC ZINC000892098680 689149425 /nfs/dbraw/zinc/14/94/25/689149425.db2.gz LOYQBRCZZRTFQJ-UHFFFAOYSA-N 1 2 365.451 2.445 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)c3ccccn3)CC2)cc1 ZINC000127952469 544023653 /nfs/dbraw/zinc/02/36/53/544023653.db2.gz MFJFOBHGAVTPMW-KRWDZBQOSA-N 1 2 368.481 2.432 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccccn3)CC2)cc1 ZINC000127952469 544023656 /nfs/dbraw/zinc/02/36/56/544023656.db2.gz MFJFOBHGAVTPMW-KRWDZBQOSA-N 1 2 368.481 2.432 20 10 FECDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1=N ZINC000128233557 544040268 /nfs/dbraw/zinc/04/02/68/544040268.db2.gz HZEWZHHHTATCFS-UHFFFAOYSA-N 1 2 371.485 2.375 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1OC ZINC000179438671 546954540 /nfs/dbraw/zinc/95/45/40/546954540.db2.gz ZPINUNBHVRBBHS-UHFFFAOYSA-N 1 2 370.449 2.296 20 10 FECDLO Cn1cc(C(=O)NCC2CC[NH+](Cc3cccc(Cl)c3O)CC2)cn1 ZINC000179951115 547032406 /nfs/dbraw/zinc/03/24/06/547032406.db2.gz BHNSNSMWLIBXDP-UHFFFAOYSA-N 1 2 362.861 2.421 20 10 FECDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000183078602 547598027 /nfs/dbraw/zinc/59/80/27/547598027.db2.gz AJLGLGSMUNFRPC-FQEVSTJZSA-N 1 2 370.449 2.308 20 10 FECDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000183078602 547598031 /nfs/dbraw/zinc/59/80/31/547598031.db2.gz AJLGLGSMUNFRPC-FQEVSTJZSA-N 1 2 370.449 2.308 20 10 FECDLO COc1cc(C[NH+]2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc(OC)c1 ZINC000237302184 548815869 /nfs/dbraw/zinc/81/58/69/548815869.db2.gz KYGJJCAVAILQDB-UHFFFAOYSA-N 1 2 369.465 2.173 20 10 FECDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000529666035 562380379 /nfs/dbraw/zinc/38/03/79/562380379.db2.gz IZCVXGBZMNCDLW-ZDUSSCGKSA-N 1 2 360.248 2.401 20 10 FECDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000264443536 549995810 /nfs/dbraw/zinc/99/58/10/549995810.db2.gz OMYZTLACPAEXHM-INIZCTEOSA-N 1 2 354.498 2.460 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1OC ZINC000271701419 550396282 /nfs/dbraw/zinc/39/62/82/550396282.db2.gz CSXREPMLIWDLHM-UHFFFAOYSA-N 1 2 372.421 2.073 20 10 FECDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273414885 550497522 /nfs/dbraw/zinc/49/75/22/550497522.db2.gz QQDHDOBMPILXGA-GFCCVEGCSA-N 1 2 350.396 2.425 20 10 FECDLO COCCN(C)c1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)c[nH+]1 ZINC000276731611 550589916 /nfs/dbraw/zinc/58/99/16/550589916.db2.gz HEKBZAINEJTTPT-UHFFFAOYSA-N 1 2 373.453 2.352 20 10 FECDLO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1O ZINC000276932143 550612595 /nfs/dbraw/zinc/61/25/95/550612595.db2.gz OMPSEYRCTLKNTJ-IINYFYTJSA-N 1 2 350.369 2.250 20 10 FECDLO CCc1nocc1C[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000293511124 552831123 /nfs/dbraw/zinc/83/11/23/552831123.db2.gz VFRIGIWPKXAATE-UHFFFAOYSA-N 1 2 372.469 2.026 20 10 FECDLO CCc1nocc1C[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000293511124 552831125 /nfs/dbraw/zinc/83/11/25/552831125.db2.gz VFRIGIWPKXAATE-UHFFFAOYSA-N 1 2 372.469 2.026 20 10 FECDLO CC[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000296371816 553149400 /nfs/dbraw/zinc/14/94/00/553149400.db2.gz JFVFSOIYJZZANB-TZMCWYRMSA-N 1 2 368.282 2.289 20 10 FECDLO Cn1ncc2c1nc(NCc1ccc(N3CCSCC3)cc1)[nH+]c2N ZINC000302514191 553719768 /nfs/dbraw/zinc/71/97/68/553719768.db2.gz ABOGCKGIOSQYTE-UHFFFAOYSA-N 1 2 355.471 2.111 20 10 FECDLO O=C(CSc1nccs1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363215068 555055516 /nfs/dbraw/zinc/05/55/16/555055516.db2.gz LJTQQCDDHHDLBA-OAHLLOKOSA-N 1 2 363.508 2.252 20 10 FECDLO O=C(CSc1nccs1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363215068 555055518 /nfs/dbraw/zinc/05/55/18/555055518.db2.gz LJTQQCDDHHDLBA-OAHLLOKOSA-N 1 2 363.508 2.252 20 10 FECDLO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366459310 555850412 /nfs/dbraw/zinc/85/04/12/555850412.db2.gz XCRBZHFSHNNUGF-CYBMUJFWSA-N 1 2 374.268 2.361 20 10 FECDLO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366459310 555850413 /nfs/dbraw/zinc/85/04/13/555850413.db2.gz XCRBZHFSHNNUGF-CYBMUJFWSA-N 1 2 374.268 2.361 20 10 FECDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000367162424 556002493 /nfs/dbraw/zinc/00/24/93/556002493.db2.gz BCVQWOARTNRUEN-SFHVURJKSA-N 1 2 368.481 2.355 20 10 FECDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000367162424 556002495 /nfs/dbraw/zinc/00/24/95/556002495.db2.gz BCVQWOARTNRUEN-SFHVURJKSA-N 1 2 368.481 2.355 20 10 FECDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCOC2)O1 ZINC000376020568 558114964 /nfs/dbraw/zinc/11/49/64/558114964.db2.gz GREXCEVUSODMMG-GUYCJALGSA-N 1 2 352.387 2.079 20 10 FECDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCOC2)O1 ZINC000376020568 558114966 /nfs/dbraw/zinc/11/49/66/558114966.db2.gz GREXCEVUSODMMG-GUYCJALGSA-N 1 2 352.387 2.079 20 10 FECDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCCOC2)O1 ZINC000376029302 558116035 /nfs/dbraw/zinc/11/60/35/558116035.db2.gz NRNNTNUGBMVLKQ-KDOFPFPSSA-N 1 2 366.414 2.469 20 10 FECDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCCOC2)O1 ZINC000376029302 558116038 /nfs/dbraw/zinc/11/60/38/558116038.db2.gz NRNNTNUGBMVLKQ-KDOFPFPSSA-N 1 2 366.414 2.469 20 10 FECDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377988356 558458632 /nfs/dbraw/zinc/45/86/32/558458632.db2.gz PENQVSJDBUWRIE-LBPRGKRZSA-N 1 2 360.801 2.090 20 10 FECDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377988356 558458634 /nfs/dbraw/zinc/45/86/34/558458634.db2.gz PENQVSJDBUWRIE-LBPRGKRZSA-N 1 2 360.801 2.090 20 10 FECDLO CCOC[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000529666035 562380378 /nfs/dbraw/zinc/38/03/78/562380378.db2.gz IZCVXGBZMNCDLW-ZDUSSCGKSA-N 1 2 360.248 2.401 20 10 FECDLO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Br)cc(F)c1O ZINC000810244314 674537840 /nfs/dbraw/zinc/53/78/40/674537840.db2.gz QEOHUNDOKVYDLQ-VIFPVBQESA-N 1 2 373.226 2.119 20 10 FECDLO CC[N@H+](Cc1cccc(Br)c1O)[C@@H](C)CS(C)(=O)=O ZINC000093390905 670752325 /nfs/dbraw/zinc/75/23/25/670752325.db2.gz OHFDXBHCPPBFFZ-JTQLQIEISA-N 1 2 350.278 2.410 20 10 FECDLO CC[N@@H+](Cc1cccc(Br)c1O)[C@@H](C)CS(C)(=O)=O ZINC000093390905 670752328 /nfs/dbraw/zinc/75/23/28/670752328.db2.gz OHFDXBHCPPBFFZ-JTQLQIEISA-N 1 2 350.278 2.410 20 10 FECDLO COC(=O)C[N@H+](CCCN1CCCC1=O)Cc1cc(Cl)ccc1O ZINC000731845407 673344790 /nfs/dbraw/zinc/34/47/90/673344790.db2.gz WZACMHRYRUZABU-UHFFFAOYSA-N 1 2 354.834 2.033 20 10 FECDLO COC(=O)C[N@@H+](CCCN1CCCC1=O)Cc1cc(Cl)ccc1O ZINC000731845407 673344791 /nfs/dbraw/zinc/34/47/91/673344791.db2.gz WZACMHRYRUZABU-UHFFFAOYSA-N 1 2 354.834 2.033 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)CSC(C)C)CC2)cc1 ZINC000742920861 673742106 /nfs/dbraw/zinc/74/21/06/673742106.db2.gz VOTNSBADBDZBKI-UHFFFAOYSA-N 1 2 351.516 2.075 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(F)s3)CC2)cc1 ZINC000824285701 675593331 /nfs/dbraw/zinc/59/33/31/675593331.db2.gz TZCQNGHTTMAYLO-UHFFFAOYSA-N 1 2 363.458 2.448 20 10 FECDLO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000826894371 675714124 /nfs/dbraw/zinc/71/41/24/675714124.db2.gz NBVJDEMGQBGXBQ-GJZGRUSLSA-N 1 2 364.433 2.468 20 10 FECDLO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000826894371 675714126 /nfs/dbraw/zinc/71/41/26/675714126.db2.gz NBVJDEMGQBGXBQ-GJZGRUSLSA-N 1 2 364.433 2.468 20 10 FECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC12COC2 ZINC000830268831 677032913 /nfs/dbraw/zinc/03/29/13/677032913.db2.gz BPKVZQZMIIVRFU-HNNXBMFYSA-N 1 2 367.829 2.260 20 10 FECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC12COC2 ZINC000830268831 677032915 /nfs/dbraw/zinc/03/29/15/677032915.db2.gz BPKVZQZMIIVRFU-HNNXBMFYSA-N 1 2 367.829 2.260 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000750036564 680097335 /nfs/dbraw/zinc/09/73/35/680097335.db2.gz RDMWFIDPNCILQP-CQSZACIVSA-N 1 2 374.890 2.152 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000750036564 680097339 /nfs/dbraw/zinc/09/73/39/680097339.db2.gz RDMWFIDPNCILQP-CQSZACIVSA-N 1 2 374.890 2.152 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Br)cc(F)c1O ZINC000756568131 680486182 /nfs/dbraw/zinc/48/61/82/680486182.db2.gz BTBMGENAGWPAHB-CMPLNLGQSA-N 1 2 360.271 2.190 20 10 FECDLO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776251231 681376579 /nfs/dbraw/zinc/37/65/79/681376579.db2.gz RNAWAIQVWAYITN-LURJTMIESA-N 1 2 366.053 2.271 20 10 FECDLO COC(=O)C(C)(C)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000779190841 681687174 /nfs/dbraw/zinc/68/71/74/681687174.db2.gz MNGQVEUSKBNLGE-UHFFFAOYSA-N 1 2 371.275 2.224 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000781909278 681987984 /nfs/dbraw/zinc/98/79/84/681987984.db2.gz IQQBOEIISRMCGN-GFCCVEGCSA-N 1 2 355.232 2.490 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000781909278 681987989 /nfs/dbraw/zinc/98/79/89/681987989.db2.gz IQQBOEIISRMCGN-GFCCVEGCSA-N 1 2 355.232 2.490 20 10 FECDLO Oc1cc(Br)ccc1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000877676774 686435108 /nfs/dbraw/zinc/43/51/08/686435108.db2.gz FUQZGKWSXDCELB-UHFFFAOYSA-N 1 2 367.247 2.457 20 10 FECDLO NS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000877761967 686450068 /nfs/dbraw/zinc/45/00/68/686450068.db2.gz VQDLSQZATBACMC-UHFFFAOYSA-N 1 2 352.843 2.251 20 10 FECDLO NS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000877761967 686450072 /nfs/dbraw/zinc/45/00/72/686450072.db2.gz VQDLSQZATBACMC-UHFFFAOYSA-N 1 2 352.843 2.251 20 10 FECDLO O=C(NCC1C[NH+](Cc2cc(Br)ccc2O)C1)C(F)(F)F ZINC000877777068 686454750 /nfs/dbraw/zinc/45/47/50/686454750.db2.gz NEEKBBSQRAWAHY-UHFFFAOYSA-N 1 2 367.165 2.265 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000877820012 686471057 /nfs/dbraw/zinc/47/10/57/686471057.db2.gz LLVYCPKZQFOKBK-LLVKDONJSA-N 1 2 350.293 2.462 20 10 FECDLO COc1c(O)c(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000877820012 686471062 /nfs/dbraw/zinc/47/10/62/686471062.db2.gz LLVYCPKZQFOKBK-LLVKDONJSA-N 1 2 350.293 2.462 20 10 FECDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894544615 689551302 /nfs/dbraw/zinc/55/13/02/689551302.db2.gz HJOLSPKRKLTQEL-GFCCVEGCSA-N 1 2 357.223 2.491 20 10 FECDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894544615 689551305 /nfs/dbraw/zinc/55/13/05/689551305.db2.gz HJOLSPKRKLTQEL-GFCCVEGCSA-N 1 2 357.223 2.491 20 10 FECDLO COCCc1noc(C[N@H+](C)Cc2cc(Br)ccc2O)n1 ZINC000093586927 542935087 /nfs/dbraw/zinc/93/50/87/542935087.db2.gz JHZWTKWYKFLCGG-UHFFFAOYSA-N 1 2 356.220 2.359 20 10 FECDLO COCCc1noc(C[N@@H+](C)Cc2cc(Br)ccc2O)n1 ZINC000093586927 542935090 /nfs/dbraw/zinc/93/50/90/542935090.db2.gz JHZWTKWYKFLCGG-UHFFFAOYSA-N 1 2 356.220 2.359 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(Cc3noc(C)n3)CC2)c1O ZINC000177164870 546559985 /nfs/dbraw/zinc/55/99/85/546559985.db2.gz UXLSWQZHMAIDAY-UHFFFAOYSA-N 1 2 364.833 2.257 20 10 FECDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000180399867 547101873 /nfs/dbraw/zinc/10/18/73/547101873.db2.gz DDHAKVYPPBKHJX-UHFFFAOYSA-N 1 2 371.393 2.267 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000180606453 547140578 /nfs/dbraw/zinc/14/05/78/547140578.db2.gz CXSCVPJPDWNYIL-DRDHIDPGSA-N 1 2 374.462 2.362 20 10 FECDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000192918205 548376953 /nfs/dbraw/zinc/37/69/53/548376953.db2.gz WVMNLKQGFQCYEN-UHFFFAOYSA-N 1 2 356.422 2.455 20 10 FECDLO O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000268632073 550096888 /nfs/dbraw/zinc/09/68/88/550096888.db2.gz WGXYUUKGZRLKQL-UHFFFAOYSA-N 1 2 371.437 2.294 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000273968541 550517294 /nfs/dbraw/zinc/51/72/94/550517294.db2.gz JHQBUBUUNSJYFK-AWEZNQCLSA-N 1 2 351.834 2.284 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000273968541 550517296 /nfs/dbraw/zinc/51/72/96/550517296.db2.gz JHQBUBUUNSJYFK-AWEZNQCLSA-N 1 2 351.834 2.284 20 10 FECDLO C[N@H+](CCCCO)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000276341341 550578308 /nfs/dbraw/zinc/57/83/08/550578308.db2.gz HDZCQVCEBSGOIG-UHFFFAOYSA-N 1 2 366.417 2.105 20 10 FECDLO C[N@@H+](CCCCO)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000276341341 550578310 /nfs/dbraw/zinc/57/83/10/550578310.db2.gz HDZCQVCEBSGOIG-UHFFFAOYSA-N 1 2 366.417 2.105 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(c3ncccc3F)CC2)ccc1[N+](=O)[O-] ZINC000278171174 550756958 /nfs/dbraw/zinc/75/69/58/550756958.db2.gz FWWMWJYBZJZKET-UHFFFAOYSA-N 1 2 362.361 2.165 20 10 FECDLO COc1ccc(N2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)cc1 ZINC000278478221 550790598 /nfs/dbraw/zinc/79/05/98/550790598.db2.gz XMBQVZKVMFZZJZ-UHFFFAOYSA-N 1 2 371.510 2.365 20 10 FECDLO COc1ccc(N2CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)cc1 ZINC000278478221 550790600 /nfs/dbraw/zinc/79/06/00/550790600.db2.gz XMBQVZKVMFZZJZ-UHFFFAOYSA-N 1 2 371.510 2.365 20 10 FECDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)s1 ZINC000280642783 551016645 /nfs/dbraw/zinc/01/66/45/551016645.db2.gz RLSGFZFRZPFLFV-UHFFFAOYSA-N 1 2 356.425 2.445 20 10 FECDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000287593865 552023049 /nfs/dbraw/zinc/02/30/49/552023049.db2.gz QPIDAWJEJSISRI-APWZRJJASA-N 1 2 372.513 2.074 20 10 FECDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000298030632 553373873 /nfs/dbraw/zinc/37/38/73/553373873.db2.gz NPLLIUIGIJYZQX-UHFFFAOYSA-N 1 2 372.469 2.266 20 10 FECDLO COc1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccn3)CC2)cc1OC ZINC000301944116 553693404 /nfs/dbraw/zinc/69/34/04/553693404.db2.gz WLTSLBCBBCWEMD-UHFFFAOYSA-N 1 2 358.398 2.329 20 10 FECDLO CCc1nc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000363085777 555027347 /nfs/dbraw/zinc/02/73/47/555027347.db2.gz ITVMLFXZCGMXQH-MRXNPFEDSA-N 1 2 371.485 2.194 20 10 FECDLO CCc1nc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000363085777 555027349 /nfs/dbraw/zinc/02/73/49/555027349.db2.gz ITVMLFXZCGMXQH-MRXNPFEDSA-N 1 2 371.485 2.194 20 10 FECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366476921 555855317 /nfs/dbraw/zinc/85/53/17/555855317.db2.gz RZBXFXNVHORQHB-LJQANCHMSA-N 1 2 360.502 2.147 20 10 FECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366476921 555855318 /nfs/dbraw/zinc/85/53/18/555855318.db2.gz RZBXFXNVHORQHB-LJQANCHMSA-N 1 2 360.502 2.147 20 10 FECDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000367162423 556002465 /nfs/dbraw/zinc/00/24/65/556002465.db2.gz BCVQWOARTNRUEN-GOSISDBHSA-N 1 2 368.481 2.355 20 10 FECDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000367162423 556002469 /nfs/dbraw/zinc/00/24/69/556002469.db2.gz BCVQWOARTNRUEN-GOSISDBHSA-N 1 2 368.481 2.355 20 10 FECDLO O=C1NCC[N@@H+](Cc2cccc(F)c2O)[C@H]1Cc1nc2ccccc2o1 ZINC000368052457 556204471 /nfs/dbraw/zinc/20/44/71/556204471.db2.gz WCQCXZFHLORGBB-HNNXBMFYSA-N 1 2 355.369 2.216 20 10 FECDLO O=C1NCC[N@H+](Cc2cccc(F)c2O)[C@H]1Cc1nc2ccccc2o1 ZINC000368052457 556204473 /nfs/dbraw/zinc/20/44/73/556204473.db2.gz WCQCXZFHLORGBB-HNNXBMFYSA-N 1 2 355.369 2.216 20 10 FECDLO CCOCCONC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000372920439 557588670 /nfs/dbraw/zinc/58/86/70/557588670.db2.gz ANSNMIRKGGRNJY-UHFFFAOYSA-N 1 2 351.447 2.274 20 10 FECDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000375265128 558001068 /nfs/dbraw/zinc/00/10/68/558001068.db2.gz FNPMPHJGWREGRD-FQEVSTJZSA-N 1 2 370.497 2.447 20 10 FECDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000375265128 558001070 /nfs/dbraw/zinc/00/10/70/558001070.db2.gz FNPMPHJGWREGRD-FQEVSTJZSA-N 1 2 370.497 2.447 20 10 FECDLO OC[C@@H]1CCCN(c2cc(N3CC=C(c4cccnc4)CC3)nc[nH+]2)C1 ZINC000375355967 558014549 /nfs/dbraw/zinc/01/45/49/558014549.db2.gz LOKZWHZMJDGPRM-MRXNPFEDSA-N 1 2 351.454 2.374 20 10 FECDLO OC[C@@H]1CCCN(c2cc(N3CC=C(c4cccnc4)CC3)[nH+]cn2)C1 ZINC000375355967 558014550 /nfs/dbraw/zinc/01/45/50/558014550.db2.gz LOKZWHZMJDGPRM-MRXNPFEDSA-N 1 2 351.454 2.374 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213685 558289938 /nfs/dbraw/zinc/28/99/38/558289938.db2.gz IVGDGNQSLKLHLH-YVEFUNNKSA-N 1 2 352.387 2.079 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213685 558289940 /nfs/dbraw/zinc/28/99/40/558289940.db2.gz IVGDGNQSLKLHLH-YVEFUNNKSA-N 1 2 352.387 2.079 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@@H]3CCCC(=O)N3)CC2)cc1 ZINC000377383836 558330282 /nfs/dbraw/zinc/33/02/82/558330282.db2.gz KHMJNQVINHDULA-HNNXBMFYSA-N 1 2 359.470 2.181 20 10 FECDLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472778829 561035051 /nfs/dbraw/zinc/03/50/51/561035051.db2.gz OLZGEVDCYDMTRQ-UHFFFAOYSA-N 1 2 352.394 2.145 20 10 FECDLO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000135974145 672136557 /nfs/dbraw/zinc/13/65/57/672136557.db2.gz ZKEGTGULVKSWPF-INIZCTEOSA-N 1 2 356.495 2.315 20 10 FECDLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708196345 673064616 /nfs/dbraw/zinc/06/46/16/673064616.db2.gz IGFRDURLJXBZJN-SSDOTTSWSA-N 1 2 356.669 2.331 20 10 FECDLO O=C(NCc1cccc(Br)c1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000765763607 680854468 /nfs/dbraw/zinc/85/44/68/680854468.db2.gz FGNHTMOUJWFYLX-LLVKDONJSA-N 1 2 350.216 2.230 20 10 FECDLO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(F)cc(F)c1O ZINC000756397707 680476408 /nfs/dbraw/zinc/47/64/08/680476408.db2.gz TTZSVQKYQHCMAB-SNVBAGLBSA-N 1 2 356.394 2.211 20 10 FECDLO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)cc(F)c1O ZINC000756611994 680488663 /nfs/dbraw/zinc/48/86/63/680488663.db2.gz LGXRPTQSKYDDRR-AMIZOPFISA-N 1 2 358.211 2.412 20 10 FECDLO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756776550 680497310 /nfs/dbraw/zinc/49/73/10/680497310.db2.gz PXSLEUSOVZYJPR-OQPBUACISA-N 1 2 358.211 2.412 20 10 FECDLO COc1c(O)c(C[NH2+]Cc2n[nH]cc2Br)ccc1[N+](=O)[O-] ZINC000775022841 681268465 /nfs/dbraw/zinc/26/84/65/681268465.db2.gz HDXUEGPDHYDLJF-UHFFFAOYSA-N 1 2 357.164 2.084 20 10 FECDLO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Br)cc(F)c1O ZINC000790738554 682698543 /nfs/dbraw/zinc/69/85/43/682698543.db2.gz HIWHVRDVOZAEML-MRVPVSSYSA-N 1 2 371.210 2.266 20 10 FECDLO O=S1(=O)C[C@H]2C[N@H+](Cc3ccc(Br)cc3O)CC[C@@H]2C1 ZINC000877791488 686462173 /nfs/dbraw/zinc/46/21/73/686462173.db2.gz QNBZLYTXDJNLMY-VXGBXAGGSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@H]2C[N@@H+](Cc3ccc(Br)cc3O)CC[C@@H]2C1 ZINC000877791488 686462177 /nfs/dbraw/zinc/46/21/77/686462177.db2.gz QNBZLYTXDJNLMY-VXGBXAGGSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC000877791915 686463131 /nfs/dbraw/zinc/46/31/31/686463131.db2.gz KXJQRLQMPLPDLD-PWSUYJOCSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC000877791915 686463134 /nfs/dbraw/zinc/46/31/34/686463134.db2.gz KXJQRLQMPLPDLD-PWSUYJOCSA-N 1 2 360.273 2.021 20 10 FECDLO OCCCN1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883131962 687573579 /nfs/dbraw/zinc/57/35/79/687573579.db2.gz ALGRUOAJQZENLV-ZDUSSCGKSA-N 1 2 361.255 2.230 20 10 FECDLO COc1ccc(C[NH2+]Cc2nn(C)cc2Br)c(O)c1OC ZINC000894715300 689581663 /nfs/dbraw/zinc/58/16/63/689581663.db2.gz UTKCDPJMMYSSRC-UHFFFAOYSA-N 1 2 356.220 2.195 20 10 FECDLO Oc1c(F)cc(Br)cc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895258434 689686296 /nfs/dbraw/zinc/68/62/96/689686296.db2.gz CVKGQZIHFVUZRA-ZDUSSCGKSA-N 1 2 359.239 2.200 20 10 FECDLO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(F)c(F)c2O)CCC1 ZINC000896284421 689849381 /nfs/dbraw/zinc/84/93/81/689849381.db2.gz YPVKFCCZSQACNL-UHFFFAOYSA-N 1 2 362.442 2.401 20 10 FECDLO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000171632822 546216010 /nfs/dbraw/zinc/21/60/10/546216010.db2.gz CMFZTAIYLVBURJ-SJORKVTESA-N 1 2 360.502 2.195 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000178796898 546851521 /nfs/dbraw/zinc/85/15/21/546851521.db2.gz UIWBRPHWRYTVFS-SANMLTNESA-N 1 2 373.522 2.238 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000178796898 546851526 /nfs/dbraw/zinc/85/15/26/546851526.db2.gz UIWBRPHWRYTVFS-SANMLTNESA-N 1 2 373.522 2.238 20 10 FECDLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 ZINC000191801255 548351081 /nfs/dbraw/zinc/35/10/81/548351081.db2.gz CJGCGZVIBKTWRX-KRWDZBQOSA-N 1 2 355.394 2.500 20 10 FECDLO COc1ccc([C@@H](NC(=O)c2cccc(O)c2O)c2[nH+]ccn2C)cc1 ZINC000192962308 548376782 /nfs/dbraw/zinc/37/67/82/548376782.db2.gz SIDRPRIOXPHXNM-MRXNPFEDSA-N 1 2 353.378 2.359 20 10 FECDLO Cc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCOCC2)cc1 ZINC000237917198 548863698 /nfs/dbraw/zinc/86/36/98/548863698.db2.gz ZEAMIONHNXHACH-FQEVSTJZSA-N 1 2 353.466 2.309 20 10 FECDLO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000274730154 550550846 /nfs/dbraw/zinc/55/08/46/550550846.db2.gz BPQFOUBGLCIXQX-CYBMUJFWSA-N 1 2 358.398 2.383 20 10 FECDLO C[C@@H]([NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(F)c(F)c1O ZINC000278975758 550842290 /nfs/dbraw/zinc/84/22/90/550842290.db2.gz OCOPIHQENDCCSR-VXGBXAGGSA-N 1 2 364.396 2.084 20 10 FECDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000297864828 553349596 /nfs/dbraw/zinc/34/95/96/553349596.db2.gz MEDSDHULICYTDD-UHFFFAOYSA-N 1 2 365.437 2.435 20 10 FECDLO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc(F)c(F)c1O ZINC000364800736 555406591 /nfs/dbraw/zinc/40/65/91/555406591.db2.gz AZHCZXXWQAZTGV-ACJLOTCBSA-N 1 2 356.413 2.202 20 10 FECDLO COc1ccc(N2CCC(N(C)C(=O)NCc3c[nH+]cn3C)CC2)cc1 ZINC000366114058 555756077 /nfs/dbraw/zinc/75/60/77/555756077.db2.gz NAOAWBUQWQWXQU-UHFFFAOYSA-N 1 2 357.458 2.239 20 10 FECDLO Fc1cc(CNc2cccc(-n3cc[nH+]c3)n2)ccc1N1CCOCC1 ZINC000370746879 556956221 /nfs/dbraw/zinc/95/62/21/556956221.db2.gz IZKDZVIJQDTAHY-UHFFFAOYSA-N 1 2 353.401 2.855 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000472242149 561021807 /nfs/dbraw/zinc/02/18/07/561021807.db2.gz STWLINDCQUEXHE-MRXNPFEDSA-N 1 2 356.470 2.103 20 10 FECDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093843365 670755819 /nfs/dbraw/zinc/75/58/19/670755819.db2.gz IBVQHTDDJPSBRW-AWEZNQCLSA-N 1 2 351.878 2.174 20 10 FECDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000130184048 672072042 /nfs/dbraw/zinc/07/20/42/672072042.db2.gz YMEOOTNUEYWXPI-CYBMUJFWSA-N 1 2 368.861 2.279 20 10 FECDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000130184048 672072045 /nfs/dbraw/zinc/07/20/45/672072045.db2.gz YMEOOTNUEYWXPI-CYBMUJFWSA-N 1 2 368.861 2.279 20 10 FECDLO CC[C@@H](SC)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000746821085 673893632 /nfs/dbraw/zinc/89/36/32/673893632.db2.gz MEZNMBOPPNPIEQ-QGZVFWFLSA-N 1 2 351.516 2.075 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1Cl ZINC000824542489 675609550 /nfs/dbraw/zinc/60/95/50/675609550.db2.gz UBJTXDJKRRCDQX-ZDUSSCGKSA-N 1 2 351.878 2.139 20 10 FECDLO CC1(C)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@@]1=O ZINC000825024492 675634014 /nfs/dbraw/zinc/63/40/14/675634014.db2.gz QAINUOMMAYCTRS-DEOSSOPVSA-N 1 2 354.491 2.395 20 10 FECDLO CC1(C)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@@]1=O ZINC000825024492 675634015 /nfs/dbraw/zinc/63/40/15/675634015.db2.gz QAINUOMMAYCTRS-DEOSSOPVSA-N 1 2 354.491 2.395 20 10 FECDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825623031 675661311 /nfs/dbraw/zinc/66/13/11/675661311.db2.gz ZHVUOXXLCLNJNM-JKSUJKDBSA-N 1 2 351.443 2.197 20 10 FECDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825623031 675661314 /nfs/dbraw/zinc/66/13/14/675661314.db2.gz ZHVUOXXLCLNJNM-JKSUJKDBSA-N 1 2 351.443 2.197 20 10 FECDLO O=S1(=O)CCC(CC[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000768653719 680954138 /nfs/dbraw/zinc/95/41/38/680954138.db2.gz WCIKIEQONVKVPT-UHFFFAOYSA-N 1 2 362.289 2.459 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)OCC(C)C)CC2)cc1OC ZINC000768443540 680946984 /nfs/dbraw/zinc/94/69/84/680946984.db2.gz FXFYGJZKMRSYLN-UHFFFAOYSA-N 1 2 352.431 2.320 20 10 FECDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000769543471 680986565 /nfs/dbraw/zinc/98/65/65/680986565.db2.gz QAQDTWOGSXBQKO-CQSZACIVSA-N 1 2 351.878 2.174 20 10 FECDLO CCN(C)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000773803758 681156036 /nfs/dbraw/zinc/15/60/36/681156036.db2.gz BUMCNKBMXKOFNL-MOPGFXCFSA-N 1 2 366.527 2.311 20 10 FECDLO CCN(C)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000773803758 681156038 /nfs/dbraw/zinc/15/60/38/681156038.db2.gz BUMCNKBMXKOFNL-MOPGFXCFSA-N 1 2 366.527 2.311 20 10 FECDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775650128 681321607 /nfs/dbraw/zinc/32/16/07/681321607.db2.gz QTFVOVPJIDZRFE-CYBMUJFWSA-N 1 2 364.870 2.479 20 10 FECDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775650128 681321613 /nfs/dbraw/zinc/32/16/13/681321613.db2.gz QTFVOVPJIDZRFE-CYBMUJFWSA-N 1 2 364.870 2.479 20 10 FECDLO CN(C)c1ccc(C[NH2+]Cc2nnnn2CC2CC2)c(C(F)(F)F)c1 ZINC000793086618 682862852 /nfs/dbraw/zinc/86/28/52/682862852.db2.gz UYTAUNRWHXSRBQ-UHFFFAOYSA-N 1 2 354.380 2.458 20 10 FECDLO O=C(NCCCn1cc[nH+]c1)NCc1cc(Br)ccc1O ZINC000794805318 682997178 /nfs/dbraw/zinc/99/71/78/682997178.db2.gz UGPFQFVCRUAICP-UHFFFAOYSA-N 1 2 353.220 2.241 20 10 FECDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C2)C1 ZINC000879484053 686833414 /nfs/dbraw/zinc/83/34/14/686833414.db2.gz RAFSNPRFCDSADA-QGZVFWFLSA-N 1 2 366.801 2.142 20 10 FECDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C2)C1 ZINC000879484053 686833417 /nfs/dbraw/zinc/83/34/17/686833417.db2.gz RAFSNPRFCDSADA-QGZVFWFLSA-N 1 2 366.801 2.142 20 10 FECDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000894052651 689456914 /nfs/dbraw/zinc/45/69/14/689456914.db2.gz DJKBCARHGMYKSZ-GFCCVEGCSA-N 1 2 373.266 2.448 20 10 FECDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000894052651 689456915 /nfs/dbraw/zinc/45/69/15/689456915.db2.gz DJKBCARHGMYKSZ-GFCCVEGCSA-N 1 2 373.266 2.448 20 10 FECDLO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cccc(Cl)c1O ZINC000896303676 689852506 /nfs/dbraw/zinc/85/25/06/689852506.db2.gz CFMPSYVDYCCEBG-UHFFFAOYSA-N 1 2 354.859 2.255 20 10 FECDLO O=S(=O)(C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)N1CCCCC1 ZINC000897271736 689998059 /nfs/dbraw/zinc/99/80/59/689998059.db2.gz RWEIMGPXZNBYBS-UHFFFAOYSA-N 1 2 374.453 2.451 20 10 FECDLO O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC000898457873 690186762 /nfs/dbraw/zinc/18/67/62/690186762.db2.gz TXMXFRAYTFJXMR-ZIAGYGMSSA-N 1 2 367.364 2.473 20 10 FECDLO O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC000898457873 690186763 /nfs/dbraw/zinc/18/67/63/690186763.db2.gz TXMXFRAYTFJXMR-ZIAGYGMSSA-N 1 2 367.364 2.473 20 10 FECDLO CN(C)c1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000057646626 540806064 /nfs/dbraw/zinc/80/60/64/540806064.db2.gz BUJKFBVRJIRUHA-UHFFFAOYSA-N 1 2 357.433 2.319 20 10 FECDLO C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1n1cc[nH+]c1 ZINC000131488930 544192004 /nfs/dbraw/zinc/19/20/04/544192004.db2.gz RZAZCWRSZXXSHG-ABAIWWIYSA-N 1 2 357.370 2.210 20 10 FECDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180631765 547145832 /nfs/dbraw/zinc/14/58/32/547145832.db2.gz NOQNISBSNNISGK-CQSZACIVSA-N 1 2 351.878 2.174 20 10 FECDLO COc1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cc(C)no3)CC2)cc1OC ZINC000271052716 550335586 /nfs/dbraw/zinc/33/55/86/550335586.db2.gz QEMOYYZIXLVHGN-UHFFFAOYSA-N 1 2 362.386 2.231 20 10 FECDLO Cc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(O)c1O ZINC000272741953 550468114 /nfs/dbraw/zinc/46/81/14/550468114.db2.gz IOZQOTUBBREIFN-UHFFFAOYSA-N 1 2 369.421 2.046 20 10 FECDLO COc1cccc(C[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000272987637 550479569 /nfs/dbraw/zinc/47/95/69/550479569.db2.gz YWVKANFUUKVRER-CYBMUJFWSA-N 1 2 366.458 2.069 20 10 FECDLO COc1cccc(C[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000272987637 550479570 /nfs/dbraw/zinc/47/95/70/550479570.db2.gz YWVKANFUUKVRER-CYBMUJFWSA-N 1 2 366.458 2.069 20 10 FECDLO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O ZINC000276861534 550604226 /nfs/dbraw/zinc/60/42/26/550604226.db2.gz CORLCQSONBLDEU-WDEREUQCSA-N 1 2 367.348 2.490 20 10 FECDLO Cc1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000279423680 550888689 /nfs/dbraw/zinc/88/86/89/550888689.db2.gz YGJYWDGDKBQWQH-INIZCTEOSA-N 1 2 356.470 2.282 20 10 FECDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000294032591 552876907 /nfs/dbraw/zinc/87/69/07/552876907.db2.gz OICGNTQHAQBSIC-UHFFFAOYSA-N 1 2 371.393 2.267 20 10 FECDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc[nH+]1 ZINC000294594505 552918756 /nfs/dbraw/zinc/91/87/56/552918756.db2.gz ZMETZZFFHXRYDT-OAHLLOKOSA-N 1 2 371.485 2.090 20 10 FECDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)[nH+]cn1 ZINC000294594505 552918757 /nfs/dbraw/zinc/91/87/57/552918757.db2.gz ZMETZZFFHXRYDT-OAHLLOKOSA-N 1 2 371.485 2.090 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000298832062 553478592 /nfs/dbraw/zinc/47/85/92/553478592.db2.gz VVKQFBXWRDDMGI-KRWDZBQOSA-N 1 2 369.469 2.188 20 10 FECDLO O=C(NCc1ccccc1O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000299485215 553569955 /nfs/dbraw/zinc/56/99/55/553569955.db2.gz HYISYCMGJSXABQ-GOSISDBHSA-N 1 2 355.438 2.265 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3scnc3C)CC2)cc1 ZINC000299511338 553573482 /nfs/dbraw/zinc/57/34/82/553573482.db2.gz SOMHYNRRTUKFRY-UHFFFAOYSA-N 1 2 360.483 2.012 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)[C@H]3CCCOC3)CC2)cc1 ZINC000363977350 555226041 /nfs/dbraw/zinc/22/60/41/555226041.db2.gz UDIOGOWLOHZRNU-SFHVURJKSA-N 1 2 368.499 2.105 20 10 FECDLO COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000367543506 556078383 /nfs/dbraw/zinc/07/83/83/556078383.db2.gz CJNJHZDJUKBQDK-ZWKOTPCHSA-N 1 2 360.454 2.322 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831296 556149966 /nfs/dbraw/zinc/14/99/66/556149966.db2.gz HGLRVNYMYMARNE-ZDUSSCGKSA-N 1 2 372.443 2.098 20 10 FECDLO COc1c(O)c(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831296 556149968 /nfs/dbraw/zinc/14/99/68/556149968.db2.gz HGLRVNYMYMARNE-ZDUSSCGKSA-N 1 2 372.443 2.098 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H](C)C[S@@](C)=O)CC2)cc1 ZINC000368358042 556287043 /nfs/dbraw/zinc/28/70/43/556287043.db2.gz QBTAKVWNLWKKRB-DLUDVSRJSA-N 1 2 367.515 2.072 20 10 FECDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000372584097 557512836 /nfs/dbraw/zinc/51/28/36/557512836.db2.gz NFVPPGRYHJHBKD-UHFFFAOYSA-N 1 2 368.481 2.036 20 10 FECDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000372584097 557512838 /nfs/dbraw/zinc/51/28/38/557512838.db2.gz NFVPPGRYHJHBKD-UHFFFAOYSA-N 1 2 368.481 2.036 20 10 FECDLO OC[C@H]1CCCN(c2cc(N3CC=C(c4cccnc4)CC3)nc[nH+]2)C1 ZINC000375355966 558014521 /nfs/dbraw/zinc/01/45/21/558014521.db2.gz LOKZWHZMJDGPRM-INIZCTEOSA-N 1 2 351.454 2.374 20 10 FECDLO OC[C@H]1CCCN(c2cc(N3CC=C(c4cccnc4)CC3)[nH+]cn2)C1 ZINC000375355966 558014523 /nfs/dbraw/zinc/01/45/23/558014523.db2.gz LOKZWHZMJDGPRM-INIZCTEOSA-N 1 2 351.454 2.374 20 10 FECDLO CCCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000377202577 558287888 /nfs/dbraw/zinc/28/78/88/558287888.db2.gz WLXYMJNMXBTDFE-UHFFFAOYSA-N 1 2 351.403 2.143 20 10 FECDLO CCCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000377202577 558287890 /nfs/dbraw/zinc/28/78/90/558287890.db2.gz WLXYMJNMXBTDFE-UHFFFAOYSA-N 1 2 351.403 2.143 20 10 FECDLO Cc1cc(Br)cc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)c1O ZINC000378530026 558576221 /nfs/dbraw/zinc/57/62/21/558576221.db2.gz FAABMLMDURLAAA-JTQLQIEISA-N 1 2 367.247 2.165 20 10 FECDLO O=S(=O)(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179554093 672403137 /nfs/dbraw/zinc/40/31/37/672403137.db2.gz LCSSHZHWQPRVMZ-UHFFFAOYSA-N 1 2 368.405 2.177 20 10 FECDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)S(C)(=O)=O ZINC000708176349 673064626 /nfs/dbraw/zinc/06/46/26/673064626.db2.gz GAXNNQXPMOIMKQ-SSDOTTSWSA-N 1 2 356.669 2.331 20 10 FECDLO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)cc(F)c1O ZINC000818362046 675216307 /nfs/dbraw/zinc/21/63/07/675216307.db2.gz OSNLOVNVMBSFOE-RDDDGLTNSA-N 1 2 359.195 2.092 20 10 FECDLO COc1cccc(O)c1C[NH2+]Cc1nn(C)cc1I ZINC000825079030 675635868 /nfs/dbraw/zinc/63/58/68/675635868.db2.gz KDBLBHXJFDUUBG-UHFFFAOYSA-N 1 2 373.194 2.029 20 10 FECDLO O=C(NCc1cccc(Br)c1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000765728288 680852797 /nfs/dbraw/zinc/85/27/97/680852797.db2.gz GEIRFILNLWUJOS-SNVBAGLBSA-N 1 2 350.216 2.230 20 10 FECDLO COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756528455 680483254 /nfs/dbraw/zinc/48/32/54/680483254.db2.gz MSQGJGAIMADPQU-AWEZNQCLSA-N 1 2 350.459 2.330 20 10 FECDLO COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756528455 680483260 /nfs/dbraw/zinc/48/32/60/680483260.db2.gz MSQGJGAIMADPQU-AWEZNQCLSA-N 1 2 350.459 2.330 20 10 FECDLO COc1c(O)c(C[NH2+][C@H](CO)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000775014821 681267765 /nfs/dbraw/zinc/26/77/65/681267765.db2.gz CSGVSWOQRXHDTD-GFCCVEGCSA-N 1 2 354.309 2.410 20 10 FECDLO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CCO2 ZINC000776519831 681398716 /nfs/dbraw/zinc/39/87/16/681398716.db2.gz JCZJPMRLVDARDO-SWLSCSKDSA-N 1 2 363.838 2.011 20 10 FECDLO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000792199911 682795984 /nfs/dbraw/zinc/79/59/84/682795984.db2.gz FPTAYIDOQMHSBS-UHFFFAOYSA-N 1 2 373.833 2.241 20 10 FECDLO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1O ZINC000858434803 682968288 /nfs/dbraw/zinc/96/82/88/682968288.db2.gz PZVDPIIYRDDCCR-PELKAZGASA-N 1 2 358.211 2.412 20 10 FECDLO C[C@H]([NH2+][C@@H]1CNOC1)c1cc(Br)cc(Br)c1O ZINC000925861962 683045349 /nfs/dbraw/zinc/04/53/49/683045349.db2.gz JSFAZAIMDCLKOQ-POYBYMJQSA-N 1 2 366.053 2.471 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872268431 684933450 /nfs/dbraw/zinc/93/34/50/684933450.db2.gz IOTHJQFHQVCFBN-MRXNPFEDSA-N 1 2 355.429 2.067 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872268431 684933452 /nfs/dbraw/zinc/93/34/52/684933452.db2.gz IOTHJQFHQVCFBN-MRXNPFEDSA-N 1 2 355.429 2.067 20 10 FECDLO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000877735118 686446996 /nfs/dbraw/zinc/44/69/96/686446996.db2.gz ITMZKIDCNPBNMM-UHFFFAOYSA-N 1 2 372.849 2.425 20 10 FECDLO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883028089 687550032 /nfs/dbraw/zinc/55/00/32/687550032.db2.gz ZPBZDLWYBXSAHY-UHFFFAOYSA-N 1 2 366.252 2.208 20 10 FECDLO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883044561 687552217 /nfs/dbraw/zinc/55/22/17/687552217.db2.gz WOMFEGVHGVCESG-NSHDSACASA-N 1 2 360.227 2.187 20 10 FECDLO Cn1cc([C@@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2O)cn1 ZINC000883076731 687557766 /nfs/dbraw/zinc/55/77/66/687557766.db2.gz LEVSHQYXXDTLBA-GFCCVEGCSA-N 1 2 360.639 2.365 20 10 FECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000883135216 687574294 /nfs/dbraw/zinc/57/42/94/687574294.db2.gz YOLNHRLMJRBLKR-BETUJISGSA-N 1 2 359.239 2.247 20 10 FECDLO CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043142107 540091700 /nfs/dbraw/zinc/09/17/00/540091700.db2.gz DPYCJBDWNJGRSF-LJQANCHMSA-N 1 2 369.465 2.435 20 10 FECDLO CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043142107 540091703 /nfs/dbraw/zinc/09/17/03/540091703.db2.gz DPYCJBDWNJGRSF-LJQANCHMSA-N 1 2 369.465 2.435 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCc3noc(C)n3)CC2)cc1 ZINC000074611122 542103303 /nfs/dbraw/zinc/10/33/03/542103303.db2.gz NNFQXRPGKIXTSG-UHFFFAOYSA-N 1 2 359.430 2.197 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3ccccn3)CC2)cc1 ZINC000127952656 544023980 /nfs/dbraw/zinc/02/39/80/544023980.db2.gz MFJFOBHGAVTPMW-QGZVFWFLSA-N 1 2 368.481 2.432 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)c3ccccn3)CC2)cc1 ZINC000127952656 544023982 /nfs/dbraw/zinc/02/39/82/544023982.db2.gz MFJFOBHGAVTPMW-QGZVFWFLSA-N 1 2 368.481 2.432 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000528776042 562346924 /nfs/dbraw/zinc/34/69/24/562346924.db2.gz BIDOHICJSQTZHS-KGLIPLIRSA-N 1 2 357.859 2.400 20 10 FECDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2[nH+]ccn2c1 ZINC000171804010 546225648 /nfs/dbraw/zinc/22/56/48/546225648.db2.gz MIQZFNHZLROFHP-UHFFFAOYSA-N 1 2 368.412 2.365 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)c1O ZINC000175649431 546327153 /nfs/dbraw/zinc/32/71/53/546327153.db2.gz ZAZSMIHUGBJDMI-UHFFFAOYSA-N 1 2 362.405 2.133 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(Cc3noc(C)n3)CC2)c1O ZINC000175649431 546327155 /nfs/dbraw/zinc/32/71/55/546327155.db2.gz ZAZSMIHUGBJDMI-UHFFFAOYSA-N 1 2 362.405 2.133 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@]23CCOC3=O)c1O ZINC000190033108 548316485 /nfs/dbraw/zinc/31/64/85/548316485.db2.gz JTWYWGJXDYCKGM-OAHLLOKOSA-N 1 2 356.216 2.445 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CCC[C@]23CCOC3=O)c1O ZINC000190033108 548316487 /nfs/dbraw/zinc/31/64/87/548316487.db2.gz JTWYWGJXDYCKGM-OAHLLOKOSA-N 1 2 356.216 2.445 20 10 FECDLO COc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCOCC2)cc1 ZINC000237325439 548818947 /nfs/dbraw/zinc/81/89/47/548818947.db2.gz JHDMJGCDMCGRPK-FQEVSTJZSA-N 1 2 369.465 2.010 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000273968543 550517406 /nfs/dbraw/zinc/51/74/06/550517406.db2.gz JHQBUBUUNSJYFK-CQSZACIVSA-N 1 2 351.834 2.284 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000273968543 550517407 /nfs/dbraw/zinc/51/74/07/550517407.db2.gz JHQBUBUUNSJYFK-CQSZACIVSA-N 1 2 351.834 2.284 20 10 FECDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278183752 550758593 /nfs/dbraw/zinc/75/85/93/550758593.db2.gz HAORWRAZOSOVKK-LBPRGKRZSA-N 1 2 353.375 2.020 20 10 FECDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278183752 550758595 /nfs/dbraw/zinc/75/85/95/550758595.db2.gz HAORWRAZOSOVKK-LBPRGKRZSA-N 1 2 353.375 2.020 20 10 FECDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)O1 ZINC000282484931 551235786 /nfs/dbraw/zinc/23/57/86/551235786.db2.gz PEIBIKSWUUJZQN-XLUQRUARSA-N 1 2 365.401 2.417 20 10 FECDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)O1 ZINC000282484931 551235789 /nfs/dbraw/zinc/23/57/89/551235789.db2.gz PEIBIKSWUUJZQN-XLUQRUARSA-N 1 2 365.401 2.417 20 10 FECDLO CS(=O)(=O)N1CCC([N@@H+](Cc2cc(F)ccc2O)CC(F)F)CC1 ZINC000283135773 551317261 /nfs/dbraw/zinc/31/72/61/551317261.db2.gz WHZLKUHEKRCFOC-UHFFFAOYSA-N 1 2 366.405 2.022 20 10 FECDLO CS(=O)(=O)N1CCC([N@H+](Cc2cc(F)ccc2O)CC(F)F)CC1 ZINC000283135773 551317262 /nfs/dbraw/zinc/31/72/62/551317262.db2.gz WHZLKUHEKRCFOC-UHFFFAOYSA-N 1 2 366.405 2.022 20 10 FECDLO Cc1cccc(CNc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)c1O ZINC000289061516 552260293 /nfs/dbraw/zinc/26/02/93/552260293.db2.gz ANYJWKQILTZBSU-UHFFFAOYSA-N 1 2 369.465 2.375 20 10 FECDLO CCN(CC)c1ccc(C[N@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000290361374 552466557 /nfs/dbraw/zinc/46/65/57/552466557.db2.gz GVGZROYFOHJKSW-MRXNPFEDSA-N 1 2 372.506 2.307 20 10 FECDLO CCN(CC)c1ccc(C[N@@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000290361374 552466558 /nfs/dbraw/zinc/46/65/58/552466558.db2.gz GVGZROYFOHJKSW-MRXNPFEDSA-N 1 2 372.506 2.307 20 10 FECDLO Oc1cc(F)c(Cl)cc1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000293663937 552845240 /nfs/dbraw/zinc/84/52/40/552845240.db2.gz PTFUHPHHWBPEPP-UHFFFAOYSA-N 1 2 354.813 2.326 20 10 FECDLO NC(=O)c1cccnc1N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295401201 553000428 /nfs/dbraw/zinc/00/04/28/553000428.db2.gz QSNKBHJBPNKNLB-UHFFFAOYSA-N 1 2 364.808 2.001 20 10 FECDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296703573 553200413 /nfs/dbraw/zinc/20/04/13/553200413.db2.gz IIEJFWXTALULOT-FUHWJXTLSA-N 1 2 360.479 2.493 20 10 FECDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296703573 553200414 /nfs/dbraw/zinc/20/04/14/553200414.db2.gz IIEJFWXTALULOT-FUHWJXTLSA-N 1 2 360.479 2.493 20 10 FECDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000362041223 554946052 /nfs/dbraw/zinc/94/60/52/554946052.db2.gz RIXXBJMUUBSTFU-ZDUSSCGKSA-N 1 2 372.860 2.490 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000365806712 555671609 /nfs/dbraw/zinc/67/16/09/555671609.db2.gz QRJIUKBTSMKIRF-UHFFFAOYSA-N 1 2 365.430 2.389 20 10 FECDLO COc1c(O)c(C[N@H+]2CCCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000365806712 555671610 /nfs/dbraw/zinc/67/16/10/555671610.db2.gz QRJIUKBTSMKIRF-UHFFFAOYSA-N 1 2 365.430 2.389 20 10 FECDLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000368270262 556264318 /nfs/dbraw/zinc/26/43/18/556264318.db2.gz UUGALMBIASVYOG-CYBMUJFWSA-N 1 2 360.248 2.401 20 10 FECDLO COCC[C@@H]1COCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000368270262 556264320 /nfs/dbraw/zinc/26/43/20/556264320.db2.gz UUGALMBIASVYOG-CYBMUJFWSA-N 1 2 360.248 2.401 20 10 FECDLO CN1CCc2cc(CNC(=O)N3CC[NH+](Cc4cccnc4)CC3)ccc21 ZINC000372452841 557474615 /nfs/dbraw/zinc/47/46/15/557474615.db2.gz FETCYDLSQNOOCW-UHFFFAOYSA-N 1 2 365.481 2.101 20 10 FECDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000373812484 557764930 /nfs/dbraw/zinc/76/49/30/557764930.db2.gz MULRLXNYANEUNM-SECBINFHSA-N 1 2 354.769 2.010 20 10 FECDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000373812484 557764931 /nfs/dbraw/zinc/76/49/31/557764931.db2.gz MULRLXNYANEUNM-SECBINFHSA-N 1 2 354.769 2.010 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@]3(C)CCC(=O)NC3)CC2)cc1 ZINC000373949720 557794313 /nfs/dbraw/zinc/79/43/13/557794313.db2.gz JIIVRAMXUIRVLT-HXUWFJFHSA-N 1 2 359.470 2.039 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000528776042 562346923 /nfs/dbraw/zinc/34/69/23/562346923.db2.gz BIDOHICJSQTZHS-KGLIPLIRSA-N 1 2 357.859 2.400 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000814174439 674824672 /nfs/dbraw/zinc/82/46/72/674824672.db2.gz CORGAKNRCRXGQY-LLVKDONJSA-N 1 2 362.289 2.330 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000814174439 674824675 /nfs/dbraw/zinc/82/46/75/674824675.db2.gz CORGAKNRCRXGQY-LLVKDONJSA-N 1 2 362.289 2.330 20 10 FECDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)s1 ZINC000055035254 670345533 /nfs/dbraw/zinc/34/55/33/670345533.db2.gz GVNDTQIFOVYTOV-UHFFFAOYSA-N 1 2 360.435 2.449 20 10 FECDLO COc1cc(Br)cc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)c1O ZINC000093384358 670751979 /nfs/dbraw/zinc/75/19/79/670751979.db2.gz SOEUOWANESIAEH-SECBINFHSA-N 1 2 366.277 2.028 20 10 FECDLO COc1cc(Br)cc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)c1O ZINC000093384358 670751982 /nfs/dbraw/zinc/75/19/82/670751982.db2.gz SOEUOWANESIAEH-SECBINFHSA-N 1 2 366.277 2.028 20 10 FECDLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093821176 670755688 /nfs/dbraw/zinc/75/56/88/670755688.db2.gz TVVFQRZKVNTRKI-OAHLLOKOSA-N 1 2 372.296 2.437 20 10 FECDLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093821176 670755690 /nfs/dbraw/zinc/75/56/90/670755690.db2.gz TVVFQRZKVNTRKI-OAHLLOKOSA-N 1 2 372.296 2.437 20 10 FECDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824813652 675622883 /nfs/dbraw/zinc/62/28/83/675622883.db2.gz FRXVPQWDAXUOSK-SNVBAGLBSA-N 1 2 350.278 2.410 20 10 FECDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824813652 675622885 /nfs/dbraw/zinc/62/28/85/675622885.db2.gz FRXVPQWDAXUOSK-SNVBAGLBSA-N 1 2 350.278 2.410 20 10 FECDLO CC1(C)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@]1=O ZINC000825024490 675634055 /nfs/dbraw/zinc/63/40/55/675634055.db2.gz QAINUOMMAYCTRS-XMMPIXPASA-N 1 2 354.491 2.395 20 10 FECDLO CC1(C)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@]1=O ZINC000825024490 675634056 /nfs/dbraw/zinc/63/40/56/675634056.db2.gz QAINUOMMAYCTRS-XMMPIXPASA-N 1 2 354.491 2.395 20 10 FECDLO COC(=O)c1cn(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)nn1 ZINC000761220003 680715406 /nfs/dbraw/zinc/71/54/06/680715406.db2.gz RRVNCUOHOAFLJG-UHFFFAOYSA-N 1 2 368.796 2.400 20 10 FECDLO Cc1cc(O)c(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c(Cl)c1 ZINC000840897470 680850915 /nfs/dbraw/zinc/85/09/15/680850915.db2.gz RMSKUBCLWRHGDQ-UHFFFAOYSA-N 1 2 353.894 2.386 20 10 FECDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754742123 680374178 /nfs/dbraw/zinc/37/41/78/680374178.db2.gz QEFUGEFKEKGDBM-MRXNPFEDSA-N 1 2 351.443 2.462 20 10 FECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754742123 680374184 /nfs/dbraw/zinc/37/41/84/680374184.db2.gz QEFUGEFKEKGDBM-MRXNPFEDSA-N 1 2 351.443 2.462 20 10 FECDLO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756776548 680497287 /nfs/dbraw/zinc/49/72/87/680497287.db2.gz PXSLEUSOVZYJPR-ISVAXAHUSA-N 1 2 358.211 2.412 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1O ZINC000770391202 681014677 /nfs/dbraw/zinc/01/46/77/681014677.db2.gz MIUAIVVTCMBKHV-GFCCVEGCSA-N 1 2 371.231 2.190 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c1O ZINC000770391202 681014679 /nfs/dbraw/zinc/01/46/79/681014679.db2.gz MIUAIVVTCMBKHV-GFCCVEGCSA-N 1 2 371.231 2.190 20 10 FECDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000775194801 681283699 /nfs/dbraw/zinc/28/36/99/681283699.db2.gz ZEIGSRFNLGTMJE-MRXNPFEDSA-N 1 2 370.490 2.061 20 10 FECDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000775194801 681283703 /nfs/dbraw/zinc/28/37/03/681283703.db2.gz ZEIGSRFNLGTMJE-MRXNPFEDSA-N 1 2 370.490 2.061 20 10 FECDLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000777534895 681500873 /nfs/dbraw/zinc/50/08/73/681500873.db2.gz SRHXGMNETPTARX-UHFFFAOYSA-N 1 2 359.451 2.370 20 10 FECDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1[O-] ZINC000850396543 681897623 /nfs/dbraw/zinc/89/76/23/681897623.db2.gz KZAVQRBSJCFZJW-CQSZACIVSA-N 1 2 355.822 2.297 20 10 FECDLO COc1ccc(N2CCC[N@H+](CN3C[C@@H](C(F)F)CC3=O)CC2)cc1 ZINC000795410814 683050151 /nfs/dbraw/zinc/05/01/51/683050151.db2.gz JVHSABLZQDQNER-AWEZNQCLSA-N 1 2 353.413 2.278 20 10 FECDLO COc1ccc(N2CCC[N@@H+](CN3C[C@@H](C(F)F)CC3=O)CC2)cc1 ZINC000795410814 683050153 /nfs/dbraw/zinc/05/01/53/683050153.db2.gz JVHSABLZQDQNER-AWEZNQCLSA-N 1 2 353.413 2.278 20 10 FECDLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(O)c1O ZINC000870994201 684778260 /nfs/dbraw/zinc/77/82/60/684778260.db2.gz STIAGVXFAWXDNV-UHFFFAOYSA-N 1 2 359.451 2.284 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000877795010 686464818 /nfs/dbraw/zinc/46/48/18/686464818.db2.gz ZUGJLRHSYABVOU-AAEUAGOBSA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000877795010 686464827 /nfs/dbraw/zinc/46/48/27/686464827.db2.gz ZUGJLRHSYABVOU-AAEUAGOBSA-N 1 2 374.300 2.330 20 10 FECDLO Nc1ccc(OCc2cn(Cc3[nH+]ccn3CC(F)(F)F)nn2)cc1 ZINC000881285733 687121929 /nfs/dbraw/zinc/12/19/29/687121929.db2.gz OKKZONWDGAJQRT-UHFFFAOYSA-N 1 2 352.320 2.246 20 10 FECDLO C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)CN1CCOCC1 ZINC000883015833 687546874 /nfs/dbraw/zinc/54/68/74/687546874.db2.gz FOWRYOSHXPGPIJ-NSHDSACASA-N 1 2 361.255 2.352 20 10 FECDLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883192448 687585700 /nfs/dbraw/zinc/58/57/00/687585700.db2.gz ZOUWZNREYBLREN-ZETCQYMHSA-N 1 2 351.628 2.306 20 10 FECDLO COc1ccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)c(O)c1OC ZINC000893669368 689383691 /nfs/dbraw/zinc/38/36/91/689383691.db2.gz XEENGLBNYLATSJ-UHFFFAOYSA-N 1 2 351.447 2.035 20 10 FECDLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]2C1 ZINC000895574954 689737828 /nfs/dbraw/zinc/73/78/28/689737828.db2.gz BFGWZXNTFUDUQT-TXEJJXNPSA-N 1 2 357.223 2.204 20 10 FECDLO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]2C1 ZINC000895574954 689737830 /nfs/dbraw/zinc/73/78/30/689737830.db2.gz BFGWZXNTFUDUQT-TXEJJXNPSA-N 1 2 357.223 2.204 20 10 FECDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000800534399 674060678 /nfs/dbraw/zinc/06/06/78/674060678.db2.gz NHGKEHCZONCVEY-MRXNPFEDSA-N 1 2 370.490 2.061 20 10 FECDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000800534399 674060680 /nfs/dbraw/zinc/06/06/80/674060680.db2.gz NHGKEHCZONCVEY-MRXNPFEDSA-N 1 2 370.490 2.061 20 10 FECDLO O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000054284487 540581122 /nfs/dbraw/zinc/58/11/22/540581122.db2.gz LBZDJERZVGNUJH-UHFFFAOYSA-N 1 2 363.421 2.034 20 10 FECDLO CCN(CCC[NH2+]Cc1cc(Cl)cc(Cl)c1O)S(C)(=O)=O ZINC000038035412 211360278 /nfs/dbraw/zinc/36/02/78/211360278.db2.gz HMOXBDNXVQJIJQ-UHFFFAOYSA-N 1 2 355.287 2.460 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)c1O ZINC000079399839 542515677 /nfs/dbraw/zinc/51/56/77/542515677.db2.gz WNMINJJOCWZPTK-UHFFFAOYSA-N 1 2 371.412 2.477 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)c1O ZINC000079399839 542515679 /nfs/dbraw/zinc/51/56/79/542515679.db2.gz WNMINJJOCWZPTK-UHFFFAOYSA-N 1 2 371.412 2.477 20 10 FECDLO C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)Cn1cc[nH+]c1 ZINC000081798576 542676839 /nfs/dbraw/zinc/67/68/39/542676839.db2.gz HPSWBCCNZFLXSL-BBOMDTFKSA-N 1 2 354.454 2.185 20 10 FECDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180784336 547179310 /nfs/dbraw/zinc/17/93/10/547179310.db2.gz HVYXGIPZTIUULT-ZKKXHLJNSA-N 1 2 353.422 2.411 20 10 FECDLO CCc1nc(CN2CC[NH+](Cc3cc(Cl)cc(OC)c3O)CC2)no1 ZINC000184691506 547866029 /nfs/dbraw/zinc/86/60/29/547866029.db2.gz JJKMYCSRQFEITI-UHFFFAOYSA-N 1 2 366.849 2.317 20 10 FECDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000265407479 550009328 /nfs/dbraw/zinc/00/93/28/550009328.db2.gz CLHITPMKURRART-QGZVFWFLSA-N 1 2 362.518 2.393 20 10 FECDLO C[C@@H]([NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(F)c(F)c1O ZINC000278975752 550842334 /nfs/dbraw/zinc/84/23/34/550842334.db2.gz OCOPIHQENDCCSR-NEPJUHHUSA-N 1 2 364.396 2.084 20 10 FECDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000279522831 550899339 /nfs/dbraw/zinc/89/93/39/550899339.db2.gz PRWOQHKGZWPUKH-KRWDZBQOSA-N 1 2 360.502 2.149 20 10 FECDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC000286078688 551846180 /nfs/dbraw/zinc/84/61/80/551846180.db2.gz KAJNGLXFSVHQEB-UHFFFAOYSA-N 1 2 361.829 2.383 20 10 FECDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC000286078688 551846181 /nfs/dbraw/zinc/84/61/81/551846181.db2.gz KAJNGLXFSVHQEB-UHFFFAOYSA-N 1 2 361.829 2.383 20 10 FECDLO C[N@@H+](CCC(N)=O)Cc1cc(Br)cc(Br)c1O ZINC000289932823 552401838 /nfs/dbraw/zinc/40/18/38/552401838.db2.gz XZPASWIEMRXTLS-UHFFFAOYSA-N 1 2 366.053 2.224 20 10 FECDLO C[N@H+](CCC(N)=O)Cc1cc(Br)cc(Br)c1O ZINC000289932823 552401836 /nfs/dbraw/zinc/40/18/36/552401836.db2.gz XZPASWIEMRXTLS-UHFFFAOYSA-N 1 2 366.053 2.224 20 10 FECDLO O=C(NCc1ccccc1O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000299485216 553569920 /nfs/dbraw/zinc/56/99/20/553569920.db2.gz HYISYCMGJSXABQ-SFHVURJKSA-N 1 2 355.438 2.265 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnc(C)s3)CC2)cc1 ZINC000299698669 553602164 /nfs/dbraw/zinc/60/21/64/553602164.db2.gz PROSHIXGVHJPTE-UHFFFAOYSA-N 1 2 360.483 2.012 20 10 FECDLO COC(=O)CCCNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000362948540 555001828 /nfs/dbraw/zinc/00/18/28/555001828.db2.gz STQINZIKTGMMRH-UHFFFAOYSA-N 1 2 363.458 2.259 20 10 FECDLO O=C(CSc1nccs1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363215067 555055678 /nfs/dbraw/zinc/05/56/78/555055678.db2.gz LJTQQCDDHHDLBA-HNNXBMFYSA-N 1 2 363.508 2.252 20 10 FECDLO O=C(CSc1nccs1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363215067 555055679 /nfs/dbraw/zinc/05/56/79/555055679.db2.gz LJTQQCDDHHDLBA-HNNXBMFYSA-N 1 2 363.508 2.252 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1O ZINC000365885225 555692304 /nfs/dbraw/zinc/69/23/04/555692304.db2.gz LUBANCSNUCXVPA-CQSZACIVSA-N 1 2 351.834 2.238 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1O ZINC000365885225 555692308 /nfs/dbraw/zinc/69/23/08/555692308.db2.gz LUBANCSNUCXVPA-CQSZACIVSA-N 1 2 351.834 2.238 20 10 FECDLO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3O)C2=O)n1 ZINC000368621894 556366037 /nfs/dbraw/zinc/36/60/37/556366037.db2.gz BGLISPFBJIHWMM-MRXNPFEDSA-N 1 2 360.845 2.425 20 10 FECDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)CC2 ZINC000371867051 557315112 /nfs/dbraw/zinc/31/51/12/557315112.db2.gz VTLIJVSDIHJVTL-UHFFFAOYSA-N 1 2 361.829 2.383 20 10 FECDLO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)CC2 ZINC000371867051 557315115 /nfs/dbraw/zinc/31/51/15/557315115.db2.gz VTLIJVSDIHJVTL-UHFFFAOYSA-N 1 2 361.829 2.383 20 10 FECDLO COc1ccc(O)c([C@H](C)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c1 ZINC000372512626 557489547 /nfs/dbraw/zinc/48/95/47/557489547.db2.gz IUTUEWBPBVVGBB-HNNXBMFYSA-N 1 2 361.486 2.268 20 10 FECDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000374896072 557947334 /nfs/dbraw/zinc/94/73/34/557947334.db2.gz KMPNVFULJMETIK-QWHCGFSZSA-N 1 2 358.232 2.307 20 10 FECDLO COc1c(O)c(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000375716519 558072224 /nfs/dbraw/zinc/07/22/24/558072224.db2.gz CGFMLNWKVYPISS-NWANDNLSSA-N 1 2 352.387 2.077 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000375716519 558072225 /nfs/dbraw/zinc/07/22/25/558072225.db2.gz CGFMLNWKVYPISS-NWANDNLSSA-N 1 2 352.387 2.077 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)NC3CCCC3)CC2)cc1 ZINC000377904482 558444857 /nfs/dbraw/zinc/44/48/57/558444857.db2.gz HHHSOJCKNAEQGN-UHFFFAOYSA-N 1 2 367.515 2.373 20 10 FECDLO O=C([C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O)N1CCOCC1 ZINC000816502840 675060515 /nfs/dbraw/zinc/06/05/15/675060515.db2.gz SGMVKQQONNLEQG-HNNXBMFYSA-N 1 2 356.825 2.398 20 10 FECDLO O=C([C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O)N1CCOCC1 ZINC000816502840 675060519 /nfs/dbraw/zinc/06/05/19/675060519.db2.gz SGMVKQQONNLEQG-HNNXBMFYSA-N 1 2 356.825 2.398 20 10 FECDLO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816535200 675063592 /nfs/dbraw/zinc/06/35/92/675063592.db2.gz JDYAXYCDVYTVOS-UHFFFAOYSA-N 1 2 364.870 2.479 20 10 FECDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000129234779 672059234 /nfs/dbraw/zinc/05/92/34/672059234.db2.gz FMRSWTQHWCEIKQ-UHFFFAOYSA-N 1 2 353.894 2.422 20 10 FECDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000129234779 672059236 /nfs/dbraw/zinc/05/92/36/672059236.db2.gz FMRSWTQHWCEIKQ-UHFFFAOYSA-N 1 2 353.894 2.422 20 10 FECDLO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708111242 673064185 /nfs/dbraw/zinc/06/41/85/673064185.db2.gz NRWJDDZNWWDLQT-SDBXPKJASA-N 1 2 350.640 2.438 20 10 FECDLO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715813083 673073519 /nfs/dbraw/zinc/07/35/19/673073519.db2.gz LNPRRRIOFLQYLV-LLVKDONJSA-N 1 2 366.252 2.351 20 10 FECDLO O=C(COC(=O)C1=CC(=O)CS1)N1CC[NH+](Cc2cccs2)CC1 ZINC000732354244 673365153 /nfs/dbraw/zinc/36/51/53/673365153.db2.gz HWYWOCGCIKWTDZ-UHFFFAOYSA-N 1 2 366.464 2.016 20 10 FECDLO Cn1cc(I)c(C[NH2+]Cc2cc(F)ccc2O)n1 ZINC000825078781 675635746 /nfs/dbraw/zinc/63/57/46/675635746.db2.gz DGGMYEROMFTWTP-UHFFFAOYSA-N 1 2 361.158 2.159 20 10 FECDLO Cc1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)ccc1N1CCCCC1 ZINC000828338387 675813970 /nfs/dbraw/zinc/81/39/70/675813970.db2.gz MFVWUNZYAMPSMM-RUZDIDTESA-N 1 2 363.571 2.481 20 10 FECDLO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(F)cc(F)c1O ZINC000756397706 680476210 /nfs/dbraw/zinc/47/62/10/680476210.db2.gz TTZSVQKYQHCMAB-JTQLQIEISA-N 1 2 356.394 2.211 20 10 FECDLO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756442555 680479163 /nfs/dbraw/zinc/47/91/63/680479163.db2.gz DXYBVKIGWQXPSF-LBPRGKRZSA-N 1 2 370.421 2.441 20 10 FECDLO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Br)cc(F)c1O ZINC000756568134 680486096 /nfs/dbraw/zinc/48/60/96/680486096.db2.gz BTBMGENAGWPAHB-ZYHUDNBSSA-N 1 2 360.271 2.190 20 10 FECDLO O=C(NCc1cccc(Br)c1O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844136434 681040732 /nfs/dbraw/zinc/04/07/32/681040732.db2.gz GRYIPSDXWCGVGA-NSHDSACASA-N 1 2 350.216 2.230 20 10 FECDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C(=O)N1c1cnn(C)c1 ZINC000776224572 681374655 /nfs/dbraw/zinc/37/46/55/681374655.db2.gz UHEVORMSEJEIQE-YMTOWFKASA-N 1 2 352.797 2.202 20 10 FECDLO O=c1[nH]c(C[NH2+]Cc2c(O)cccc2Br)nc2c1COCC2 ZINC000865866368 684038447 /nfs/dbraw/zinc/03/84/47/684038447.db2.gz LFHOHTUWRXHYQC-UHFFFAOYSA-N 1 2 366.215 2.013 20 10 FECDLO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000866578061 684122034 /nfs/dbraw/zinc/12/20/34/684122034.db2.gz IJGLSOJDUNLGGP-NSHDSACASA-N 1 2 370.421 2.472 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877793011 686463659 /nfs/dbraw/zinc/46/36/59/686463659.db2.gz LSVHQCLAHSJKFO-DGCLKSJQSA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877793011 686463662 /nfs/dbraw/zinc/46/36/62/686463662.db2.gz LSVHQCLAHSJKFO-DGCLKSJQSA-N 1 2 374.300 2.330 20 10 FECDLO C[C@]12C[N@H+](Cc3cc(Br)ccc3O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877814673 686469963 /nfs/dbraw/zinc/46/99/63/686469963.db2.gz ANTTVZLFULVMPH-GASCZTMLSA-N 1 2 374.300 2.411 20 10 FECDLO C[C@]12C[N@@H+](Cc3cc(Br)ccc3O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877814673 686469966 /nfs/dbraw/zinc/46/99/66/686469966.db2.gz ANTTVZLFULVMPH-GASCZTMLSA-N 1 2 374.300 2.411 20 10 FECDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1(S(C)(=O)=O)CC1 ZINC000883118311 687570128 /nfs/dbraw/zinc/57/01/28/687570128.db2.gz SOLRHOSGZJCFBE-MRVPVSSYSA-N 1 2 366.252 2.349 20 10 FECDLO CC[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cccc(Cl)c1O ZINC000886698877 688292886 /nfs/dbraw/zinc/29/28/86/688292886.db2.gz OSLOXKIBSLOWTF-CYBMUJFWSA-N 1 2 361.833 2.070 20 10 FECDLO COC(=O)[C@H]1[C@H](C[NH2+]Cc2cccc(Br)c2O)C1(F)F ZINC000894571209 689557339 /nfs/dbraw/zinc/55/73/39/689557339.db2.gz NUABEJRIRMHDFX-WCBMZHEXSA-N 1 2 350.159 2.299 20 10 FECDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895332500 689697846 /nfs/dbraw/zinc/69/78/46/689697846.db2.gz KOSBMXWRDYWADH-GFCCVEGCSA-N 1 2 374.254 2.482 20 10 FECDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895332500 689697848 /nfs/dbraw/zinc/69/78/48/689697848.db2.gz KOSBMXWRDYWADH-GFCCVEGCSA-N 1 2 374.254 2.482 20 10 FECDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000827544833 675764014 /nfs/dbraw/zinc/76/40/14/675764014.db2.gz LQGVPOCEAFJJAK-GFCCVEGCSA-N 1 2 356.264 2.342 20 10 FECDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000827544833 675764011 /nfs/dbraw/zinc/76/40/11/675764011.db2.gz LQGVPOCEAFJJAK-GFCCVEGCSA-N 1 2 356.264 2.342 20 10 FECDLO CCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000801584200 674138522 /nfs/dbraw/zinc/13/85/22/674138522.db2.gz DAYGUPVJZWTBGI-AWEZNQCLSA-N 1 2 352.818 2.218 20 10 FECDLO CCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000801584200 674138524 /nfs/dbraw/zinc/13/85/24/674138524.db2.gz DAYGUPVJZWTBGI-AWEZNQCLSA-N 1 2 352.818 2.218 20 10 FECDLO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1[O-] ZINC000093664313 542937126 /nfs/dbraw/zinc/93/71/26/542937126.db2.gz KNKVAQWWPUCEOP-LBPRGKRZSA-N 1 2 355.822 2.108 20 10 FECDLO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1[O-] ZINC000093664313 542937129 /nfs/dbraw/zinc/93/71/29/542937129.db2.gz KNKVAQWWPUCEOP-LBPRGKRZSA-N 1 2 355.822 2.108 20 10 FECDLO COC(=O)C[N@H+](CCn1c(C)csc1=O)Cc1cc(Cl)ccc1O ZINC000109779789 543338396 /nfs/dbraw/zinc/33/83/96/543338396.db2.gz POCAYKRCWNZZJH-UHFFFAOYSA-N 1 2 370.858 2.252 20 10 FECDLO COC(=O)C[N@@H+](CCn1c(C)csc1=O)Cc1cc(Cl)ccc1O ZINC000109779789 543338397 /nfs/dbraw/zinc/33/83/97/543338397.db2.gz POCAYKRCWNZZJH-UHFFFAOYSA-N 1 2 370.858 2.252 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1O ZINC000177153726 546556882 /nfs/dbraw/zinc/55/68/82/546556882.db2.gz UJNDMXMMIHOZKE-AWEZNQCLSA-N 1 2 357.859 2.400 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1O ZINC000177153726 546556887 /nfs/dbraw/zinc/55/68/87/546556887.db2.gz UJNDMXMMIHOZKE-AWEZNQCLSA-N 1 2 357.859 2.400 20 10 FECDLO O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1O)NCc1ccccc1 ZINC000181152918 547259819 /nfs/dbraw/zinc/25/98/19/547259819.db2.gz NATLJVVFYBGNKV-UHFFFAOYSA-N 1 2 354.859 2.255 20 10 FECDLO COCCn1c(C)c(C)c2cc(C(=O)N(C)CC[NH+]3CCOCC3)ccc21 ZINC000486496114 561348951 /nfs/dbraw/zinc/34/89/51/561348951.db2.gz IDAPKKJWBGRZTN-UHFFFAOYSA-N 1 2 373.497 2.309 20 10 FECDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000276669892 550583575 /nfs/dbraw/zinc/58/35/75/550583575.db2.gz URIGQCQMRAOTAG-FUHWJXTLSA-N 1 2 357.406 2.079 20 10 FECDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000276669892 550583576 /nfs/dbraw/zinc/58/35/76/550583576.db2.gz URIGQCQMRAOTAG-FUHWJXTLSA-N 1 2 357.406 2.079 20 10 FECDLO C[C@H]([NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(F)c(F)c1O ZINC000278975754 550842147 /nfs/dbraw/zinc/84/21/47/550842147.db2.gz OCOPIHQENDCCSR-NWDGAFQWSA-N 1 2 364.396 2.084 20 10 FECDLO CN(C)c1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000279664900 550914264 /nfs/dbraw/zinc/91/42/64/550914264.db2.gz ODAFHFCAMKFSJU-ZDUSSCGKSA-N 1 2 350.406 2.390 20 10 FECDLO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000279664900 550914265 /nfs/dbraw/zinc/91/42/65/550914265.db2.gz ODAFHFCAMKFSJU-ZDUSSCGKSA-N 1 2 350.406 2.390 20 10 FECDLO O=S(=O)(C1CC[NH+](Cc2cccc(Cl)c2O)CC1)N1CCCC1 ZINC000282422899 551226795 /nfs/dbraw/zinc/22/67/95/551226795.db2.gz DWHKUSMXBFXMNW-UHFFFAOYSA-N 1 2 358.891 2.436 20 10 FECDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)O1 ZINC000282484928 551235748 /nfs/dbraw/zinc/23/57/48/551235748.db2.gz PEIBIKSWUUJZQN-JXKQKZCASA-N 1 2 365.401 2.417 20 10 FECDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)O1 ZINC000282484928 551235750 /nfs/dbraw/zinc/23/57/50/551235750.db2.gz PEIBIKSWUUJZQN-JXKQKZCASA-N 1 2 365.401 2.417 20 10 FECDLO CN(C)c1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000282665205 551257222 /nfs/dbraw/zinc/25/72/22/551257222.db2.gz HBORUVLPQLABNF-ZDUSSCGKSA-N 1 2 350.406 2.390 20 10 FECDLO CN(C)c1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000282665205 551257224 /nfs/dbraw/zinc/25/72/24/551257224.db2.gz HBORUVLPQLABNF-ZDUSSCGKSA-N 1 2 350.406 2.390 20 10 FECDLO COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)nn1 ZINC000284302767 551519028 /nfs/dbraw/zinc/51/90/28/551519028.db2.gz IWXXFEJRRQWUBH-QMMMGPOBSA-N 1 2 359.213 2.428 20 10 FECDLO CCn1nccc1CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000284477170 551557767 /nfs/dbraw/zinc/55/77/67/551557767.db2.gz SXMMYAMVXXPDGM-UHFFFAOYSA-N 1 2 351.834 2.480 20 10 FECDLO CCn1nccc1CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000284477170 551557768 /nfs/dbraw/zinc/55/77/68/551557768.db2.gz SXMMYAMVXXPDGM-UHFFFAOYSA-N 1 2 351.834 2.480 20 10 FECDLO CCN(CC)c1ccc(C[N@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000290620457 552508048 /nfs/dbraw/zinc/50/80/48/552508048.db2.gz XEBHMWRCPHVORN-SFHVURJKSA-N 1 2 354.516 2.168 20 10 FECDLO CCN(CC)c1ccc(C[N@@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000290620457 552508050 /nfs/dbraw/zinc/50/80/50/552508050.db2.gz XEBHMWRCPHVORN-SFHVURJKSA-N 1 2 354.516 2.168 20 10 FECDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000294889570 552941738 /nfs/dbraw/zinc/94/17/38/552941738.db2.gz WIEYCIPIRQHELC-QHCPKHFHSA-N 1 2 359.875 2.322 20 10 FECDLO COC1CCN(c2ccc(C[N@H+](CCS(C)(=O)=O)C3CC3)cc2)CC1 ZINC000294946868 552946494 /nfs/dbraw/zinc/94/64/94/552946494.db2.gz LTRGIWBMFOXZGV-UHFFFAOYSA-N 1 2 366.527 2.311 20 10 FECDLO COC1CCN(c2ccc(C[N@@H+](CCS(C)(=O)=O)C3CC3)cc2)CC1 ZINC000294946868 552946496 /nfs/dbraw/zinc/94/64/96/552946496.db2.gz LTRGIWBMFOXZGV-UHFFFAOYSA-N 1 2 366.527 2.311 20 10 FECDLO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298742876 553467184 /nfs/dbraw/zinc/46/71/84/553467184.db2.gz PMTPVSLYSBYJBC-MRXNPFEDSA-N 1 2 370.453 2.260 20 10 FECDLO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000365716078 555648951 /nfs/dbraw/zinc/64/89/51/555648951.db2.gz CUAMOBWSWKWICT-ZDUSSCGKSA-N 1 2 371.396 2.403 20 10 FECDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000367861142 556157695 /nfs/dbraw/zinc/15/76/95/556157695.db2.gz YBIHYYIUFMWPTB-HZPDHXFCSA-N 1 2 370.453 2.363 20 10 FECDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000367861142 556157696 /nfs/dbraw/zinc/15/76/96/556157696.db2.gz YBIHYYIUFMWPTB-HZPDHXFCSA-N 1 2 370.453 2.363 20 10 FECDLO O=C([C@H]1CCc2[nH+]ccn2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000368421242 556304202 /nfs/dbraw/zinc/30/42/02/556304202.db2.gz CEBGIURPCWRPJA-DLBZAZTESA-N 1 2 355.438 2.359 20 10 FECDLO O=C(c1cccc(O)c1O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000373510792 557708254 /nfs/dbraw/zinc/70/82/54/557708254.db2.gz WTPKBYABRUCTLQ-UHFFFAOYSA-N 1 2 367.327 2.474 20 10 FECDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000376239810 558146206 /nfs/dbraw/zinc/14/62/06/558146206.db2.gz LNWFBCNIRCJNLM-PXPSOEEZSA-N 1 2 366.465 2.112 20 10 FECDLO O=C(CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCCCC1 ZINC000121849509 671958503 /nfs/dbraw/zinc/95/85/03/671958503.db2.gz UQZNMQOKSQJPDE-UHFFFAOYSA-N 1 2 351.878 2.176 20 10 FECDLO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708111240 673064384 /nfs/dbraw/zinc/06/43/84/673064384.db2.gz NRWJDDZNWWDLQT-ISVAXAHUSA-N 1 2 350.640 2.438 20 10 FECDLO COCC(COC)[NH+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000839622034 680767448 /nfs/dbraw/zinc/76/74/48/680767448.db2.gz NRAULVBSXXLLKX-UHFFFAOYSA-N 1 2 370.877 2.027 20 10 FECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)c1 ZINC000840867509 680847966 /nfs/dbraw/zinc/84/79/66/680847966.db2.gz QOISVXLEZITYFJ-GFCCVEGCSA-N 1 2 363.435 2.433 20 10 FECDLO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]2COC[C@H]2O1 ZINC000846117724 681184752 /nfs/dbraw/zinc/18/47/52/681184752.db2.gz GDWICWIQVDFMHQ-QZTJIDSGSA-N 1 2 350.434 2.041 20 10 FECDLO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]2COC[C@H]2O1 ZINC000846117724 681184756 /nfs/dbraw/zinc/18/47/56/681184756.db2.gz GDWICWIQVDFMHQ-QZTJIDSGSA-N 1 2 350.434 2.041 20 10 FECDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1NC(=O)C(F)(F)F ZINC000853622305 682446974 /nfs/dbraw/zinc/44/69/74/682446974.db2.gz WHEIEACLMRTJDK-KOLCDFICSA-N 1 2 360.332 2.010 20 10 FECDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1NC(=O)C(F)(F)F ZINC000853622305 682446976 /nfs/dbraw/zinc/44/69/76/682446976.db2.gz WHEIEACLMRTJDK-KOLCDFICSA-N 1 2 360.332 2.010 20 10 FECDLO Oc1ccc(Cl)c(F)c1CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000790977506 682717427 /nfs/dbraw/zinc/71/74/27/682717427.db2.gz ZWVWNRWJQUUSTP-UHFFFAOYSA-N 1 2 354.813 2.326 20 10 FECDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCSc1nccs1 ZINC000921447431 683471553 /nfs/dbraw/zinc/47/15/53/683471553.db2.gz ILEPANQHDOMNRS-ZDUSSCGKSA-N 1 2 358.533 2.035 20 10 FECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)C1CCOCC1 ZINC000876716046 686252017 /nfs/dbraw/zinc/25/20/17/686252017.db2.gz VWYIJNVBQJDISC-KRWDZBQOSA-N 1 2 371.861 2.462 20 10 FECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)C1CCOCC1 ZINC000876716046 686252018 /nfs/dbraw/zinc/25/20/18/686252018.db2.gz VWYIJNVBQJDISC-KRWDZBQOSA-N 1 2 371.861 2.462 20 10 FECDLO CC1CCN(c2ccc(CNS(=O)(=O)CCn3cc[nH+]c3)cc2)CC1 ZINC000881871239 687241176 /nfs/dbraw/zinc/24/11/76/687241176.db2.gz LLTVJPFQZOJXIW-UHFFFAOYSA-N 1 2 362.499 2.239 20 10 FECDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000108708841 543299997 /nfs/dbraw/zinc/29/99/97/543299997.db2.gz DADXERSUPDBFFU-CHHNCHTKSA-N 1 2 366.465 2.173 20 10 FECDLO CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000128626827 544063896 /nfs/dbraw/zinc/06/38/96/544063896.db2.gz SDEVQXLIVMYVOH-OAHLLOKOSA-N 1 2 357.433 2.365 20 10 FECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnns1 ZINC000134264528 544301230 /nfs/dbraw/zinc/30/12/30/544301230.db2.gz PCJIUWYCOWQRQA-GFCCVEGCSA-N 1 2 352.847 2.292 20 10 FECDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnns1 ZINC000134264528 544301232 /nfs/dbraw/zinc/30/12/32/544301232.db2.gz PCJIUWYCOWQRQA-GFCCVEGCSA-N 1 2 352.847 2.292 20 10 FECDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179659086 546992553 /nfs/dbraw/zinc/99/25/53/546992553.db2.gz UOUXJPITJNEWPI-UHFFFAOYSA-N 1 2 358.833 2.045 20 10 FECDLO O=C(CN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1)N1CCCC1 ZINC000179676480 546996297 /nfs/dbraw/zinc/99/62/97/546996297.db2.gz ZKNCZVCVPZRNCP-UHFFFAOYSA-N 1 2 351.878 2.176 20 10 FECDLO O=C(CN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1)N1CCCC1 ZINC000179676480 546996300 /nfs/dbraw/zinc/99/63/00/546996300.db2.gz ZKNCZVCVPZRNCP-UHFFFAOYSA-N 1 2 351.878 2.176 20 10 FECDLO O=C(C[N@H+]1CCCN(Cc2cccc(Cl)c2O)CC1)N1CCCC1 ZINC000179676480 546996301 /nfs/dbraw/zinc/99/63/01/546996301.db2.gz ZKNCZVCVPZRNCP-UHFFFAOYSA-N 1 2 351.878 2.176 20 10 FECDLO O=C(C[N@@H+]1CCCN(Cc2cccc(Cl)c2O)CC1)N1CCCC1 ZINC000179676480 546996305 /nfs/dbraw/zinc/99/63/05/546996305.db2.gz ZKNCZVCVPZRNCP-UHFFFAOYSA-N 1 2 351.878 2.176 20 10 FECDLO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(F)c(F)c1O ZINC000187668053 548261564 /nfs/dbraw/zinc/26/15/64/548261564.db2.gz YNKZQMJEGGYJFK-GFCCVEGCSA-N 1 2 370.421 2.441 20 10 FECDLO CCCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000272524277 550455820 /nfs/dbraw/zinc/45/58/20/550455820.db2.gz LSAGRGFUGPDEOH-CZUORRHYSA-N 1 2 365.426 2.108 20 10 FECDLO CCCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000272524277 550455821 /nfs/dbraw/zinc/45/58/21/550455821.db2.gz LSAGRGFUGPDEOH-CZUORRHYSA-N 1 2 365.426 2.108 20 10 FECDLO C[C@H]1CN(c2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)c[nH+]2)CCO1 ZINC000272551692 550457552 /nfs/dbraw/zinc/45/75/52/550457552.db2.gz YZYRUUOTUNUKIF-GBXSZLQWSA-N 1 2 369.421 2.048 20 10 FECDLO CN(C)c1ccc(CN(C(=O)NCC2([NH+]3CCOCC3)CC2)C2CC2)cc1 ZINC000277701131 550703544 /nfs/dbraw/zinc/70/35/44/550703544.db2.gz WIYZMWCGEQTVNS-UHFFFAOYSA-N 1 2 372.513 2.291 20 10 FECDLO Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(O)c1O ZINC000280589381 551010786 /nfs/dbraw/zinc/01/07/86/551010786.db2.gz BAVMJDUOJYULLG-MSOLQXFVSA-N 1 2 368.433 2.132 20 10 FECDLO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000285780419 551809634 /nfs/dbraw/zinc/80/96/34/551809634.db2.gz UPZIIMCMIQMTKO-HZMBPMFUSA-N 1 2 363.336 2.214 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccccc3O)c[nH+]2)CCO1 ZINC000299558779 553581264 /nfs/dbraw/zinc/58/12/64/553581264.db2.gz ZFAIXSWPRYQVAA-CQSZACIVSA-N 1 2 356.426 2.012 20 10 FECDLO C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1n1cc[nH+]c1 ZINC000301679316 553671327 /nfs/dbraw/zinc/67/13/27/553671327.db2.gz RZAZCWRSZXXSHG-XHDPSFHLSA-N 1 2 357.370 2.210 20 10 FECDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000362041218 554945970 /nfs/dbraw/zinc/94/59/70/554945970.db2.gz RIXXBJMUUBSTFU-CYBMUJFWSA-N 1 2 372.860 2.490 20 10 FECDLO COc1c(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)c(C)nn1C ZINC000362850289 554993234 /nfs/dbraw/zinc/99/32/34/554993234.db2.gz HXOPYECJFFINRI-UHFFFAOYSA-N 1 2 372.469 2.487 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791233 555934859 /nfs/dbraw/zinc/93/48/59/555934859.db2.gz CGSGBBDQLUSZIE-VBHSOAQHSA-N 1 2 366.414 2.467 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791233 555934863 /nfs/dbraw/zinc/93/48/63/555934863.db2.gz CGSGBBDQLUSZIE-VBHSOAQHSA-N 1 2 366.414 2.467 20 10 FECDLO CN(C)c1ccc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)cc1 ZINC000367016418 555997909 /nfs/dbraw/zinc/99/79/09/555997909.db2.gz QCSQZPAHMVCXQO-SFHVURJKSA-N 1 2 364.449 2.437 20 10 FECDLO CN(C)c1ccc(C[N@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)cc1 ZINC000367016418 555997912 /nfs/dbraw/zinc/99/79/12/555997912.db2.gz QCSQZPAHMVCXQO-SFHVURJKSA-N 1 2 364.449 2.437 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3c(C)nn(C)c3N)CC2)cc1 ZINC000367271170 556004736 /nfs/dbraw/zinc/00/47/36/556004736.db2.gz NSLYFSNBAOBQLO-UHFFFAOYSA-N 1 2 357.458 2.060 20 10 FECDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)no1 ZINC000372548919 557500930 /nfs/dbraw/zinc/50/09/30/557500930.db2.gz WGVKHJVPBVWJBQ-AWEZNQCLSA-N 1 2 374.441 2.224 20 10 FECDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)no1 ZINC000372548919 557500932 /nfs/dbraw/zinc/50/09/32/557500932.db2.gz WGVKHJVPBVWJBQ-AWEZNQCLSA-N 1 2 374.441 2.224 20 10 FECDLO CS(=O)(=O)N1CC[N@H+](Cc2cc(F)ccc2O)Cc2ccccc21 ZINC000374894085 557947066 /nfs/dbraw/zinc/94/70/66/557947066.db2.gz KGJFJCHJHFFMCY-UHFFFAOYSA-N 1 2 350.415 2.313 20 10 FECDLO CS(=O)(=O)N1CC[N@@H+](Cc2cc(F)ccc2O)Cc2ccccc21 ZINC000374894085 557947068 /nfs/dbraw/zinc/94/70/68/557947068.db2.gz KGJFJCHJHFFMCY-UHFFFAOYSA-N 1 2 350.415 2.313 20 10 FECDLO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cn1 ZINC000376551643 558189347 /nfs/dbraw/zinc/18/93/47/558189347.db2.gz KCCHZVPBLVTLIM-UHFFFAOYSA-N 1 2 358.442 2.223 20 10 FECDLO CC(C)n1cc(C[N@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cn1 ZINC000376551643 558189348 /nfs/dbraw/zinc/18/93/48/558189348.db2.gz KCCHZVPBLVTLIM-UHFFFAOYSA-N 1 2 358.442 2.223 20 10 FECDLO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816562088 675065536 /nfs/dbraw/zinc/06/55/36/675065536.db2.gz XXKWBLMHERYZTI-UHFFFAOYSA-N 1 2 358.822 2.164 20 10 FECDLO CN1C(=O)CC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C1=O ZINC000708056837 673064417 /nfs/dbraw/zinc/06/44/17/673064417.db2.gz QKQDAUQGRIWMQA-JTQLQIEISA-N 1 2 361.623 2.045 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)SC)CC2)cc1 ZINC000824279784 675593172 /nfs/dbraw/zinc/59/31/72/675593172.db2.gz BCCWTMDKLYSFBS-UHFFFAOYSA-N 1 2 351.516 2.075 20 10 FECDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3=CC(=O)CS3)C2)cc(OC)c1 ZINC000755863477 680440907 /nfs/dbraw/zinc/44/09/07/680440907.db2.gz AQNITYNPAFOUGR-ZDUSSCGKSA-N 1 2 362.451 2.475 20 10 FECDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)C3=CC(=O)CS3)C2)cc(OC)c1 ZINC000755863477 680440909 /nfs/dbraw/zinc/44/09/09/680440909.db2.gz AQNITYNPAFOUGR-ZDUSSCGKSA-N 1 2 362.451 2.475 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000756370089 680474968 /nfs/dbraw/zinc/47/49/68/680474968.db2.gz GHPAMRPWMXKKAP-DTWKUNHWSA-N 1 2 366.252 2.379 20 10 FECDLO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000756536974 680483541 /nfs/dbraw/zinc/48/35/41/680483541.db2.gz YBCKIGQQGJDJBN-MRVPVSSYSA-N 1 2 354.241 2.379 20 10 FECDLO C[C@@H]1CN(S(=O)(=O)c2cccc3nonc32)c2cc(F)ccc2C[NH2+]1 ZINC000842482353 680949979 /nfs/dbraw/zinc/94/99/79/680949979.db2.gz QYFAQHQXKNYUKS-SNVBAGLBSA-N 1 2 362.386 2.049 20 10 FECDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C(=O)N1c1cnn(C)c1 ZINC000776224567 681374449 /nfs/dbraw/zinc/37/44/49/681374449.db2.gz UHEVORMSEJEIQE-OTYXRUKQSA-N 1 2 352.797 2.202 20 10 FECDLO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Br)c(F)cc1O ZINC000790740291 682698410 /nfs/dbraw/zinc/69/84/10/682698410.db2.gz WTXTYBDXIFHGML-QMMMGPOBSA-N 1 2 371.210 2.266 20 10 FECDLO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1O ZINC000858434806 682968281 /nfs/dbraw/zinc/96/82/81/682968281.db2.gz PZVDPIIYRDDCCR-UFBFGSQYSA-N 1 2 358.211 2.412 20 10 FECDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000860196839 683214711 /nfs/dbraw/zinc/21/47/11/683214711.db2.gz KXIWBFJCZRQOSI-GFCCVEGCSA-N 1 2 374.890 2.009 20 10 FECDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000860196839 683214715 /nfs/dbraw/zinc/21/47/15/683214715.db2.gz KXIWBFJCZRQOSI-GFCCVEGCSA-N 1 2 374.890 2.009 20 10 FECDLO CN(C)c1cc(F)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1F ZINC000862392260 683583168 /nfs/dbraw/zinc/58/31/68/683583168.db2.gz IAXAYSSWNSTUSX-UHFFFAOYSA-N 1 2 373.469 2.031 20 10 FECDLO Oc1ccc(Br)cc1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000865686969 684014366 /nfs/dbraw/zinc/01/43/66/684014366.db2.gz LANFLQLLGPTMHS-UHFFFAOYSA-N 1 2 367.247 2.457 20 10 FECDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccc(Br)c3O)C2)C1 ZINC000877714701 686443473 /nfs/dbraw/zinc/44/34/73/686443473.db2.gz QFBMGKRPRXXFBL-HNNXBMFYSA-N 1 2 369.215 2.049 20 10 FECDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccc(Br)c3O)C2)C1 ZINC000877714701 686443478 /nfs/dbraw/zinc/44/34/78/686443478.db2.gz QFBMGKRPRXXFBL-HNNXBMFYSA-N 1 2 369.215 2.049 20 10 FECDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C1N=NC(=O)N1C ZINC000895172309 689671063 /nfs/dbraw/zinc/67/10/63/689671063.db2.gz SKOOBCWGIAUUIG-ZCFIWIBFSA-N 1 2 361.627 2.493 20 10 FECDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+](C)Cc3ccccc3O)n12 ZINC000109771976 543338787 /nfs/dbraw/zinc/33/87/87/543338787.db2.gz NNKZJNZCFUKLOE-UHFFFAOYSA-N 1 2 363.421 2.227 20 10 FECDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+](C)Cc3ccccc3O)n12 ZINC000109771976 543338790 /nfs/dbraw/zinc/33/87/90/543338790.db2.gz NNKZJNZCFUKLOE-UHFFFAOYSA-N 1 2 363.421 2.227 20 10 FECDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3cc(C)ccc3O)CC2)c1=N ZINC000128263830 544041871 /nfs/dbraw/zinc/04/18/71/544041871.db2.gz IRZXAVDQNJPFOX-UHFFFAOYSA-N 1 2 358.442 2.323 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000804735615 674299331 /nfs/dbraw/zinc/29/93/31/674299331.db2.gz BBJHTLXRFPHQQL-SNVBAGLBSA-N 1 2 350.216 2.230 20 10 FECDLO O=C1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)CCN1Cc1ccc(F)cc1 ZINC000191762649 548350243 /nfs/dbraw/zinc/35/02/43/548350243.db2.gz BQYPVQJSIRZAQE-MRXNPFEDSA-N 1 2 359.357 2.330 20 10 FECDLO CC[NH+]1CCN(c2ccc(CNc3ncnc4[nH]cnc43)cc2F)CC1 ZINC000264436989 549996032 /nfs/dbraw/zinc/99/60/32/549996032.db2.gz VXQMNQPFKXYHIQ-UHFFFAOYSA-N 1 2 355.421 2.246 20 10 FECDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000270456202 550274077 /nfs/dbraw/zinc/27/40/77/550274077.db2.gz KAFZDEFQLRKYPP-SFHVURJKSA-N 1 2 366.421 2.331 20 10 FECDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000270456202 550274078 /nfs/dbraw/zinc/27/40/78/550274078.db2.gz KAFZDEFQLRKYPP-SFHVURJKSA-N 1 2 366.421 2.331 20 10 FECDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000274923760 550565025 /nfs/dbraw/zinc/56/50/25/550565025.db2.gz LVVDVYABQXIQBN-HNNXBMFYSA-N 1 2 370.449 2.291 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)C=Cc3c[nH]c[nH+]3)cc2F)C[C@H](C)O1 ZINC000276602667 550579278 /nfs/dbraw/zinc/57/92/78/550579278.db2.gz OOJQBOVTOMKENZ-MRPPWBEGSA-N 1 2 358.417 2.492 20 10 FECDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286466156 551888734 /nfs/dbraw/zinc/88/87/34/551888734.db2.gz BHEFCTAKWKOJRW-FXAWDEMLSA-N 1 2 372.513 2.291 20 10 FECDLO C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000291014307 552576345 /nfs/dbraw/zinc/57/63/45/552576345.db2.gz ACBGROGGIFTCPY-CYBMUJFWSA-N 1 2 370.409 2.405 20 10 FECDLO C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000291014307 552576348 /nfs/dbraw/zinc/57/63/48/552576348.db2.gz ACBGROGGIFTCPY-CYBMUJFWSA-N 1 2 370.409 2.405 20 10 FECDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292788514 552758797 /nfs/dbraw/zinc/75/87/97/552758797.db2.gz MFBIIXPMTWCJOQ-LLVKDONJSA-N 1 2 353.271 2.165 20 10 FECDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292788514 552758798 /nfs/dbraw/zinc/75/87/98/552758798.db2.gz MFBIIXPMTWCJOQ-LLVKDONJSA-N 1 2 353.271 2.165 20 10 FECDLO COCCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000294951379 552946717 /nfs/dbraw/zinc/94/67/17/552946717.db2.gz QEERCAWBBAFJEP-GFCCVEGCSA-N 1 2 365.854 2.210 20 10 FECDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000296288302 553135501 /nfs/dbraw/zinc/13/55/01/553135501.db2.gz HQCPGOATTIJZRJ-LBPRGKRZSA-N 1 2 362.865 2.137 20 10 FECDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000296288302 553135503 /nfs/dbraw/zinc/13/55/03/553135503.db2.gz HQCPGOATTIJZRJ-LBPRGKRZSA-N 1 2 362.865 2.137 20 10 FECDLO COc1cccc(CNc2[nH+]cnc3c2c(Br)nn3C)c1O ZINC000301158975 553626979 /nfs/dbraw/zinc/62/69/79/553626979.db2.gz OJTMXIZFMLUIEV-UHFFFAOYSA-N 1 2 364.203 2.452 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)[C@@H]3CCCOC3)CC2)cc1 ZINC000363977348 555225796 /nfs/dbraw/zinc/22/57/96/555225796.db2.gz UDIOGOWLOHZRNU-GOSISDBHSA-N 1 2 368.499 2.105 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccn(C)c(=O)c3)CC2)cc1 ZINC000364059368 555242476 /nfs/dbraw/zinc/24/24/76/555242476.db2.gz ZTJXBNUBYYDKCA-UHFFFAOYSA-N 1 2 355.438 2.135 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000368023152 556197459 /nfs/dbraw/zinc/19/74/59/556197459.db2.gz SMCPQVBLAUSYKZ-DUXPYHPUSA-N 1 2 359.451 2.348 20 10 FECDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2Cc2cc(Br)ccc2O)n1 ZINC000369781961 556693429 /nfs/dbraw/zinc/69/34/29/556693429.db2.gz BGCLHESLJLDMBR-NWDGAFQWSA-N 1 2 368.231 2.408 20 10 FECDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2cc(Br)ccc2O)n1 ZINC000369781961 556693430 /nfs/dbraw/zinc/69/34/30/556693430.db2.gz BGCLHESLJLDMBR-NWDGAFQWSA-N 1 2 368.231 2.408 20 10 FECDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370542002 556903575 /nfs/dbraw/zinc/90/35/75/556903575.db2.gz MNGHIVPNXGEUNT-QGZVFWFLSA-N 1 2 354.454 2.325 20 10 FECDLO CN1CCc2cc(CNC(=O)N3CC[NH+](Cc4ccncc4)CC3)ccc21 ZINC000372452665 557474762 /nfs/dbraw/zinc/47/47/62/557474762.db2.gz CNUQCJDTMJODKH-UHFFFAOYSA-N 1 2 365.481 2.101 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2nccn2C)cc1 ZINC000372953689 557595600 /nfs/dbraw/zinc/59/56/00/557595600.db2.gz VAWXQSSZZVPWFX-GOSISDBHSA-N 1 2 355.486 2.282 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2nccn2C)cc1 ZINC000372953689 557595601 /nfs/dbraw/zinc/59/56/01/557595601.db2.gz VAWXQSSZZVPWFX-GOSISDBHSA-N 1 2 355.486 2.282 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000373049458 557616928 /nfs/dbraw/zinc/61/69/28/557616928.db2.gz NMHLMYQNKXBNKY-INIZCTEOSA-N 1 2 373.497 2.381 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@]3(C)CCC(=O)NC3)CC2)cc1 ZINC000373949719 557794473 /nfs/dbraw/zinc/79/44/73/557794473.db2.gz JIIVRAMXUIRVLT-FQEVSTJZSA-N 1 2 359.470 2.039 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1O ZINC000377697289 558399529 /nfs/dbraw/zinc/39/95/29/558399529.db2.gz OHIDLYUISPJFAH-GXFFZTMASA-N 1 2 360.273 2.082 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1O ZINC000377697289 558399527 /nfs/dbraw/zinc/39/95/27/558399527.db2.gz OHIDLYUISPJFAH-GXFFZTMASA-N 1 2 360.273 2.082 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)CC(C)(C)OC)CC2)cc1 ZINC000377927128 558449278 /nfs/dbraw/zinc/44/92/78/558449278.db2.gz YZELFJFMXQUORH-UHFFFAOYSA-N 1 2 370.515 2.351 20 10 FECDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1cc(F)ccc1O)CCO2 ZINC000816630035 675069651 /nfs/dbraw/zinc/06/96/51/675069651.db2.gz LXFVLSYQLWMEBI-UHFFFAOYSA-N 1 2 352.406 2.353 20 10 FECDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1cc(F)ccc1O)CCO2 ZINC000816630035 675069653 /nfs/dbraw/zinc/06/96/53/675069653.db2.gz LXFVLSYQLWMEBI-UHFFFAOYSA-N 1 2 352.406 2.353 20 10 FECDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000129243708 672059640 /nfs/dbraw/zinc/05/96/40/672059640.db2.gz QTSNMVMQXSXLNV-UHFFFAOYSA-N 1 2 353.894 2.422 20 10 FECDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000129243708 672059641 /nfs/dbraw/zinc/05/96/41/672059641.db2.gz QTSNMVMQXSXLNV-UHFFFAOYSA-N 1 2 353.894 2.422 20 10 FECDLO Cn1cc[nH+]c1N1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000827891281 675785699 /nfs/dbraw/zinc/78/56/99/675785699.db2.gz GCPJOLYZFRNFIW-UHFFFAOYSA-N 1 2 351.794 2.010 20 10 FECDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3nccn3C)CC2)c1O ZINC000761193542 680714380 /nfs/dbraw/zinc/71/43/80/680714380.db2.gz HMTYXTIPBXPURF-UHFFFAOYSA-N 1 2 350.850 2.106 20 10 FECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839165468 680742544 /nfs/dbraw/zinc/74/25/44/680742544.db2.gz OOMILULTGWBRJH-UHFFFAOYSA-N 1 2 358.841 2.156 20 10 FECDLO Cc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cn1 ZINC000764892034 680823568 /nfs/dbraw/zinc/82/35/68/680823568.db2.gz QUUFSFSMZHWPTH-PTNGSMBKSA-N 1 2 363.508 2.314 20 10 FECDLO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000756370088 680474891 /nfs/dbraw/zinc/47/48/91/680474891.db2.gz GHPAMRPWMXKKAP-BDAKNGLRSA-N 1 2 366.252 2.379 20 10 FECDLO COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@H](O)C(F)(F)F ZINC000847026688 681322379 /nfs/dbraw/zinc/32/23/79/681322379.db2.gz MWBCSTJSTBEUQJ-ZDUSSCGKSA-N 1 2 353.312 2.106 20 10 FECDLO COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@H](O)C(F)(F)F ZINC000847026688 681322382 /nfs/dbraw/zinc/32/23/82/681322382.db2.gz MWBCSTJSTBEUQJ-ZDUSSCGKSA-N 1 2 353.312 2.106 20 10 FECDLO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000776336656 681383862 /nfs/dbraw/zinc/38/38/62/681383862.db2.gz VQMLNOPUHJZZGG-MRXNPFEDSA-N 1 2 356.495 2.315 20 10 FECDLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)cc(F)c1O ZINC000795843596 683097253 /nfs/dbraw/zinc/09/72/53/683097253.db2.gz GXNIOBHRNHTHPE-LURJTMIESA-N 1 2 355.154 2.326 20 10 FECDLO Cc1nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc(N)[nH+]1 ZINC000865500515 683990464 /nfs/dbraw/zinc/99/04/64/683990464.db2.gz BTIGIVATUVLLGY-UHFFFAOYSA-N 1 2 350.373 2.445 20 10 FECDLO Cc1nc(N)nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH+]1 ZINC000865500515 683990468 /nfs/dbraw/zinc/99/04/68/683990468.db2.gz BTIGIVATUVLLGY-UHFFFAOYSA-N 1 2 350.373 2.445 20 10 FECDLO OC1CCN(c2ccc(C[NH2+]Cc3n[nH]cc3Br)cc2)CC1 ZINC000877057364 686320100 /nfs/dbraw/zinc/32/01/00/686320100.db2.gz BIYCIXWYYIVTMT-UHFFFAOYSA-N 1 2 365.275 2.423 20 10 FECDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C2)C1 ZINC000879484052 686833121 /nfs/dbraw/zinc/83/31/21/686833121.db2.gz RAFSNPRFCDSADA-KRWDZBQOSA-N 1 2 366.801 2.142 20 10 FECDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C2)C1 ZINC000879484052 686833125 /nfs/dbraw/zinc/83/31/25/686833125.db2.gz RAFSNPRFCDSADA-KRWDZBQOSA-N 1 2 366.801 2.142 20 10 FECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCc1nnc2n1CCC2 ZINC000882886425 687523012 /nfs/dbraw/zinc/52/30/12/687523012.db2.gz SUQHBMSJISTYGV-UHFFFAOYSA-N 1 2 355.211 2.164 20 10 FECDLO CC(C)COC[C@@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882917675 687527559 /nfs/dbraw/zinc/52/75/59/687527559.db2.gz SALHWWTTYNZIDK-LBPRGKRZSA-N 1 2 350.228 2.417 20 10 FECDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000883105114 687566205 /nfs/dbraw/zinc/56/62/05/687566205.db2.gz YFGVUIFLJRUZLG-UHFFFAOYSA-N 1 2 359.239 2.248 20 10 FECDLO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Cl)c(Cl)cc1O ZINC000883336908 687610194 /nfs/dbraw/zinc/61/01/94/687610194.db2.gz WFJHENMBQXRFRF-QMMMGPOBSA-N 1 2 368.224 2.291 20 10 FECDLO Oc1c(Br)cc(Cl)cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000895189837 689673864 /nfs/dbraw/zinc/67/38/64/689673864.db2.gz XJZPCHOYGKUTNM-NWDGAFQWSA-N 1 2 361.667 2.059 20 10 FECDLO Oc1c(Br)cc(Cl)cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000895189837 689673867 /nfs/dbraw/zinc/67/38/67/689673867.db2.gz XJZPCHOYGKUTNM-NWDGAFQWSA-N 1 2 361.667 2.059 20 10 FECDLO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000899970540 690454557 /nfs/dbraw/zinc/45/45/57/690454557.db2.gz VWRCYLGTFJZPIE-CYBMUJFWSA-N 1 2 362.451 2.249 20 10 FECDLO C/C(=C/C(=O)NCc1cccc(Br)c1O)C[NH+]1CCOCC1 ZINC000907758763 691554875 /nfs/dbraw/zinc/55/48/75/691554875.db2.gz UEZHIVAEYADVBB-XFXZXTDPSA-N 1 2 369.259 2.049 20 10 FECDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnns1 ZINC000134264503 544301334 /nfs/dbraw/zinc/30/13/34/544301334.db2.gz PCJIUWYCOWQRQA-LBPRGKRZSA-N 1 2 352.847 2.292 20 10 FECDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnns1 ZINC000134264503 544301335 /nfs/dbraw/zinc/30/13/35/544301335.db2.gz PCJIUWYCOWQRQA-LBPRGKRZSA-N 1 2 352.847 2.292 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000804736217 674299392 /nfs/dbraw/zinc/29/93/92/674299392.db2.gz NQRLIVSWYWWGMV-SNVBAGLBSA-N 1 2 350.216 2.230 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000180607433 547141791 /nfs/dbraw/zinc/14/17/91/547141791.db2.gz KCMOCFDTDABMRS-KOEDOTQGSA-N 1 2 368.433 2.301 20 10 FECDLO C[N@H+](Cc1nnc2n1CCCCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000265646351 550012759 /nfs/dbraw/zinc/01/27/59/550012759.db2.gz LZVFZBUEKIEJTI-UHFFFAOYSA-N 1 2 355.486 2.473 20 10 FECDLO C[N@@H+](Cc1nnc2n1CCCCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000265646351 550012762 /nfs/dbraw/zinc/01/27/62/550012762.db2.gz LZVFZBUEKIEJTI-UHFFFAOYSA-N 1 2 355.486 2.473 20 10 FECDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)[C@H](C(=O)OC)C1 ZINC000272536327 550456714 /nfs/dbraw/zinc/45/67/14/550456714.db2.gz OGAXXDNICMQTON-RISCZKNCSA-N 1 2 355.818 2.281 20 10 FECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)[C@H](C(=O)OC)C1 ZINC000272536327 550456716 /nfs/dbraw/zinc/45/67/16/550456716.db2.gz OGAXXDNICMQTON-RISCZKNCSA-N 1 2 355.818 2.281 20 10 FECDLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)c(F)c1O ZINC000276970292 550616876 /nfs/dbraw/zinc/61/68/76/550616876.db2.gz XSDLYSRZZASIQA-NSHDSACASA-N 1 2 371.405 2.287 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(c3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000278155493 550755096 /nfs/dbraw/zinc/75/50/96/550755096.db2.gz CVAMOMNUPGYBFL-UHFFFAOYSA-N 1 2 364.427 2.396 20 10 FECDLO COc1ccc(N2CC[NH+](CCS(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000279515494 550898832 /nfs/dbraw/zinc/89/88/32/550898832.db2.gz SCVNIUCSNRJAJI-UHFFFAOYSA-N 1 2 374.506 2.432 20 10 FECDLO NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000289690531 552362439 /nfs/dbraw/zinc/36/24/39/552362439.db2.gz FLXXPFOLOWNIOB-QGZVFWFLSA-N 1 2 359.857 2.390 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289970895 552407933 /nfs/dbraw/zinc/40/79/33/552407933.db2.gz RDUMXIHUYMSUNG-KRWDZBQOSA-N 1 2 361.877 2.166 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289970895 552407935 /nfs/dbraw/zinc/40/79/35/552407935.db2.gz RDUMXIHUYMSUNG-KRWDZBQOSA-N 1 2 361.877 2.166 20 10 FECDLO C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[NH+]1CCN(C)CC1 ZINC000299688496 553601629 /nfs/dbraw/zinc/60/16/29/553601629.db2.gz TWGWEPNRILREFK-SFHVURJKSA-N 1 2 358.530 2.271 20 10 FECDLO C[NH+]1CCN(C2(C(=O)NCc3c(O)ccc4c3CCCC4)CCCC2)CC1 ZINC000361974820 554941348 /nfs/dbraw/zinc/94/13/48/554941348.db2.gz QULDZERHODJMTG-UHFFFAOYSA-N 1 2 371.525 2.447 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCCNC(=O)C3CC3)CC2)cc1 ZINC000363201612 555052385 /nfs/dbraw/zinc/05/23/85/555052385.db2.gz FNGZFISXTOSWGC-UHFFFAOYSA-N 1 2 373.497 2.429 20 10 FECDLO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000367227304 556003649 /nfs/dbraw/zinc/00/36/49/556003649.db2.gz YNYVZTPRWKJVJV-MRXNPFEDSA-N 1 2 356.422 2.082 20 10 FECDLO CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000367227304 556003653 /nfs/dbraw/zinc/00/36/53/556003653.db2.gz YNYVZTPRWKJVJV-MRXNPFEDSA-N 1 2 356.422 2.082 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)c1O ZINC000370169472 556800376 /nfs/dbraw/zinc/80/03/76/556800376.db2.gz PWQYJRCPFWYKGP-UHFFFAOYSA-N 1 2 371.412 2.477 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)c1O ZINC000370169472 556800377 /nfs/dbraw/zinc/80/03/77/556800377.db2.gz PWQYJRCPFWYKGP-UHFFFAOYSA-N 1 2 371.412 2.477 20 10 FECDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C)c1O ZINC000371427825 557183967 /nfs/dbraw/zinc/18/39/67/557183967.db2.gz ZPWXVBWPTVCYJY-GOSISDBHSA-N 1 2 350.422 2.330 20 10 FECDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)c1O ZINC000371427825 557183975 /nfs/dbraw/zinc/18/39/75/557183975.db2.gz ZPWXVBWPTVCYJY-GOSISDBHSA-N 1 2 350.422 2.330 20 10 FECDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cccc(C)c1O ZINC000371427825 557183982 /nfs/dbraw/zinc/18/39/82/557183982.db2.gz ZPWXVBWPTVCYJY-GOSISDBHSA-N 1 2 350.422 2.330 20 10 FECDLO CN1CCc2cc(CNC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC000372465688 557478034 /nfs/dbraw/zinc/47/80/34/557478034.db2.gz NMRBXJDLFWYGPB-UHFFFAOYSA-N 1 2 351.454 2.106 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)[C@@H]3CCO[C@@H]3C)CC2)cc1 ZINC000372622735 557523646 /nfs/dbraw/zinc/52/36/46/557523646.db2.gz WSUWBEIYDGSKAO-RDTXWAMCSA-N 1 2 368.499 2.103 20 10 FECDLO CN(C)c1ccc(CNC(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000372994881 557605933 /nfs/dbraw/zinc/60/59/33/557605933.db2.gz GHIBBAJWTXSEJI-UHFFFAOYSA-N 1 2 355.486 2.034 20 10 FECDLO Cn1cc([C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2C(N)=O)cn1 ZINC000375518610 558041897 /nfs/dbraw/zinc/04/18/97/558041897.db2.gz JMVSDJLSMHQTEL-OLZOCXBDSA-N 1 2 369.252 2.133 20 10 FECDLO Cn1cc([C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2C(N)=O)cn1 ZINC000375518610 558041899 /nfs/dbraw/zinc/04/18/99/558041899.db2.gz JMVSDJLSMHQTEL-OLZOCXBDSA-N 1 2 369.252 2.133 20 10 FECDLO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)c1O ZINC000377676172 558394254 /nfs/dbraw/zinc/39/42/54/558394254.db2.gz PQRCORWMHKLVGR-HNNXBMFYSA-N 1 2 367.405 2.085 20 10 FECDLO COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)c1O ZINC000377676172 558394256 /nfs/dbraw/zinc/39/42/56/558394256.db2.gz PQRCORWMHKLVGR-HNNXBMFYSA-N 1 2 367.405 2.085 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000471829906 561012610 /nfs/dbraw/zinc/01/26/10/561012610.db2.gz GQWISKYIXPWJOS-CVEARBPZSA-N 1 2 358.486 2.395 20 10 FECDLO NC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000809728680 674507586 /nfs/dbraw/zinc/50/75/86/674507586.db2.gz FJPMBEHYNNMHQU-SFHVURJKSA-N 1 2 359.857 2.390 20 10 FECDLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)C1CC1 ZINC000809784806 674509881 /nfs/dbraw/zinc/50/98/81/674509881.db2.gz NPVNNUNYAITFDN-GFCCVEGCSA-N 1 2 358.891 2.339 20 10 FECDLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)C1CC1 ZINC000809784806 674509882 /nfs/dbraw/zinc/50/98/82/674509882.db2.gz NPVNNUNYAITFDN-GFCCVEGCSA-N 1 2 358.891 2.339 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1O ZINC000817412039 675130616 /nfs/dbraw/zinc/13/06/16/675130616.db2.gz BPZUJFOXYKSPCS-GFCCVEGCSA-N 1 2 360.248 2.135 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)c1O ZINC000817412039 675130617 /nfs/dbraw/zinc/13/06/17/675130617.db2.gz BPZUJFOXYKSPCS-GFCCVEGCSA-N 1 2 360.248 2.135 20 10 FECDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000093392393 670751857 /nfs/dbraw/zinc/75/18/57/670751857.db2.gz ADFHYHAIWKCBQW-AWEZNQCLSA-N 1 2 370.490 2.060 20 10 FECDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000093392393 670751860 /nfs/dbraw/zinc/75/18/60/670751860.db2.gz ADFHYHAIWKCBQW-AWEZNQCLSA-N 1 2 370.490 2.060 20 10 FECDLO CCN(CC)c1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1F ZINC000125112928 672006837 /nfs/dbraw/zinc/00/68/37/672006837.db2.gz MOCKDXSFDBWJAP-UHFFFAOYSA-N 1 2 357.495 2.139 20 10 FECDLO CCN(CC)c1ccc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1F ZINC000125112928 672006843 /nfs/dbraw/zinc/00/68/43/672006843.db2.gz MOCKDXSFDBWJAP-UHFFFAOYSA-N 1 2 357.495 2.139 20 10 FECDLO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(Br)c2O)C2CC2)C1 ZINC000157054003 672254159 /nfs/dbraw/zinc/25/41/59/672254159.db2.gz SBNDGLBBQFSVBP-LBPRGKRZSA-N 1 2 360.273 2.306 20 10 FECDLO O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(Br)c2O)C2CC2)C1 ZINC000157054003 672254161 /nfs/dbraw/zinc/25/41/61/672254161.db2.gz SBNDGLBBQFSVBP-LBPRGKRZSA-N 1 2 360.273 2.306 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)cc1F ZINC000177521925 672383447 /nfs/dbraw/zinc/38/34/47/672383447.db2.gz QHXPKSYJOHZPRQ-UHFFFAOYSA-N 1 2 353.438 2.481 20 10 FECDLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715713059 673073582 /nfs/dbraw/zinc/07/35/82/673073582.db2.gz NUNACXYXJBRGFM-UHFFFAOYSA-N 1 2 354.241 2.207 20 10 FECDLO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715826814 673073855 /nfs/dbraw/zinc/07/38/55/673073855.db2.gz HKCXSHJASYIUQE-UHFFFAOYSA-N 1 2 366.252 2.351 20 10 FECDLO CC(C)(C)OC(=O)C1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000839133718 680740547 /nfs/dbraw/zinc/74/05/47/680740547.db2.gz VGZVLLKTOKPUTH-UHFFFAOYSA-N 1 2 350.434 2.436 20 10 FECDLO Cc1cc(Br)c(O)c(C[NH+]2CCC(S(C)(=O)=O)CC2)c1 ZINC000781913405 681988697 /nfs/dbraw/zinc/98/86/97/681988697.db2.gz UCEZVXOESDYYCC-UHFFFAOYSA-N 1 2 362.289 2.472 20 10 FECDLO CS(=O)(=O)N1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000798189140 683319555 /nfs/dbraw/zinc/31/95/55/683319555.db2.gz HNHBHYWWJYVHCL-UHFFFAOYSA-N 1 2 360.435 2.369 20 10 FECDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000875377417 685798189 /nfs/dbraw/zinc/79/81/89/685798189.db2.gz ZJXVOKUJSRKILT-CYBMUJFWSA-N 1 2 358.533 2.035 20 10 FECDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000875377417 685798194 /nfs/dbraw/zinc/79/81/94/685798194.db2.gz ZJXVOKUJSRKILT-CYBMUJFWSA-N 1 2 358.533 2.035 20 10 FECDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000877696208 686440176 /nfs/dbraw/zinc/44/01/76/686440176.db2.gz ZXBLMKRNUPOLBW-SFHVURJKSA-N 1 2 355.406 2.090 20 10 FECDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000877696208 686440181 /nfs/dbraw/zinc/44/01/81/686440181.db2.gz ZXBLMKRNUPOLBW-SFHVURJKSA-N 1 2 355.406 2.090 20 10 FECDLO O=S1(=O)C[C@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C[C@H]2C1 ZINC000877791485 686462152 /nfs/dbraw/zinc/46/21/52/686462152.db2.gz QNBZLYTXDJNLMY-NEPJUHHUSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@H]2CC[N@H+](Cc3ccc(Br)cc3O)C[C@H]2C1 ZINC000877791485 686462155 /nfs/dbraw/zinc/46/21/55/686462155.db2.gz QNBZLYTXDJNLMY-NEPJUHHUSA-N 1 2 360.273 2.021 20 10 FECDLO COC1CCN(c2ccc(C[NH+]3CCN([S@](C)(=N)=O)CC3)cc2)CC1 ZINC000879947581 686956922 /nfs/dbraw/zinc/95/69/22/686956922.db2.gz UTXRZJLHRQUDRI-VWLOTQADSA-N 1 2 366.531 2.011 20 10 FECDLO CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000881803238 687220899 /nfs/dbraw/zinc/22/08/99/687220899.db2.gz NMILDWHCOYOQGY-UHFFFAOYSA-N 1 2 350.488 2.190 20 10 FECDLO Cn1nccc1[C@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883144370 687576486 /nfs/dbraw/zinc/57/64/86/687576486.db2.gz MOYMXXSTBMMXLW-NSHDSACASA-N 1 2 360.639 2.365 20 10 FECDLO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C2 ZINC000883162563 687579268 /nfs/dbraw/zinc/57/92/68/687579268.db2.gz XBYFFLAPXOZYFX-JTQLQIEISA-N 1 2 355.211 2.069 20 10 FECDLO CC(C)[C@H](CNC(=O)NCc1cccc(Cl)c1O)N1CC[NH+](C)CC1 ZINC000891755159 689101756 /nfs/dbraw/zinc/10/17/56/689101756.db2.gz UWGPJBKCMVBZGI-INIZCTEOSA-N 1 2 368.909 2.117 20 10 FECDLO O=C1NCCC12CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC000895471488 689722052 /nfs/dbraw/zinc/72/20/52/689722052.db2.gz XJNJGZCNDLUWGL-UHFFFAOYSA-N 1 2 357.223 2.396 20 10 FECDLO Cn1nccc1[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000897559418 690039364 /nfs/dbraw/zinc/03/93/64/690039364.db2.gz VYLOOLQNSOSTHZ-OAHLLOKOSA-N 1 2 352.232 2.462 20 10 FECDLO Cn1nccc1[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000897559418 690039367 /nfs/dbraw/zinc/03/93/67/690039367.db2.gz VYLOOLQNSOSTHZ-OAHLLOKOSA-N 1 2 352.232 2.462 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)COCc3nc(C)no3)CC2)cc1 ZINC000074545244 542097659 /nfs/dbraw/zinc/09/76/59/542097659.db2.gz AACMRUJJQOWJCW-UHFFFAOYSA-N 1 2 374.441 2.031 20 10 FECDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c(C)n1-c1ccccn1 ZINC000127599306 544003267 /nfs/dbraw/zinc/00/32/67/544003267.db2.gz QXKFKVTWBVPLQZ-KRWDZBQOSA-N 1 2 354.454 2.082 20 10 FECDLO Cc1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c(C)n1-c1ccccn1 ZINC000127599306 544003270 /nfs/dbraw/zinc/00/32/70/544003270.db2.gz QXKFKVTWBVPLQZ-KRWDZBQOSA-N 1 2 354.454 2.082 20 10 FECDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000136022583 544365003 /nfs/dbraw/zinc/36/50/03/544365003.db2.gz OTOVGWOJMBCSRF-QAPCUYQASA-N 1 2 355.438 2.359 20 10 FECDLO CCC(CC)[C@@H](C(=O)NCc1cccc(OC)c1O)[NH+]1CCOCC1 ZINC000175930732 546374592 /nfs/dbraw/zinc/37/45/92/546374592.db2.gz JDYOYECPDHMLIJ-KRWDZBQOSA-N 1 2 350.459 2.154 20 10 FECDLO COc1ccccc1C[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180747985 547173151 /nfs/dbraw/zinc/17/31/51/547173151.db2.gz QGQNNAXEGIUACI-VQHVLOKHSA-N 1 2 368.433 2.464 20 10 FECDLO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1O ZINC000186078024 548080924 /nfs/dbraw/zinc/08/09/24/548080924.db2.gz SMVRAQOTPKNCJV-VIFPVBQESA-N 1 2 356.271 2.411 20 10 FECDLO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)c(F)c1O ZINC000187794178 548264217 /nfs/dbraw/zinc/26/42/17/548264217.db2.gz JSMGDGNVKSYKKB-SNVBAGLBSA-N 1 2 360.426 2.278 20 10 FECDLO O=S(=O)([C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCCC1 ZINC000191447908 548345651 /nfs/dbraw/zinc/34/56/51/548345651.db2.gz IBXAIGIWMYTLFD-LLVKDONJSA-N 1 2 362.854 2.185 20 10 FECDLO O=S(=O)([C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCCC1 ZINC000191447908 548345659 /nfs/dbraw/zinc/34/56/59/548345659.db2.gz IBXAIGIWMYTLFD-LLVKDONJSA-N 1 2 362.854 2.185 20 10 FECDLO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273510201 550501020 /nfs/dbraw/zinc/50/10/20/550501020.db2.gz RMJKADCQHYNIBF-WFASDCNBSA-N 1 2 353.419 2.128 20 10 FECDLO COc1cc(Cl)cc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c1O ZINC000273610839 550505139 /nfs/dbraw/zinc/50/51/39/550505139.db2.gz ADEWARHSBDRPFC-UHFFFAOYSA-N 1 2 352.797 2.306 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000278319740 550772372 /nfs/dbraw/zinc/77/23/72/550772372.db2.gz FZANJXWMFYPZPW-AWEZNQCLSA-N 1 2 364.427 2.333 20 10 FECDLO COc1c(O)c(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000278319740 550772373 /nfs/dbraw/zinc/77/23/73/550772373.db2.gz FZANJXWMFYPZPW-AWEZNQCLSA-N 1 2 364.427 2.333 20 10 FECDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)no1 ZINC000363028475 555013469 /nfs/dbraw/zinc/01/34/69/555013469.db2.gz RSYNQWPNBLIXHE-QGZVFWFLSA-N 1 2 371.485 2.282 20 10 FECDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)no1 ZINC000363028475 555013470 /nfs/dbraw/zinc/01/34/70/555013470.db2.gz RSYNQWPNBLIXHE-QGZVFWFLSA-N 1 2 371.485 2.282 20 10 FECDLO CN(C)c1ccc(C2=CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)cc1 ZINC000368281707 556266840 /nfs/dbraw/zinc/26/68/40/556266840.db2.gz CIPGWHJBCFBQBG-UHFFFAOYSA-N 1 2 372.513 2.272 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c1O ZINC000369350177 556576328 /nfs/dbraw/zinc/57/63/28/556576328.db2.gz RMRHOINJPWTEOO-CFMSYZGJSA-N 1 2 362.289 2.364 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)c1O ZINC000369350177 556576330 /nfs/dbraw/zinc/57/63/30/556576330.db2.gz RMRHOINJPWTEOO-CFMSYZGJSA-N 1 2 362.289 2.364 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)c1O ZINC000369350180 556576590 /nfs/dbraw/zinc/57/65/90/556576590.db2.gz RMRHOINJPWTEOO-WVDJIFEKSA-N 1 2 362.289 2.364 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)c1O ZINC000369350180 556576591 /nfs/dbraw/zinc/57/65/91/556576591.db2.gz RMRHOINJPWTEOO-WVDJIFEKSA-N 1 2 362.289 2.364 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)NOC[C@@H]3CCOC3)CC2)cc1 ZINC000373756394 557752496 /nfs/dbraw/zinc/75/24/96/557752496.db2.gz DTPGYSHNRKTWHQ-OAHLLOKOSA-N 1 2 363.458 2.274 20 10 FECDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000373812485 557764981 /nfs/dbraw/zinc/76/49/81/557764981.db2.gz MULRLXNYANEUNM-VIFPVBQESA-N 1 2 354.769 2.010 20 10 FECDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000373812485 557764983 /nfs/dbraw/zinc/76/49/83/557764983.db2.gz MULRLXNYANEUNM-VIFPVBQESA-N 1 2 354.769 2.010 20 10 FECDLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000373825156 557767762 /nfs/dbraw/zinc/76/77/62/557767762.db2.gz OWIUCNRLVDBOGC-HNNXBMFYSA-N 1 2 356.825 2.398 20 10 FECDLO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000373825156 557767765 /nfs/dbraw/zinc/76/77/65/557767765.db2.gz OWIUCNRLVDBOGC-HNNXBMFYSA-N 1 2 356.825 2.398 20 10 FECDLO CC(C)(O)c1cn(C2C[NH+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000374838645 557938638 /nfs/dbraw/zinc/93/86/38/557938638.db2.gz LMPWVQPOTFZOTK-UHFFFAOYSA-N 1 2 367.247 2.031 20 10 FECDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCCOC2)O1 ZINC000376029301 558116163 /nfs/dbraw/zinc/11/61/63/558116163.db2.gz NRNNTNUGBMVLKQ-KBXCAEBGSA-N 1 2 366.414 2.469 20 10 FECDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCCOC2)O1 ZINC000376029301 558116165 /nfs/dbraw/zinc/11/61/65/558116165.db2.gz NRNNTNUGBMVLKQ-KBXCAEBGSA-N 1 2 366.414 2.469 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413502012 559112555 /nfs/dbraw/zinc/11/25/55/559112555.db2.gz MOGHNRYKPNMDTO-UHFFFAOYSA-N 1 2 358.486 2.397 20 10 FECDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000530272830 562404895 /nfs/dbraw/zinc/40/48/95/562404895.db2.gz DOJJIDDQSIEZQH-ZDUSSCGKSA-N 1 2 360.385 2.250 20 10 FECDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000530272830 562404896 /nfs/dbraw/zinc/40/48/96/562404896.db2.gz DOJJIDDQSIEZQH-ZDUSSCGKSA-N 1 2 360.385 2.250 20 10 FECDLO CC(=O)C(=O)COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000808517949 674461362 /nfs/dbraw/zinc/46/13/62/674461362.db2.gz TXEXDLMKNGVWOY-INIZCTEOSA-N 1 2 357.328 2.142 20 10 FECDLO CC(=O)C(=O)COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000808517949 674461364 /nfs/dbraw/zinc/46/13/64/674461364.db2.gz TXEXDLMKNGVWOY-INIZCTEOSA-N 1 2 357.328 2.142 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1 ZINC000814174443 674824357 /nfs/dbraw/zinc/82/43/57/674824357.db2.gz CORGAKNRCRXGQY-NSHDSACASA-N 1 2 362.289 2.330 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)c1 ZINC000814174443 674824361 /nfs/dbraw/zinc/82/43/61/674824361.db2.gz CORGAKNRCRXGQY-NSHDSACASA-N 1 2 362.289 2.330 20 10 FECDLO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156163514 672242938 /nfs/dbraw/zinc/24/29/38/672242938.db2.gz OOVOKFCZLYIJPU-MRXNPFEDSA-N 1 2 356.495 2.315 20 10 FECDLO O=C(C[NH2+]Cc1cc(Cl)cc(Br)c1O)NCC(F)F ZINC000708140653 673064645 /nfs/dbraw/zinc/06/46/45/673064645.db2.gz YLWCGHSFQXEYHY-UHFFFAOYSA-N 1 2 357.582 2.279 20 10 FECDLO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000826894942 675714024 /nfs/dbraw/zinc/71/40/24/675714024.db2.gz ZLRVJISJBSQZMQ-JSGCOSHPSA-N 1 2 367.389 2.198 20 10 FECDLO CCOc1ccc(O)c(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000826894942 675714025 /nfs/dbraw/zinc/71/40/25/675714025.db2.gz ZLRVJISJBSQZMQ-JSGCOSHPSA-N 1 2 367.389 2.198 20 10 FECDLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000762795267 680761809 /nfs/dbraw/zinc/76/18/09/680761809.db2.gz SKIOIEPXMVPNMO-GFCCVEGCSA-N 1 2 368.796 2.400 20 10 FECDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000762795267 680761811 /nfs/dbraw/zinc/76/18/11/680761811.db2.gz SKIOIEPXMVPNMO-GFCCVEGCSA-N 1 2 368.796 2.400 20 10 FECDLO O=C(NCc1cc(Cl)ccc1O)c1cccn1CC[NH+]1CCOCC1 ZINC000911898921 685279441 /nfs/dbraw/zinc/27/94/41/685279441.db2.gz SDQDYJSRCIVWHM-UHFFFAOYSA-N 1 2 363.845 2.109 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Br)cc(F)c1O ZINC000756568132 680486037 /nfs/dbraw/zinc/48/60/37/680486037.db2.gz BTBMGENAGWPAHB-JQWIXIFHSA-N 1 2 360.271 2.190 20 10 FECDLO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000756768159 680496979 /nfs/dbraw/zinc/49/69/79/680496979.db2.gz AMYBLQYAPZTNEL-YUMQZZPRSA-N 1 2 354.241 2.378 20 10 FECDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000769935293 681001142 /nfs/dbraw/zinc/00/11/42/681001142.db2.gz BSVMUDHPEXBWOD-UHFFFAOYSA-N 1 2 352.236 2.149 20 10 FECDLO C[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(N(C)C)cc1 ZINC000775834656 681340267 /nfs/dbraw/zinc/34/02/67/681340267.db2.gz BTDFFURBLQSDHE-CYBMUJFWSA-N 1 2 358.467 2.425 20 10 FECDLO CCOC(=O)C1(O)CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781907822 681988201 /nfs/dbraw/zinc/98/82/01/681988201.db2.gz FTKIKKMPMAZDAQ-UHFFFAOYSA-N 1 2 372.259 2.353 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2CCN(CCO)C(C)(C)C2)c1O ZINC000783713360 682168628 /nfs/dbraw/zinc/16/86/28/682168628.db2.gz ANTVKKHRXWTEKQ-UHFFFAOYSA-N 1 2 357.292 2.352 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CCN(CCO)C(C)(C)C2)c1O ZINC000783713360 682168632 /nfs/dbraw/zinc/16/86/32/682168632.db2.gz ANTVKKHRXWTEKQ-UHFFFAOYSA-N 1 2 357.292 2.352 20 10 FECDLO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)cc(F)c1O ZINC000927137527 683211701 /nfs/dbraw/zinc/21/17/01/683211701.db2.gz XFPYNXVNVPBBRG-SDBXPKJASA-N 1 2 358.211 2.412 20 10 FECDLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000877648407 686429148 /nfs/dbraw/zinc/42/91/48/686429148.db2.gz XPLMCVFPVYQEKL-QGZVFWFLSA-N 1 2 353.369 2.185 20 10 FECDLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000877648407 686429157 /nfs/dbraw/zinc/42/91/57/686429157.db2.gz XPLMCVFPVYQEKL-QGZVFWFLSA-N 1 2 353.369 2.185 20 10 FECDLO CC[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(Cl)c1O ZINC000903225032 690868760 /nfs/dbraw/zinc/86/87/60/690868760.db2.gz DKLZBJGABBQOHI-LBPRGKRZSA-N 1 2 368.908 2.144 20 10 FECDLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(Br)cc(F)c1O ZINC000800498334 674057192 /nfs/dbraw/zinc/05/71/92/674057192.db2.gz HLUFRVJRXLCNFB-SFYZADRCSA-N 1 2 351.191 2.419 20 10 FECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000047028631 540285735 /nfs/dbraw/zinc/28/57/35/540285735.db2.gz QXJQLBICLHFSQO-NVXWUHKLSA-N 1 2 358.442 2.368 20 10 FECDLO C[N@H+](CCCO)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093394857 542930683 /nfs/dbraw/zinc/93/06/83/542930683.db2.gz ODVVIKFUADCGMT-UHFFFAOYSA-N 1 2 357.838 2.232 20 10 FECDLO C[N@@H+](CCCO)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093394857 542930684 /nfs/dbraw/zinc/93/06/84/542930684.db2.gz ODVVIKFUADCGMT-UHFFFAOYSA-N 1 2 357.838 2.232 20 10 FECDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3cccc(OC)c3O)CC2)c1=N ZINC000128259844 544042295 /nfs/dbraw/zinc/04/22/95/544042295.db2.gz PHJQQYSILGXWHY-UHFFFAOYSA-N 1 2 374.441 2.024 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000178796914 546851431 /nfs/dbraw/zinc/85/14/31/546851431.db2.gz UIWBRPHWRYTVFS-AREMUKBSSA-N 1 2 373.522 2.238 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000178796914 546851435 /nfs/dbraw/zinc/85/14/35/546851435.db2.gz UIWBRPHWRYTVFS-AREMUKBSSA-N 1 2 373.522 2.238 20 10 FECDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000180234050 547071108 /nfs/dbraw/zinc/07/11/08/547071108.db2.gz IMGUIDQAZFDJDM-CHWSQXEVSA-N 1 2 358.232 2.225 20 10 FECDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000180234050 547071110 /nfs/dbraw/zinc/07/11/10/547071110.db2.gz IMGUIDQAZFDJDM-CHWSQXEVSA-N 1 2 358.232 2.225 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000180599708 547138665 /nfs/dbraw/zinc/13/86/65/547138665.db2.gz XXYQQNXROXMAEA-VQHVLOKHSA-N 1 2 368.433 2.334 20 10 FECDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180784349 547179516 /nfs/dbraw/zinc/17/95/16/547179516.db2.gz HVYXGIPZTIUULT-KEDPEKRHSA-N 1 2 353.422 2.411 20 10 FECDLO Cc1cccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCOCC2)c1 ZINC000237783145 548852288 /nfs/dbraw/zinc/85/22/88/548852288.db2.gz REJZASCHKRMPLJ-HXUWFJFHSA-N 1 2 353.466 2.309 20 10 FECDLO COc1ccsc1/C=C1\SC(=S)N(CC[NH+]2CCOCC2)C1=O ZINC000268702970 550106439 /nfs/dbraw/zinc/10/64/39/550106439.db2.gz AHKMWSZLMDRAFN-RAXLEYEMSA-N 1 2 370.521 2.290 20 10 FECDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000287593883 552022885 /nfs/dbraw/zinc/02/28/85/552022885.db2.gz QPIDAWJEJSISRI-VQIMIIECSA-N 1 2 372.513 2.074 20 10 FECDLO CCOc1cccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c1O ZINC000291151886 552593640 /nfs/dbraw/zinc/59/36/40/552593640.db2.gz ZQECHLVMNVPMTA-UHFFFAOYSA-N 1 2 355.438 2.335 20 10 FECDLO CCOc1cccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)c1O ZINC000291151886 552593641 /nfs/dbraw/zinc/59/36/41/552593641.db2.gz ZQECHLVMNVPMTA-UHFFFAOYSA-N 1 2 355.438 2.335 20 10 FECDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293782970 552856200 /nfs/dbraw/zinc/85/62/00/552856200.db2.gz BXUGEHMQDLIXKP-UHFFFAOYSA-N 1 2 350.843 2.088 20 10 FECDLO CCCNC(=O)CN1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293799844 552857536 /nfs/dbraw/zinc/85/75/36/552857536.db2.gz BWKUCRMJVLPFCY-UHFFFAOYSA-N 1 2 357.857 2.265 20 10 FECDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2ccc(F)cc2O)CC1 ZINC000296639496 553191576 /nfs/dbraw/zinc/19/15/76/553191576.db2.gz XZCWCXUFQVHMMI-MCFWBGNESA-N 1 2 357.447 2.369 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3nn(C(C)C)c(=O)cc3C2)c1O ZINC000370217094 556813562 /nfs/dbraw/zinc/81/35/62/556813562.db2.gz XRFBBBKXLLQFGZ-UHFFFAOYSA-N 1 2 359.401 2.430 20 10 FECDLO NC(=O)c1cccnc1N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000371416324 557179228 /nfs/dbraw/zinc/17/92/28/557179228.db2.gz GNARKPGLZFWJBV-UHFFFAOYSA-N 1 2 360.845 2.252 20 10 FECDLO NC(=O)c1cccnc1N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000371416324 557179230 /nfs/dbraw/zinc/17/92/30/557179230.db2.gz GNARKPGLZFWJBV-UHFFFAOYSA-N 1 2 360.845 2.252 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000372872536 557579730 /nfs/dbraw/zinc/57/97/30/557579730.db2.gz VUYANKBZBJLLMC-PSVSLLHZSA-N 1 2 364.396 2.274 20 10 FECDLO COc1cc(Br)cc(CN2CCc3c([nH+]cn3C)C2)c1O ZINC000374424391 557882373 /nfs/dbraw/zinc/88/23/73/557882373.db2.gz ZYFVGEJKMGVKKO-UHFFFAOYSA-N 1 2 352.232 2.455 20 10 FECDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375587972 558053379 /nfs/dbraw/zinc/05/33/79/558053379.db2.gz ODKWIBHBPLQWKG-IJEWVQPXSA-N 1 2 355.438 2.313 20 10 FECDLO COCCCONC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000377002890 558250675 /nfs/dbraw/zinc/25/06/75/558250675.db2.gz PFVRYXHSBJRIIX-UHFFFAOYSA-N 1 2 351.447 2.274 20 10 FECDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCCn1cc[nH+]c1 ZINC000761126766 680712005 /nfs/dbraw/zinc/71/20/05/680712005.db2.gz UQOUQIJIXJEESD-UHFFFAOYSA-N 1 2 362.817 2.487 20 10 FECDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(C)cc(Br)c1O ZINC000781910469 681987656 /nfs/dbraw/zinc/98/76/56/681987656.db2.gz WFTYAHOMHBGVPG-UHFFFAOYSA-N 1 2 350.278 2.330 20 10 FECDLO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Br)cc(F)c1O ZINC000756371859 680474972 /nfs/dbraw/zinc/47/49/72/680474972.db2.gz NYLGCTATQIFOFJ-RKDXNWHRSA-N 1 2 366.252 2.379 20 10 FECDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(C)cc(Br)c1O ZINC000781910469 681987652 /nfs/dbraw/zinc/98/76/52/681987652.db2.gz WFTYAHOMHBGVPG-UHFFFAOYSA-N 1 2 350.278 2.330 20 10 FECDLO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(CO)on1 ZINC000926559962 683145667 /nfs/dbraw/zinc/14/56/67/683145667.db2.gz PCLNFSSVXDANPI-LLVKDONJSA-N 1 2 353.369 2.133 20 10 FECDLO Cn1ccnc1CN1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862241728 683557572 /nfs/dbraw/zinc/55/75/72/683557572.db2.gz YNBSVSPWFQEALL-UHFFFAOYSA-N 1 2 365.275 2.206 20 10 FECDLO COCCn1cc(C[NH2+]Cc2cc(Br)cc(F)c2O)cn1 ZINC000883111581 687568309 /nfs/dbraw/zinc/56/83/09/687568309.db2.gz JDZGOYKGQOVMGD-UHFFFAOYSA-N 1 2 358.211 2.427 20 10 FECDLO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Cl)c(Cl)cc1O ZINC000883336907 687610138 /nfs/dbraw/zinc/61/01/38/687610138.db2.gz WFJHENMBQXRFRF-MRVPVSSYSA-N 1 2 368.224 2.291 20 10 FECDLO CN(C)c1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000057647589 540806111 /nfs/dbraw/zinc/80/61/11/540806111.db2.gz FEMUKIMOXYELDT-UHFFFAOYSA-N 1 2 371.460 2.314 20 10 FECDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c[nH+]ccc2OC)cc1F ZINC000067000912 541405499 /nfs/dbraw/zinc/40/54/99/541405499.db2.gz WMJNBONCVLORBR-UHFFFAOYSA-N 1 2 374.416 2.330 20 10 FECDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1 ZINC000091924609 542832381 /nfs/dbraw/zinc/83/23/81/542832381.db2.gz WWGIETMWDVXQAH-UHFFFAOYSA-N 1 2 356.422 2.455 20 10 FECDLO O=C1/C(=C\c2cc(F)cc(F)c2)SC(=S)N1CC[NH+]1CCOCC1 ZINC000157384063 545733649 /nfs/dbraw/zinc/73/36/49/545733649.db2.gz BZEVTUQDFJOELN-NTEUORMPSA-N 1 2 370.446 2.498 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000177153709 546557475 /nfs/dbraw/zinc/55/74/75/546557475.db2.gz UJNDMXMMIHOZKE-CQSZACIVSA-N 1 2 357.859 2.400 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000177153709 546557477 /nfs/dbraw/zinc/55/74/77/546557477.db2.gz UJNDMXMMIHOZKE-CQSZACIVSA-N 1 2 357.859 2.400 20 10 FECDLO CS(=O)(=O)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000179903741 547026903 /nfs/dbraw/zinc/02/69/03/547026903.db2.gz JDXMSQMDEVTNKQ-UHFFFAOYSA-N 1 2 353.271 2.166 20 10 FECDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000179903741 547026905 /nfs/dbraw/zinc/02/69/05/547026905.db2.gz JDXMSQMDEVTNKQ-UHFFFAOYSA-N 1 2 353.271 2.166 20 10 FECDLO COc1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000271034284 550333832 /nfs/dbraw/zinc/33/38/32/550333832.db2.gz LKTAHVHNJPTWFW-UHFFFAOYSA-N 1 2 358.398 2.329 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000272526728 550455506 /nfs/dbraw/zinc/45/55/06/550455506.db2.gz WKCQGSQSJIQSJK-KOEDOTQGSA-N 1 2 368.433 2.128 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000272526728 550455509 /nfs/dbraw/zinc/45/55/09/550455509.db2.gz WKCQGSQSJIQSJK-KOEDOTQGSA-N 1 2 368.433 2.128 20 10 FECDLO COc1ccnc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000273593702 550504628 /nfs/dbraw/zinc/50/46/28/550504628.db2.gz JQPSRXJJLNMZMK-UHFFFAOYSA-N 1 2 373.453 2.438 20 10 FECDLO COc1cc[nH+]c(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000273593702 550504629 /nfs/dbraw/zinc/50/46/29/550504629.db2.gz JQPSRXJJLNMZMK-UHFFFAOYSA-N 1 2 373.453 2.438 20 10 FECDLO COc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000274846117 550559181 /nfs/dbraw/zinc/55/91/81/550559181.db2.gz ACYSPZJDAFGZRP-CQSZACIVSA-N 1 2 352.431 2.126 20 10 FECDLO COc1cccc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000274846117 550559182 /nfs/dbraw/zinc/55/91/82/550559182.db2.gz ACYSPZJDAFGZRP-CQSZACIVSA-N 1 2 352.431 2.126 20 10 FECDLO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc2F)CC1 ZINC000290166562 552437193 /nfs/dbraw/zinc/43/71/93/552437193.db2.gz DRNKNWJVVWZSDO-CQSZACIVSA-N 1 2 365.346 2.484 20 10 FECDLO CC[NH+]1CCN(c2ccc(CNC(=O)C(F)C(F)(F)F)cc2F)CC1 ZINC000290166562 552437198 /nfs/dbraw/zinc/43/71/98/552437198.db2.gz DRNKNWJVVWZSDO-CQSZACIVSA-N 1 2 365.346 2.484 20 10 FECDLO CCOC(=O)NCCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000363709572 555168559 /nfs/dbraw/zinc/16/85/59/555168559.db2.gz LWVQJJALJWNQMO-UHFFFAOYSA-N 1 2 363.458 2.259 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)C3(OC)CCOCC3)CC2)cc1 ZINC000367270996 556004705 /nfs/dbraw/zinc/00/47/05/556004705.db2.gz NAAMBFJFEHWXGF-UHFFFAOYSA-N 1 2 362.470 2.318 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2C)cc1OC ZINC000368295031 556271112 /nfs/dbraw/zinc/27/11/12/556271112.db2.gz YENRZDARTXPYQK-LJQANCHMSA-N 1 2 356.422 2.391 20 10 FECDLO COc1cc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2C)cc1OC ZINC000368295031 556271114 /nfs/dbraw/zinc/27/11/14/556271114.db2.gz YENRZDARTXPYQK-LJQANCHMSA-N 1 2 356.422 2.391 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000375712303 558071336 /nfs/dbraw/zinc/07/13/36/558071336.db2.gz RHUMBKXTEYMJND-HNNXBMFYSA-N 1 2 363.414 2.286 20 10 FECDLO COc1c(O)c(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000375712303 558071337 /nfs/dbraw/zinc/07/13/37/558071337.db2.gz RHUMBKXTEYMJND-HNNXBMFYSA-N 1 2 363.414 2.286 20 10 FECDLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000098098185 670766225 /nfs/dbraw/zinc/76/62/25/670766225.db2.gz VBURWNCMQYWRBR-UHFFFAOYSA-N 1 2 361.873 2.498 20 10 FECDLO COC(=O)C[N@H+](CCC(=O)N1CCCCC1)Cc1cc(Cl)ccc1O ZINC000111238262 670856595 /nfs/dbraw/zinc/85/65/95/670856595.db2.gz SKCQKMRYCJBVSU-UHFFFAOYSA-N 1 2 368.861 2.423 20 10 FECDLO COC(=O)C[N@@H+](CCC(=O)N1CCCCC1)Cc1cc(Cl)ccc1O ZINC000111238262 670856599 /nfs/dbraw/zinc/85/65/99/670856599.db2.gz SKCQKMRYCJBVSU-UHFFFAOYSA-N 1 2 368.861 2.423 20 10 FECDLO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CCS1(=O)=O ZINC000708137702 673064603 /nfs/dbraw/zinc/06/46/03/673064603.db2.gz CRWSFGWYJZTVNA-RDDDGLTNSA-N 1 2 368.680 2.473 20 10 FECDLO C[N@H+](Cc1c(O)cccc1Br)CC(C)(C)S(C)(=O)=O ZINC000713911919 673070913 /nfs/dbraw/zinc/07/09/13/673070913.db2.gz QIVDRXUOBLTXAS-UHFFFAOYSA-N 1 2 350.278 2.410 20 10 FECDLO C[N@@H+](Cc1c(O)cccc1Br)CC(C)(C)S(C)(=O)=O ZINC000713911919 673070918 /nfs/dbraw/zinc/07/09/18/673070918.db2.gz QIVDRXUOBLTXAS-UHFFFAOYSA-N 1 2 350.278 2.410 20 10 FECDLO COc1cc(O)c(C[NH2+]Cc2nn(C)cc2Br)cc1OC ZINC000824780114 675621937 /nfs/dbraw/zinc/62/19/37/675621937.db2.gz FFUDSGMKDDHJOE-UHFFFAOYSA-N 1 2 356.220 2.195 20 10 FECDLO CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000752094536 680223900 /nfs/dbraw/zinc/22/39/00/680223900.db2.gz MIVSMBWMSCYORO-UHFFFAOYSA-N 1 2 368.861 2.365 20 10 FECDLO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Br)c(F)cc1O ZINC000756569535 680486009 /nfs/dbraw/zinc/48/60/09/680486009.db2.gz QJBWQWZJOONACI-GHMZBOCLSA-N 1 2 360.271 2.190 20 10 FECDLO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)cc(F)c1O ZINC000756612003 680488862 /nfs/dbraw/zinc/48/88/62/680488862.db2.gz LGXRPTQSKYDDRR-SDBXPKJASA-N 1 2 358.211 2.412 20 10 FECDLO COC(=O)[C@H]([N@H+](C)CCN(C)c1ccc(OC)cc1)C1(OC)CCC1 ZINC000844402723 681056973 /nfs/dbraw/zinc/05/69/73/681056973.db2.gz UOWQYDWOTNILOR-KRWDZBQOSA-N 1 2 350.459 2.174 20 10 FECDLO COC(=O)[C@H]([N@@H+](C)CCN(C)c1ccc(OC)cc1)C1(OC)CCC1 ZINC000844402723 681056975 /nfs/dbraw/zinc/05/69/75/681056975.db2.gz UOWQYDWOTNILOR-KRWDZBQOSA-N 1 2 350.459 2.174 20 10 FECDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774859070 681242527 /nfs/dbraw/zinc/24/25/27/681242527.db2.gz SCOREKRHKYYUGU-AWEZNQCLSA-N 1 2 351.403 2.142 20 10 FECDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774859070 681242532 /nfs/dbraw/zinc/24/25/32/681242532.db2.gz SCOREKRHKYYUGU-AWEZNQCLSA-N 1 2 351.403 2.142 20 10 FECDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775649322 681321565 /nfs/dbraw/zinc/32/15/65/681321565.db2.gz OFEJBGMTISNXLB-UHFFFAOYSA-N 1 2 364.870 2.479 20 10 FECDLO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000922973920 683813943 /nfs/dbraw/zinc/81/39/43/683813943.db2.gz HLPKQYZMEUGOOD-GFCCVEGCSA-N 1 2 360.639 2.365 20 10 FECDLO CN1C(=O)/C(=C/c2ccc(OCC[NH+]3CCOCC3)cc2)SC1=S ZINC000864355771 683842093 /nfs/dbraw/zinc/84/20/93/683842093.db2.gz JUIUOHPADBFQTL-QINSGFPZSA-N 1 2 364.492 2.229 20 10 FECDLO C/C(=C\C(=O)NCc1cc(Br)ccc1O)C[NH+]1CCOCC1 ZINC000908170295 691628899 /nfs/dbraw/zinc/62/88/99/691628899.db2.gz MXSVIMAAIOJYSF-XYOKQWHBSA-N 1 2 369.259 2.049 20 10 FECDLO COCCc1noc(C[N@@H+](C)Cc2ccc(Br)cc2O)n1 ZINC000824850338 675625488 /nfs/dbraw/zinc/62/54/88/675625488.db2.gz LUMNDAPABJAASD-UHFFFAOYSA-N 1 2 356.220 2.359 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000805309942 674330310 /nfs/dbraw/zinc/33/03/10/674330310.db2.gz JPKBLSHUFJZFBB-GFCCVEGCSA-N 1 2 365.231 2.165 20 10 FECDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000161512804 546131688 /nfs/dbraw/zinc/13/16/88/546131688.db2.gz IGIFOSWBNTWRDC-NVXWUHKLSA-N 1 2 355.438 2.359 20 10 FECDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1ccc(N)cc1 ZINC000168164109 546158807 /nfs/dbraw/zinc/15/88/07/546158807.db2.gz VBJJKQWMGZBEHP-KRWDZBQOSA-N 1 2 359.495 2.405 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3ncc(C)s3)CC2)cc1 ZINC000185009104 547916170 /nfs/dbraw/zinc/91/61/70/547916170.db2.gz KYDUUZJMJTVNLS-OAHLLOKOSA-N 1 2 374.510 2.460 20 10 FECDLO COC(=O)c1cn(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)nn1 ZINC000191493644 548346980 /nfs/dbraw/zinc/34/69/80/548346980.db2.gz GYXFHILOSGCHER-UHFFFAOYSA-N 1 2 368.796 2.400 20 10 FECDLO c1[nH]c2ncccc2c1C1=CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000277452241 550672371 /nfs/dbraw/zinc/67/23/71/550672371.db2.gz NKCIHAVVLSBZDO-UHFFFAOYSA-N 1 2 362.437 2.483 20 10 FECDLO c1[nH]c2ncccc2c1C1=CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000277452241 550672373 /nfs/dbraw/zinc/67/23/73/550672373.db2.gz NKCIHAVVLSBZDO-UHFFFAOYSA-N 1 2 362.437 2.483 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000285474261 551761848 /nfs/dbraw/zinc/76/18/48/551761848.db2.gz CGRKXBSJNBESQR-AWEZNQCLSA-N 1 2 374.890 2.104 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000285474261 551761850 /nfs/dbraw/zinc/76/18/50/551761850.db2.gz CGRKXBSJNBESQR-AWEZNQCLSA-N 1 2 374.890 2.104 20 10 FECDLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000296288300 553135484 /nfs/dbraw/zinc/13/54/84/553135484.db2.gz HQCPGOATTIJZRJ-GFCCVEGCSA-N 1 2 362.865 2.137 20 10 FECDLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000296288300 553135486 /nfs/dbraw/zinc/13/54/86/553135486.db2.gz HQCPGOATTIJZRJ-GFCCVEGCSA-N 1 2 362.865 2.137 20 10 FECDLO O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000299066104 553510720 /nfs/dbraw/zinc/51/07/20/553510720.db2.gz AFVGNYWLLSYMSB-UHFFFAOYSA-N 1 2 350.422 2.030 20 10 FECDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3cccc(F)c3O)CC2)c1=N ZINC000361909563 554937917 /nfs/dbraw/zinc/93/79/17/554937917.db2.gz VGALTHXLBJWZFB-UHFFFAOYSA-N 1 2 362.405 2.154 20 10 FECDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccc1O ZINC000362376445 554967882 /nfs/dbraw/zinc/96/78/82/554967882.db2.gz OFCNBUMIOOZSTN-LJQANCHMSA-N 1 2 350.422 2.330 20 10 FECDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)ccc1O ZINC000362376445 554967884 /nfs/dbraw/zinc/96/78/84/554967884.db2.gz OFCNBUMIOOZSTN-LJQANCHMSA-N 1 2 350.422 2.330 20 10 FECDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(C)ccc1O ZINC000362376445 554967887 /nfs/dbraw/zinc/96/78/87/554967887.db2.gz OFCNBUMIOOZSTN-LJQANCHMSA-N 1 2 350.422 2.330 20 10 FECDLO C[C@@H](NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000364942234 555445156 /nfs/dbraw/zinc/44/51/56/555445156.db2.gz FJRPJDAZDRGAKU-SJORKVTESA-N 1 2 372.513 2.270 20 10 FECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366476920 555855367 /nfs/dbraw/zinc/85/53/67/555855367.db2.gz RZBXFXNVHORQHB-IBGZPJMESA-N 1 2 360.502 2.147 20 10 FECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366476920 555855370 /nfs/dbraw/zinc/85/53/70/555855370.db2.gz RZBXFXNVHORQHB-IBGZPJMESA-N 1 2 360.502 2.147 20 10 FECDLO COCC[C@H]1COCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000368270263 556264246 /nfs/dbraw/zinc/26/42/46/556264246.db2.gz UUGALMBIASVYOG-ZDUSSCGKSA-N 1 2 360.248 2.401 20 10 FECDLO COCC[C@H]1COCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000368270263 556264247 /nfs/dbraw/zinc/26/42/47/556264247.db2.gz UUGALMBIASVYOG-ZDUSSCGKSA-N 1 2 360.248 2.401 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)CNCC(F)(F)F)CC2)cc1 ZINC000369309763 556571067 /nfs/dbraw/zinc/57/10/67/556571067.db2.gz HTYQPOYJKXUJBR-UHFFFAOYSA-N 1 2 359.392 2.274 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000373049459 557617293 /nfs/dbraw/zinc/61/72/93/557617293.db2.gz NMHLMYQNKXBNKY-MRXNPFEDSA-N 1 2 373.497 2.381 20 10 FECDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000809736358 674507852 /nfs/dbraw/zinc/50/78/52/674507852.db2.gz QJMNMSJBQSJYGV-UHFFFAOYSA-N 1 2 350.843 2.088 20 10 FECDLO CCC(CC)[C@@H](C(=O)NCc1cc(OC)ccc1O)[NH+]1CCOCC1 ZINC000173581044 672353343 /nfs/dbraw/zinc/35/33/43/672353343.db2.gz DZOAETVNKACNND-SFHVURJKSA-N 1 2 350.459 2.154 20 10 FECDLO COCCc1noc(C[N@H+](C)Cc2ccc(Br)cc2O)n1 ZINC000824850338 675625486 /nfs/dbraw/zinc/62/54/86/675625486.db2.gz LUMNDAPABJAASD-UHFFFAOYSA-N 1 2 356.220 2.359 20 10 FECDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)c1O ZINC000761194296 680714547 /nfs/dbraw/zinc/71/45/47/680714547.db2.gz XOPDFWKRUFAKQP-UHFFFAOYSA-N 1 2 350.850 2.106 20 10 FECDLO Cc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cn1 ZINC000764892036 680823576 /nfs/dbraw/zinc/82/35/76/680823576.db2.gz QUUFSFSMZHWPTH-RVDMUPIBSA-N 1 2 363.508 2.314 20 10 FECDLO O=C(NCc1cccc(Br)c1O)[C@H]1CCc2[nH+]ccn2C1 ZINC000765763608 680854441 /nfs/dbraw/zinc/85/44/41/680854441.db2.gz FGNHTMOUJWFYLX-NSHDSACASA-N 1 2 350.216 2.230 20 10 FECDLO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(Br)c(F)cc1O ZINC000834901958 680281212 /nfs/dbraw/zinc/28/12/12/680281212.db2.gz CEGGDNXVXKBFCR-SNVBAGLBSA-N 1 2 361.255 2.401 20 10 FECDLO Oc1c(Br)cccc1C[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000775143775 681276903 /nfs/dbraw/zinc/27/69/03/681276903.db2.gz BPKNHSLUIXUFDK-UHFFFAOYSA-N 1 2 374.242 2.479 20 10 FECDLO COCc1n[nH]c(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)n1 ZINC000850515629 681910953 /nfs/dbraw/zinc/91/09/53/681910953.db2.gz GLGWCDGTDMQWTC-QMMMGPOBSA-N 1 2 371.235 2.279 20 10 FECDLO C[C@H]1C[N@H+](CCNC(=O)NCCCSc2nccs2)[C@@H](C)CO1 ZINC000853855743 682479961 /nfs/dbraw/zinc/47/99/61/682479961.db2.gz FGBDCBHHJRVTKP-STQMWFEESA-N 1 2 358.533 2.034 20 10 FECDLO C[C@H]1C[N@@H+](CCNC(=O)NCCCSc2nccs2)[C@@H](C)CO1 ZINC000853855743 682479964 /nfs/dbraw/zinc/47/99/64/682479964.db2.gz FGBDCBHHJRVTKP-STQMWFEESA-N 1 2 358.533 2.034 20 10 FECDLO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000877734989 686447148 /nfs/dbraw/zinc/44/71/48/686447148.db2.gz AJRWKCPUKBVKCU-UHFFFAOYSA-N 1 2 354.859 2.286 20 10 FECDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895392878 689708916 /nfs/dbraw/zinc/70/89/16/689708916.db2.gz UKLQTFCOHZKBQS-CQSZACIVSA-N 1 2 362.195 2.058 20 10 FECDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895392878 689708919 /nfs/dbraw/zinc/70/89/19/689708919.db2.gz UKLQTFCOHZKBQS-CQSZACIVSA-N 1 2 362.195 2.058 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCn4cccc4[C@H]3C)CC2)cc1 ZINC000029701966 539861458 /nfs/dbraw/zinc/86/14/58/539861458.db2.gz HRDVXUQPOWAJTH-QGZVFWFLSA-N 1 2 368.481 2.222 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCn4cccc4[C@H]3C)CC2)cc1 ZINC000029701966 539861462 /nfs/dbraw/zinc/86/14/62/539861462.db2.gz HRDVXUQPOWAJTH-QGZVFWFLSA-N 1 2 368.481 2.222 20 10 FECDLO CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176975474 546516766 /nfs/dbraw/zinc/51/67/66/546516766.db2.gz NRXDMLOQCALEAJ-UHFFFAOYSA-N 1 2 364.405 2.390 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1OC ZINC000271103574 550341029 /nfs/dbraw/zinc/34/10/29/550341029.db2.gz QJGNVEAFZLFOBP-UHFFFAOYSA-N 1 2 362.451 2.429 20 10 FECDLO O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271342498 550366799 /nfs/dbraw/zinc/36/67/99/550366799.db2.gz UMTHOTHPTADMJA-UHFFFAOYSA-N 1 2 363.421 2.034 20 10 FECDLO CCS(=O)(=O)CCCCC[N@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000276457058 550578511 /nfs/dbraw/zinc/57/85/11/550578511.db2.gz VSMWBVFDDGUZBW-UHFFFAOYSA-N 1 2 357.472 2.280 20 10 FECDLO CCS(=O)(=O)CCCCC[N@@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000276457058 550578513 /nfs/dbraw/zinc/57/85/13/550578513.db2.gz VSMWBVFDDGUZBW-UHFFFAOYSA-N 1 2 357.472 2.280 20 10 FECDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000278269953 550767382 /nfs/dbraw/zinc/76/73/82/550767382.db2.gz RKQRAEMGJKUMGR-CYBMUJFWSA-N 1 2 372.443 2.098 20 10 FECDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000278269953 550767383 /nfs/dbraw/zinc/76/73/83/550767383.db2.gz RKQRAEMGJKUMGR-CYBMUJFWSA-N 1 2 372.443 2.098 20 10 FECDLO O=C(NCc1ccc(N2CCOCC2)cc1)C1CC[NH+](CC(F)F)CC1 ZINC000280695186 551022224 /nfs/dbraw/zinc/02/22/24/551022224.db2.gz DVWNXUBHQHIMRG-UHFFFAOYSA-N 1 2 367.440 2.117 20 10 FECDLO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000287631485 552027906 /nfs/dbraw/zinc/02/79/06/552027906.db2.gz ZPXNTWIXISNDNQ-QAPCUYQASA-N 1 2 368.481 2.424 20 10 FECDLO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000298573298 553442383 /nfs/dbraw/zinc/44/23/83/553442383.db2.gz FRCMXMHVYBMGDW-UHFFFAOYSA-N 1 2 370.453 2.260 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)CCn3cc[nH+]c3)cc2F)C[C@@H](C)O1 ZINC000299681757 553601491 /nfs/dbraw/zinc/60/14/91/553601491.db2.gz SCDJHRHQBZEADM-HUUCEWRRSA-N 1 2 360.433 2.342 20 10 FECDLO Cn1nc(Br)c2c1nc[nH+]c2NCCc1ccc(O)c(O)c1 ZINC000301574876 553662653 /nfs/dbraw/zinc/66/26/53/553662653.db2.gz LXIZDYXVLOWVTC-UHFFFAOYSA-N 1 2 364.203 2.192 20 10 FECDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(F)ccc1O ZINC000361065711 554902954 /nfs/dbraw/zinc/90/29/54/554902954.db2.gz IANDFMORQDVDPL-SFHVURJKSA-N 1 2 354.385 2.161 20 10 FECDLO CCNC(=O)CCCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000362852746 554993395 /nfs/dbraw/zinc/99/33/95/554993395.db2.gz RUZIJWCUTPCZNK-UHFFFAOYSA-N 1 2 361.486 2.429 20 10 FECDLO Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[N@@H+]2C)cn1 ZINC000363176704 555046849 /nfs/dbraw/zinc/04/68/49/555046849.db2.gz LOTXLIACRQQPHR-UGSOOPFHSA-N 1 2 359.430 2.207 20 10 FECDLO Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[N@H+]2C)cn1 ZINC000363176704 555046850 /nfs/dbraw/zinc/04/68/50/555046850.db2.gz LOTXLIACRQQPHR-UGSOOPFHSA-N 1 2 359.430 2.207 20 10 FECDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000365402969 555565903 /nfs/dbraw/zinc/56/59/03/555565903.db2.gz DKTQGBXEDNZNSF-UHFFFAOYSA-N 1 2 357.370 2.095 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)Cc3ccon3)CC2)cc1 ZINC000365612279 555622036 /nfs/dbraw/zinc/62/20/36/555622036.db2.gz RCECPJWFOIWEGL-UHFFFAOYSA-N 1 2 365.455 2.114 20 10 FECDLO C[C@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1ccc(F)c(F)c1O ZINC000372619973 557522648 /nfs/dbraw/zinc/52/26/48/557522648.db2.gz OWSOCWQESGTZBV-NSHDSACASA-N 1 2 362.380 2.416 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000378606702 558592742 /nfs/dbraw/zinc/59/27/42/558592742.db2.gz MMDDEKHVRTZLJC-UHFFFAOYSA-N 1 2 373.413 2.078 20 10 FECDLO CCOC[C@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000529666033 562380521 /nfs/dbraw/zinc/38/05/21/562380521.db2.gz IZCVXGBZMNCDLW-CYBMUJFWSA-N 1 2 360.248 2.401 20 10 FECDLO CCOC[C@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000529666033 562380522 /nfs/dbraw/zinc/38/05/22/562380522.db2.gz IZCVXGBZMNCDLW-CYBMUJFWSA-N 1 2 360.248 2.401 20 10 FECDLO C[C@@H](NC(=O)NCCCSc1nccs1)[C@@H](C)[NH+]1CCOCC1 ZINC000153304943 672196440 /nfs/dbraw/zinc/19/64/40/672196440.db2.gz PFHAEKMDKRZYPZ-CHWSQXEVSA-N 1 2 358.533 2.034 20 10 FECDLO CC(C)S(=O)(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715829082 673074076 /nfs/dbraw/zinc/07/40/76/673074076.db2.gz RMACTPQNNBTMTG-UHFFFAOYSA-N 1 2 354.241 2.207 20 10 FECDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822553229 675491556 /nfs/dbraw/zinc/49/15/56/675491556.db2.gz FLISBFCSXJOLNM-IAGOWNOFSA-N 1 2 356.495 2.393 20 10 FECDLO COc1c(O)c(C[NH2+][C@@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000827715947 675774638 /nfs/dbraw/zinc/77/46/38/675774638.db2.gz RIBMFDLFBNRMBL-ZDUSSCGKSA-N 1 2 354.309 2.410 20 10 FECDLO Cc1cc(C(=O)C[N@H+](CCO)CCCO)c(C)n1-c1ccc(Cl)cn1 ZINC000827795087 675779218 /nfs/dbraw/zinc/77/92/18/675779218.db2.gz VBCFRVHVEOXNAG-UHFFFAOYSA-N 1 2 365.861 2.002 20 10 FECDLO Cc1cc(C(=O)C[N@@H+](CCO)CCCO)c(C)n1-c1ccc(Cl)cn1 ZINC000827795087 675779219 /nfs/dbraw/zinc/77/92/19/675779219.db2.gz VBCFRVHVEOXNAG-UHFFFAOYSA-N 1 2 365.861 2.002 20 10 FECDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000761226268 680715572 /nfs/dbraw/zinc/71/55/72/680715572.db2.gz NPKKMHWQQWDMEW-LLVKDONJSA-N 1 2 354.769 2.010 20 10 FECDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000761226268 680715573 /nfs/dbraw/zinc/71/55/73/680715573.db2.gz NPKKMHWQQWDMEW-LLVKDONJSA-N 1 2 354.769 2.010 20 10 FECDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCSCC3)cc2)nc[nH+]1 ZINC000840246862 680809744 /nfs/dbraw/zinc/80/97/44/680809744.db2.gz YCELJHYWHLCKRK-CQSZACIVSA-N 1 2 359.499 2.435 20 10 FECDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCSCC3)cc2)[nH+]cn1 ZINC000840246862 680809746 /nfs/dbraw/zinc/80/97/46/680809746.db2.gz YCELJHYWHLCKRK-CQSZACIVSA-N 1 2 359.499 2.435 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000781910031 681987687 /nfs/dbraw/zinc/98/76/87/681987687.db2.gz SZJYBUYRRBZCPD-UHFFFAOYSA-N 1 2 362.289 2.472 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000781910031 681987694 /nfs/dbraw/zinc/98/76/94/681987694.db2.gz SZJYBUYRRBZCPD-UHFFFAOYSA-N 1 2 362.289 2.472 20 10 FECDLO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Br)c(F)cc1O ZINC000756569537 680486017 /nfs/dbraw/zinc/48/60/17/680486017.db2.gz QJBWQWZJOONACI-MNOVXSKESA-N 1 2 360.271 2.190 20 10 FECDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCN1CC(F)F ZINC000774904508 681248446 /nfs/dbraw/zinc/24/84/46/681248446.db2.gz SSTHNXLTNNRRPW-LBPRGKRZSA-N 1 2 359.373 2.470 20 10 FECDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCN1CC(F)F ZINC000774904508 681248448 /nfs/dbraw/zinc/24/84/48/681248448.db2.gz SSTHNXLTNNRRPW-LBPRGKRZSA-N 1 2 359.373 2.470 20 10 FECDLO COCCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775644185 681320814 /nfs/dbraw/zinc/32/08/14/681320814.db2.gz GAQSJOUBKCGBEZ-CYBMUJFWSA-N 1 2 365.854 2.210 20 10 FECDLO COCCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775644185 681320820 /nfs/dbraw/zinc/32/08/20/681320820.db2.gz GAQSJOUBKCGBEZ-CYBMUJFWSA-N 1 2 365.854 2.210 20 10 FECDLO Oc1ccc(Br)cc1C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000848563238 681579054 /nfs/dbraw/zinc/57/90/54/681579054.db2.gz SKFOPSRJLZSXAU-GFCCVEGCSA-N 1 2 353.220 2.414 20 10 FECDLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NCc1ccccc1O ZINC000868950231 684561985 /nfs/dbraw/zinc/56/19/85/684561985.db2.gz JGCQEKSCSVDFHS-UHFFFAOYSA-N 1 2 358.467 2.340 20 10 FECDLO CC(=O)NCC[N@H+](Cc1ccc(C)cc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000877188928 686337918 /nfs/dbraw/zinc/33/79/18/686337918.db2.gz IMWCUDVCHCZUJR-AWEZNQCLSA-N 1 2 350.459 2.369 20 10 FECDLO CC(=O)NCC[N@@H+](Cc1ccc(C)cc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000877188928 686337924 /nfs/dbraw/zinc/33/79/24/686337924.db2.gz IMWCUDVCHCZUJR-AWEZNQCLSA-N 1 2 350.459 2.369 20 10 FECDLO Cc1ccc(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000877503252 686393573 /nfs/dbraw/zinc/39/35/73/686393573.db2.gz HKCJKDJFJZMSMR-UHFFFAOYSA-N 1 2 362.442 2.192 20 10 FECDLO Cc1ccc(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000877503252 686393576 /nfs/dbraw/zinc/39/35/76/686393576.db2.gz HKCJKDJFJZMSMR-UHFFFAOYSA-N 1 2 362.442 2.192 20 10 FECDLO O=C(NCC1C[NH+](Cc2c(O)cccc2Br)C1)C(F)(F)F ZINC000877776580 686453488 /nfs/dbraw/zinc/45/34/88/686453488.db2.gz PXBHFQDYVRDHFM-UHFFFAOYSA-N 1 2 367.165 2.265 20 10 FECDLO CO[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000880303005 687029923 /nfs/dbraw/zinc/02/99/23/687029923.db2.gz DDDKPAVFBXBBDE-INIZCTEOSA-N 1 2 359.392 2.022 20 10 FECDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000880303005 687029927 /nfs/dbraw/zinc/02/99/27/687029927.db2.gz DDDKPAVFBXBBDE-INIZCTEOSA-N 1 2 359.392 2.022 20 10 FECDLO CN(C)c1ccc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cc1 ZINC000881760997 687206957 /nfs/dbraw/zinc/20/69/57/687206957.db2.gz MUHZNGRMXJCUTC-UHFFFAOYSA-N 1 2 359.495 2.219 20 10 FECDLO CN(C)c1ccc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cc1 ZINC000881760997 687206961 /nfs/dbraw/zinc/20/69/61/687206961.db2.gz MUHZNGRMXJCUTC-UHFFFAOYSA-N 1 2 359.495 2.219 20 10 FECDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H](C)N1CCOCC1 ZINC000882986572 687540831 /nfs/dbraw/zinc/54/08/31/687540831.db2.gz CMKNYJOQXDTMHQ-GHMZBOCLSA-N 1 2 361.255 2.493 20 10 FECDLO CN(C)c1nccc(C[NH2+]Cc2cc(Br)cc(F)c2O)n1 ZINC000883083189 687559383 /nfs/dbraw/zinc/55/93/83/687559383.db2.gz CZEBICVRZIPGOY-UHFFFAOYSA-N 1 2 355.211 2.440 20 10 FECDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895250615 689684493 /nfs/dbraw/zinc/68/44/93/689684493.db2.gz ASVIWGPPVGQXHE-LLVKDONJSA-N 1 2 359.195 2.320 20 10 FECDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895250615 689684497 /nfs/dbraw/zinc/68/44/97/689684497.db2.gz ASVIWGPPVGQXHE-LLVKDONJSA-N 1 2 359.195 2.320 20 10 FECDLO Cn1nccc1[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000897567229 690040858 /nfs/dbraw/zinc/04/08/58/690040858.db2.gz HELNVYVUQUAADL-HNNXBMFYSA-N 1 2 352.232 2.462 20 10 FECDLO Cn1nccc1[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000897567229 690040862 /nfs/dbraw/zinc/04/08/62/690040862.db2.gz HELNVYVUQUAADL-HNNXBMFYSA-N 1 2 352.232 2.462 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000903236015 690873952 /nfs/dbraw/zinc/87/39/52/690873952.db2.gz XOBJLFAJCHNTTM-PGUXBMHVSA-N 1 2 362.442 2.429 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000903236014 690874127 /nfs/dbraw/zinc/87/41/27/690874127.db2.gz XOBJLFAJCHNTTM-FIXISWKDSA-N 1 2 362.442 2.429 20 10 FECDLO C[C@@H]([NH2+]CCCc1nnnn1C)c1cc(Br)cc(F)c1O ZINC000903348892 690883656 /nfs/dbraw/zinc/88/36/56/690883656.db2.gz NQIBVPKESXONEZ-MRVPVSSYSA-N 1 2 358.215 2.101 20 10 FECDLO CCOC(=O)C1(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)CC1 ZINC000073244108 541934008 /nfs/dbraw/zinc/93/40/08/541934008.db2.gz IDCKPXFKRAQGRA-UHFFFAOYSA-N 1 2 360.454 2.466 20 10 FECDLO CC[N@H+](CCS(=O)(=O)CC)Cc1cc(Br)ccc1O ZINC000076118443 542235073 /nfs/dbraw/zinc/23/50/73/542235073.db2.gz HZFSZKWMRZRCBO-UHFFFAOYSA-N 1 2 350.278 2.411 20 10 FECDLO CC[N@@H+](CCS(=O)(=O)CC)Cc1cc(Br)ccc1O ZINC000076118443 542235075 /nfs/dbraw/zinc/23/50/75/542235075.db2.gz HZFSZKWMRZRCBO-UHFFFAOYSA-N 1 2 350.278 2.411 20 10 FECDLO COc1ccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000053778635 136125091 /nfs/dbraw/zinc/12/50/91/136125091.db2.gz ISQUIVJGSZLYPC-UHFFFAOYSA-N 1 2 370.409 2.025 20 10 FECDLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000108144847 543283269 /nfs/dbraw/zinc/28/32/69/543283269.db2.gz IOFNPUNBWZVMQP-MVWSPQEZSA-N 1 2 354.410 2.468 20 10 FECDLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000108144847 543283272 /nfs/dbraw/zinc/28/32/72/543283272.db2.gz IOFNPUNBWZVMQP-MVWSPQEZSA-N 1 2 354.410 2.468 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000134359995 544304780 /nfs/dbraw/zinc/30/47/80/544304780.db2.gz IWLKTXMUYITNST-AWEZNQCLSA-N 1 2 374.890 2.150 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000134359995 544304782 /nfs/dbraw/zinc/30/47/82/544304782.db2.gz IWLKTXMUYITNST-AWEZNQCLSA-N 1 2 374.890 2.150 20 10 FECDLO CCc1ccc(/C=C2/SC(=S)N(CC[NH+]3CCOCC3)C2=O)o1 ZINC000155371899 545518740 /nfs/dbraw/zinc/51/87/40/545518740.db2.gz IZCPHPCRPBOXIA-SDNWHVSQSA-N 1 2 352.481 2.375 20 10 FECDLO CCC(CC)[C@H](C(=O)NCc1cccc(OC)c1O)[NH+]1CCOCC1 ZINC000175930747 546374095 /nfs/dbraw/zinc/37/40/95/546374095.db2.gz JDYOYECPDHMLIJ-QGZVFWFLSA-N 1 2 350.459 2.154 20 10 FECDLO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000182215239 547454989 /nfs/dbraw/zinc/45/49/89/547454989.db2.gz FBRQTDAKBHHYIY-UHFFFAOYSA-N 1 2 368.833 2.400 20 10 FECDLO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4[nH]nnc4c3)c2)CC1 ZINC000187399190 548257733 /nfs/dbraw/zinc/25/77/33/548257733.db2.gz SOSPYCYPZQVNBP-UHFFFAOYSA-N 1 2 350.426 2.352 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1OC ZINC000271710563 550396706 /nfs/dbraw/zinc/39/67/06/550396706.db2.gz GUMVPMBLPUFZHG-UHFFFAOYSA-N 1 2 372.421 2.073 20 10 FECDLO CC(=O)NCC[N@H+](Cc1cc(F)ccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272844760 550473140 /nfs/dbraw/zinc/47/31/40/550473140.db2.gz IYAYYLMDKWMNIK-GFCCVEGCSA-N 1 2 354.422 2.200 20 10 FECDLO CC(=O)NCC[N@@H+](Cc1cc(F)ccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272844760 550473142 /nfs/dbraw/zinc/47/31/42/550473142.db2.gz IYAYYLMDKWMNIK-GFCCVEGCSA-N 1 2 354.422 2.200 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000278141843 550753715 /nfs/dbraw/zinc/75/37/15/550753715.db2.gz AYSKACXYMFZURW-UHFFFAOYSA-N 1 2 373.409 2.332 20 10 FECDLO COc1c(O)c(CN2CC[NH+](Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000278141843 550753717 /nfs/dbraw/zinc/75/37/17/550753717.db2.gz AYSKACXYMFZURW-UHFFFAOYSA-N 1 2 373.409 2.332 20 10 FECDLO COc1c(O)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209964 550761129 /nfs/dbraw/zinc/76/11/29/550761129.db2.gz KEGLRJPNAXPUFA-OCCSQVGLSA-N 1 2 372.443 2.097 20 10 FECDLO COc1c(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209964 550761130 /nfs/dbraw/zinc/76/11/30/550761130.db2.gz KEGLRJPNAXPUFA-OCCSQVGLSA-N 1 2 372.443 2.097 20 10 FECDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278382463 550779239 /nfs/dbraw/zinc/77/92/39/550779239.db2.gz LXYPWWXJUVOSGW-QKCSRTOESA-N 1 2 350.371 2.083 20 10 FECDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278382463 550779241 /nfs/dbraw/zinc/77/92/41/550779241.db2.gz LXYPWWXJUVOSGW-QKCSRTOESA-N 1 2 350.371 2.083 20 10 FECDLO O=C(NCc1ccccc1O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299527058 553575751 /nfs/dbraw/zinc/57/57/51/553575751.db2.gz RLMSIPAIZZEGPK-GOSISDBHSA-N 1 2 355.438 2.265 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)CNC(=O)C(C)(C)C)CC2)cc1 ZINC000364503309 555325359 /nfs/dbraw/zinc/32/53/59/555325359.db2.gz ZSGHYDOSRPMACE-UHFFFAOYSA-N 1 2 361.486 2.285 20 10 FECDLO C[C@H]([C@H](C)NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[NH+]1CCOCC1 ZINC000364941231 555444807 /nfs/dbraw/zinc/44/48/07/555444807.db2.gz FJRPJDAZDRGAKU-DLBZAZTESA-N 1 2 372.513 2.270 20 10 FECDLO COC(=O)NCCCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000369111447 556507630 /nfs/dbraw/zinc/50/76/30/556507630.db2.gz PGODVYLKHPLZCS-UHFFFAOYSA-N 1 2 363.458 2.259 20 10 FECDLO COCCn1ccc(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)n1 ZINC000369917588 556729588 /nfs/dbraw/zinc/72/95/88/556729588.db2.gz DVZAWEVESHKNHT-UHFFFAOYSA-N 1 2 372.469 2.279 20 10 FECDLO Cc1[nH+]c2n(c1C)CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000370965584 557029953 /nfs/dbraw/zinc/02/99/53/557029953.db2.gz AMMYLZGTJRXLOX-VMPITWQZSA-N 1 2 366.465 2.392 20 10 FECDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)no1 ZINC000372548920 557500475 /nfs/dbraw/zinc/50/04/75/557500475.db2.gz WGVKHJVPBVWJBQ-CQSZACIVSA-N 1 2 374.441 2.224 20 10 FECDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)no1 ZINC000372548920 557500478 /nfs/dbraw/zinc/50/04/78/557500478.db2.gz WGVKHJVPBVWJBQ-CQSZACIVSA-N 1 2 374.441 2.224 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(F)c(F)c1O ZINC000372665041 557532575 /nfs/dbraw/zinc/53/25/75/557532575.db2.gz YPKFHVSUKFWDFK-YMNVWFMLSA-N 1 2 353.369 2.042 20 10 FECDLO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000372872537 557579684 /nfs/dbraw/zinc/57/96/84/557579684.db2.gz VUYANKBZBJLLMC-VGTOOOLASA-N 1 2 364.396 2.274 20 10 FECDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000376020569 558115134 /nfs/dbraw/zinc/11/51/34/558115134.db2.gz GREXCEVUSODMMG-SUMWQHHRSA-N 1 2 352.387 2.079 20 10 FECDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000376020569 558115136 /nfs/dbraw/zinc/11/51/36/558115136.db2.gz GREXCEVUSODMMG-SUMWQHHRSA-N 1 2 352.387 2.079 20 10 FECDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377988353 558458659 /nfs/dbraw/zinc/45/86/59/558458659.db2.gz PENQVSJDBUWRIE-GFCCVEGCSA-N 1 2 360.801 2.090 20 10 FECDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377988353 558458662 /nfs/dbraw/zinc/45/86/62/558458662.db2.gz PENQVSJDBUWRIE-GFCCVEGCSA-N 1 2 360.801 2.090 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000471829907 561012647 /nfs/dbraw/zinc/01/26/47/561012647.db2.gz GQWISKYIXPWJOS-HOTGVXAUSA-N 1 2 358.486 2.395 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1C(C)C ZINC000530103070 562398290 /nfs/dbraw/zinc/39/82/90/562398290.db2.gz SFNLNFGMOBIJRT-UHFFFAOYSA-N 1 2 352.500 2.434 20 10 FECDLO Oc1cc2c(cc1C[NH+]1CCN(CC(F)(F)C(F)F)CC1)OCO2 ZINC000153191242 672194531 /nfs/dbraw/zinc/19/45/31/672194531.db2.gz YBTBXJORIFULBT-UHFFFAOYSA-N 1 2 350.312 2.139 20 10 FECDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000825514958 675657020 /nfs/dbraw/zinc/65/70/20/675657020.db2.gz VCFHGOMFNWSZDW-UHFFFAOYSA-N 1 2 367.222 2.406 20 10 FECDLO COCCC[N@H+](Cc1c(O)cc(C)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000840909221 680852060 /nfs/dbraw/zinc/85/20/60/680852060.db2.gz CQQPNEPUAROEEL-CYBMUJFWSA-N 1 2 361.891 2.380 20 10 FECDLO COCCC[N@@H+](Cc1c(O)cc(C)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000840909221 680852063 /nfs/dbraw/zinc/85/20/63/680852063.db2.gz CQQPNEPUAROEEL-CYBMUJFWSA-N 1 2 361.891 2.380 20 10 FECDLO CNC(=O)Cc1nc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)cs1 ZINC000844401254 681056728 /nfs/dbraw/zinc/05/67/28/681056728.db2.gz LDNVXILNAJERQJ-UHFFFAOYSA-N 1 2 362.499 2.008 20 10 FECDLO CNC(=O)Cc1nc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)cs1 ZINC000844401254 681056729 /nfs/dbraw/zinc/05/67/29/681056729.db2.gz LDNVXILNAJERQJ-UHFFFAOYSA-N 1 2 362.499 2.008 20 10 FECDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000776017357 681356750 /nfs/dbraw/zinc/35/67/50/681356750.db2.gz MMWISBTWBDIMBO-ZDUSSCGKSA-N 1 2 352.431 2.126 20 10 FECDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000776017357 681356755 /nfs/dbraw/zinc/35/67/55/681356755.db2.gz MMWISBTWBDIMBO-ZDUSSCGKSA-N 1 2 352.431 2.126 20 10 FECDLO C[C@@H]([NH2+][C@@H]1CNOC1)c1cc(Br)cc(Br)c1O ZINC000925861961 683045322 /nfs/dbraw/zinc/04/53/22/683045322.db2.gz JSFAZAIMDCLKOQ-HTRCEHHLSA-N 1 2 366.053 2.471 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1OC ZINC000872753045 685012927 /nfs/dbraw/zinc/01/29/27/685012927.db2.gz IPFBCEBXTWTUKE-OAHLLOKOSA-N 1 2 362.348 2.052 20 10 FECDLO COc1cc(O)c(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1OC ZINC000872753045 685012930 /nfs/dbraw/zinc/01/29/30/685012930.db2.gz IPFBCEBXTWTUKE-OAHLLOKOSA-N 1 2 362.348 2.052 20 10 FECDLO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CS1(=O)=O ZINC000883169655 687581328 /nfs/dbraw/zinc/58/13/28/687581328.db2.gz ACJZYWXJFWPXFZ-LDYMZIIASA-N 1 2 366.252 2.349 20 10 FECDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c(O)c1OC ZINC000891745456 689100245 /nfs/dbraw/zinc/10/02/45/689100245.db2.gz BAUORSPJSNJJMZ-UHFFFAOYSA-N 1 2 362.451 2.429 20 10 FECDLO O=C1NCCN1C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893865900 689420002 /nfs/dbraw/zinc/42/00/02/689420002.db2.gz LHEWMZYHRSQLHW-UHFFFAOYSA-N 1 2 372.238 2.283 20 10 FECDLO C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602699 689742489 /nfs/dbraw/zinc/74/24/89/689742489.db2.gz BRBRKTWQWRBCFD-RWMBFGLXSA-N 1 2 355.866 2.343 20 10 FECDLO C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602699 689742492 /nfs/dbraw/zinc/74/24/92/689742492.db2.gz BRBRKTWQWRBCFD-RWMBFGLXSA-N 1 2 355.866 2.343 20 10 FECDLO CN(C)c1ccc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000897618254 690049920 /nfs/dbraw/zinc/04/99/20/690049920.db2.gz OLXPRXLJXZIELZ-BETUJISGSA-N 1 2 362.417 2.248 20 10 FECDLO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000897618254 690049924 /nfs/dbraw/zinc/04/99/24/690049924.db2.gz OLXPRXLJXZIELZ-BETUJISGSA-N 1 2 362.417 2.248 20 10 FECDLO COc1ccc(N2CCC(N(C)C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000066149289 541284882 /nfs/dbraw/zinc/28/48/82/541284882.db2.gz AZKIQHOOIQJDPP-UHFFFAOYSA-N 1 2 357.458 2.202 20 10 FECDLO C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1n1cc[nH+]c1 ZINC000131489158 544192041 /nfs/dbraw/zinc/19/20/41/544192041.db2.gz RZAZCWRSZXXSHG-NHYWBVRUSA-N 1 2 357.370 2.210 20 10 FECDLO COc1cc(N2CC[NH+]([C@@H](C)c3nnc(C)o3)CC2)cc(OC)c1OC ZINC000183702872 547704636 /nfs/dbraw/zinc/70/46/36/547704636.db2.gz NJHRQVKKOSFLBY-LBPRGKRZSA-N 1 2 362.430 2.287 20 10 FECDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273414887 550497998 /nfs/dbraw/zinc/49/79/98/550497998.db2.gz QQDHDOBMPILXGA-LBPRGKRZSA-N 1 2 350.396 2.425 20 10 FECDLO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O ZINC000276861526 550604233 /nfs/dbraw/zinc/60/42/33/550604233.db2.gz CORLCQSONBLDEU-MNOVXSKESA-N 1 2 367.348 2.490 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278571825 550800072 /nfs/dbraw/zinc/80/00/72/550800072.db2.gz CVWGVPQEVBLNDT-JTQLQIEISA-N 1 2 363.336 2.377 20 10 FECDLO COc1c(O)c(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278571825 550800073 /nfs/dbraw/zinc/80/00/73/550800073.db2.gz CVWGVPQEVBLNDT-JTQLQIEISA-N 1 2 363.336 2.377 20 10 FECDLO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000285780428 551809603 /nfs/dbraw/zinc/80/96/03/551809603.db2.gz UPZIIMCMIQMTKO-YGRLFVJLSA-N 1 2 363.336 2.214 20 10 FECDLO CCOCc1nc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)no1 ZINC000291010565 552575864 /nfs/dbraw/zinc/57/58/64/552575864.db2.gz WUUPPEPPEZDYEK-VIFPVBQESA-N 1 2 352.347 2.079 20 10 FECDLO CN(C)c1ccc(C[NH2+][C@H](C(N)=O)c2ccccn2)c(C(F)(F)F)c1 ZINC000294692632 552927161 /nfs/dbraw/zinc/92/71/61/552927161.db2.gz BUKAZXKADKAOBS-HNNXBMFYSA-N 1 2 352.360 2.483 20 10 FECDLO C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1n1cc[nH+]c1 ZINC000301679315 553671185 /nfs/dbraw/zinc/67/11/85/553671185.db2.gz RZAZCWRSZXXSHG-IAQYHMDHSA-N 1 2 357.370 2.210 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC000363630822 555150659 /nfs/dbraw/zinc/15/06/59/555150659.db2.gz AIGQJNVNMAKFPP-QGZVFWFLSA-N 1 2 373.497 2.381 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)N3CCC[C@@H]3C)CC2)cc1 ZINC000364220460 555272777 /nfs/dbraw/zinc/27/27/77/555272777.db2.gz UQOUJPMLEIAPOE-HNNXBMFYSA-N 1 2 367.515 2.325 20 10 FECDLO CN(C)c1ccc(C2=CC[N@H+](CC(=O)Nc3ccccc3C(N)=O)C2)cc1 ZINC000374322747 557865408 /nfs/dbraw/zinc/86/54/08/557865408.db2.gz FSWSEKWIELQKLJ-UHFFFAOYSA-N 1 2 364.449 2.189 20 10 FECDLO CN(C)c1ccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)C2)cc1 ZINC000374322747 557865410 /nfs/dbraw/zinc/86/54/10/557865410.db2.gz FSWSEKWIELQKLJ-UHFFFAOYSA-N 1 2 364.449 2.189 20 10 FECDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCSc1nccs1 ZINC000806959553 674398249 /nfs/dbraw/zinc/39/82/49/674398249.db2.gz WXSWNZOPMOEWCA-UONOGXRCSA-N 1 2 370.544 2.130 20 10 FECDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000808212457 674447130 /nfs/dbraw/zinc/44/71/30/674447130.db2.gz HUCFQKKPRNJPIC-AWEZNQCLSA-N 1 2 351.443 2.462 20 10 FECDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000808212457 674447132 /nfs/dbraw/zinc/44/71/32/674447132.db2.gz HUCFQKKPRNJPIC-AWEZNQCLSA-N 1 2 351.443 2.462 20 10 FECDLO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708138459 673064927 /nfs/dbraw/zinc/06/49/27/673064927.db2.gz NNIGGUOCWYPMHX-SNVBAGLBSA-N 1 2 368.680 2.475 20 10 FECDLO CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1O)CS(C)(=O)=O ZINC000723881707 673086943 /nfs/dbraw/zinc/08/69/43/673086943.db2.gz CZTMAMIUCPMECH-UHFFFAOYSA-N 1 2 368.268 2.454 20 10 FECDLO Cc1ncccc1/C=C1/SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000728982799 673217705 /nfs/dbraw/zinc/21/77/05/673217705.db2.gz OVYUNSUFYZCEBQ-NTCAYCPXSA-N 1 2 363.508 2.314 20 10 FECDLO Cn1cc(CN2CC[NH+](Cc3ccc(Br)cc3O)CC2)cn1 ZINC000824693921 675616658 /nfs/dbraw/zinc/61/66/58/675616658.db2.gz KEKCTLSOPSKQPW-UHFFFAOYSA-N 1 2 365.275 2.206 20 10 FECDLO O=S1(=O)CCCN1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000840954209 680856811 /nfs/dbraw/zinc/85/68/11/680856811.db2.gz ILNJVGCITIYFTL-UHFFFAOYSA-N 1 2 362.854 2.185 20 10 FECDLO O=S1(=O)CCCN1C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000840955390 680857008 /nfs/dbraw/zinc/85/70/08/680857008.db2.gz UOGMPTNXAQGBLA-UHFFFAOYSA-N 1 2 362.854 2.185 20 10 FECDLO COCCOCC[NH+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000844468532 681060926 /nfs/dbraw/zinc/06/09/26/681060926.db2.gz VGVTUTTZJQXBKF-UHFFFAOYSA-N 1 2 370.877 2.029 20 10 FECDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776001698 681355784 /nfs/dbraw/zinc/35/57/84/681355784.db2.gz QQZKJQBJKPGRKU-RDTXWAMCSA-N 1 2 350.434 2.436 20 10 FECDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776001698 681355786 /nfs/dbraw/zinc/35/57/86/681355786.db2.gz QQZKJQBJKPGRKU-RDTXWAMCSA-N 1 2 350.434 2.436 20 10 FECDLO C[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850540579 681913529 /nfs/dbraw/zinc/91/35/29/681913529.db2.gz NDUALGBCFIFKEZ-NSHDSACASA-N 1 2 364.446 2.069 20 10 FECDLO CN(C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1)S(C)(=O)=O ZINC000792164501 682792977 /nfs/dbraw/zinc/79/29/77/682792977.db2.gz JLMHNBBXEGZIIG-UHFFFAOYSA-N 1 2 350.843 2.041 20 10 FECDLO C[C@H]([NH2+][C@H]1CNOC1)c1cc(Br)cc(Br)c1O ZINC000925869337 683045749 /nfs/dbraw/zinc/04/57/49/683045749.db2.gz JSFAZAIMDCLKOQ-XPUUQOCRSA-N 1 2 366.053 2.471 20 10 FECDLO C[C@]12C[N@H+](Cc3c(O)cccc3Br)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877813589 686469807 /nfs/dbraw/zinc/46/98/07/686469807.db2.gz MSRMJTZBTKNIOQ-GASCZTMLSA-N 1 2 374.300 2.411 20 10 FECDLO C[C@]12C[N@@H+](Cc3c(O)cccc3Br)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877813589 686469812 /nfs/dbraw/zinc/46/98/12/686469812.db2.gz MSRMJTZBTKNIOQ-GASCZTMLSA-N 1 2 374.300 2.411 20 10 FECDLO CC(C)N1CC[NH+](CCCC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890761462 688962987 /nfs/dbraw/zinc/96/29/87/688962987.db2.gz STJHCJUHZSHHCF-UHFFFAOYSA-N 1 2 353.894 2.468 20 10 FECDLO O=C1N=NCN1C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894611210 689565390 /nfs/dbraw/zinc/56/53/90/689565390.db2.gz LAPLYLKIZVOYTK-UHFFFAOYSA-N 1 2 371.210 2.428 20 10 FECDLO CC1(C)[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CS1(=O)=O ZINC000895986637 689803502 /nfs/dbraw/zinc/80/35/02/689803502.db2.gz VOXXEAIWZMGQJN-JTQLQIEISA-N 1 2 368.680 2.473 20 10 FECDLO Cn1nccc1[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000897567230 690040843 /nfs/dbraw/zinc/04/08/43/690040843.db2.gz HELNVYVUQUAADL-OAHLLOKOSA-N 1 2 352.232 2.462 20 10 FECDLO Cn1nccc1[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000897567230 690040847 /nfs/dbraw/zinc/04/08/47/690040847.db2.gz HELNVYVUQUAADL-OAHLLOKOSA-N 1 2 352.232 2.462 20 10 FECDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000898401375 690176863 /nfs/dbraw/zinc/17/68/63/690176863.db2.gz QANCSZWQZBTWBO-DEOSSOPVSA-N 1 2 361.458 2.457 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000903236017 690873980 /nfs/dbraw/zinc/87/39/80/690873980.db2.gz XOBJLFAJCHNTTM-ZIBATOQPSA-N 1 2 362.442 2.429 20 10 FECDLO O=C(C[NH+]1Cc2ccccc2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000106303466 543222430 /nfs/dbraw/zinc/22/24/30/543222430.db2.gz ZPIIFOQYTYPQRN-UHFFFAOYSA-N 1 2 369.440 2.294 20 10 FECDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000136022622 544365230 /nfs/dbraw/zinc/36/52/30/544365230.db2.gz OTOVGWOJMBCSRF-CRAIPNDOSA-N 1 2 355.438 2.359 20 10 FECDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157698 548318930 /nfs/dbraw/zinc/31/89/30/548318930.db2.gz KDICTWLDCFKXPE-ROUUACIJSA-N 1 2 358.442 2.177 20 10 FECDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157698 548318935 /nfs/dbraw/zinc/31/89/35/548318935.db2.gz KDICTWLDCFKXPE-ROUUACIJSA-N 1 2 358.442 2.177 20 10 FECDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264354269 549994385 /nfs/dbraw/zinc/99/43/85/549994385.db2.gz MWPBTCHSPNOPDG-KRWDZBQOSA-N 1 2 373.545 2.063 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3csnc3C)CC2)cc1 ZINC000272947284 550477606 /nfs/dbraw/zinc/47/76/06/550477606.db2.gz UDFNEPORXLRQTP-UHFFFAOYSA-N 1 2 360.483 2.012 20 10 FECDLO Cc1cc(N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)nc(C(C)C)[nH+]1 ZINC000276757969 550592515 /nfs/dbraw/zinc/59/25/15/550592515.db2.gz WTLSQPLNKJQRAW-UHFFFAOYSA-N 1 2 374.416 2.421 20 10 FECDLO COCCCn1nccc1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000282825642 551274584 /nfs/dbraw/zinc/27/45/84/551274584.db2.gz PWBCCJAIPSPRMF-UHFFFAOYSA-N 1 2 362.449 2.390 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3c(C)nsc3C)CC2)cc1 ZINC000292280367 552711834 /nfs/dbraw/zinc/71/18/34/552711834.db2.gz OOBQWXBJPBCLTN-UHFFFAOYSA-N 1 2 374.510 2.321 20 10 FECDLO NC(=O)c1ccc(N2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)nc1 ZINC000295220176 552971098 /nfs/dbraw/zinc/97/10/98/552971098.db2.gz BPLPXWYOGUZOQI-UHFFFAOYSA-N 1 2 364.808 2.001 20 10 FECDLO COc1cc([N+](=O)[O-])c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc1OC ZINC000302609229 553722935 /nfs/dbraw/zinc/72/29/35/553722935.db2.gz AJJDMDLVQHAQFQ-INIZCTEOSA-N 1 2 362.386 2.285 20 10 FECDLO C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000302888653 553740719 /nfs/dbraw/zinc/74/07/19/553740719.db2.gz MSQWRSRRSUBUQF-INIZCTEOSA-N 1 2 369.469 2.323 20 10 FECDLO C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(N2CCOCC2)cc1 ZINC000302888653 553740720 /nfs/dbraw/zinc/74/07/20/553740720.db2.gz MSQWRSRRSUBUQF-INIZCTEOSA-N 1 2 369.469 2.323 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C(C)=O)CC2)cc1 ZINC000363333484 555079994 /nfs/dbraw/zinc/07/99/94/555079994.db2.gz JJMJWVKBQNVTDX-IBGZPJMESA-N 1 2 359.470 2.133 20 10 FECDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364303799 555287887 /nfs/dbraw/zinc/28/78/87/555287887.db2.gz NZQVOPFSVKAEMJ-GOEBONIOSA-N 1 2 355.438 2.457 20 10 FECDLO COc1c(O)c(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000365796311 555669231 /nfs/dbraw/zinc/66/92/31/555669231.db2.gz PDJIOAMNXBFALB-NSHDSACASA-N 1 2 361.402 2.478 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000365885224 555692580 /nfs/dbraw/zinc/69/25/80/555692580.db2.gz LUBANCSNUCXVPA-AWEZNQCLSA-N 1 2 351.834 2.238 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000365885224 555692582 /nfs/dbraw/zinc/69/25/82/555692582.db2.gz LUBANCSNUCXVPA-AWEZNQCLSA-N 1 2 351.834 2.238 20 10 FECDLO COC(=O)[C@H]1CC[C@@H]1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000367543505 556078392 /nfs/dbraw/zinc/07/83/92/556078392.db2.gz CJNJHZDJUKBQDK-ROUUACIJSA-N 1 2 360.454 2.322 20 10 FECDLO COC(=O)[C@H]1CC[C@H]1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000367543503 556078577 /nfs/dbraw/zinc/07/85/77/556078577.db2.gz CJNJHZDJUKBQDK-MSOLQXFVSA-N 1 2 360.454 2.322 20 10 FECDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000375355705 558014533 /nfs/dbraw/zinc/01/45/33/558014533.db2.gz PKYKVRHBJWOFIU-UHFFFAOYSA-N 1 2 359.495 2.219 20 10 FECDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000375355705 558014534 /nfs/dbraw/zinc/01/45/34/558014534.db2.gz PKYKVRHBJWOFIU-UHFFFAOYSA-N 1 2 359.495 2.219 20 10 FECDLO CCOC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)o1 ZINC000809742818 674508262 /nfs/dbraw/zinc/50/82/62/674508262.db2.gz FUVQVUNJFRVJJG-UHFFFAOYSA-N 1 2 350.327 2.369 20 10 FECDLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)C1CC1 ZINC000809784807 674509802 /nfs/dbraw/zinc/50/98/02/674509802.db2.gz NPVNNUNYAITFDN-LBPRGKRZSA-N 1 2 358.891 2.339 20 10 FECDLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)C1CC1 ZINC000809784807 674509804 /nfs/dbraw/zinc/50/98/04/674509804.db2.gz NPVNNUNYAITFDN-LBPRGKRZSA-N 1 2 358.891 2.339 20 10 FECDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)S(C)(=O)=O ZINC000708176351 673064966 /nfs/dbraw/zinc/06/49/66/673064966.db2.gz GAXNNQXPMOIMKQ-ZETCQYMHSA-N 1 2 356.669 2.331 20 10 FECDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000762795270 680761830 /nfs/dbraw/zinc/76/18/30/680761830.db2.gz SKIOIEPXMVPNMO-LBPRGKRZSA-N 1 2 368.796 2.400 20 10 FECDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000762795270 680761831 /nfs/dbraw/zinc/76/18/31/680761831.db2.gz SKIOIEPXMVPNMO-LBPRGKRZSA-N 1 2 368.796 2.400 20 10 FECDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840909994 680852291 /nfs/dbraw/zinc/85/22/91/680852291.db2.gz JHRWJSYEMAMEST-CQSZACIVSA-N 1 2 353.894 2.386 20 10 FECDLO CC(C)(CC[NH2+]Cc1cccc(Br)c1O)S(C)(=O)=O ZINC000840961032 680857279 /nfs/dbraw/zinc/85/72/79/680857279.db2.gz ZPNRGTKCZJUKIZ-UHFFFAOYSA-N 1 2 350.278 2.458 20 10 FECDLO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000756536976 680483461 /nfs/dbraw/zinc/48/34/61/680483461.db2.gz YBCKIGQQGJDJBN-QMMMGPOBSA-N 1 2 354.241 2.379 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCCCS3)CC2)cc1 ZINC000783047133 682106908 /nfs/dbraw/zinc/10/69/08/682106908.db2.gz QLRSOIPIOOLSIC-GOSISDBHSA-N 1 2 363.527 2.219 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000877795012 686465103 /nfs/dbraw/zinc/46/51/03/686465103.db2.gz ZUGJLRHSYABVOU-WCQYABFASA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000877795012 686465105 /nfs/dbraw/zinc/46/51/05/686465105.db2.gz ZUGJLRHSYABVOU-WCQYABFASA-N 1 2 374.300 2.330 20 10 FECDLO C[C@H]([C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O)N1CCOCC1 ZINC000882986575 687540714 /nfs/dbraw/zinc/54/07/14/687540714.db2.gz CMKNYJOQXDTMHQ-WDEREUQCSA-N 1 2 361.255 2.493 20 10 FECDLO NC(=O)C1(N2CCCCC2)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000895554246 689734739 /nfs/dbraw/zinc/73/47/39/689734739.db2.gz UGVZHURWSULIAE-UHFFFAOYSA-N 1 2 351.878 2.351 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000048241274 540352942 /nfs/dbraw/zinc/35/29/42/540352942.db2.gz AQIGVBIKSDGPPB-UHFFFAOYSA-N 1 2 369.513 2.357 20 10 FECDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000108144850 543283187 /nfs/dbraw/zinc/28/31/87/543283187.db2.gz IOFNPUNBWZVMQP-CKVSNKFESA-N 1 2 354.410 2.468 20 10 FECDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000108144850 543283188 /nfs/dbraw/zinc/28/31/88/543283188.db2.gz IOFNPUNBWZVMQP-CKVSNKFESA-N 1 2 354.410 2.468 20 10 FECDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1ccc(N)cc1 ZINC000168164209 546158148 /nfs/dbraw/zinc/15/81/48/546158148.db2.gz VBJJKQWMGZBEHP-QGZVFWFLSA-N 1 2 359.495 2.405 20 10 FECDLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(F)c(F)c3O)C2=O)n(C)n1 ZINC000187791108 548264361 /nfs/dbraw/zinc/26/43/61/548264361.db2.gz HLRFPVRHKSOOLD-GXFFZTMASA-N 1 2 350.369 2.168 20 10 FECDLO CCOC1CC(C[NH2+]Cc2cccc(Cl)c2O)(N2CCOCC2)C1 ZINC000195092744 548575759 /nfs/dbraw/zinc/57/57/59/548575759.db2.gz CCVVWXVCLLTEHY-UHFFFAOYSA-N 1 2 354.878 2.405 20 10 FECDLO COc1ccc(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000248155659 549412341 /nfs/dbraw/zinc/41/23/41/549412341.db2.gz YSFNHWASNVERDC-UHFFFAOYSA-N 1 2 363.421 2.238 20 10 FECDLO COc1c(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278242832 550764384 /nfs/dbraw/zinc/76/43/84/550764384.db2.gz OEKUGHXBVMUBOP-GFCCVEGCSA-N 1 2 367.402 2.408 20 10 FECDLO COc1c(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278242832 550764385 /nfs/dbraw/zinc/76/43/85/550764385.db2.gz OEKUGHXBVMUBOP-GFCCVEGCSA-N 1 2 367.402 2.408 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000278529234 550795623 /nfs/dbraw/zinc/79/56/23/550795623.db2.gz UOHSFTIPBFOUDO-UHFFFAOYSA-N 1 2 373.413 2.038 20 10 FECDLO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3nc(N)n(C)n3)cc2)CC1 ZINC000295152367 552964118 /nfs/dbraw/zinc/96/41/18/552964118.db2.gz GCPUHUDXRYLHPV-SFHVURJKSA-N 1 2 370.501 2.350 20 10 FECDLO COC1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3nc(N)n(C)n3)cc2)CC1 ZINC000295152367 552964119 /nfs/dbraw/zinc/96/41/19/552964119.db2.gz GCPUHUDXRYLHPV-SFHVURJKSA-N 1 2 370.501 2.350 20 10 FECDLO C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[NH+]1CCN(C)CC1 ZINC000299688492 553601538 /nfs/dbraw/zinc/60/15/38/553601538.db2.gz TWGWEPNRILREFK-GOSISDBHSA-N 1 2 358.530 2.271 20 10 FECDLO C[C@H]1CN(c2ccc(CNC(=O)CCn3cc[nH+]c3)cc2F)C[C@H](C)O1 ZINC000299681754 553601855 /nfs/dbraw/zinc/60/18/55/553601855.db2.gz SCDJHRHQBZEADM-GJZGRUSLSA-N 1 2 360.433 2.342 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)cc1OC ZINC000371444010 557189332 /nfs/dbraw/zinc/18/93/32/557189332.db2.gz VEYOFGFHLZEDHB-HNNXBMFYSA-N 1 2 361.442 2.333 20 10 FECDLO COc1cc(O)c(C[N@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)cc1OC ZINC000371444010 557189337 /nfs/dbraw/zinc/18/93/37/557189337.db2.gz VEYOFGFHLZEDHB-HNNXBMFYSA-N 1 2 361.442 2.333 20 10 FECDLO COc1ccc(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c(O)c1 ZINC000375677193 558066292 /nfs/dbraw/zinc/06/62/92/558066292.db2.gz IEGNLIKUTOOHNW-OAHLLOKOSA-N 1 2 356.426 2.264 20 10 FECDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCCOC2)O1 ZINC000376029304 558116347 /nfs/dbraw/zinc/11/63/47/558116347.db2.gz NRNNTNUGBMVLKQ-RDTXWAMCSA-N 1 2 366.414 2.469 20 10 FECDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCCOC2)O1 ZINC000376029304 558116348 /nfs/dbraw/zinc/11/63/48/558116348.db2.gz NRNNTNUGBMVLKQ-RDTXWAMCSA-N 1 2 366.414 2.469 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000471802946 561012208 /nfs/dbraw/zinc/01/22/08/561012208.db2.gz DVLCJRLLQYJTNC-UHFFFAOYSA-N 1 2 358.486 2.397 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000471802946 561012209 /nfs/dbraw/zinc/01/22/09/561012209.db2.gz DVLCJRLLQYJTNC-UHFFFAOYSA-N 1 2 358.486 2.397 20 10 FECDLO COc1ccc(N(Cc2cccs2)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000157305168 672257261 /nfs/dbraw/zinc/25/72/61/672257261.db2.gz XKPNQPYLDWDOSS-KRWDZBQOSA-N 1 2 362.495 2.456 20 10 FECDLO CNC(=O)CC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000827661887 675771560 /nfs/dbraw/zinc/77/15/60/675771560.db2.gz UXHCWQIIIMDODZ-UHFFFAOYSA-N 1 2 362.861 2.393 20 10 FECDLO CNC(=O)CC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000827661887 675771562 /nfs/dbraw/zinc/77/15/62/675771562.db2.gz UXHCWQIIIMDODZ-UHFFFAOYSA-N 1 2 362.861 2.393 20 10 FECDLO C[C@@H](O)CNc1cc(NCc2cc(Br)ccc2O)nc[nH+]1 ZINC000840306866 680813860 /nfs/dbraw/zinc/81/38/60/680813860.db2.gz YFLHIAWLGLIWJN-SECBINFHSA-N 1 2 353.220 2.350 20 10 FECDLO C[C@@H](O)CNc1cc(NCc2cc(Br)ccc2O)[nH+]cn1 ZINC000840306866 680813861 /nfs/dbraw/zinc/81/38/61/680813861.db2.gz YFLHIAWLGLIWJN-SECBINFHSA-N 1 2 353.220 2.350 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840910351 680852131 /nfs/dbraw/zinc/85/21/31/680852131.db2.gz RNBUHRDSRBHLQM-UHFFFAOYSA-N 1 2 351.878 2.094 20 10 FECDLO COCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750037232 680097229 /nfs/dbraw/zinc/09/72/29/680097229.db2.gz XHDDSLFZQLAJHF-UHFFFAOYSA-N 1 2 368.861 2.223 20 10 FECDLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3=CC(=O)CS3)C2)cc(OC)c1 ZINC000755863476 680440727 /nfs/dbraw/zinc/44/07/27/680440727.db2.gz AQNITYNPAFOUGR-CYBMUJFWSA-N 1 2 362.451 2.475 20 10 FECDLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3=CC(=O)CS3)C2)cc(OC)c1 ZINC000755863476 680440729 /nfs/dbraw/zinc/44/07/29/680440729.db2.gz AQNITYNPAFOUGR-CYBMUJFWSA-N 1 2 362.451 2.475 20 10 FECDLO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Br)cc(F)c1O ZINC000756371856 680474828 /nfs/dbraw/zinc/47/48/28/680474828.db2.gz NYLGCTATQIFOFJ-BDAKNGLRSA-N 1 2 366.252 2.379 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000756370090 680474909 /nfs/dbraw/zinc/47/49/09/680474909.db2.gz GHPAMRPWMXKKAP-IUCAKERBSA-N 1 2 366.252 2.379 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(F)cc(F)c1O ZINC000756840189 680501044 /nfs/dbraw/zinc/50/10/44/680501044.db2.gz UQVQONBMLLEGRE-YMNVWFMLSA-N 1 2 353.369 2.042 20 10 FECDLO COc1c(O)c(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000775014823 681267666 /nfs/dbraw/zinc/26/76/66/681267666.db2.gz CSGVSWOQRXHDTD-LBPRGKRZSA-N 1 2 354.309 2.410 20 10 FECDLO COc1ccc(O)c([C@H](C)[NH2+]CC2=Nc3ccccc3S(=O)(=O)N2)c1 ZINC000775372761 681301790 /nfs/dbraw/zinc/30/17/90/681301790.db2.gz IPJQVENRKOLQEK-NSHDSACASA-N 1 2 361.423 2.074 20 10 FECDLO COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@@H](O)C(F)(F)F ZINC000847026687 681322352 /nfs/dbraw/zinc/32/23/52/681322352.db2.gz MWBCSTJSTBEUQJ-CYBMUJFWSA-N 1 2 353.312 2.106 20 10 FECDLO COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@@H](O)C(F)(F)F ZINC000847026687 681322357 /nfs/dbraw/zinc/32/23/57/681322357.db2.gz MWBCSTJSTBEUQJ-CYBMUJFWSA-N 1 2 353.312 2.106 20 10 FECDLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775739841 681331014 /nfs/dbraw/zinc/33/10/14/681331014.db2.gz JBZCGLCSKSKEQB-UHFFFAOYSA-N 1 2 372.824 2.076 20 10 FECDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1c(F)ccc(O)c1O ZINC000789938499 682639558 /nfs/dbraw/zinc/63/95/58/682639558.db2.gz CJOJQIUUCYOCIB-UHFFFAOYSA-N 1 2 352.406 2.002 20 10 FECDLO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Br)c(F)cc1O ZINC000790740290 682698532 /nfs/dbraw/zinc/69/85/32/682698532.db2.gz WTXTYBDXIFHGML-MRVPVSSYSA-N 1 2 371.210 2.266 20 10 FECDLO CCn1nccc1C[N@H+](CCO)Cc1cccc(Br)c1O ZINC000793306464 682879411 /nfs/dbraw/zinc/87/94/11/682879411.db2.gz ZNJDHUFKJKPUDJ-UHFFFAOYSA-N 1 2 354.248 2.366 20 10 FECDLO CCn1nccc1C[N@@H+](CCO)Cc1cccc(Br)c1O ZINC000793306464 682879416 /nfs/dbraw/zinc/87/94/16/682879416.db2.gz ZNJDHUFKJKPUDJ-UHFFFAOYSA-N 1 2 354.248 2.366 20 10 FECDLO C[C@@H]([NH2+][C@H]1CNOC1)c1cc(Br)cc(Br)c1O ZINC000925869335 683045653 /nfs/dbraw/zinc/04/56/53/683045653.db2.gz JSFAZAIMDCLKOQ-SVRRBLITSA-N 1 2 366.053 2.471 20 10 FECDLO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(CO)on1 ZINC000926559964 683145720 /nfs/dbraw/zinc/14/57/20/683145720.db2.gz PCLNFSSVXDANPI-NSHDSACASA-N 1 2 353.369 2.133 20 10 FECDLO O=C(NCC1C[NH+](Cc2ccc(Br)cc2O)C1)C(F)(F)F ZINC000877776423 686453550 /nfs/dbraw/zinc/45/35/50/686453550.db2.gz JUSHQXZKPDVJSX-UHFFFAOYSA-N 1 2 367.165 2.265 20 10 FECDLO OCCCN1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883132650 687573698 /nfs/dbraw/zinc/57/36/98/687573698.db2.gz ZIDBHSCXFBAUES-ZDUSSCGKSA-N 1 2 361.255 2.230 20 10 FECDLO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cccc(Br)c2O)C1(F)F ZINC000894571207 689557548 /nfs/dbraw/zinc/55/75/48/689557548.db2.gz NUABEJRIRMHDFX-PSASIEDQSA-N 1 2 350.159 2.299 20 10 FECDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C1N=NC(=O)N1C ZINC000895172308 689670926 /nfs/dbraw/zinc/67/09/26/689670926.db2.gz SKOOBCWGIAUUIG-LURJTMIESA-N 1 2 361.627 2.493 20 10 FECDLO CCOCC[NH+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896289283 689850294 /nfs/dbraw/zinc/85/02/94/689850294.db2.gz QSRYWFAFVFTRAP-UHFFFAOYSA-N 1 2 350.440 2.107 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1cc(C)on1)cc2=O ZINC000052530990 540471687 /nfs/dbraw/zinc/47/16/87/540471687.db2.gz SVDFLXVVDYAGFQ-OAHLLOKOSA-N 1 2 371.397 2.245 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1cc(C)on1)cc2=O ZINC000052530990 540471688 /nfs/dbraw/zinc/47/16/88/540471688.db2.gz SVDFLXVVDYAGFQ-OAHLLOKOSA-N 1 2 371.397 2.245 20 10 FECDLO C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000805221184 674326317 /nfs/dbraw/zinc/32/63/17/674326317.db2.gz GLFSVPRBDPDRSB-RNCFNFMXSA-N 1 2 362.257 2.217 20 10 FECDLO C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000805221184 674326319 /nfs/dbraw/zinc/32/63/19/674326319.db2.gz GLFSVPRBDPDRSB-RNCFNFMXSA-N 1 2 362.257 2.217 20 10 FECDLO CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(Cl)c1O ZINC000806144856 674369045 /nfs/dbraw/zinc/36/90/45/674369045.db2.gz WELQTFUJZMPCAQ-CQSZACIVSA-N 1 2 373.862 2.194 20 10 FECDLO CC(=O)c1cc(F)cc(CN2CCC(C)([NH+]3CCOCC3)CC2)c1O ZINC000528729531 562344390 /nfs/dbraw/zinc/34/43/90/562344390.db2.gz SSQFYOOYXWMKCX-UHFFFAOYSA-N 1 2 350.434 2.421 20 10 FECDLO CCc1ccc(/C=C2\SC(=S)N(CC[NH+]3CCOCC3)C2=O)o1 ZINC000177641049 546658117 /nfs/dbraw/zinc/65/81/17/546658117.db2.gz IZCPHPCRPBOXIA-KAMYIIQDSA-N 1 2 352.481 2.375 20 10 FECDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000181554308 547333418 /nfs/dbraw/zinc/33/34/18/547333418.db2.gz TXDYTSYCXWEJOZ-LLVKDONJSA-N 1 2 353.271 2.213 20 10 FECDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000181554308 547333424 /nfs/dbraw/zinc/33/34/24/547333424.db2.gz TXDYTSYCXWEJOZ-LLVKDONJSA-N 1 2 353.271 2.213 20 10 FECDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000269500713 550201991 /nfs/dbraw/zinc/20/19/91/550201991.db2.gz QQAAMBBOHJXUIU-JTQLQIEISA-N 1 2 367.298 2.460 20 10 FECDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000269500713 550201993 /nfs/dbraw/zinc/20/19/93/550201993.db2.gz QQAAMBBOHJXUIU-JTQLQIEISA-N 1 2 367.298 2.460 20 10 FECDLO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000271198922 550351612 /nfs/dbraw/zinc/35/16/12/550351612.db2.gz VSIZOPHJJOGUCV-UHFFFAOYSA-N 1 2 360.285 2.295 20 10 FECDLO CC1(C)C[NH+]=C(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)S1 ZINC000272671456 550464265 /nfs/dbraw/zinc/46/42/65/550464265.db2.gz QHGVIEKBCGRSLW-GQCTYLIASA-N 1 2 361.467 2.137 20 10 FECDLO CC(=O)NCC[N@H+](Cc1cc(F)ccc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272844761 550473293 /nfs/dbraw/zinc/47/32/93/550473293.db2.gz IYAYYLMDKWMNIK-LBPRGKRZSA-N 1 2 354.422 2.200 20 10 FECDLO CC(=O)NCC[N@@H+](Cc1cc(F)ccc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272844761 550473294 /nfs/dbraw/zinc/47/32/94/550473294.db2.gz IYAYYLMDKWMNIK-LBPRGKRZSA-N 1 2 354.422 2.200 20 10 FECDLO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O ZINC000276861531 550604251 /nfs/dbraw/zinc/60/42/51/550604251.db2.gz CORLCQSONBLDEU-QWRGUYRKSA-N 1 2 367.348 2.490 20 10 FECDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278183747 550758632 /nfs/dbraw/zinc/75/86/32/550758632.db2.gz HAORWRAZOSOVKK-GFCCVEGCSA-N 1 2 353.375 2.020 20 10 FECDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278183747 550758634 /nfs/dbraw/zinc/75/86/34/550758634.db2.gz HAORWRAZOSOVKK-GFCCVEGCSA-N 1 2 353.375 2.020 20 10 FECDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000278266053 550767042 /nfs/dbraw/zinc/76/70/42/550767042.db2.gz ITASTGOWQOYSMB-CJNGLKHVSA-N 1 2 371.861 2.094 20 10 FECDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000278266053 550767044 /nfs/dbraw/zinc/76/70/44/550767044.db2.gz ITASTGOWQOYSMB-CJNGLKHVSA-N 1 2 371.861 2.094 20 10 FECDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278382456 550779431 /nfs/dbraw/zinc/77/94/31/550779431.db2.gz LXYPWWXJUVOSGW-OSMZGAPFSA-N 1 2 350.371 2.083 20 10 FECDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278382456 550779433 /nfs/dbraw/zinc/77/94/33/550779433.db2.gz LXYPWWXJUVOSGW-OSMZGAPFSA-N 1 2 350.371 2.083 20 10 FECDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)C1CCS(=O)(=O)CC1 ZINC000280655009 551017854 /nfs/dbraw/zinc/01/78/54/551017854.db2.gz SKQZTAJHVBQBAA-JTQLQIEISA-N 1 2 362.289 2.458 20 10 FECDLO Cc1ccc(O)c(CNc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)c1 ZINC000283340222 551350366 /nfs/dbraw/zinc/35/03/66/551350366.db2.gz KCAVRMQRQMXLCM-UHFFFAOYSA-N 1 2 369.465 2.375 20 10 FECDLO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(F)c(F)c1O ZINC000284497928 551562960 /nfs/dbraw/zinc/56/29/60/551562960.db2.gz AMJVDIGYIZBJBT-MNRXQERYSA-N 1 2 364.396 2.417 20 10 FECDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000294067227 552879480 /nfs/dbraw/zinc/87/94/80/552879480.db2.gz YGAMESOCWCDYND-NSHDSACASA-N 1 2 362.289 2.411 20 10 FECDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000294067227 552879482 /nfs/dbraw/zinc/87/94/82/552879482.db2.gz YGAMESOCWCDYND-NSHDSACASA-N 1 2 362.289 2.411 20 10 FECDLO CN(C)c1ccc(C[N@@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cc1 ZINC000367016416 555998112 /nfs/dbraw/zinc/99/81/12/555998112.db2.gz QCSQZPAHMVCXQO-GOSISDBHSA-N 1 2 364.449 2.437 20 10 FECDLO CN(C)c1ccc(C[N@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cc1 ZINC000367016416 555998115 /nfs/dbraw/zinc/99/81/15/555998115.db2.gz QCSQZPAHMVCXQO-GOSISDBHSA-N 1 2 364.449 2.437 20 10 FECDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000368045093 556203498 /nfs/dbraw/zinc/20/34/98/556203498.db2.gz UYCBONMNNSNWJI-SNVBAGLBSA-N 1 2 350.843 2.041 20 10 FECDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000368045093 556203501 /nfs/dbraw/zinc/20/35/01/556203501.db2.gz UYCBONMNNSNWJI-SNVBAGLBSA-N 1 2 350.843 2.041 20 10 FECDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000371033384 557052739 /nfs/dbraw/zinc/05/27/39/557052739.db2.gz BEFKYQBGVZQVRH-KRWDZBQOSA-N 1 2 351.454 2.495 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)N(C)C(C)C)CC2)cc1 ZINC000377519916 558356362 /nfs/dbraw/zinc/35/63/62/558356362.db2.gz QPQBULTUQAIRDB-UHFFFAOYSA-N 1 2 355.504 2.181 20 10 FECDLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2c(C)c3ccccc3n2C)CCO1 ZINC000472241554 561021769 /nfs/dbraw/zinc/02/17/69/561021769.db2.gz QRRBSXRHKKHJPD-MRXNPFEDSA-N 1 2 358.486 2.397 20 10 FECDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2c(C)c3ccccc3n2C)CCO1 ZINC000472241554 561021770 /nfs/dbraw/zinc/02/17/70/561021770.db2.gz QRRBSXRHKKHJPD-MRXNPFEDSA-N 1 2 358.486 2.397 20 10 FECDLO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)NC(=O)NC1=O ZINC000809705307 674506307 /nfs/dbraw/zinc/50/63/07/674506307.db2.gz QSSMKRRLOFOTBD-BDJLRTHQSA-N 1 2 355.797 2.137 20 10 FECDLO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)NC(=O)NC1=O ZINC000809705307 674506308 /nfs/dbraw/zinc/50/63/08/674506308.db2.gz QSSMKRRLOFOTBD-BDJLRTHQSA-N 1 2 355.797 2.137 20 10 FECDLO C[C@H]([C@H](C)[N@H+](C)Cc1cccc(Br)c1O)S(C)(=O)=O ZINC000093421117 670753087 /nfs/dbraw/zinc/75/30/87/670753087.db2.gz XXDJLLZLNAKBQE-VHSXEESVSA-N 1 2 350.278 2.408 20 10 FECDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cccc(Br)c1O)S(C)(=O)=O ZINC000093421117 670753092 /nfs/dbraw/zinc/75/30/92/670753092.db2.gz XXDJLLZLNAKBQE-VHSXEESVSA-N 1 2 350.278 2.408 20 10 FECDLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093821177 670755640 /nfs/dbraw/zinc/75/56/40/670755640.db2.gz TVVFQRZKVNTRKI-HNNXBMFYSA-N 1 2 372.296 2.437 20 10 FECDLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093821177 670755642 /nfs/dbraw/zinc/75/56/42/670755642.db2.gz TVVFQRZKVNTRKI-HNNXBMFYSA-N 1 2 372.296 2.437 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CC)c1nccs1)cc2=O ZINC000185048215 672517343 /nfs/dbraw/zinc/51/73/43/672517343.db2.gz WYUAZGWPTSWJLR-LBPRGKRZSA-N 1 2 361.427 2.309 20 10 FECDLO Cn1cc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)cn1 ZINC000824808712 675622914 /nfs/dbraw/zinc/62/29/14/675622914.db2.gz MSZAJMSSZQZKEU-UHFFFAOYSA-N 1 2 351.248 2.210 20 10 FECDLO O=C(Cc1[nH]cc[nH+]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000825430170 675652727 /nfs/dbraw/zinc/65/27/27/675652727.db2.gz SXYWAZDMDZRHLX-UHFFFAOYSA-N 1 2 350.369 2.339 20 10 FECDLO CCOc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000826894540 675714106 /nfs/dbraw/zinc/71/41/06/675714106.db2.gz QRZSZGZZUSERBD-JSGCOSHPSA-N 1 2 367.389 2.198 20 10 FECDLO CCOc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000826894540 675714109 /nfs/dbraw/zinc/71/41/09/675714109.db2.gz QRZSZGZZUSERBD-JSGCOSHPSA-N 1 2 367.389 2.198 20 10 FECDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCN1S(C)(=O)=O ZINC000827271865 675744520 /nfs/dbraw/zinc/74/45/20/675744520.db2.gz UVZCTZROVVZWIR-MRXNPFEDSA-N 1 2 351.516 2.143 20 10 FECDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCN1S(C)(=O)=O ZINC000827271865 675744522 /nfs/dbraw/zinc/74/45/22/675744522.db2.gz UVZCTZROVVZWIR-MRXNPFEDSA-N 1 2 351.516 2.143 20 10 FECDLO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756776552 680497216 /nfs/dbraw/zinc/49/72/16/680497216.db2.gz PXSLEUSOVZYJPR-SDBXPKJASA-N 1 2 358.211 2.412 20 10 FECDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000776017355 681356789 /nfs/dbraw/zinc/35/67/89/681356789.db2.gz MMWISBTWBDIMBO-CYBMUJFWSA-N 1 2 352.431 2.126 20 10 FECDLO COc1cccc(O)c1C[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000776017355 681356794 /nfs/dbraw/zinc/35/67/94/681356794.db2.gz MMWISBTWBDIMBO-CYBMUJFWSA-N 1 2 352.431 2.126 20 10 FECDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C(=O)N1c1cnn(C)c1 ZINC000776224565 681374577 /nfs/dbraw/zinc/37/45/77/681374577.db2.gz UHEVORMSEJEIQE-LKFCYVNXSA-N 1 2 352.797 2.202 20 10 FECDLO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CCO2 ZINC000776519829 681398702 /nfs/dbraw/zinc/39/87/02/681398702.db2.gz JCZJPMRLVDARDO-DOMZBBRYSA-N 1 2 363.838 2.011 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000781909280 681988156 /nfs/dbraw/zinc/98/81/56/681988156.db2.gz IQQBOEIISRMCGN-LBPRGKRZSA-N 1 2 355.232 2.490 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000781909280 681988161 /nfs/dbraw/zinc/98/81/61/681988161.db2.gz IQQBOEIISRMCGN-LBPRGKRZSA-N 1 2 355.232 2.490 20 10 FECDLO COCCN1CCC[N@H+](Cc2cc(C)cc(Br)c2O)CC1=O ZINC000787441046 682457346 /nfs/dbraw/zinc/45/73/46/682457346.db2.gz MLSNFNSSLQCAFU-UHFFFAOYSA-N 1 2 371.275 2.144 20 10 FECDLO COCCN1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)CC1=O ZINC000787441046 682457350 /nfs/dbraw/zinc/45/73/50/682457350.db2.gz MLSNFNSSLQCAFU-UHFFFAOYSA-N 1 2 371.275 2.144 20 10 FECDLO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000876921959 686295950 /nfs/dbraw/zinc/29/59/50/686295950.db2.gz NXMGCOZJENIZLO-UHFFFAOYSA-N 1 2 356.394 2.211 20 10 FECDLO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(F)c(F)c1O ZINC000877496648 686392021 /nfs/dbraw/zinc/39/20/21/686392021.db2.gz VQOVHMDYTLKIJF-UHFFFAOYSA-N 1 2 350.365 2.128 20 10 FECDLO OCCCN1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883131961 687573592 /nfs/dbraw/zinc/57/35/92/687573592.db2.gz ALGRUOAJQZENLV-CYBMUJFWSA-N 1 2 361.255 2.230 20 10 FECDLO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000893236616 689318547 /nfs/dbraw/zinc/31/85/47/689318547.db2.gz ICRVBPCNTKJFJD-CQSZACIVSA-N 1 2 368.909 2.118 20 10 FECDLO COC(=O)c1cnc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000895333748 689698142 /nfs/dbraw/zinc/69/81/42/689698142.db2.gz DHZNQWHHYFOATO-UHFFFAOYSA-N 1 2 361.467 2.181 20 10 FECDLO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895688816 689755548 /nfs/dbraw/zinc/75/55/48/689755548.db2.gz ZVQXYRBKDGONGJ-MRXNPFEDSA-N 1 2 371.884 2.071 20 10 FECDLO COc1ccc(N2CCC[N@H+](CC(=O)N(C)c3nccs3)CC2)cc1 ZINC000053775535 540553762 /nfs/dbraw/zinc/55/37/62/540553762.db2.gz QLDJESUHRCHPJV-UHFFFAOYSA-N 1 2 360.483 2.327 20 10 FECDLO COc1ccc(N2CCC[N@@H+](CC(=O)N(C)c3nccs3)CC2)cc1 ZINC000053775535 540553765 /nfs/dbraw/zinc/55/37/65/540553765.db2.gz QLDJESUHRCHPJV-UHFFFAOYSA-N 1 2 360.483 2.327 20 10 FECDLO COc1ccc(N2CC[NH+](Cc3csc(CC(=O)N(C)C)n3)CC2)cc1 ZINC000170927838 546183505 /nfs/dbraw/zinc/18/35/05/546183505.db2.gz KZBDFOHUXWCWIY-UHFFFAOYSA-N 1 2 374.510 2.105 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000187543122 548259684 /nfs/dbraw/zinc/25/96/84/548259684.db2.gz JACAQBBRTRBHJJ-HNNXBMFYSA-N 1 2 358.232 2.155 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000187543122 548259690 /nfs/dbraw/zinc/25/96/90/548259690.db2.gz JACAQBBRTRBHJJ-HNNXBMFYSA-N 1 2 358.232 2.155 20 10 FECDLO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000263712470 549923978 /nfs/dbraw/zinc/92/39/78/549923978.db2.gz DMCADPSEKVHWSB-KRWDZBQOSA-N 1 2 354.498 2.460 20 10 FECDLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000269108606 550156443 /nfs/dbraw/zinc/15/64/43/550156443.db2.gz BRLYKTHARFPDOS-VMPITWQZSA-N 1 2 354.454 2.282 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1OC ZINC000271762189 550400313 /nfs/dbraw/zinc/40/03/13/550400313.db2.gz ZAABPBSJVQXICT-UHFFFAOYSA-N 1 2 372.421 2.073 20 10 FECDLO COc1c(O)c(CNc2ccc[nH+]c2N2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000278554408 550798801 /nfs/dbraw/zinc/79/88/01/550798801.db2.gz ZPMUYIHAJIPIRE-UHFFFAOYSA-N 1 2 374.397 2.277 20 10 FECDLO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000279664899 550914108 /nfs/dbraw/zinc/91/41/08/550914108.db2.gz ODAFHFCAMKFSJU-CYBMUJFWSA-N 1 2 350.406 2.390 20 10 FECDLO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000279664899 550914110 /nfs/dbraw/zinc/91/41/10/550914110.db2.gz ODAFHFCAMKFSJU-CYBMUJFWSA-N 1 2 350.406 2.390 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c1O ZINC000289554640 552340281 /nfs/dbraw/zinc/34/02/81/552340281.db2.gz XLRZJQOPDBGNKJ-JTQLQIEISA-N 1 2 350.806 2.039 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c1O ZINC000289554640 552340283 /nfs/dbraw/zinc/34/02/83/552340283.db2.gz XLRZJQOPDBGNKJ-JTQLQIEISA-N 1 2 350.806 2.039 20 10 FECDLO CCN(CC)c1ccc(C[N@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000290620453 552508005 /nfs/dbraw/zinc/50/80/05/552508005.db2.gz XEBHMWRCPHVORN-GOSISDBHSA-N 1 2 354.516 2.168 20 10 FECDLO CCN(CC)c1ccc(C[N@@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000290620453 552508006 /nfs/dbraw/zinc/50/80/06/552508006.db2.gz XEBHMWRCPHVORN-GOSISDBHSA-N 1 2 354.516 2.168 20 10 FECDLO C[C@H](O)CNc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc[nH+]1 ZINC000298223015 553400153 /nfs/dbraw/zinc/40/01/53/553400153.db2.gz KDSLKMKRDYIOCN-ZDUSSCGKSA-N 1 2 350.426 2.439 20 10 FECDLO C[C@H](O)CNc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)[nH+]cn1 ZINC000298223015 553400154 /nfs/dbraw/zinc/40/01/54/553400154.db2.gz KDSLKMKRDYIOCN-ZDUSSCGKSA-N 1 2 350.426 2.439 20 10 FECDLO C[C@@H](O)CNc1cc(NCc2cccc(Br)c2O)[nH+]cn1 ZINC000299025945 553505227 /nfs/dbraw/zinc/50/52/27/553505227.db2.gz SXFLDTJSDCYGGX-SECBINFHSA-N 1 2 353.220 2.350 20 10 FECDLO C[C@@H](O)CNc1cc(NCc2cccc(Br)c2O)nc[nH+]1 ZINC000299025945 553505226 /nfs/dbraw/zinc/50/52/26/553505226.db2.gz SXFLDTJSDCYGGX-SECBINFHSA-N 1 2 353.220 2.350 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCc3nn(C(C)C)c(=O)cc3C2)ccc1[N+](=O)[O-] ZINC000364762295 555395889 /nfs/dbraw/zinc/39/58/89/555395889.db2.gz ZAODZOQUWNSUQF-UHFFFAOYSA-N 1 2 374.397 2.005 20 10 FECDLO COc1c(O)c(C[N@H+]2CCc3nn(C(C)C)c(=O)cc3C2)ccc1[N+](=O)[O-] ZINC000364762295 555395890 /nfs/dbraw/zinc/39/58/90/555395890.db2.gz ZAODZOQUWNSUQF-UHFFFAOYSA-N 1 2 374.397 2.005 20 10 FECDLO C[C@@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc(F)c(F)c1O ZINC000364785023 555402293 /nfs/dbraw/zinc/40/22/93/555402293.db2.gz BEDBYGGHYJLIMR-CYBMUJFWSA-N 1 2 367.440 2.408 20 10 FECDLO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc(F)c(F)c1O ZINC000364800939 555406714 /nfs/dbraw/zinc/40/67/14/555406714.db2.gz AZHCZXXWQAZTGV-UGSOOPFHSA-N 1 2 356.413 2.202 20 10 FECDLO COc1ccc(N2CCC(N(C)c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000364846006 555413949 /nfs/dbraw/zinc/41/39/49/555413949.db2.gz ZKPOVXVCHBQBPL-UHFFFAOYSA-N 1 2 352.442 2.477 20 10 FECDLO CCC(=O)N1CC[C@H](C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)C1 ZINC000366437950 555843832 /nfs/dbraw/zinc/84/38/32/555843832.db2.gz MKODVAPUERZXLL-INIZCTEOSA-N 1 2 373.497 2.381 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C2(N3CC[NH+](C)CC3)CCCC2)cc1 ZINC000369883218 556720948 /nfs/dbraw/zinc/72/09/48/556720948.db2.gz QBMKWRPHVMTMDA-UHFFFAOYSA-N 1 2 358.530 2.271 20 10 FECDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000374896069 557947626 /nfs/dbraw/zinc/94/76/26/557947626.db2.gz KMPNVFULJMETIK-OLZOCXBDSA-N 1 2 358.232 2.307 20 10 FECDLO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809702555 674505995 /nfs/dbraw/zinc/50/59/95/674505995.db2.gz VIAYSVVDSVOYNU-YGRLFVJLSA-N 1 2 364.870 2.382 20 10 FECDLO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Br)cc(F)c1O ZINC000810244313 674537747 /nfs/dbraw/zinc/53/77/47/674537747.db2.gz QEOHUNDOKVYDLQ-SECBINFHSA-N 1 2 373.226 2.119 20 10 FECDLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)nn1 ZINC000816570140 675065900 /nfs/dbraw/zinc/06/59/00/675065900.db2.gz KHANTBCVLKGSSS-LLVKDONJSA-N 1 2 368.796 2.400 20 10 FECDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)nn1 ZINC000816570140 675065902 /nfs/dbraw/zinc/06/59/02/675065902.db2.gz KHANTBCVLKGSSS-LLVKDONJSA-N 1 2 368.796 2.400 20 10 FECDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(Br)cc(OC)c1O ZINC000093815925 670755769 /nfs/dbraw/zinc/75/57/69/670755769.db2.gz OCOWKWUEYXQPPJ-UHFFFAOYSA-N 1 2 366.277 2.030 20 10 FECDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(Br)cc(OC)c1O ZINC000093815925 670755772 /nfs/dbraw/zinc/75/57/72/670755772.db2.gz OCOWKWUEYXQPPJ-UHFFFAOYSA-N 1 2 366.277 2.030 20 10 FECDLO O=C(C[NH2+]Cc1cc(Br)cc(F)c1O)NCC(F)(F)F ZINC000715814981 673073638 /nfs/dbraw/zinc/07/36/38/673073638.db2.gz WEHDJVWVQRIGNY-UHFFFAOYSA-N 1 2 359.117 2.062 20 10 FECDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000761228971 680715877 /nfs/dbraw/zinc/71/58/77/680715877.db2.gz PNRRVXPQJNNFKW-LBPRGKRZSA-N 1 2 354.248 2.191 20 10 FECDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000761228971 680715879 /nfs/dbraw/zinc/71/58/79/680715879.db2.gz PNRRVXPQJNNFKW-LBPRGKRZSA-N 1 2 354.248 2.191 20 10 FECDLO O=C(NCc1cccc(Br)c1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000765726707 680852647 /nfs/dbraw/zinc/85/26/47/680852647.db2.gz JKAXYYNPOGFOCR-JTQLQIEISA-N 1 2 350.216 2.230 20 10 FECDLO COCc1noc(CN2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)n1 ZINC000840939650 680855077 /nfs/dbraw/zinc/85/50/77/680855077.db2.gz OCSAVXZKZGQDBT-UHFFFAOYSA-N 1 2 366.849 2.201 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000750036563 680097304 /nfs/dbraw/zinc/09/73/04/680097304.db2.gz RDMWFIDPNCILQP-AWEZNQCLSA-N 1 2 374.890 2.152 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000750036563 680097307 /nfs/dbraw/zinc/09/73/07/680097307.db2.gz RDMWFIDPNCILQP-AWEZNQCLSA-N 1 2 374.890 2.152 20 10 FECDLO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)cc(F)c1O ZINC000756612002 680488870 /nfs/dbraw/zinc/48/88/70/680488870.db2.gz LGXRPTQSKYDDRR-OQPBUACISA-N 1 2 358.211 2.412 20 10 FECDLO CCc1nocc1/C=C1/SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000841497801 680887883 /nfs/dbraw/zinc/88/78/83/680887883.db2.gz YLIXNOCJSQPKDG-GXDHUFHOSA-N 1 2 367.496 2.161 20 10 FECDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1[O-] ZINC000850396539 681897864 /nfs/dbraw/zinc/89/78/64/681897864.db2.gz KZAVQRBSJCFZJW-AWEZNQCLSA-N 1 2 355.822 2.297 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c1 ZINC000781910343 681988032 /nfs/dbraw/zinc/98/80/32/681988032.db2.gz UNNBSNLXCVZRDX-UHFFFAOYSA-N 1 2 364.243 2.115 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c1 ZINC000781910343 681988038 /nfs/dbraw/zinc/98/80/38/681988038.db2.gz UNNBSNLXCVZRDX-UHFFFAOYSA-N 1 2 364.243 2.115 20 10 FECDLO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)cc(F)c1O ZINC000786948384 682423373 /nfs/dbraw/zinc/42/33/73/682423373.db2.gz GAXXNJYLFYVUMV-MRVPVSSYSA-N 1 2 366.252 2.379 20 10 FECDLO CNS(=O)(=O)c1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790954410 682715620 /nfs/dbraw/zinc/71/56/20/682715620.db2.gz QSVHBAVFFCPWDA-UHFFFAOYSA-N 1 2 358.822 2.383 20 10 FECDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792162816 682792882 /nfs/dbraw/zinc/79/28/82/682792882.db2.gz PUMZUOPPKDMYMR-JTQLQIEISA-N 1 2 350.843 2.088 20 10 FECDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792162816 682792884 /nfs/dbraw/zinc/79/28/84/682792884.db2.gz PUMZUOPPKDMYMR-JTQLQIEISA-N 1 2 350.843 2.088 20 10 FECDLO COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000924769990 684488392 /nfs/dbraw/zinc/48/83/92/684488392.db2.gz NGNKRSPSIFYQPA-LLVKDONJSA-N 1 2 364.471 2.479 20 10 FECDLO COCC[NH+](CCOC)C1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000877519903 686400007 /nfs/dbraw/zinc/40/00/07/686400007.db2.gz LSGCSLDEIAMAAD-UHFFFAOYSA-N 1 2 358.429 2.230 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C[C@H]2C1 ZINC000877791487 686462210 /nfs/dbraw/zinc/46/22/10/686462210.db2.gz QNBZLYTXDJNLMY-RYUDHWBXSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3ccc(Br)cc3O)C[C@H]2C1 ZINC000877791487 686462213 /nfs/dbraw/zinc/46/22/13/686462213.db2.gz QNBZLYTXDJNLMY-RYUDHWBXSA-N 1 2 360.273 2.021 20 10 FECDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000883185951 687583415 /nfs/dbraw/zinc/58/34/15/687583415.db2.gz HSDCYPWJCMVDOJ-NEPJUHHUSA-N 1 2 350.640 2.438 20 10 FECDLO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000893699569 689388643 /nfs/dbraw/zinc/38/86/43/689388643.db2.gz OXMJHZPEUBIANC-CVEARBPZSA-N 1 2 367.877 2.488 20 10 FECDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893967556 689439396 /nfs/dbraw/zinc/43/93/96/689439396.db2.gz OAUNYYWMEWZTRA-LBPRGKRZSA-N 1 2 372.238 2.283 20 10 FECDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893967556 689439399 /nfs/dbraw/zinc/43/93/99/689439399.db2.gz OAUNYYWMEWZTRA-LBPRGKRZSA-N 1 2 372.238 2.283 20 10 FECDLO O=S(=O)(C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1)N1CCCCC1 ZINC000897272111 689998628 /nfs/dbraw/zinc/99/86/28/689998628.db2.gz XGXGRUQGAYFVJC-UHFFFAOYSA-N 1 2 374.453 2.451 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3cnc(C)s3)CC2)cc1 ZINC000047259426 540299938 /nfs/dbraw/zinc/29/99/38/540299938.db2.gz BWGJZZJVZLBQEQ-UHFFFAOYSA-N 1 2 374.510 2.241 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3cnc(C)s3)CC2)cc1 ZINC000047259426 540299940 /nfs/dbraw/zinc/29/99/40/540299940.db2.gz BWGJZZJVZLBQEQ-UHFFFAOYSA-N 1 2 374.510 2.241 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3scnc3C)CC2)cc1 ZINC000066564579 541337692 /nfs/dbraw/zinc/33/76/92/541337692.db2.gz FKRJDXOGDHNVTA-UHFFFAOYSA-N 1 2 374.510 2.241 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3scnc3C)CC2)cc1 ZINC000066564579 541337696 /nfs/dbraw/zinc/33/76/96/541337696.db2.gz FKRJDXOGDHNVTA-UHFFFAOYSA-N 1 2 374.510 2.241 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1OC ZINC000179433633 546952193 /nfs/dbraw/zinc/95/21/93/546952193.db2.gz HCELCPYEFXXBQD-UHFFFAOYSA-N 1 2 362.451 2.429 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000180906265 547206628 /nfs/dbraw/zinc/20/66/28/547206628.db2.gz HUGAYVPZXHSMSN-KOEDOTQGSA-N 1 2 368.433 2.301 20 10 FECDLO COc1cccc(C(=O)N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000265726529 550013587 /nfs/dbraw/zinc/01/35/87/550013587.db2.gz OVDWLRKWHBZNHL-UHFFFAOYSA-N 1 2 370.405 2.088 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000272526731 550455707 /nfs/dbraw/zinc/45/57/07/550455707.db2.gz WKCQGSQSJIQSJK-PDFOZTTASA-N 1 2 368.433 2.128 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000272526731 550455708 /nfs/dbraw/zinc/45/57/08/550455708.db2.gz WKCQGSQSJIQSJK-PDFOZTTASA-N 1 2 368.433 2.128 20 10 FECDLO COc1cc([N+](=O)[O-])c(N2CCN(c3cc[nH+]c(C)n3)CC2)cc1OC ZINC000273442413 550498812 /nfs/dbraw/zinc/49/88/12/550498812.db2.gz BVKMBTOJUXJMKB-UHFFFAOYSA-N 1 2 359.386 2.037 20 10 FECDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000278266059 550767119 /nfs/dbraw/zinc/76/71/19/550767119.db2.gz ITASTGOWQOYSMB-XJKSGUPXSA-N 1 2 371.861 2.094 20 10 FECDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000278266059 550767121 /nfs/dbraw/zinc/76/71/21/550767121.db2.gz ITASTGOWQOYSMB-XJKSGUPXSA-N 1 2 371.861 2.094 20 10 FECDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278382453 550779363 /nfs/dbraw/zinc/77/93/63/550779363.db2.gz LXYPWWXJUVOSGW-JKOKRWQUSA-N 1 2 350.371 2.083 20 10 FECDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278382453 550779365 /nfs/dbraw/zinc/77/93/65/550779365.db2.gz LXYPWWXJUVOSGW-JKOKRWQUSA-N 1 2 350.371 2.083 20 10 FECDLO Cc1cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000279423682 550888693 /nfs/dbraw/zinc/88/86/93/550888693.db2.gz YGJYWDGDKBQWQH-MRXNPFEDSA-N 1 2 356.470 2.282 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000288567131 552176177 /nfs/dbraw/zinc/17/61/77/552176177.db2.gz AXWZFGHLTBAWOX-UHFFFAOYSA-N 1 2 367.449 2.242 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000288567131 552176180 /nfs/dbraw/zinc/17/61/80/552176180.db2.gz AXWZFGHLTBAWOX-UHFFFAOYSA-N 1 2 367.449 2.242 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ocnc3C3CC3)CC2)cc1 ZINC000289358339 552306608 /nfs/dbraw/zinc/30/66/08/552306608.db2.gz JZDKSYXXMPEKMH-UHFFFAOYSA-N 1 2 370.453 2.113 20 10 FECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1O ZINC000298176847 553394183 /nfs/dbraw/zinc/39/41/83/553394183.db2.gz UZTRKQSTWTUEQR-UHFFFAOYSA-N 1 2 374.372 2.359 20 10 FECDLO O=C(NCc1ccccc1O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299500382 553572159 /nfs/dbraw/zinc/57/21/59/553572159.db2.gz LOQPBLKAUNWFLW-SFHVURJKSA-N 1 2 355.438 2.092 20 10 FECDLO O=C(NCc1ccccc1O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299500382 553572161 /nfs/dbraw/zinc/57/21/61/553572161.db2.gz LOQPBLKAUNWFLW-SFHVURJKSA-N 1 2 355.438 2.092 20 10 FECDLO COc1ccc([NH+]2CCC(Nc3ccc(C(=O)NCCO)cc3)CC2)cc1 ZINC000373893547 557781603 /nfs/dbraw/zinc/78/16/03/557781603.db2.gz XQNCLEHSWKRVCW-UHFFFAOYSA-N 1 2 369.465 2.498 20 10 FECDLO CC(=O)C(=O)COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000808517950 674461311 /nfs/dbraw/zinc/46/13/11/674461311.db2.gz TXEXDLMKNGVWOY-MRXNPFEDSA-N 1 2 357.328 2.142 20 10 FECDLO CC(=O)C(=O)COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000808517950 674461314 /nfs/dbraw/zinc/46/13/14/674461314.db2.gz TXEXDLMKNGVWOY-MRXNPFEDSA-N 1 2 357.328 2.142 20 10 FECDLO Cc1noc(C)c1/C=C1/SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000814286105 674830447 /nfs/dbraw/zinc/83/04/47/674830447.db2.gz YFBDJKUBORBRGY-GXDHUFHOSA-N 1 2 367.496 2.215 20 10 FECDLO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)cc(F)c1O ZINC000818362047 675216183 /nfs/dbraw/zinc/21/61/83/675216183.db2.gz OSNLOVNVMBSFOE-WRWORJQWSA-N 1 2 359.195 2.092 20 10 FECDLO COc1ccc(O)c(C[NH2+]Cc2nn(C)cc2I)c1 ZINC000825079597 675636127 /nfs/dbraw/zinc/63/61/27/675636127.db2.gz WHRBAOKMYWIHNH-UHFFFAOYSA-N 1 2 373.194 2.029 20 10 FECDLO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[N@@H+]1CCc2sccc2C1 ZINC000825438420 675653084 /nfs/dbraw/zinc/65/30/84/675653084.db2.gz SWVJCNROZLOQIE-JTQLQIEISA-N 1 2 350.415 2.475 20 10 FECDLO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[N@H+]1CCc2sccc2C1 ZINC000825438420 675653086 /nfs/dbraw/zinc/65/30/86/675653086.db2.gz SWVJCNROZLOQIE-JTQLQIEISA-N 1 2 350.415 2.475 20 10 FECDLO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000758058477 680552990 /nfs/dbraw/zinc/55/29/90/680552990.db2.gz UUNJMMOUAUJVLU-UHFFFAOYSA-N 1 2 364.870 2.336 20 10 FECDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1cccc(Br)c1O)CC2 ZINC000769512870 680985598 /nfs/dbraw/zinc/98/55/98/680985598.db2.gz UVAVSAPBGREKDA-UHFFFAOYSA-N 1 2 364.243 2.290 20 10 FECDLO CCn1nc2c(cc1=O)C[N@H+](Cc1cccc(Br)c1O)CC2 ZINC000769512870 680985600 /nfs/dbraw/zinc/98/56/00/680985600.db2.gz UVAVSAPBGREKDA-UHFFFAOYSA-N 1 2 364.243 2.290 20 10 FECDLO Fc1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1N1CCOCC1 ZINC000770305774 681012505 /nfs/dbraw/zinc/01/25/05/681012505.db2.gz ULEDDOJTBDIKJD-RTBURBONSA-N 1 2 350.434 2.042 20 10 FECDLO Fc1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1N1CCOCC1 ZINC000770305774 681012506 /nfs/dbraw/zinc/01/25/06/681012506.db2.gz ULEDDOJTBDIKJD-RTBURBONSA-N 1 2 350.434 2.042 20 10 FECDLO CCN(C)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000773803761 681155975 /nfs/dbraw/zinc/15/59/75/681155975.db2.gz BUMCNKBMXKOFNL-OALUTQOASA-N 1 2 366.527 2.311 20 10 FECDLO CCN(C)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000773803761 681155976 /nfs/dbraw/zinc/15/59/76/681155976.db2.gz BUMCNKBMXKOFNL-OALUTQOASA-N 1 2 366.527 2.311 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000775744001 681331390 /nfs/dbraw/zinc/33/13/90/681331390.db2.gz ISLLELLDNVEWTI-ZDUSSCGKSA-N 1 2 355.232 2.490 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000775744001 681331392 /nfs/dbraw/zinc/33/13/92/681331392.db2.gz ISLLELLDNVEWTI-ZDUSSCGKSA-N 1 2 355.232 2.490 20 10 FECDLO CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000784055180 682196693 /nfs/dbraw/zinc/19/66/93/682196693.db2.gz HTBGVCURGVOJTC-SSDOTTSWSA-N 1 2 371.684 2.008 20 10 FECDLO COc1cc(Cl)cc(CN2CC[NH+](CCc3cnccn3)CC2)c1O ZINC000877704016 686441101 /nfs/dbraw/zinc/44/11/01/686441101.db2.gz WQMSFMYHXJOVMC-UHFFFAOYSA-N 1 2 362.861 2.205 20 10 FECDLO COc1cc(Cl)cc(C[NH+]2CCN(CCc3cnccn3)CC2)c1O ZINC000877704016 686441104 /nfs/dbraw/zinc/44/11/04/686441104.db2.gz WQMSFMYHXJOVMC-UHFFFAOYSA-N 1 2 362.861 2.205 20 10 FECDLO CN1CC[NH+](C2CCN(Cc3c(O)cccc3Br)CC2)CC1 ZINC000877746987 686449000 /nfs/dbraw/zinc/44/90/00/686449000.db2.gz QIFPSDVRDYTMOR-UHFFFAOYSA-N 1 2 368.319 2.367 20 10 FECDLO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883045009 687552323 /nfs/dbraw/zinc/55/23/23/687552323.db2.gz LSSLQHJTCFCEAD-QMMMGPOBSA-N 1 2 354.241 2.207 20 10 FECDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1(S(C)(=O)=O)CC1 ZINC000883118312 687570084 /nfs/dbraw/zinc/57/00/84/687570084.db2.gz SOLRHOSGZJCFBE-QMMMGPOBSA-N 1 2 366.252 2.349 20 10 FECDLO O=C(NCc1cccc(Cl)c1O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000893699570 689388443 /nfs/dbraw/zinc/38/84/43/689388443.db2.gz OXMJHZPEUBIANC-HOTGVXAUSA-N 1 2 367.877 2.488 20 10 FECDLO COC(=O)c1cnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000894194183 689484194 /nfs/dbraw/zinc/48/41/94/689484194.db2.gz ZOAJDINZSKJKFZ-UHFFFAOYSA-N 1 2 365.430 2.195 20 10 FECDLO O=C1NC2(CO1)CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC000894446613 689533241 /nfs/dbraw/zinc/53/32/41/689533241.db2.gz WRSJTLFLXDRWSN-UHFFFAOYSA-N 1 2 359.195 2.368 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCCc3nc(C)no3)CC2)cc1 ZINC000066194532 541289651 /nfs/dbraw/zinc/28/96/51/541289651.db2.gz DDJAFWWAFXUOTC-UHFFFAOYSA-N 1 2 373.457 2.240 20 10 FECDLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000172614160 546261082 /nfs/dbraw/zinc/26/10/82/546261082.db2.gz ZVFBBXDKTIFOAA-HNNXBMFYSA-N 1 2 366.469 2.105 20 10 FECDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000182323292 547473372 /nfs/dbraw/zinc/47/33/72/547473372.db2.gz RPUPCJMWTIBHMB-UHFFFAOYSA-N 1 2 356.422 2.373 20 10 FECDLO COc1ccc(N2CC[NH+](Cc3nc4ccccc4c(=O)n3C)CC2)cc1 ZINC000194738931 548523353 /nfs/dbraw/zinc/52/33/53/548523353.db2.gz IXMICSMTNXPGHP-UHFFFAOYSA-N 1 2 364.449 2.264 20 10 FECDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)C1CCS(=O)(=O)CC1 ZINC000280655017 551017800 /nfs/dbraw/zinc/01/78/00/551017800.db2.gz SKQZTAJHVBQBAA-SNVBAGLBSA-N 1 2 362.289 2.458 20 10 FECDLO CCN(CC)c1ccc(CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)cc1F ZINC000280728521 551025898 /nfs/dbraw/zinc/02/58/98/551025898.db2.gz IDNCUMQWZQUJDQ-GOSISDBHSA-N 1 2 361.465 2.325 20 10 FECDLO CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285398343 551749834 /nfs/dbraw/zinc/74/98/34/551749834.db2.gz XAVCROGFCNOEMS-UHFFFAOYSA-N 1 2 370.453 2.144 20 10 FECDLO C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000289766867 552375258 /nfs/dbraw/zinc/37/52/58/552375258.db2.gz KHJUUMWTYHWEMK-UHFFFAOYSA-N 1 2 351.878 2.032 20 10 FECDLO CCCC[N@H+](Cc1nccn1S(=O)(=O)N(C)C)Cc1ccccc1O ZINC000291609208 552642992 /nfs/dbraw/zinc/64/29/92/552642992.db2.gz QXHGYWMZOXOVPS-UHFFFAOYSA-N 1 2 366.487 2.046 20 10 FECDLO CCCC[N@@H+](Cc1nccn1S(=O)(=O)N(C)C)Cc1ccccc1O ZINC000291609208 552642993 /nfs/dbraw/zinc/64/29/93/552642993.db2.gz QXHGYWMZOXOVPS-UHFFFAOYSA-N 1 2 366.487 2.046 20 10 FECDLO COc1ccc(O)c(CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000301305775 553640757 /nfs/dbraw/zinc/64/07/57/553640757.db2.gz YCQQZOJBVLSNJN-UHFFFAOYSA-N 1 2 364.203 2.452 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2C)cc1OC ZINC000368295030 556271174 /nfs/dbraw/zinc/27/11/74/556271174.db2.gz YENRZDARTXPYQK-IBGZPJMESA-N 1 2 356.422 2.391 20 10 FECDLO COc1cc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2C)cc1OC ZINC000368295030 556271176 /nfs/dbraw/zinc/27/11/76/556271176.db2.gz YENRZDARTXPYQK-IBGZPJMESA-N 1 2 356.422 2.391 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1O ZINC000371886153 557319690 /nfs/dbraw/zinc/31/96/90/557319690.db2.gz PJRSQILLFTWGEH-INIZCTEOSA-N 1 2 366.458 2.274 20 10 FECDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375587971 558053231 /nfs/dbraw/zinc/05/32/31/558053231.db2.gz ODKWIBHBPLQWKG-IIAWOOMASA-N 1 2 355.438 2.313 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)CSCC(C)=O)CC2)cc1 ZINC000377082904 558262353 /nfs/dbraw/zinc/26/23/53/558262353.db2.gz LQZUATACCCWQMO-UHFFFAOYSA-N 1 2 350.484 2.445 20 10 FECDLO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)NC(=O)NC1=O ZINC000809705310 674506157 /nfs/dbraw/zinc/50/61/57/674506157.db2.gz QSSMKRRLOFOTBD-ZBEGNZNMSA-N 1 2 355.797 2.137 20 10 FECDLO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)NC(=O)NC1=O ZINC000809705310 674506159 /nfs/dbraw/zinc/50/61/59/674506159.db2.gz QSSMKRRLOFOTBD-ZBEGNZNMSA-N 1 2 355.797 2.137 20 10 FECDLO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809710065 674506518 /nfs/dbraw/zinc/50/65/18/674506518.db2.gz MIDFSVRBOKQMGW-LBPRGKRZSA-N 1 2 350.843 2.088 20 10 FECDLO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816556806 675064885 /nfs/dbraw/zinc/06/48/85/675064885.db2.gz UMLLRBJKJVKCFC-UHFFFAOYSA-N 1 2 362.854 2.231 20 10 FECDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)s1 ZINC000822498198 675488789 /nfs/dbraw/zinc/48/87/89/675488789.db2.gz VXGOLODMYDYJQM-QMMMGPOBSA-N 1 2 367.383 2.403 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000750040239 680097559 /nfs/dbraw/zinc/09/75/59/680097559.db2.gz FHKZTSVDZPNSEJ-UHFFFAOYSA-N 1 2 374.890 2.104 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Br)cc(F)c1O ZINC000756371857 680474959 /nfs/dbraw/zinc/47/49/59/680474959.db2.gz NYLGCTATQIFOFJ-DTWKUNHWSA-N 1 2 366.252 2.379 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(F)cc(F)c1O ZINC000756840187 680500778 /nfs/dbraw/zinc/50/07/78/680500778.db2.gz UQVQONBMLLEGRE-GBNMTWHSSA-N 1 2 353.369 2.042 20 10 FECDLO Oc1c(Br)cccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768192038 680940158 /nfs/dbraw/zinc/94/01/58/680940158.db2.gz MTOGTOUZTPGYJZ-AWEZNQCLSA-N 1 2 355.276 2.451 20 10 FECDLO CCN(C)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000773803763 681156009 /nfs/dbraw/zinc/15/60/09/681156009.db2.gz BUMCNKBMXKOFNL-RBUKOAKNSA-N 1 2 366.527 2.311 20 10 FECDLO CCN(C)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000773803763 681156012 /nfs/dbraw/zinc/15/60/12/681156012.db2.gz BUMCNKBMXKOFNL-RBUKOAKNSA-N 1 2 366.527 2.311 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CN3CCNC3=O)CC2)c1O ZINC000933583965 681436940 /nfs/dbraw/zinc/43/69/40/681436940.db2.gz APCAYMBRWLSVCX-UHFFFAOYSA-N 1 2 365.861 2.485 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)c1O ZINC000934263221 681538207 /nfs/dbraw/zinc/53/82/07/681538207.db2.gz NLPNIFNBJPDYFA-IAGOWNOFSA-N 1 2 352.862 2.279 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3CCO)c1O ZINC000934263221 681538213 /nfs/dbraw/zinc/53/82/13/681538213.db2.gz NLPNIFNBJPDYFA-IAGOWNOFSA-N 1 2 352.862 2.279 20 10 FECDLO CCc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC000848877045 681637370 /nfs/dbraw/zinc/63/73/70/681637370.db2.gz OIQJIKWMGCQPDK-UHFFFAOYSA-N 1 2 360.479 2.461 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000877820013 686471435 /nfs/dbraw/zinc/47/14/35/686471435.db2.gz LLVYCPKZQFOKBK-NSHDSACASA-N 1 2 350.293 2.462 20 10 FECDLO COc1c(O)c(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000877820013 686471442 /nfs/dbraw/zinc/47/14/42/686471442.db2.gz LLVYCPKZQFOKBK-NSHDSACASA-N 1 2 350.293 2.462 20 10 FECDLO O=C1CC[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)CC[C@@H]2N1 ZINC000895258309 689685701 /nfs/dbraw/zinc/68/57/01/689685701.db2.gz CFSDQMWBQIIXJE-ZANVPECISA-N 1 2 357.223 2.394 20 10 FECDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)CC[C@@H]2N1 ZINC000895258309 689685706 /nfs/dbraw/zinc/68/57/06/689685706.db2.gz CFSDQMWBQIIXJE-ZANVPECISA-N 1 2 357.223 2.394 20 10 FECDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000898540832 690205239 /nfs/dbraw/zinc/20/52/39/690205239.db2.gz CCGGRQMNDLGYGD-GFCCVEGCSA-N 1 2 357.248 2.264 20 10 FECDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000898540832 690205241 /nfs/dbraw/zinc/20/52/41/690205241.db2.gz CCGGRQMNDLGYGD-GFCCVEGCSA-N 1 2 357.248 2.264 20 10 FECDLO COc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1O ZINC000073590649 541969887 /nfs/dbraw/zinc/96/98/87/541969887.db2.gz SOFQTVCQJOPPCL-UHFFFAOYSA-N 1 2 356.426 2.395 20 10 FECDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000827544834 675763923 /nfs/dbraw/zinc/76/39/23/675763923.db2.gz LQGVPOCEAFJJAK-LBPRGKRZSA-N 1 2 356.264 2.342 20 10 FECDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000827544834 675763925 /nfs/dbraw/zinc/76/39/25/675763925.db2.gz LQGVPOCEAFJJAK-LBPRGKRZSA-N 1 2 356.264 2.342 20 10 FECDLO O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076076623 542229757 /nfs/dbraw/zinc/22/97/57/542229757.db2.gz PCLKILWWAGUARP-KRWDZBQOSA-N 1 2 369.469 2.336 20 10 FECDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000095446855 209050983 /nfs/dbraw/zinc/05/09/83/209050983.db2.gz IOFNPUNBWZVMQP-IPCNLGOESA-N 1 2 354.410 2.468 20 10 FECDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000095446855 209050986 /nfs/dbraw/zinc/05/09/86/209050986.db2.gz IOFNPUNBWZVMQP-IPCNLGOESA-N 1 2 354.410 2.468 20 10 FECDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1O ZINC000120842406 543684881 /nfs/dbraw/zinc/68/48/81/543684881.db2.gz WTNBHKDHOLYZIB-ZDUSSCGKSA-N 1 2 374.376 2.389 20 10 FECDLO COc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c1O ZINC000184670769 547864007 /nfs/dbraw/zinc/86/40/07/547864007.db2.gz JTFQHUQREMMVSW-UHFFFAOYSA-N 1 2 361.829 2.407 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1O ZINC000267356211 550029986 /nfs/dbraw/zinc/02/99/86/550029986.db2.gz HHBIMQCEHIAIEK-LBPRGKRZSA-N 1 2 374.890 2.009 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1O ZINC000267356211 550029989 /nfs/dbraw/zinc/02/99/89/550029989.db2.gz HHBIMQCEHIAIEK-LBPRGKRZSA-N 1 2 374.890 2.009 20 10 FECDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000268417455 550062037 /nfs/dbraw/zinc/06/20/37/550062037.db2.gz CATHCSXJPBODGU-KRWDZBQOSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000268417455 550062042 /nfs/dbraw/zinc/06/20/42/550062042.db2.gz CATHCSXJPBODGU-KRWDZBQOSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000268417455 550062045 /nfs/dbraw/zinc/06/20/45/550062045.db2.gz CATHCSXJPBODGU-KRWDZBQOSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268417455 550062048 /nfs/dbraw/zinc/06/20/48/550062048.db2.gz CATHCSXJPBODGU-KRWDZBQOSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268417455 550062050 /nfs/dbraw/zinc/06/20/50/550062050.db2.gz CATHCSXJPBODGU-KRWDZBQOSA-N 1 2 370.501 2.017 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(c3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000278194723 550759579 /nfs/dbraw/zinc/75/95/79/550759579.db2.gz IGYLAZQUPLZQEM-UHFFFAOYSA-N 1 2 359.382 2.337 20 10 FECDLO COc1c(O)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278538361 550796899 /nfs/dbraw/zinc/79/68/99/550796899.db2.gz WVUIOUSCLXZRLK-UHFFFAOYSA-N 1 2 350.293 2.198 20 10 FECDLO COC[C@H](O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000283099679 551311562 /nfs/dbraw/zinc/31/15/62/551311562.db2.gz SWUYGMUHFLIWPT-SECBINFHSA-N 1 2 369.053 2.014 20 10 FECDLO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(Cl)cc(Cl)c3O)CC2)N1 ZINC000285544934 551772734 /nfs/dbraw/zinc/77/27/34/551772734.db2.gz QZUQXRDOKVRWCG-UHFFFAOYSA-N 1 2 358.225 2.309 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c1O ZINC000289554643 552340323 /nfs/dbraw/zinc/34/03/23/552340323.db2.gz XLRZJQOPDBGNKJ-SNVBAGLBSA-N 1 2 350.806 2.039 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c1O ZINC000289554643 552340326 /nfs/dbraw/zinc/34/03/26/552340326.db2.gz XLRZJQOPDBGNKJ-SNVBAGLBSA-N 1 2 350.806 2.039 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ncoc3C3CC3)CC2)cc1 ZINC000293173433 552795907 /nfs/dbraw/zinc/79/59/07/552795907.db2.gz GQZNPPZVPHJKAO-UHFFFAOYSA-N 1 2 370.453 2.113 20 10 FECDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295050410 552954273 /nfs/dbraw/zinc/95/42/73/552954273.db2.gz OPDFVPOGGBBYGI-LJQANCHMSA-N 1 2 362.470 2.066 20 10 FECDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295050410 552954275 /nfs/dbraw/zinc/95/42/75/552954275.db2.gz OPDFVPOGGBBYGI-LJQANCHMSA-N 1 2 362.470 2.066 20 10 FECDLO C[C@@]1(F)CCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000295548322 553023930 /nfs/dbraw/zinc/02/39/30/553023930.db2.gz WVSOLZBKGHOBQG-LJQANCHMSA-N 1 2 367.440 2.103 20 10 FECDLO C[C@@]1(F)CCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000295548322 553023933 /nfs/dbraw/zinc/02/39/33/553023933.db2.gz WVSOLZBKGHOBQG-LJQANCHMSA-N 1 2 367.440 2.103 20 10 FECDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364303802 555287742 /nfs/dbraw/zinc/28/77/42/555287742.db2.gz NZQVOPFSVKAEMJ-ZBFHGGJFSA-N 1 2 355.438 2.457 20 10 FECDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000371043069 557056396 /nfs/dbraw/zinc/05/63/96/557056396.db2.gz LSAGMIQWTMOBNU-WEBJUUICSA-N 1 2 366.465 2.286 20 10 FECDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000374896067 557947521 /nfs/dbraw/zinc/94/75/21/557947521.db2.gz KMPNVFULJMETIK-CHWSQXEVSA-N 1 2 358.232 2.307 20 10 FECDLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000375927403 558100959 /nfs/dbraw/zinc/10/09/59/558100959.db2.gz LQZOSDHAJHWHTI-LLVKDONJSA-N 1 2 362.854 2.185 20 10 FECDLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000375927403 558100961 /nfs/dbraw/zinc/10/09/61/558100961.db2.gz LQZOSDHAJHWHTI-LLVKDONJSA-N 1 2 362.854 2.185 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213684 558290052 /nfs/dbraw/zinc/29/00/52/558290052.db2.gz IVGDGNQSLKLHLH-SJKOYZFVSA-N 1 2 352.387 2.079 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213684 558290053 /nfs/dbraw/zinc/29/00/53/558290053.db2.gz IVGDGNQSLKLHLH-SJKOYZFVSA-N 1 2 352.387 2.079 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422387549 559584149 /nfs/dbraw/zinc/58/41/49/559584149.db2.gz UXGWZICLURYCDT-UHFFFAOYSA-N 1 2 364.449 2.431 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1Cl ZINC000824905741 675628455 /nfs/dbraw/zinc/62/84/55/675628455.db2.gz BKWFLJJEQVMCAD-HNNXBMFYSA-N 1 2 365.905 2.483 20 10 FECDLO O=C1CC[C@H]([NH+]2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)CCN1 ZINC000825147619 675638975 /nfs/dbraw/zinc/63/89/75/675638975.db2.gz IWFCGJJBSKBBKI-AWEZNQCLSA-N 1 2 372.296 2.485 20 10 FECDLO CCN(CC)c1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1F ZINC000769503351 680985166 /nfs/dbraw/zinc/98/51/66/680985166.db2.gz HPKMDGBKNRDRCT-UHFFFAOYSA-N 1 2 350.482 2.053 20 10 FECDLO CCN(CC)c1ccc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cc1F ZINC000769503351 680985167 /nfs/dbraw/zinc/98/51/67/680985167.db2.gz HPKMDGBKNRDRCT-UHFFFAOYSA-N 1 2 350.482 2.053 20 10 FECDLO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CCO2 ZINC000776519832 681398878 /nfs/dbraw/zinc/39/88/78/681398878.db2.gz JCZJPMRLVDARDO-WFASDCNBSA-N 1 2 363.838 2.011 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCCCS3)CC2)cc1 ZINC000783047137 682106994 /nfs/dbraw/zinc/10/69/94/682106994.db2.gz QLRSOIPIOOLSIC-SFHVURJKSA-N 1 2 363.527 2.219 20 10 FECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)[C@H]1CCOC1 ZINC000851841866 682157862 /nfs/dbraw/zinc/15/78/62/682157862.db2.gz YPTYMHNGWFOMSX-LRDDRELGSA-N 1 2 357.834 2.072 20 10 FECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)[C@H]1CCOC1 ZINC000851841866 682157866 /nfs/dbraw/zinc/15/78/66/682157866.db2.gz YPTYMHNGWFOMSX-LRDDRELGSA-N 1 2 357.834 2.072 20 10 FECDLO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)cc(F)c1O ZINC000927137526 683211887 /nfs/dbraw/zinc/21/18/87/683211887.db2.gz XFPYNXVNVPBBRG-OQPBUACISA-N 1 2 358.211 2.412 20 10 FECDLO OC1CCN(c2ccc(C[NH+]3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000876555586 686218525 /nfs/dbraw/zinc/21/85/25/686218525.db2.gz ALAQQIWGEVKRIW-UHFFFAOYSA-N 1 2 357.420 2.328 20 10 FECDLO CC(C)(C)OCCC[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000882330639 687348991 /nfs/dbraw/zinc/34/89/91/687348991.db2.gz KMZJEPPCRQLHQW-UHFFFAOYSA-N 1 2 354.422 2.200 20 10 FECDLO Cn1cc([C@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2O)cn1 ZINC000883018758 687547658 /nfs/dbraw/zinc/54/76/58/687547658.db2.gz OGVBGOIYKKXGOI-GFCCVEGCSA-N 1 2 360.639 2.365 20 10 FECDLO COc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c(O)c1OC ZINC000891603335 689082645 /nfs/dbraw/zinc/08/26/45/689082645.db2.gz WCRCJBDVALNZRI-UHFFFAOYSA-N 1 2 350.459 2.490 20 10 FECDLO CN1C(=O)NCC12CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC000895056739 689649596 /nfs/dbraw/zinc/64/95/96/689649596.db2.gz AMSDEPPTQCSYCG-UHFFFAOYSA-N 1 2 372.238 2.283 20 10 FECDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1O ZINC000091923804 542832690 /nfs/dbraw/zinc/83/26/90/542832690.db2.gz GUJKAIRLHCGMND-UHFFFAOYSA-N 1 2 356.422 2.455 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)[C@H]1CCc2[nH+]ccn2C1 ZINC000804736216 674299495 /nfs/dbraw/zinc/29/94/95/674299495.db2.gz NQRLIVSWYWWGMV-JTQLQIEISA-N 1 2 350.216 2.230 20 10 FECDLO C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[N@H+](C)CCO1 ZINC000805221182 674326294 /nfs/dbraw/zinc/32/62/94/674326294.db2.gz GLFSVPRBDPDRSB-NOZJJQNGSA-N 1 2 362.257 2.217 20 10 FECDLO C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000805221182 674326296 /nfs/dbraw/zinc/32/62/96/674326296.db2.gz GLFSVPRBDPDRSB-NOZJJQNGSA-N 1 2 362.257 2.217 20 10 FECDLO CN1CCCc2cc(CNC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)ccc21 ZINC000174446714 546296653 /nfs/dbraw/zinc/29/66/53/546296653.db2.gz FDCIJXVBQRPIKR-IBGZPJMESA-N 1 2 372.513 2.075 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CCNC3=O)CC2)c1O ZINC000177036720 546529115 /nfs/dbraw/zinc/52/91/15/546529115.db2.gz PSNADBLVGCCGRO-UHFFFAOYSA-N 1 2 351.834 2.238 20 10 FECDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180286762 547079952 /nfs/dbraw/zinc/07/99/52/547079952.db2.gz XFUCXSUKCBBTFS-CYBMUJFWSA-N 1 2 358.232 2.227 20 10 FECDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180286762 547079957 /nfs/dbraw/zinc/07/99/57/547079957.db2.gz XFUCXSUKCBBTFS-CYBMUJFWSA-N 1 2 358.232 2.227 20 10 FECDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000181554330 547334019 /nfs/dbraw/zinc/33/40/19/547334019.db2.gz TXDYTSYCXWEJOZ-NSHDSACASA-N 1 2 353.271 2.213 20 10 FECDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000181554330 547334022 /nfs/dbraw/zinc/33/40/22/547334022.db2.gz TXDYTSYCXWEJOZ-NSHDSACASA-N 1 2 353.271 2.213 20 10 FECDLO COc1cc(N2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)cc(OC)c1OC ZINC000183702856 547704279 /nfs/dbraw/zinc/70/42/79/547704279.db2.gz NJHRQVKKOSFLBY-GFCCVEGCSA-N 1 2 362.430 2.287 20 10 FECDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3noc(C)n3)CC2)c1O ZINC000184691128 547865553 /nfs/dbraw/zinc/86/55/53/547865553.db2.gz XPGPZTJCEFSOIY-UHFFFAOYSA-N 1 2 352.822 2.063 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ncc(C)s1)cc2=O ZINC000184979883 547911269 /nfs/dbraw/zinc/91/12/69/547911269.db2.gz QPUWUKMEKABYIK-JTQLQIEISA-N 1 2 361.427 2.227 20 10 FECDLO COc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1F ZINC000237299801 548815922 /nfs/dbraw/zinc/81/59/22/548815922.db2.gz PXLHIGWHHQYSHA-UHFFFAOYSA-N 1 2 357.429 2.303 20 10 FECDLO CCCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000272524273 550455515 /nfs/dbraw/zinc/45/55/15/550455515.db2.gz LSAGRGFUGPDEOH-CJNGLKHVSA-N 1 2 365.426 2.108 20 10 FECDLO CCCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)c(O)c1 ZINC000272524273 550455518 /nfs/dbraw/zinc/45/55/18/550455518.db2.gz LSAGRGFUGPDEOH-CJNGLKHVSA-N 1 2 365.426 2.108 20 10 FECDLO Oc1c(Br)cccc1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277309262 550654642 /nfs/dbraw/zinc/65/46/42/550654642.db2.gz CGRJEZPOFHYLGQ-UHFFFAOYSA-N 1 2 365.231 2.393 20 10 FECDLO Oc1c(Br)cccc1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277309262 550654643 /nfs/dbraw/zinc/65/46/43/550654643.db2.gz CGRJEZPOFHYLGQ-UHFFFAOYSA-N 1 2 365.231 2.393 20 10 FECDLO Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[N@@H+]2C)cn1 ZINC000363176702 555046419 /nfs/dbraw/zinc/04/64/19/555046419.db2.gz LOTXLIACRQQPHR-FZKQIMNGSA-N 1 2 359.430 2.207 20 10 FECDLO Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[N@H+]2C)cn1 ZINC000363176702 555046421 /nfs/dbraw/zinc/04/64/21/555046421.db2.gz LOTXLIACRQQPHR-FZKQIMNGSA-N 1 2 359.430 2.207 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)N3CCC[C@H]3C)CC2)cc1 ZINC000364220461 555272657 /nfs/dbraw/zinc/27/26/57/555272657.db2.gz UQOUJPMLEIAPOE-OAHLLOKOSA-N 1 2 367.515 2.325 20 10 FECDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000374896073 557947612 /nfs/dbraw/zinc/94/76/12/557947612.db2.gz KMPNVFULJMETIK-STQMWFEESA-N 1 2 358.232 2.307 20 10 FECDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cs1 ZINC000376550761 558188916 /nfs/dbraw/zinc/18/89/16/558188916.db2.gz HFDMSCBJMZPAPJ-UHFFFAOYSA-N 1 2 361.467 2.465 20 10 FECDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cs1 ZINC000376550761 558188918 /nfs/dbraw/zinc/18/89/18/558188918.db2.gz HFDMSCBJMZPAPJ-UHFFFAOYSA-N 1 2 361.467 2.465 20 10 FECDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)nn1 ZINC000816570141 675065835 /nfs/dbraw/zinc/06/58/35/675065835.db2.gz KHANTBCVLKGSSS-NSHDSACASA-N 1 2 368.796 2.400 20 10 FECDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)nn1 ZINC000816570141 675065837 /nfs/dbraw/zinc/06/58/37/675065837.db2.gz KHANTBCVLKGSSS-NSHDSACASA-N 1 2 368.796 2.400 20 10 FECDLO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000702821625 673060262 /nfs/dbraw/zinc/06/02/62/673060262.db2.gz ZFQXONUYYLIPAX-GXTWGEPZSA-N 1 2 356.850 2.363 20 10 FECDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707153041 673063397 /nfs/dbraw/zinc/06/33/97/673063397.db2.gz RVIFJNPVKRQQJX-LLVKDONJSA-N 1 2 362.289 2.411 20 10 FECDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707153041 673063400 /nfs/dbraw/zinc/06/34/00/673063400.db2.gz RVIFJNPVKRQQJX-LLVKDONJSA-N 1 2 362.289 2.411 20 10 FECDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824555018 675610099 /nfs/dbraw/zinc/61/00/99/675610099.db2.gz BDCLPALIVHTLKW-AWEZNQCLSA-N 1 2 353.894 2.386 20 10 FECDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824849952 675625253 /nfs/dbraw/zinc/62/52/53/675625253.db2.gz JLYKELUYWOCAAX-UHFFFAOYSA-N 1 2 358.232 2.045 20 10 FECDLO Cc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)nc1 ZINC000761787166 680731705 /nfs/dbraw/zinc/73/17/05/680731705.db2.gz SRXWATRBMUKGRG-RVDMUPIBSA-N 1 2 363.508 2.314 20 10 FECDLO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cc(F)cc(F)c1O ZINC000756475383 680480736 /nfs/dbraw/zinc/48/07/36/680480736.db2.gz OXDSTMJSOHZXQL-GFCCVEGCSA-N 1 2 370.421 2.441 20 10 FECDLO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1O)NCc1ccccc1 ZINC000776088988 681362671 /nfs/dbraw/zinc/36/26/71/681362671.db2.gz SICINAYOBNPEEI-UHFFFAOYSA-N 1 2 372.849 2.394 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3cscn3)CC2)cc1 ZINC000852420113 682275491 /nfs/dbraw/zinc/27/54/91/682275491.db2.gz OLQXRXDAQCALOI-AWEZNQCLSA-N 1 2 360.483 2.151 20 10 FECDLO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)CC2 ZINC000882961434 687534422 /nfs/dbraw/zinc/53/44/22/687534422.db2.gz NGYZVJJPHCXKBG-NSHDSACASA-N 1 2 355.211 2.298 20 10 FECDLO COCc1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)no1 ZINC000883144303 687576714 /nfs/dbraw/zinc/57/67/14/687576714.db2.gz LMNXITVNTWKBGM-UHFFFAOYSA-N 1 2 353.369 2.226 20 10 FECDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000903006270 690830044 /nfs/dbraw/zinc/83/00/44/690830044.db2.gz JEVHJMNFUNTQOX-UHFFFAOYSA-N 1 2 374.890 2.152 20 10 FECDLO CC1CCN(c2ccc(CNC(=O)N(C)CC[NH+]3CCOCC3)cc2)CC1 ZINC000108583678 543295557 /nfs/dbraw/zinc/29/55/57/543295557.db2.gz LOVZLWHAMOMCSW-UHFFFAOYSA-N 1 2 374.529 2.397 20 10 FECDLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000161512963 546132000 /nfs/dbraw/zinc/13/20/00/546132000.db2.gz IGIFOSWBNTWRDC-DOTOQJQBSA-N 1 2 355.438 2.359 20 10 FECDLO COc1ccc(O)c(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000162149908 546137537 /nfs/dbraw/zinc/13/75/37/546137537.db2.gz RPYLFIQDDUYFBA-HNNXBMFYSA-N 1 2 356.426 2.264 20 10 FECDLO COc1ccc(N2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)cc1F ZINC000177280275 546586014 /nfs/dbraw/zinc/58/60/14/546586014.db2.gz HURLSAZLHFDPKA-UHFFFAOYSA-N 1 2 368.412 2.373 20 10 FECDLO COc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)ccc1OCC(N)=O ZINC000187673598 548261415 /nfs/dbraw/zinc/26/14/15/548261415.db2.gz SRKBQISIBRRWKT-JTQLQIEISA-N 1 2 366.364 2.394 20 10 FECDLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(F)c(F)c3O)C2=O)n(C)n1 ZINC000187791138 548264002 /nfs/dbraw/zinc/26/40/02/548264002.db2.gz HLRFPVRHKSOOLD-ZWNOBZJWSA-N 1 2 350.369 2.168 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000271894290 550409246 /nfs/dbraw/zinc/40/92/46/550409246.db2.gz XTWDXKNLMVVJMW-GDBMZVCRSA-N 1 2 363.410 2.327 20 10 FECDLO COc1cc(O)c(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000271894290 550409249 /nfs/dbraw/zinc/40/92/49/550409249.db2.gz XTWDXKNLMVVJMW-GDBMZVCRSA-N 1 2 363.410 2.327 20 10 FECDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000276669896 550583482 /nfs/dbraw/zinc/58/34/82/550583482.db2.gz URIGQCQMRAOTAG-SJLPKXTDSA-N 1 2 357.406 2.079 20 10 FECDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000276669896 550583484 /nfs/dbraw/zinc/58/34/84/550583484.db2.gz URIGQCQMRAOTAG-SJLPKXTDSA-N 1 2 357.406 2.079 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1c1cc[nH]n1)cc2=O ZINC000285321373 551737516 /nfs/dbraw/zinc/73/75/16/551737516.db2.gz IYNMAWMIVWSYPR-HNNXBMFYSA-N 1 2 370.413 2.062 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@H]1c1cc[nH]n1)cc2=O ZINC000285321373 551737519 /nfs/dbraw/zinc/73/75/19/551737519.db2.gz IYNMAWMIVWSYPR-HNNXBMFYSA-N 1 2 370.413 2.062 20 10 FECDLO COc1cncc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000289721956 552368044 /nfs/dbraw/zinc/36/80/44/552368044.db2.gz GFLVKCGDCTUKHL-UHFFFAOYSA-N 1 2 373.453 2.438 20 10 FECDLO CN(C)c1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1F ZINC000291014060 552576456 /nfs/dbraw/zinc/57/64/56/552576456.db2.gz BNZQPRKDJVUETE-UHFFFAOYSA-N 1 2 356.445 2.436 20 10 FECDLO CN(C)c1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1F ZINC000291014060 552576458 /nfs/dbraw/zinc/57/64/58/552576458.db2.gz BNZQPRKDJVUETE-UHFFFAOYSA-N 1 2 356.445 2.436 20 10 FECDLO CCN(CC)c1ccc(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)cc1 ZINC000302334187 553714669 /nfs/dbraw/zinc/71/46/69/553714669.db2.gz VCQJHOQGIIQCAQ-UHFFFAOYSA-N 1 2 368.485 2.213 20 10 FECDLO CCN(CC)c1ccc(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)cc1 ZINC000302334187 553714673 /nfs/dbraw/zinc/71/46/73/553714673.db2.gz VCQJHOQGIIQCAQ-UHFFFAOYSA-N 1 2 368.485 2.213 20 10 FECDLO CC(C)(C)NC(=O)CN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000367752606 556130695 /nfs/dbraw/zinc/13/06/95/556130695.db2.gz XTSUCBWZCZZBMM-UHFFFAOYSA-N 1 2 353.894 2.468 20 10 FECDLO CC(C)(C)NC(=O)CN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000367752606 556130697 /nfs/dbraw/zinc/13/06/97/556130697.db2.gz XTSUCBWZCZZBMM-UHFFFAOYSA-N 1 2 353.894 2.468 20 10 FECDLO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000370162227 556798832 /nfs/dbraw/zinc/79/88/32/556798832.db2.gz OMADZUQCWILNAG-UHFFFAOYSA-N 1 2 362.854 2.185 20 10 FECDLO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000370162227 556798835 /nfs/dbraw/zinc/79/88/35/556798835.db2.gz OMADZUQCWILNAG-UHFFFAOYSA-N 1 2 362.854 2.185 20 10 FECDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3O)CCN2C1=O ZINC000378371237 558542272 /nfs/dbraw/zinc/54/22/72/558542272.db2.gz ODXLLSIEPANXBC-LBPRGKRZSA-N 1 2 358.225 2.167 20 10 FECDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3O)CCN2C1=O ZINC000378371237 558542273 /nfs/dbraw/zinc/54/22/73/558542273.db2.gz ODXLLSIEPANXBC-LBPRGKRZSA-N 1 2 358.225 2.167 20 10 FECDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c(-c2nn[nH]n2)c1C ZINC000737546274 598702581 /nfs/dbraw/zinc/70/25/81/598702581.db2.gz CWMXLFZUCNPNTN-LLVKDONJSA-N 1 2 370.413 2.241 20 10 FECDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c(-c2nn[nH]n2)c1C ZINC000737546274 598702582 /nfs/dbraw/zinc/70/25/82/598702582.db2.gz CWMXLFZUCNPNTN-LLVKDONJSA-N 1 2 370.413 2.241 20 10 FECDLO O=C(NCCCSc1nccs1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000154637801 672219733 /nfs/dbraw/zinc/21/97/33/672219733.db2.gz YYQUKFVLEZBSCZ-AWEZNQCLSA-N 1 2 370.544 2.132 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(Cl)o3)CC2)cc1 ZINC000742920594 673741963 /nfs/dbraw/zinc/74/19/63/673741963.db2.gz KPHASEJZWKQWLU-UHFFFAOYSA-N 1 2 363.845 2.494 20 10 FECDLO CCCSCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742921166 673742034 /nfs/dbraw/zinc/74/20/34/673742034.db2.gz ZBJALONFZMSZNB-UHFFFAOYSA-N 1 2 351.516 2.077 20 10 FECDLO O=C1CC[C@@H]([NH+]2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)CCN1 ZINC000825147621 675639019 /nfs/dbraw/zinc/63/90/19/675639019.db2.gz IWFCGJJBSKBBKI-CQSZACIVSA-N 1 2 372.296 2.485 20 10 FECDLO O=C(NCc1cccc(Br)c1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000765726710 680852710 /nfs/dbraw/zinc/85/27/10/680852710.db2.gz JKAXYYNPOGFOCR-SNVBAGLBSA-N 1 2 350.216 2.230 20 10 FECDLO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000757706109 680532989 /nfs/dbraw/zinc/53/29/89/680532989.db2.gz URPCUEJCABPYAO-NSHDSACASA-N 1 2 362.442 2.383 20 10 FECDLO Oc1ccc(Br)cc1C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000848563239 681579135 /nfs/dbraw/zinc/57/91/35/681579135.db2.gz SKFOPSRJLZSXAU-LBPRGKRZSA-N 1 2 353.220 2.414 20 10 FECDLO CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000781895477 681986398 /nfs/dbraw/zinc/98/63/98/681986398.db2.gz TXSUSJHJYLZCDN-GFCCVEGCSA-N 1 2 362.289 2.472 20 10 FECDLO CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000781895477 681986400 /nfs/dbraw/zinc/98/64/00/681986400.db2.gz TXSUSJHJYLZCDN-GFCCVEGCSA-N 1 2 362.289 2.472 20 10 FECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000793074423 682861977 /nfs/dbraw/zinc/86/19/77/682861977.db2.gz HDQDZJGYYGJXBV-ZDUSSCGKSA-N 1 2 365.421 2.024 20 10 FECDLO CN(C)c1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000793074423 682861984 /nfs/dbraw/zinc/86/19/84/682861984.db2.gz HDQDZJGYYGJXBV-ZDUSSCGKSA-N 1 2 365.421 2.024 20 10 FECDLO Cn1cc([C@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2O)cn1 ZINC000883076732 687557783 /nfs/dbraw/zinc/55/77/83/687557783.db2.gz LEVSHQYXXDTLBA-LBPRGKRZSA-N 1 2 360.639 2.365 20 10 FECDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1COCO1 ZINC000894876384 689612685 /nfs/dbraw/zinc/61/26/85/689612685.db2.gz QGABPBRORYZGEF-VIFPVBQESA-N 1 2 367.037 2.380 20 10 FECDLO COc1c(O)c(C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895578277 689739342 /nfs/dbraw/zinc/73/93/42/689739342.db2.gz YALCVIGAWKZCLH-CYBMUJFWSA-N 1 2 350.293 2.462 20 10 FECDLO COc1c(O)c(C[N@H+]2CC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895578277 689739348 /nfs/dbraw/zinc/73/93/48/689739348.db2.gz YALCVIGAWKZCLH-CYBMUJFWSA-N 1 2 350.293 2.462 20 10 FECDLO Nc1nc(C2CC2)nc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000897575299 690042703 /nfs/dbraw/zinc/04/27/03/690042703.db2.gz SJQQIHWZNMPVNU-UHFFFAOYSA-N 1 2 360.849 2.012 20 10 FECDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898263063 690151755 /nfs/dbraw/zinc/15/17/55/690151755.db2.gz CZAREYLGAMZODJ-UHFFFAOYSA-N 1 2 356.195 2.310 20 10 FECDLO O=C(Cc1c[nH]c[nH+]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000900507558 690525279 /nfs/dbraw/zinc/52/52/79/690525279.db2.gz HPFNRYVBPWUHMV-UHFFFAOYSA-N 1 2 350.369 2.339 20 10 FECDLO C[C@H]([NH2+]CCCc1nnnn1C)c1cc(Br)cc(F)c1O ZINC000903348893 690884454 /nfs/dbraw/zinc/88/44/54/690884454.db2.gz NQIBVPKESXONEZ-QMMMGPOBSA-N 1 2 358.215 2.101 20 10 FECDLO CN(C)c1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000031727574 539917084 /nfs/dbraw/zinc/91/70/84/539917084.db2.gz HEZIIQQBTJFJNZ-UHFFFAOYSA-N 1 2 353.470 2.175 20 10 FECDLO C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000171632819 546216414 /nfs/dbraw/zinc/21/64/14/546216414.db2.gz CMFZTAIYLVBURJ-IRXDYDNUSA-N 1 2 360.502 2.195 20 10 FECDLO COc1ccc([C@H](NC(=O)c2cccc(O)c2O)c2[nH+]ccn2C)cc1 ZINC000192962321 548376352 /nfs/dbraw/zinc/37/63/52/548376352.db2.gz SIDRPRIOXPHXNM-INIZCTEOSA-N 1 2 353.378 2.359 20 10 FECDLO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273399739 550497115 /nfs/dbraw/zinc/49/71/15/550497115.db2.gz MURMZDMZFUMEQR-LLVKDONJSA-N 1 2 365.411 2.059 20 10 FECDLO COc1ccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cn1 ZINC000273568127 550503339 /nfs/dbraw/zinc/50/33/39/550503339.db2.gz FILKTQBSHDMOIK-UHFFFAOYSA-N 1 2 373.453 2.438 20 10 FECDLO COc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000274846115 550559122 /nfs/dbraw/zinc/55/91/22/550559122.db2.gz ACYSPZJDAFGZRP-AWEZNQCLSA-N 1 2 352.431 2.126 20 10 FECDLO COc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000274846115 550559123 /nfs/dbraw/zinc/55/91/23/550559123.db2.gz ACYSPZJDAFGZRP-AWEZNQCLSA-N 1 2 352.431 2.126 20 10 FECDLO COc1c(O)c(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278164056 550756044 /nfs/dbraw/zinc/75/60/44/550756044.db2.gz DWPJRUDQRFIZSZ-JTQLQIEISA-N 1 2 363.336 2.377 20 10 FECDLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Cl)c1O ZINC000293933482 552868983 /nfs/dbraw/zinc/86/89/83/552868983.db2.gz NSGDULLVZRJUTH-UHFFFAOYSA-N 1 2 370.858 2.204 20 10 FECDLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Cl)c1O ZINC000293933482 552868985 /nfs/dbraw/zinc/86/89/85/552868985.db2.gz NSGDULLVZRJUTH-UHFFFAOYSA-N 1 2 370.858 2.204 20 10 FECDLO COc1cccc(CN2CCNC(=O)[C@H]2c2c(C)[nH+]c3ccccn32)c1O ZINC000362376411 554967794 /nfs/dbraw/zinc/96/77/94/554967794.db2.gz NOAPEKRBOWIBFT-GOSISDBHSA-N 1 2 366.421 2.030 20 10 FECDLO NC(=O)c1noc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000364232785 555275343 /nfs/dbraw/zinc/27/53/43/555275343.db2.gz AIIZOXGJMRGMSN-MRXNPFEDSA-N 1 2 355.442 2.496 20 10 FECDLO NC(=O)c1noc([C@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000364232785 555275346 /nfs/dbraw/zinc/27/53/46/555275346.db2.gz AIIZOXGJMRGMSN-MRXNPFEDSA-N 1 2 355.442 2.496 20 10 FECDLO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc(F)c(F)c1O ZINC000364800937 555406635 /nfs/dbraw/zinc/40/66/35/555406635.db2.gz AZHCZXXWQAZTGV-FZKQIMNGSA-N 1 2 356.413 2.202 20 10 FECDLO C[C@@H](NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000364941232 555444387 /nfs/dbraw/zinc/44/43/87/555444387.db2.gz FJRPJDAZDRGAKU-IAGOWNOFSA-N 1 2 372.513 2.270 20 10 FECDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000368421246 556304504 /nfs/dbraw/zinc/30/45/04/556304504.db2.gz CEBGIURPCWRPJA-IAGOWNOFSA-N 1 2 355.438 2.359 20 10 FECDLO COc1ccc(O)c(CN2CCNC(=O)[C@H]2c2c(C)[nH+]c3ccccn32)c1 ZINC000371426783 557183395 /nfs/dbraw/zinc/18/33/95/557183395.db2.gz RDFCWUULMVQOGF-LJQANCHMSA-N 1 2 366.421 2.030 20 10 FECDLO COc1cccc(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000375008154 557963006 /nfs/dbraw/zinc/96/30/06/557963006.db2.gz KJUXHSSBANVUTN-ZBFHGGJFSA-N 1 2 364.442 2.221 20 10 FECDLO COc1cccc(C[N@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000375008154 557963008 /nfs/dbraw/zinc/96/30/08/557963008.db2.gz KJUXHSSBANVUTN-ZBFHGGJFSA-N 1 2 364.442 2.221 20 10 FECDLO COc1c(O)c(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000375716521 558072139 /nfs/dbraw/zinc/07/21/39/558072139.db2.gz CGFMLNWKVYPISS-VHDGCEQUSA-N 1 2 352.387 2.077 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000375716521 558072141 /nfs/dbraw/zinc/07/21/41/558072141.db2.gz CGFMLNWKVYPISS-VHDGCEQUSA-N 1 2 352.387 2.077 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000471496005 561005790 /nfs/dbraw/zinc/00/57/90/561005790.db2.gz JUZNLLZTJHFLNA-UHFFFAOYSA-N 1 2 358.486 2.397 20 10 FECDLO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135974102 672136515 /nfs/dbraw/zinc/13/65/15/672136515.db2.gz ZKEGTGULVKSWPF-MRXNPFEDSA-N 1 2 356.495 2.315 20 10 FECDLO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cccc(Br)c1O ZINC000174638857 672362015 /nfs/dbraw/zinc/36/20/15/672362015.db2.gz NRTYFTYCHUGXBH-UHFFFAOYSA-N 1 2 350.278 2.458 20 10 FECDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000179334070 672401049 /nfs/dbraw/zinc/40/10/49/672401049.db2.gz PWZIJMAQCOLPDR-LBPRGKRZSA-N 1 2 357.248 2.264 20 10 FECDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000179334070 672401050 /nfs/dbraw/zinc/40/10/50/672401050.db2.gz PWZIJMAQCOLPDR-LBPRGKRZSA-N 1 2 357.248 2.264 20 10 FECDLO COC(=O)CN(Cc1c[nH+]c(N(C)C)n1C)Cc1cc(Cl)ccc1O ZINC000822442374 675484880 /nfs/dbraw/zinc/48/48/80/675484880.db2.gz DFRNKCIGLJQUCB-UHFFFAOYSA-N 1 2 366.849 2.020 20 10 FECDLO CCS(=O)(=O)N1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827596069 675767076 /nfs/dbraw/zinc/76/70/76/675767076.db2.gz VDNRUGPMRXBAIC-UHFFFAOYSA-N 1 2 365.543 2.453 20 10 FECDLO O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000777403479 681490736 /nfs/dbraw/zinc/49/07/36/681490736.db2.gz FISVCDBSEUCMLY-RAXLEYEMSA-N 1 2 367.471 2.144 20 10 FECDLO COCc1n[nH]c(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)n1 ZINC000850515628 681911044 /nfs/dbraw/zinc/91/10/44/681911044.db2.gz GLGWCDGTDMQWTC-MRVPVSSYSA-N 1 2 371.235 2.279 20 10 FECDLO Cc1cc(C[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)ccc1N1CCCCC1 ZINC000852529967 682296420 /nfs/dbraw/zinc/29/64/20/682296420.db2.gz PSCQZCYOQSGJEV-QGZVFWFLSA-N 1 2 365.543 2.451 20 10 FECDLO Cc1cc(C[N@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)ccc1N1CCCCC1 ZINC000852529967 682296424 /nfs/dbraw/zinc/29/64/24/682296424.db2.gz PSCQZCYOQSGJEV-QGZVFWFLSA-N 1 2 365.543 2.451 20 10 FECDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792162818 682792967 /nfs/dbraw/zinc/79/29/67/682792967.db2.gz PUMZUOPPKDMYMR-SNVBAGLBSA-N 1 2 350.843 2.088 20 10 FECDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792162818 682792970 /nfs/dbraw/zinc/79/29/70/682792970.db2.gz PUMZUOPPKDMYMR-SNVBAGLBSA-N 1 2 350.843 2.088 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC000877791913 686462816 /nfs/dbraw/zinc/46/28/16/686462816.db2.gz KXJQRLQMPLPDLD-CMPLNLGQSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC000877791913 686462822 /nfs/dbraw/zinc/46/28/22/686462822.db2.gz KXJQRLQMPLPDLD-CMPLNLGQSA-N 1 2 360.273 2.021 20 10 FECDLO O=C1C[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CN1C1CC1 ZINC000883158692 687578483 /nfs/dbraw/zinc/57/84/83/687578483.db2.gz OURVFLBWTHOXNT-SECBINFHSA-N 1 2 357.223 2.394 20 10 FECDLO COc1ccc(C[N@H+](CCO)Cc2cccnc2Cl)c(O)c1OC ZINC000894181976 689481615 /nfs/dbraw/zinc/48/16/15/689481615.db2.gz DILNSAMOKNXEKB-UHFFFAOYSA-N 1 2 352.818 2.452 20 10 FECDLO COc1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)c(O)c1OC ZINC000894181976 689481617 /nfs/dbraw/zinc/48/16/17/689481617.db2.gz DILNSAMOKNXEKB-UHFFFAOYSA-N 1 2 352.818 2.452 20 10 FECDLO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cccc(Br)c2O)C1(F)F ZINC000894571208 689557445 /nfs/dbraw/zinc/55/74/45/689557445.db2.gz NUABEJRIRMHDFX-SCZZXKLOSA-N 1 2 350.159 2.299 20 10 FECDLO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000895550767 689733972 /nfs/dbraw/zinc/73/39/72/689733972.db2.gz KMSKSOHCJVDSPM-UHFFFAOYSA-N 1 2 369.868 2.491 20 10 FECDLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900868503 690577153 /nfs/dbraw/zinc/57/71/53/690577153.db2.gz IOZJEMIGZAIHMR-GFCCVEGCSA-N 1 2 350.369 2.339 20 10 FECDLO COCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccco1 ZINC000046062323 540241128 /nfs/dbraw/zinc/24/11/28/540241128.db2.gz ABWSHQRCYURYSL-UHFFFAOYSA-N 1 2 359.470 2.453 20 10 FECDLO COCC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccco1 ZINC000046062323 540241130 /nfs/dbraw/zinc/24/11/30/540241130.db2.gz ABWSHQRCYURYSL-UHFFFAOYSA-N 1 2 359.470 2.453 20 10 FECDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000047028630 540285580 /nfs/dbraw/zinc/28/55/80/540285580.db2.gz QXJQLBICLHFSQO-DOTOQJQBSA-N 1 2 358.442 2.368 20 10 FECDLO COC(=O)c1sc2[nH]c(C[N@H+](C)Cc3ccccc3O)nc(=O)c2c1C ZINC000109769478 543338385 /nfs/dbraw/zinc/33/83/85/543338385.db2.gz RMJGYIQTBKIGDL-UHFFFAOYSA-N 1 2 373.434 2.417 20 10 FECDLO COC(=O)c1sc2[nH]c(C[N@@H+](C)Cc3ccccc3O)nc(=O)c2c1C ZINC000109769478 543338386 /nfs/dbraw/zinc/33/83/86/543338386.db2.gz RMJGYIQTBKIGDL-UHFFFAOYSA-N 1 2 373.434 2.417 20 10 FECDLO COC[C@@H](O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000802659977 674190671 /nfs/dbraw/zinc/19/06/71/674190671.db2.gz SWUYGMUHFLIWPT-VIFPVBQESA-N 1 2 369.053 2.014 20 10 FECDLO Oc1ccc(Br)cc1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000804828679 674302918 /nfs/dbraw/zinc/30/29/18/674302918.db2.gz WAVFWYJWGMTWDO-UHFFFAOYSA-N 1 2 365.231 2.393 20 10 FECDLO Oc1ccc(Br)cc1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000804828679 674302922 /nfs/dbraw/zinc/30/29/22/674302922.db2.gz WAVFWYJWGMTWDO-UHFFFAOYSA-N 1 2 365.231 2.393 20 10 FECDLO COc1cc(O)c(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1OC ZINC000179973977 547034942 /nfs/dbraw/zinc/03/49/42/547034942.db2.gz OPYYYERNHHHLDO-UHFFFAOYSA-N 1 2 358.438 2.433 20 10 FECDLO CNS(=O)(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000271154543 550345965 /nfs/dbraw/zinc/34/59/65/550345965.db2.gz CKIBICQARQXDLL-UHFFFAOYSA-N 1 2 353.271 2.213 20 10 FECDLO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc([N+](=O)[O-])ccc1O ZINC000273438473 550498622 /nfs/dbraw/zinc/49/86/22/550498622.db2.gz XTMILSIPKAMNAF-ZDUSSCGKSA-N 1 2 358.398 2.383 20 10 FECDLO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276666281 550583354 /nfs/dbraw/zinc/58/33/54/550583354.db2.gz YQWQBZKMVJEPKV-VMPITWQZSA-N 1 2 374.466 2.043 20 10 FECDLO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922681 550611439 /nfs/dbraw/zinc/61/14/39/550611439.db2.gz MTXFZTXEUCHGJY-WFASDCNBSA-N 1 2 355.429 2.264 20 10 FECDLO C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922681 550611440 /nfs/dbraw/zinc/61/14/40/550611440.db2.gz MTXFZTXEUCHGJY-WFASDCNBSA-N 1 2 355.429 2.264 20 10 FECDLO COC[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000279666464 550914492 /nfs/dbraw/zinc/91/44/92/550914492.db2.gz HAJREKBOBSBYOH-VIFPVBQESA-N 1 2 369.053 2.014 20 10 FECDLO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000285780422 551809791 /nfs/dbraw/zinc/80/97/91/551809791.db2.gz UPZIIMCMIQMTKO-IINYFYTJSA-N 1 2 363.336 2.214 20 10 FECDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000287593878 552022942 /nfs/dbraw/zinc/02/29/42/552022942.db2.gz QPIDAWJEJSISRI-QFBILLFUSA-N 1 2 372.513 2.074 20 10 FECDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000287593871 552023046 /nfs/dbraw/zinc/02/30/46/552023046.db2.gz QPIDAWJEJSISRI-LPHOPBHVSA-N 1 2 372.513 2.074 20 10 FECDLO COCCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000294951384 552946875 /nfs/dbraw/zinc/94/68/75/552946875.db2.gz QEERCAWBBAFJEP-LBPRGKRZSA-N 1 2 365.854 2.210 20 10 FECDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1O ZINC000361065710 554902924 /nfs/dbraw/zinc/90/29/24/554902924.db2.gz IANDFMORQDVDPL-GOSISDBHSA-N 1 2 354.385 2.161 20 10 FECDLO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000370355426 556849165 /nfs/dbraw/zinc/84/91/65/556849165.db2.gz OESCSAUBVQXRPH-GOSISDBHSA-N 1 2 358.463 2.141 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)NOC[C@H]3CCOC3)CC2)cc1 ZINC000373756393 557752287 /nfs/dbraw/zinc/75/22/87/557752287.db2.gz DTPGYSHNRKTWHQ-HNNXBMFYSA-N 1 2 363.458 2.274 20 10 FECDLO CC[C@H]1C[N@H+](CCNC(=O)NCc2c(C)c3ccccc3n2C)CCO1 ZINC000472241550 561021730 /nfs/dbraw/zinc/02/17/30/561021730.db2.gz QRRBSXRHKKHJPD-INIZCTEOSA-N 1 2 358.486 2.397 20 10 FECDLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2c(C)c3ccccc3n2C)CCO1 ZINC000472241550 561021731 /nfs/dbraw/zinc/02/17/31/561021731.db2.gz QRRBSXRHKKHJPD-INIZCTEOSA-N 1 2 358.486 2.397 20 10 FECDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)nn1 ZINC000816569707 675065781 /nfs/dbraw/zinc/06/57/81/675065781.db2.gz UJUJKFQXTOBOIU-JTQLQIEISA-N 1 2 354.769 2.010 20 10 FECDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)nn1 ZINC000816569707 675065784 /nfs/dbraw/zinc/06/57/84/675065784.db2.gz UJUJKFQXTOBOIU-JTQLQIEISA-N 1 2 354.769 2.010 20 10 FECDLO Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCC[NH+]3CCOCC3)cc12 ZINC000817151932 675106245 /nfs/dbraw/zinc/10/62/45/675106245.db2.gz HJVAEEUZWHCOTD-UHFFFAOYSA-N 1 2 366.483 2.226 20 10 FECDLO CC[N@H+](Cc1cccc(Br)c1O)[C@H](C)CS(C)(=O)=O ZINC000093390907 670751881 /nfs/dbraw/zinc/75/18/81/670751881.db2.gz OHFDXBHCPPBFFZ-SNVBAGLBSA-N 1 2 350.278 2.410 20 10 FECDLO CC[N@@H+](Cc1cccc(Br)c1O)[C@H](C)CS(C)(=O)=O ZINC000093390907 670751884 /nfs/dbraw/zinc/75/18/84/670751884.db2.gz OHFDXBHCPPBFFZ-SNVBAGLBSA-N 1 2 350.278 2.410 20 10 FECDLO CC(C)(C)OC(=O)NCC(F)(F)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000310642277 673025139 /nfs/dbraw/zinc/02/51/39/673025139.db2.gz JQVHSUUSMHJUKM-UHFFFAOYSA-N 1 2 360.357 2.371 20 10 FECDLO Cc1cc(Br)cc(C[NH+]2CCC(S(C)(=O)=O)CC2)c1O ZINC000313640738 673030103 /nfs/dbraw/zinc/03/01/03/673030103.db2.gz ZZDFQZQIOQOORN-UHFFFAOYSA-N 1 2 362.289 2.472 20 10 FECDLO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715813086 673073511 /nfs/dbraw/zinc/07/35/11/673073511.db2.gz LNPRRRIOFLQYLV-NSHDSACASA-N 1 2 366.252 2.351 20 10 FECDLO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Br)cc(F)c1O ZINC000818362045 675216167 /nfs/dbraw/zinc/21/61/67/675216167.db2.gz OSNLOVNVMBSFOE-HQJQHLMTSA-N 1 2 359.195 2.092 20 10 FECDLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000829022224 675859756 /nfs/dbraw/zinc/85/97/56/675859756.db2.gz VASRUMKFGWFDAS-LBPRGKRZSA-N 1 2 350.369 2.339 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000840910261 680852272 /nfs/dbraw/zinc/85/22/72/680852272.db2.gz PKLJMQVWMRSPQZ-UHFFFAOYSA-N 1 2 365.905 2.484 20 10 FECDLO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(Br)cc(F)c1O ZINC000834904978 680281327 /nfs/dbraw/zinc/28/13/27/680281327.db2.gz RNOGLDFGYCURPY-SNVBAGLBSA-N 1 2 361.255 2.401 20 10 FECDLO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(F)cc(F)c1O ZINC000756748327 680496283 /nfs/dbraw/zinc/49/62/83/680496283.db2.gz WSXXPNLGOHHYTL-JTQLQIEISA-N 1 2 360.426 2.278 20 10 FECDLO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(Br)c(F)cc1O ZINC000757639809 680529471 /nfs/dbraw/zinc/52/94/71/680529471.db2.gz UTIKEBUATOXSMB-QMMMGPOBSA-N 1 2 371.210 2.098 20 10 FECDLO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)ccc1N(C)C ZINC000852340933 682263881 /nfs/dbraw/zinc/26/38/81/682263881.db2.gz ZTCCHDFQERQCCF-ZFWWWQNUSA-N 1 2 364.433 2.468 20 10 FECDLO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)ccc1N(C)C ZINC000852340933 682263884 /nfs/dbraw/zinc/26/38/84/682263884.db2.gz ZTCCHDFQERQCCF-ZFWWWQNUSA-N 1 2 364.433 2.468 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)C3(SC)CCC3)CC2)cc1 ZINC000787248556 682445488 /nfs/dbraw/zinc/44/54/88/682445488.db2.gz ULXOCAIYRNTZKY-UHFFFAOYSA-N 1 2 363.527 2.219 20 10 FECDLO CCC(CC)[C@H](C(=O)NCc1ccc(OC)cc1O)[NH+]1CCOCC1 ZINC000794381690 682963347 /nfs/dbraw/zinc/96/33/47/682963347.db2.gz RCFOAYGIPOTHMV-GOSISDBHSA-N 1 2 350.459 2.154 20 10 FECDLO COC[C@@]1(C)C[N@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000862551759 683600922 /nfs/dbraw/zinc/60/09/22/683600922.db2.gz PGZOPNPPSHJTHF-OAHLLOKOSA-N 1 2 360.248 2.401 20 10 FECDLO COC[C@@]1(C)C[N@@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000862551759 683600925 /nfs/dbraw/zinc/60/09/25/683600925.db2.gz PGZOPNPPSHJTHF-OAHLLOKOSA-N 1 2 360.248 2.401 20 10 FECDLO C[NH+](C)C1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000867271415 684236257 /nfs/dbraw/zinc/23/62/57/684236257.db2.gz YFCOKQMDNKUBCH-UHFFFAOYSA-N 1 2 353.271 2.213 20 10 FECDLO COc1cc(Cl)cc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)c1O ZINC000877776854 686453920 /nfs/dbraw/zinc/45/39/20/686453920.db2.gz DGQDLAIULFQWRJ-UHFFFAOYSA-N 1 2 352.740 2.165 20 10 FECDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(=O)NCCF ZINC000883112571 687568294 /nfs/dbraw/zinc/56/82/94/687568294.db2.gz QQSGYTHTTGCYOR-ZETCQYMHSA-N 1 2 353.619 2.372 20 10 FECDLO CCS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883146141 687576354 /nfs/dbraw/zinc/57/63/54/687576354.db2.gz BVIFNZZPBPHICF-UHFFFAOYSA-N 1 2 354.241 2.208 20 10 FECDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000883185954 687583523 /nfs/dbraw/zinc/58/35/23/687583523.db2.gz HSDCYPWJCMVDOJ-VXGBXAGGSA-N 1 2 350.640 2.438 20 10 FECDLO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000896594540 689902948 /nfs/dbraw/zinc/90/29/48/689902948.db2.gz VVFMFNKQFTXCQW-UHFFFAOYSA-N 1 2 364.870 2.479 20 10 FECDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897600830 690046860 /nfs/dbraw/zinc/04/68/60/690046860.db2.gz UQVVTKBDVQZYDU-UHFFFAOYSA-N 1 2 364.467 2.495 20 10 FECDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897600830 690046862 /nfs/dbraw/zinc/04/68/62/690046862.db2.gz UQVVTKBDVQZYDU-UHFFFAOYSA-N 1 2 364.467 2.495 20 10 FECDLO O=c1cc(N2CC[C@@H]([NH2+]Cc3cccc(Br)c3O)C2)nc[nH]1 ZINC000898159065 690136046 /nfs/dbraw/zinc/13/60/46/690136046.db2.gz MNOFOCQFMNPMMA-LLVKDONJSA-N 1 2 365.231 2.019 20 10 FECDLO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000095446856 209051566 /nfs/dbraw/zinc/05/15/66/209051566.db2.gz IOFNPUNBWZVMQP-MVMOUZJFSA-N 1 2 354.410 2.468 20 10 FECDLO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000095446856 209051567 /nfs/dbraw/zinc/05/15/67/209051567.db2.gz IOFNPUNBWZVMQP-MVMOUZJFSA-N 1 2 354.410 2.468 20 10 FECDLO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000104595715 543135267 /nfs/dbraw/zinc/13/52/67/543135267.db2.gz VVDFWHWHZCGYNJ-HOTGVXAUSA-N 1 2 356.470 2.328 20 10 FECDLO C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000805221186 674326352 /nfs/dbraw/zinc/32/63/52/674326352.db2.gz GLFSVPRBDPDRSB-ZANVPECISA-N 1 2 362.257 2.217 20 10 FECDLO C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000805221186 674326354 /nfs/dbraw/zinc/32/63/54/674326354.db2.gz GLFSVPRBDPDRSB-ZANVPECISA-N 1 2 362.257 2.217 20 10 FECDLO Cc1c(/C=C/C(=O)N(CC[NH+]2CCOCC2)c2ccccc2)cnn1C ZINC000161717703 546132607 /nfs/dbraw/zinc/13/26/07/546132607.db2.gz SHBKFGZIDULOJN-CMDGGOBGSA-N 1 2 354.454 2.107 20 10 FECDLO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179552694 546975503 /nfs/dbraw/zinc/97/55/03/546975503.db2.gz AJEFJJZQXABWPK-UHFFFAOYSA-N 1 2 350.415 2.038 20 10 FECDLO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1O ZINC000186078040 548081393 /nfs/dbraw/zinc/08/13/93/548081393.db2.gz SMVRAQOTPKNCJV-SECBINFHSA-N 1 2 356.271 2.411 20 10 FECDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1O ZINC000187790369 548263849 /nfs/dbraw/zinc/26/38/49/548263849.db2.gz DNVVOXIHUPISOM-MFKMUULPSA-N 1 2 350.369 2.250 20 10 FECDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157756 548318554 /nfs/dbraw/zinc/31/85/54/548318554.db2.gz KDICTWLDCFKXPE-QZTJIDSGSA-N 1 2 358.442 2.177 20 10 FECDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157756 548318557 /nfs/dbraw/zinc/31/85/57/548318557.db2.gz KDICTWLDCFKXPE-QZTJIDSGSA-N 1 2 358.442 2.177 20 10 FECDLO C[C@H](C(=O)NCCc1ccc(N)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237442997 548827154 /nfs/dbraw/zinc/82/71/54/548827154.db2.gz VAXYJWYXXXHRIK-MRXNPFEDSA-N 1 2 370.472 2.277 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000271894292 550409371 /nfs/dbraw/zinc/40/93/71/550409371.db2.gz XTWDXKNLMVVJMW-HOCLYGCPSA-N 1 2 363.410 2.327 20 10 FECDLO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000271894292 550409373 /nfs/dbraw/zinc/40/93/73/550409373.db2.gz XTWDXKNLMVVJMW-HOCLYGCPSA-N 1 2 363.410 2.327 20 10 FECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277381832 550663864 /nfs/dbraw/zinc/66/38/64/550663864.db2.gz CMMGDZCHDZGEQK-UHFFFAOYSA-N 1 2 360.502 2.149 20 10 FECDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278382469 550779348 /nfs/dbraw/zinc/77/93/48/550779348.db2.gz LXYPWWXJUVOSGW-SUHUHFCYSA-N 1 2 350.371 2.083 20 10 FECDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278382469 550779350 /nfs/dbraw/zinc/77/93/50/550779350.db2.gz LXYPWWXJUVOSGW-SUHUHFCYSA-N 1 2 350.371 2.083 20 10 FECDLO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(F)c(F)c1O ZINC000284497931 551562756 /nfs/dbraw/zinc/56/27/56/551562756.db2.gz AMJVDIGYIZBJBT-OMXAPOSASA-N 1 2 364.396 2.417 20 10 FECDLO COc1ccncc1C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000287550387 552018273 /nfs/dbraw/zinc/01/82/73/552018273.db2.gz AQRPEYCWQOUYNP-UHFFFAOYSA-N 1 2 373.453 2.438 20 10 FECDLO COCc1noc(CN2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000294663050 552924791 /nfs/dbraw/zinc/92/47/91/552924791.db2.gz LOYGMQJMDBDUQG-UHFFFAOYSA-N 1 2 370.812 2.032 20 10 FECDLO COc1ccc(N2CCC(Nc3nc4c(cnn4C)c(N)[nH+]3)CC2)cc1 ZINC000302546507 553720521 /nfs/dbraw/zinc/72/05/21/553720521.db2.gz IXZHMZXZKGQEHS-UHFFFAOYSA-N 1 2 353.430 2.035 20 10 FECDLO O=c1n(CC(F)F)nc2n1CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000366025275 555730621 /nfs/dbraw/zinc/73/06/21/555730621.db2.gz QZIMBGSQKRSLQO-UHFFFAOYSA-N 1 2 360.364 2.185 20 10 FECDLO O=c1n(CC(F)F)nc2n1CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000366025275 555730623 /nfs/dbraw/zinc/73/06/23/555730623.db2.gz QZIMBGSQKRSLQO-UHFFFAOYSA-N 1 2 360.364 2.185 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791235 555935197 /nfs/dbraw/zinc/93/51/97/555935197.db2.gz CGSGBBDQLUSZIE-ZJNRKIDTSA-N 1 2 366.414 2.467 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791235 555935198 /nfs/dbraw/zinc/93/51/98/555935198.db2.gz CGSGBBDQLUSZIE-ZJNRKIDTSA-N 1 2 366.414 2.467 20 10 FECDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000367227303 556003679 /nfs/dbraw/zinc/00/36/79/556003679.db2.gz YNYVZTPRWKJVJV-INIZCTEOSA-N 1 2 356.422 2.082 20 10 FECDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000367227303 556003683 /nfs/dbraw/zinc/00/36/83/556003683.db2.gz YNYVZTPRWKJVJV-INIZCTEOSA-N 1 2 356.422 2.082 20 10 FECDLO CC[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cccc(Cl)c1O ZINC000367897092 556167480 /nfs/dbraw/zinc/16/74/80/556167480.db2.gz RBKIHHYZGCITKG-AWEZNQCLSA-N 1 2 350.854 2.279 20 10 FECDLO O=C1NCC[N@@H+](Cc2cc(F)ccc2O)[C@@H]1Cc1nc2ccccc2o1 ZINC000368050754 556204808 /nfs/dbraw/zinc/20/48/08/556204808.db2.gz HNFLRHLUYDLMPY-OAHLLOKOSA-N 1 2 355.369 2.216 20 10 FECDLO O=C1NCC[N@H+](Cc2cc(F)ccc2O)[C@@H]1Cc1nc2ccccc2o1 ZINC000368050754 556204812 /nfs/dbraw/zinc/20/48/12/556204812.db2.gz HNFLRHLUYDLMPY-OAHLLOKOSA-N 1 2 355.369 2.216 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3sccc3F)CC2)cc1 ZINC000815135601 674922497 /nfs/dbraw/zinc/92/24/97/674922497.db2.gz YLUUSPGVYALVBL-UHFFFAOYSA-N 1 2 363.458 2.448 20 10 FECDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(Br)c1O ZINC000093421122 670752961 /nfs/dbraw/zinc/75/29/61/670752961.db2.gz XXDJLLZLNAKBQE-ZJUUUORDSA-N 1 2 350.278 2.408 20 10 FECDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(Br)c1O ZINC000093421122 670752964 /nfs/dbraw/zinc/75/29/64/670752964.db2.gz XXDJLLZLNAKBQE-ZJUUUORDSA-N 1 2 350.278 2.408 20 10 FECDLO CC[C@H](SC)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000746821081 673893726 /nfs/dbraw/zinc/89/37/26/673893726.db2.gz MEZNMBOPPNPIEQ-KRWDZBQOSA-N 1 2 351.516 2.075 20 10 FECDLO Cc1cc(O)c(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC000824555199 675610114 /nfs/dbraw/zinc/61/01/14/675610114.db2.gz CKBRWOVVTUJVHO-UHFFFAOYSA-N 1 2 365.905 2.484 20 10 FECDLO Cc1cc(O)c(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC000824555199 675610115 /nfs/dbraw/zinc/61/01/15/675610115.db2.gz CKBRWOVVTUJVHO-UHFFFAOYSA-N 1 2 365.905 2.484 20 10 FECDLO O=C(NCCCn1cc[nH+]c1)NCc1cccc(Br)c1O ZINC000765419123 680841644 /nfs/dbraw/zinc/84/16/44/680841644.db2.gz DQKKJYGWXKLXFT-UHFFFAOYSA-N 1 2 353.220 2.241 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)c(Cl)c1 ZINC000840910982 680852261 /nfs/dbraw/zinc/85/22/61/680852261.db2.gz ZGKAEKSCUZAITN-ZDUSSCGKSA-N 1 2 351.878 2.139 20 10 FECDLO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2nc(N)nc(Cl)n2)cc1 ZINC000844401401 681056626 /nfs/dbraw/zinc/05/66/26/681056626.db2.gz KUQMJYDSCNYTGC-NSHDSACASA-N 1 2 350.854 2.245 20 10 FECDLO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2nc(N)nc(Cl)n2)cc1 ZINC000844401401 681056629 /nfs/dbraw/zinc/05/66/29/681056629.db2.gz KUQMJYDSCNYTGC-NSHDSACASA-N 1 2 350.854 2.245 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CN=NC3=O)CC2)c1O ZINC000846881935 681302682 /nfs/dbraw/zinc/30/26/82/681302682.db2.gz HJSNUGDVLVTALF-UHFFFAOYSA-N 1 2 350.806 2.382 20 10 FECDLO O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)N1CCOCC1 ZINC000775647867 681321739 /nfs/dbraw/zinc/32/17/39/681321739.db2.gz FVIITUWCZCOTEY-LBPRGKRZSA-N 1 2 356.825 2.256 20 10 FECDLO O=C([C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)N1CCOCC1 ZINC000775647867 681321745 /nfs/dbraw/zinc/32/17/45/681321745.db2.gz FVIITUWCZCOTEY-LBPRGKRZSA-N 1 2 356.825 2.256 20 10 FECDLO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000776249475 681376570 /nfs/dbraw/zinc/37/65/70/681376570.db2.gz YQAVAHUCHYTBPX-UHFFFAOYSA-N 1 2 362.854 2.231 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)c1 ZINC000781913248 681988745 /nfs/dbraw/zinc/98/87/45/681988745.db2.gz RJNCGGLVGFOIHJ-JTQLQIEISA-N 1 2 350.278 2.328 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)c1 ZINC000781913248 681988748 /nfs/dbraw/zinc/98/87/48/681988748.db2.gz RJNCGGLVGFOIHJ-JTQLQIEISA-N 1 2 350.278 2.328 20 10 FECDLO Cn1ccnc1[C@](O)(C[NH2+]Cc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000790958622 682716025 /nfs/dbraw/zinc/71/60/25/682716025.db2.gz HCDSNNHDEWKFBT-CYBMUJFWSA-N 1 2 367.730 2.458 20 10 FECDLO C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)CN1CCOCC1 ZINC000883015832 687546970 /nfs/dbraw/zinc/54/69/70/687546970.db2.gz FOWRYOSHXPGPIJ-LLVKDONJSA-N 1 2 361.255 2.352 20 10 FECDLO OCCN1CCCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883132177 687573303 /nfs/dbraw/zinc/57/33/03/687573303.db2.gz IFKOHLPEKLRXFT-ZDUSSCGKSA-N 1 2 361.255 2.230 20 10 FECDLO CNC(=O)NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000895001226 689637954 /nfs/dbraw/zinc/63/79/54/689637954.db2.gz LHAGHXARPQIAAQ-UHFFFAOYSA-N 1 2 360.227 2.187 20 10 FECDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000180234066 547070782 /nfs/dbraw/zinc/07/07/82/547070782.db2.gz IMGUIDQAZFDJDM-QWHCGFSZSA-N 1 2 358.232 2.225 20 10 FECDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000180234066 547070785 /nfs/dbraw/zinc/07/07/85/547070785.db2.gz IMGUIDQAZFDJDM-QWHCGFSZSA-N 1 2 358.232 2.225 20 10 FECDLO CCN1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)CC1=O ZINC000191544147 548346847 /nfs/dbraw/zinc/34/68/47/548346847.db2.gz OVVATJJEFKLXIO-UHFFFAOYSA-N 1 2 357.248 2.218 20 10 FECDLO CCN1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)CC1=O ZINC000191544147 548346853 /nfs/dbraw/zinc/34/68/53/548346853.db2.gz OVVATJJEFKLXIO-UHFFFAOYSA-N 1 2 357.248 2.218 20 10 FECDLO COc1cccc(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1O ZINC000269287102 550176892 /nfs/dbraw/zinc/17/68/92/550176892.db2.gz SQKQINWVUHMVMH-UHFFFAOYSA-N 1 2 372.425 2.263 20 10 FECDLO COc1cccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)n1 ZINC000273616809 550505462 /nfs/dbraw/zinc/50/54/62/550505462.db2.gz PTVPTCCTSSREIN-UHFFFAOYSA-N 1 2 373.453 2.438 20 10 FECDLO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1O ZINC000276932144 550612702 /nfs/dbraw/zinc/61/27/02/550612702.db2.gz OMPSEYRCTLKNTJ-QMTHXVAHSA-N 1 2 350.369 2.250 20 10 FECDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)O1 ZINC000282484923 551235759 /nfs/dbraw/zinc/23/57/59/551235759.db2.gz PEIBIKSWUUJZQN-DBKYECNBSA-N 1 2 365.401 2.417 20 10 FECDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)O1 ZINC000282484923 551235761 /nfs/dbraw/zinc/23/57/61/551235761.db2.gz PEIBIKSWUUJZQN-DBKYECNBSA-N 1 2 365.401 2.417 20 10 FECDLO Cc1cccc(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000283088409 551309911 /nfs/dbraw/zinc/30/99/11/551309911.db2.gz RYPJGROZUHVJKP-UHFFFAOYSA-N 1 2 362.442 2.192 20 10 FECDLO Cc1cccc(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000283088409 551309912 /nfs/dbraw/zinc/30/99/12/551309912.db2.gz RYPJGROZUHVJKP-UHFFFAOYSA-N 1 2 362.442 2.192 20 10 FECDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000293887312 552865152 /nfs/dbraw/zinc/86/51/52/552865152.db2.gz DMEQTNHENIDMEY-UHFFFAOYSA-N 1 2 359.357 2.398 20 10 FECDLO COC(=O)Cn1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000294544967 552914716 /nfs/dbraw/zinc/91/47/16/552914716.db2.gz JMKBSACBONHBGR-UHFFFAOYSA-N 1 2 357.458 2.073 20 10 FECDLO COC(=O)Cn1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000294544967 552914718 /nfs/dbraw/zinc/91/47/18/552914718.db2.gz JMKBSACBONHBGR-UHFFFAOYSA-N 1 2 357.458 2.073 20 10 FECDLO O=C(NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1)c1cccc(O)c1O ZINC000364828705 555409430 /nfs/dbraw/zinc/40/94/30/555409430.db2.gz GKIZYGUALKQOSR-UHFFFAOYSA-N 1 2 352.394 2.373 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)Cn3ccc(C)cc3=O)CC2)cc1 ZINC000365666989 555636011 /nfs/dbraw/zinc/63/60/11/555636011.db2.gz CTHGKKBGWDCHMP-UHFFFAOYSA-N 1 2 369.465 2.293 20 10 FECDLO O=C([C@H]1CCc2[nH+]ccn2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000368421249 556304589 /nfs/dbraw/zinc/30/45/89/556304589.db2.gz CEBGIURPCWRPJA-IRXDYDNUSA-N 1 2 355.438 2.359 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(F)c(F)c1O ZINC000372665039 557532471 /nfs/dbraw/zinc/53/24/71/557532471.db2.gz YPKFHVSUKFWDFK-YAXFVEMYSA-N 1 2 353.369 2.042 20 10 FECDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000808212462 674447186 /nfs/dbraw/zinc/44/71/86/674447186.db2.gz HUCFQKKPRNJPIC-CQSZACIVSA-N 1 2 351.443 2.462 20 10 FECDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000808212462 674447188 /nfs/dbraw/zinc/44/71/88/674447188.db2.gz HUCFQKKPRNJPIC-CQSZACIVSA-N 1 2 351.443 2.462 20 10 FECDLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809702554 674506022 /nfs/dbraw/zinc/50/60/22/674506022.db2.gz VIAYSVVDSVOYNU-QMTHXVAHSA-N 1 2 364.870 2.382 20 10 FECDLO O=C([C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O)N1CCOCC1 ZINC000816502841 675060586 /nfs/dbraw/zinc/06/05/86/675060586.db2.gz SGMVKQQONNLEQG-OAHLLOKOSA-N 1 2 356.825 2.398 20 10 FECDLO O=C([C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O)N1CCOCC1 ZINC000816502841 675060587 /nfs/dbraw/zinc/06/05/87/675060587.db2.gz SGMVKQQONNLEQG-OAHLLOKOSA-N 1 2 356.825 2.398 20 10 FECDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)s1 ZINC000822498196 675488828 /nfs/dbraw/zinc/48/88/28/675488828.db2.gz VXGOLODMYDYJQM-MRVPVSSYSA-N 1 2 367.383 2.403 20 10 FECDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825562839 675658810 /nfs/dbraw/zinc/65/88/10/675658810.db2.gz QWUKDIJXOVESDG-UHFFFAOYSA-N 1 2 371.275 2.224 20 10 FECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc[nH]1 ZINC000836191841 680433738 /nfs/dbraw/zinc/43/37/38/680433738.db2.gz KBGYQHRIOMYYLV-CQSZACIVSA-N 1 2 361.829 2.337 20 10 FECDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc[nH]1 ZINC000836191841 680433742 /nfs/dbraw/zinc/43/37/42/680433742.db2.gz KBGYQHRIOMYYLV-CQSZACIVSA-N 1 2 361.829 2.337 20 10 FECDLO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756404290 680476703 /nfs/dbraw/zinc/47/67/03/680476703.db2.gz UHEQEQHJNTWKOQ-LBPRGKRZSA-N 1 2 355.429 2.312 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(F)cc(F)c1O ZINC000756840186 680500758 /nfs/dbraw/zinc/50/07/58/680500758.db2.gz UQVQONBMLLEGRE-FJHFEUQMSA-N 1 2 353.369 2.042 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844138999 681041096 /nfs/dbraw/zinc/04/10/96/681041096.db2.gz HRBWFELQAPYUKU-SNVBAGLBSA-N 1 2 350.216 2.230 20 10 FECDLO C[C@@H]1C[N@H+](CCNC(=O)NCCCSc2nccs2)[C@@H](C)CO1 ZINC000853855742 682479833 /nfs/dbraw/zinc/47/98/33/682479833.db2.gz FGBDCBHHJRVTKP-QWHCGFSZSA-N 1 2 358.533 2.034 20 10 FECDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCSc2nccs2)[C@@H](C)CO1 ZINC000853855742 682479837 /nfs/dbraw/zinc/47/98/37/682479837.db2.gz FGBDCBHHJRVTKP-QWHCGFSZSA-N 1 2 358.533 2.034 20 10 FECDLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000893236615 689318463 /nfs/dbraw/zinc/31/84/63/689318463.db2.gz ICRVBPCNTKJFJD-AWEZNQCLSA-N 1 2 368.909 2.118 20 10 FECDLO COc1cccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1O ZINC000073715473 541990317 /nfs/dbraw/zinc/99/03/17/541990317.db2.gz UEJVAHNOTIOKRN-UHFFFAOYSA-N 1 2 356.426 2.264 20 10 FECDLO CCn1cc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cn1 ZINC000184754430 547875001 /nfs/dbraw/zinc/87/50/01/547875001.db2.gz GCYFTHCYVHEVAU-UHFFFAOYSA-N 1 2 360.458 2.251 20 10 FECDLO O=C(NCCCO)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000271053545 550335667 /nfs/dbraw/zinc/33/56/67/550335667.db2.gz RIPPMLUUNSOSIC-UHFFFAOYSA-N 1 2 361.269 2.410 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000271894293 550409406 /nfs/dbraw/zinc/40/94/06/550409406.db2.gz XTWDXKNLMVVJMW-ZBFHGGJFSA-N 1 2 363.410 2.327 20 10 FECDLO COc1cc(O)c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000271894293 550409408 /nfs/dbraw/zinc/40/94/08/550409408.db2.gz XTWDXKNLMVVJMW-ZBFHGGJFSA-N 1 2 363.410 2.327 20 10 FECDLO COc1ccc(N2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)cc1 ZINC000272146425 550425641 /nfs/dbraw/zinc/42/56/41/550425641.db2.gz AYTNMLQFRWAOFL-UHFFFAOYSA-N 1 2 363.421 2.238 20 10 FECDLO C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273397670 550496984 /nfs/dbraw/zinc/49/69/84/550496984.db2.gz MHQWQPPTWGUEEF-RDTXWAMCSA-N 1 2 371.437 2.370 20 10 FECDLO C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273397670 550496985 /nfs/dbraw/zinc/49/69/85/550496985.db2.gz MHQWQPPTWGUEEF-RDTXWAMCSA-N 1 2 371.437 2.370 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c1O ZINC000273562827 550503082 /nfs/dbraw/zinc/50/30/82/550503082.db2.gz CIXCZTYWOAPDOX-UHFFFAOYSA-N 1 2 364.808 2.500 20 10 FECDLO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000274730158 550550753 /nfs/dbraw/zinc/55/07/53/550550753.db2.gz BPQFOUBGLCIXQX-ZDUSSCGKSA-N 1 2 358.398 2.383 20 10 FECDLO COc1cc(C[NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)cc(OC)c1 ZINC000279092458 550853162 /nfs/dbraw/zinc/85/31/62/550853162.db2.gz GJDMWNZTWFIFMU-UHFFFAOYSA-N 1 2 372.421 2.073 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000280406462 550990254 /nfs/dbraw/zinc/99/02/54/550990254.db2.gz HOFMQLGSHPNTGP-LBPRGKRZSA-N 1 2 352.387 2.079 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000280406462 550990255 /nfs/dbraw/zinc/99/02/55/550990255.db2.gz HOFMQLGSHPNTGP-LBPRGKRZSA-N 1 2 352.387 2.079 20 10 FECDLO COc1ccc(N2CCN(C(=O)NCc3c[nH+]ccc3OC)CC2)cc1F ZINC000294355584 552899772 /nfs/dbraw/zinc/89/97/72/552899772.db2.gz UYEGDUIFBSHKRV-UHFFFAOYSA-N 1 2 374.416 2.270 20 10 FECDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294846554 552938374 /nfs/dbraw/zinc/93/83/74/552938374.db2.gz ZMROXBIMIBEDRW-NSHDSACASA-N 1 2 350.843 2.041 20 10 FECDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294846554 552938375 /nfs/dbraw/zinc/93/83/75/552938375.db2.gz ZMROXBIMIBEDRW-NSHDSACASA-N 1 2 350.843 2.041 20 10 FECDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1c(F)ccc(O)c1O ZINC000295864780 553069059 /nfs/dbraw/zinc/06/90/59/553069059.db2.gz OOVULPKVOSRMAN-UHFFFAOYSA-N 1 2 373.428 2.131 20 10 FECDLO O=C1COc2cc([N+](=O)[O-])c(N3CCCN(c4cccc[nH+]4)CC3)cc2N1 ZINC000302222272 553712083 /nfs/dbraw/zinc/71/20/83/553712083.db2.gz MUGABHAFSRYMSB-UHFFFAOYSA-N 1 2 369.381 2.037 20 10 FECDLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000364106466 555250842 /nfs/dbraw/zinc/25/08/42/555250842.db2.gz DFDJFRMOHJRFNN-GFCCVEGCSA-N 1 2 350.806 2.261 20 10 FECDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000364106466 555250844 /nfs/dbraw/zinc/25/08/44/555250844.db2.gz DFDJFRMOHJRFNN-GFCCVEGCSA-N 1 2 350.806 2.261 20 10 FECDLO CNc1ccc(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)cn1 ZINC000368508220 556330741 /nfs/dbraw/zinc/33/07/41/556330741.db2.gz PXOIKDOTPYSQHF-UHFFFAOYSA-N 1 2 354.454 2.873 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H](OC)c3cnn(C)c3)CC2)cc1 ZINC000373949797 557794156 /nfs/dbraw/zinc/79/41/56/557794156.db2.gz JYOUHCXTDKNJIM-LJQANCHMSA-N 1 2 372.469 2.244 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1O ZINC000375507581 558039832 /nfs/dbraw/zinc/03/98/32/558039832.db2.gz XHNAVEZUMWOFLL-VXGBXAGGSA-N 1 2 364.751 2.344 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1O ZINC000375507581 558039834 /nfs/dbraw/zinc/03/98/34/558039834.db2.gz XHNAVEZUMWOFLL-VXGBXAGGSA-N 1 2 364.751 2.344 20 10 FECDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000530103258 562398238 /nfs/dbraw/zinc/39/82/38/562398238.db2.gz RMPAXBWTCVUJKZ-QGZVFWFLSA-N 1 2 355.438 2.464 20 10 FECDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000530103258 562398239 /nfs/dbraw/zinc/39/82/39/562398239.db2.gz RMPAXBWTCVUJKZ-QGZVFWFLSA-N 1 2 355.438 2.464 20 10 FECDLO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)NC(=O)NC1=O ZINC000809705308 674506197 /nfs/dbraw/zinc/50/61/97/674506197.db2.gz QSSMKRRLOFOTBD-BZNIZROVSA-N 1 2 355.797 2.137 20 10 FECDLO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)NC(=O)NC1=O ZINC000809705308 674506199 /nfs/dbraw/zinc/50/61/99/674506199.db2.gz QSSMKRRLOFOTBD-BZNIZROVSA-N 1 2 355.797 2.137 20 10 FECDLO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCn2c[nH+]cc2C1 ZINC000812005421 674646569 /nfs/dbraw/zinc/64/65/69/674646569.db2.gz HESKSZKYYRMQKY-UHFFFAOYSA-N 1 2 357.483 2.162 20 10 FECDLO C[C@@H](NC(=O)NCCCSc1nccs1)[C@H](C)[NH+]1CCOCC1 ZINC000153305181 672196224 /nfs/dbraw/zinc/19/62/24/672196224.db2.gz PFHAEKMDKRZYPZ-OLZOCXBDSA-N 1 2 358.533 2.034 20 10 FECDLO O[C@H](CN1CCCc2cc(OC(F)(F)F)ccc21)C[NH+]1CCOCC1 ZINC000157584089 672260099 /nfs/dbraw/zinc/26/00/99/672260099.db2.gz XNVJHYXFTRCYOW-AWEZNQCLSA-N 1 2 360.376 2.031 20 10 FECDLO O[C@@H](CN1CCCc2cc(OC(F)(F)F)ccc21)C[NH+]1CCOCC1 ZINC000157583935 672260124 /nfs/dbraw/zinc/26/01/24/672260124.db2.gz XNVJHYXFTRCYOW-CQSZACIVSA-N 1 2 360.376 2.031 20 10 FECDLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C1=CC(=O)CS1 ZINC000731872096 673345940 /nfs/dbraw/zinc/34/59/40/673345940.db2.gz YJMWGETVRMSKFT-UHFFFAOYSA-N 1 2 362.451 2.095 20 10 FECDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824555019 675610042 /nfs/dbraw/zinc/61/00/42/675610042.db2.gz BDCLPALIVHTLKW-CQSZACIVSA-N 1 2 353.894 2.386 20 10 FECDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824914337 675628777 /nfs/dbraw/zinc/62/87/77/675628777.db2.gz PSIWMIWTXWWNEE-MRXNPFEDSA-N 1 2 370.490 2.061 20 10 FECDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824914337 675628778 /nfs/dbraw/zinc/62/87/78/675628778.db2.gz PSIWMIWTXWWNEE-MRXNPFEDSA-N 1 2 370.490 2.061 20 10 FECDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000825278764 675644708 /nfs/dbraw/zinc/64/47/08/675644708.db2.gz IFODVVFGQHOGHK-LBPRGKRZSA-N 1 2 356.264 2.390 20 10 FECDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000825278764 675644710 /nfs/dbraw/zinc/64/47/10/675644710.db2.gz IFODVVFGQHOGHK-LBPRGKRZSA-N 1 2 356.264 2.390 20 10 FECDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825623030 675661244 /nfs/dbraw/zinc/66/12/44/675661244.db2.gz ZHVUOXXLCLNJNM-HZPDHXFCSA-N 1 2 351.443 2.197 20 10 FECDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825623030 675661246 /nfs/dbraw/zinc/66/12/46/675661246.db2.gz ZHVUOXXLCLNJNM-HZPDHXFCSA-N 1 2 351.443 2.197 20 10 FECDLO CCn1nc(C)c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000839144200 680741453 /nfs/dbraw/zinc/74/14/53/680741453.db2.gz GSOGLEXUOVPCBW-UHFFFAOYSA-N 1 2 351.401 2.011 20 10 FECDLO Oc1c(Br)cccc1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000764934789 680824742 /nfs/dbraw/zinc/82/47/42/680824742.db2.gz LWPSERZBICFCGW-UHFFFAOYSA-N 1 2 365.231 2.393 20 10 FECDLO CC[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cccc(Cl)c1O ZINC000840895919 680850748 /nfs/dbraw/zinc/85/07/48/680850748.db2.gz AMWBPMMGYGJUHN-ZDUSSCGKSA-N 1 2 351.838 2.257 20 10 FECDLO CS(=O)(=O)CC1(C[NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000840974456 680858047 /nfs/dbraw/zinc/85/80/47/680858047.db2.gz BGAYYVJRLPNTEP-UHFFFAOYSA-N 1 2 362.289 2.459 20 10 FECDLO Cc1cc(Br)c(O)c(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c1 ZINC000874049689 685279802 /nfs/dbraw/zinc/27/98/02/685279802.db2.gz JNIXJYFCKKKTDO-UHFFFAOYSA-N 1 2 357.248 2.102 20 10 FECDLO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756482149 680481046 /nfs/dbraw/zinc/48/10/46/680481046.db2.gz GZVBXFYYBPHITP-LLVKDONJSA-N 1 2 356.394 2.300 20 10 FECDLO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000756536948 680483627 /nfs/dbraw/zinc/48/36/27/680483627.db2.gz XVNVRSMTGMOBKN-MRVPVSSYSA-N 1 2 354.241 2.379 20 10 FECDLO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Br)c(F)cc1O ZINC000756569541 680486536 /nfs/dbraw/zinc/48/65/36/680486536.db2.gz QJBWQWZJOONACI-WDEREUQCSA-N 1 2 360.271 2.190 20 10 FECDLO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(F)cc(F)c1O ZINC000756748331 680496242 /nfs/dbraw/zinc/49/62/42/680496242.db2.gz WSXXPNLGOHHYTL-SNVBAGLBSA-N 1 2 360.426 2.278 20 10 FECDLO C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)S(C)(=O)=O ZINC000756768157 680496834 /nfs/dbraw/zinc/49/68/34/680496834.db2.gz AMYBLQYAPZTNEL-SFYZADRCSA-N 1 2 354.241 2.378 20 10 FECDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000770690553 681023919 /nfs/dbraw/zinc/02/39/19/681023919.db2.gz YRRSUPYYRLADGP-QGZVFWFLSA-N 1 2 352.450 2.288 20 10 FECDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000770690553 681023920 /nfs/dbraw/zinc/02/39/20/681023920.db2.gz YRRSUPYYRLADGP-QGZVFWFLSA-N 1 2 352.450 2.288 20 10 FECDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000895250176 689684673 /nfs/dbraw/zinc/68/46/73/689684673.db2.gz DUAZXBIHLYUEHS-CMPLNLGQSA-N 1 2 364.623 2.228 20 10 FECDLO CC(C)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[NH+]1CCOCC1 ZINC000895577534 689739395 /nfs/dbraw/zinc/73/93/95/689739395.db2.gz MQJZELWDEYVYMV-ZDUSSCGKSA-N 1 2 364.467 2.399 20 10 FECDLO COc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(O)c1OC ZINC000895873391 689785859 /nfs/dbraw/zinc/78/58/59/689785859.db2.gz SMUKBAWEAPZCPP-OAHLLOKOSA-N 1 2 362.348 2.052 20 10 FECDLO COc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(O)c1OC ZINC000895873391 689785860 /nfs/dbraw/zinc/78/58/60/689785860.db2.gz SMUKBAWEAPZCPP-OAHLLOKOSA-N 1 2 362.348 2.052 20 10 FECDLO Cn1ncc(I)c1C[NH2+]Cc1c(O)cccc1F ZINC000896639413 689909612 /nfs/dbraw/zinc/90/96/12/689909612.db2.gz DSOFDVZURDTSNR-UHFFFAOYSA-N 1 2 361.158 2.159 20 10 FECDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000047028628 540285628 /nfs/dbraw/zinc/28/56/28/540285628.db2.gz QXJQLBICLHFSQO-RDJZCZTQSA-N 1 2 358.442 2.368 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H](C)c3nncn3C)CC2)cc1 ZINC000066149291 541284966 /nfs/dbraw/zinc/28/49/66/541284966.db2.gz ZCNSEEWCPZDBPJ-AWEZNQCLSA-N 1 2 372.473 2.195 20 10 FECDLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092071651 542843937 /nfs/dbraw/zinc/84/39/37/542843937.db2.gz MDOPKHDEZGVBKT-LBPRGKRZSA-N 1 2 365.282 2.355 20 10 FECDLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092071651 542843940 /nfs/dbraw/zinc/84/39/40/542843940.db2.gz MDOPKHDEZGVBKT-LBPRGKRZSA-N 1 2 365.282 2.355 20 10 FECDLO C[C@H](C(=O)NCc1ccc(O)c(O)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159139717 545924935 /nfs/dbraw/zinc/92/49/35/545924935.db2.gz ICYJDUGZWYPTQJ-CQSZACIVSA-N 1 2 373.428 2.064 20 10 FECDLO COc1ccc(O)c(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000162149788 546136072 /nfs/dbraw/zinc/13/60/72/546136072.db2.gz RPYLFIQDDUYFBA-OAHLLOKOSA-N 1 2 356.426 2.264 20 10 FECDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000175225332 546308056 /nfs/dbraw/zinc/30/80/56/546308056.db2.gz HSRBPCDRAUQOKZ-FQEVSTJZSA-N 1 2 370.497 2.069 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000180601970 547140534 /nfs/dbraw/zinc/14/05/34/547140534.db2.gz QREZDICAWFYLFL-SOFGYWHQSA-N 1 2 368.433 2.260 20 10 FECDLO CN1CC[NH+](Cc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)CC1 ZINC000180704582 547161761 /nfs/dbraw/zinc/16/17/61/547161761.db2.gz HHYCYRXYEJSWHD-SOFGYWHQSA-N 1 2 367.449 2.497 20 10 FECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)CC(F)(F)F ZINC000189664361 548307605 /nfs/dbraw/zinc/30/76/05/548307605.db2.gz MAPWICMAPDOXKF-LLVKDONJSA-N 1 2 355.740 2.334 20 10 FECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)CC(F)(F)F ZINC000189664361 548307611 /nfs/dbraw/zinc/30/76/11/548307611.db2.gz MAPWICMAPDOXKF-LLVKDONJSA-N 1 2 355.740 2.334 20 10 FECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)CC(F)(F)F ZINC000189664385 548307965 /nfs/dbraw/zinc/30/79/65/548307965.db2.gz MAPWICMAPDOXKF-NSHDSACASA-N 1 2 355.740 2.334 20 10 FECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)CC(F)(F)F ZINC000189664385 548307969 /nfs/dbraw/zinc/30/79/69/548307969.db2.gz MAPWICMAPDOXKF-NSHDSACASA-N 1 2 355.740 2.334 20 10 FECDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157717 548319462 /nfs/dbraw/zinc/31/94/62/548319462.db2.gz KDICTWLDCFKXPE-ZWKOTPCHSA-N 1 2 358.442 2.177 20 10 FECDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157717 548319464 /nfs/dbraw/zinc/31/94/64/548319464.db2.gz KDICTWLDCFKXPE-ZWKOTPCHSA-N 1 2 358.442 2.177 20 10 FECDLO O=C(C[N@H+]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1)N1CCCC1 ZINC000191221731 548341792 /nfs/dbraw/zinc/34/17/92/548341792.db2.gz DBIPIPSGERIZSR-UHFFFAOYSA-N 1 2 369.868 2.315 20 10 FECDLO O=C(C[N@@H+]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1)N1CCCC1 ZINC000191221731 548341804 /nfs/dbraw/zinc/34/18/04/548341804.db2.gz DBIPIPSGERIZSR-UHFFFAOYSA-N 1 2 369.868 2.315 20 10 FECDLO O=C(CN1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1)N1CCCC1 ZINC000191221731 548341808 /nfs/dbraw/zinc/34/18/08/548341808.db2.gz DBIPIPSGERIZSR-UHFFFAOYSA-N 1 2 369.868 2.315 20 10 FECDLO O=C(CN1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1)N1CCCC1 ZINC000191221731 548341815 /nfs/dbraw/zinc/34/18/15/548341815.db2.gz DBIPIPSGERIZSR-UHFFFAOYSA-N 1 2 369.868 2.315 20 10 FECDLO Cc1cc(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000236884451 548785348 /nfs/dbraw/zinc/78/53/48/548785348.db2.gz ZDGGJGRHENBDON-UHFFFAOYSA-N 1 2 353.470 2.382 20 10 FECDLO O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263723699 549926401 /nfs/dbraw/zinc/92/64/01/549926401.db2.gz BMTGWTJKIHFWQH-UHFFFAOYSA-N 1 2 369.469 2.336 20 10 FECDLO COc1ccc(/C=C2\SC(=S)N(CC[NH+]3CCOCC3)C2=O)s1 ZINC000268612284 550094035 /nfs/dbraw/zinc/09/40/35/550094035.db2.gz RVRIQMNTJYTQPR-BENRWUELSA-N 1 2 370.521 2.290 20 10 FECDLO COc1c(O)c(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209962 550761207 /nfs/dbraw/zinc/76/12/07/550761207.db2.gz KEGLRJPNAXPUFA-JSGCOSHPSA-N 1 2 372.443 2.097 20 10 FECDLO COc1c(O)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209962 550761208 /nfs/dbraw/zinc/76/12/08/550761208.db2.gz KEGLRJPNAXPUFA-JSGCOSHPSA-N 1 2 372.443 2.097 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280272215 550975831 /nfs/dbraw/zinc/97/58/31/550975831.db2.gz MPTCYIGLDHXOSO-KRWDZBQOSA-N 1 2 352.387 2.079 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280272215 550975832 /nfs/dbraw/zinc/97/58/32/550975832.db2.gz MPTCYIGLDHXOSO-KRWDZBQOSA-N 1 2 352.387 2.079 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cn(C(C)C)cn3)CC2)cc1 ZINC000281812039 551144948 /nfs/dbraw/zinc/14/49/48/551144948.db2.gz ZBXLXOJLYVAVKW-UHFFFAOYSA-N 1 2 371.485 2.025 20 10 FECDLO Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000287631481 552027936 /nfs/dbraw/zinc/02/79/36/552027936.db2.gz ZPXNTWIXISNDNQ-MAUKXSAKSA-N 1 2 368.481 2.424 20 10 FECDLO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](F)C(F)(F)F)cc2F)CC1 ZINC000290166559 552437356 /nfs/dbraw/zinc/43/73/56/552437356.db2.gz DRNKNWJVVWZSDO-AWEZNQCLSA-N 1 2 365.346 2.484 20 10 FECDLO CC[NH+]1CCN(c2ccc(CNC(=O)C(F)C(F)(F)F)cc2F)CC1 ZINC000290166559 552437358 /nfs/dbraw/zinc/43/73/58/552437358.db2.gz DRNKNWJVVWZSDO-AWEZNQCLSA-N 1 2 365.346 2.484 20 10 FECDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294933952 552945237 /nfs/dbraw/zinc/94/52/37/552945237.db2.gz KLQNROHAKMOKDG-UHFFFAOYSA-N 1 2 354.516 2.168 20 10 FECDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294933952 552945238 /nfs/dbraw/zinc/94/52/38/552945238.db2.gz KLQNROHAKMOKDG-UHFFFAOYSA-N 1 2 354.516 2.168 20 10 FECDLO COCCOCCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000363631567 555150842 /nfs/dbraw/zinc/15/08/42/555150842.db2.gz OOTLIKMEGDKELB-UHFFFAOYSA-N 1 2 350.459 2.176 20 10 FECDLO O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000365716077 555648906 /nfs/dbraw/zinc/64/89/06/555648906.db2.gz CUAMOBWSWKWICT-CYBMUJFWSA-N 1 2 371.396 2.403 20 10 FECDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000374259123 557853116 /nfs/dbraw/zinc/85/31/16/557853116.db2.gz NPBLIQFCOJCRRI-LJQANCHMSA-N 1 2 356.470 2.437 20 10 FECDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000374259123 557853118 /nfs/dbraw/zinc/85/31/18/557853118.db2.gz NPBLIQFCOJCRRI-LJQANCHMSA-N 1 2 356.470 2.437 20 10 FECDLO COc1ccc(O)c(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000375008598 557963442 /nfs/dbraw/zinc/96/34/42/557963442.db2.gz PGMDYBJTLCOSRI-WBVHZDCISA-N 1 2 364.442 2.221 20 10 FECDLO COc1ccc(O)c(C[N@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000375008598 557963444 /nfs/dbraw/zinc/96/34/44/557963444.db2.gz PGMDYBJTLCOSRI-WBVHZDCISA-N 1 2 364.442 2.221 20 10 FECDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000375265132 558001344 /nfs/dbraw/zinc/00/13/44/558001344.db2.gz FNPMPHJGWREGRD-HXUWFJFHSA-N 1 2 370.497 2.447 20 10 FECDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000375265132 558001345 /nfs/dbraw/zinc/00/13/45/558001345.db2.gz FNPMPHJGWREGRD-HXUWFJFHSA-N 1 2 370.497 2.447 20 10 FECDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCOC2)O1 ZINC000376020567 558114817 /nfs/dbraw/zinc/11/48/17/558114817.db2.gz GREXCEVUSODMMG-DYVFJYSZSA-N 1 2 352.387 2.079 20 10 FECDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@]2(CCOC2)O1 ZINC000376020567 558114818 /nfs/dbraw/zinc/11/48/18/558114818.db2.gz GREXCEVUSODMMG-DYVFJYSZSA-N 1 2 352.387 2.079 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)C[C@H]3CCCO3)CC2)cc1 ZINC000377520787 558356716 /nfs/dbraw/zinc/35/67/16/558356716.db2.gz WNBXRIGLDMOKPC-GOSISDBHSA-N 1 2 368.499 2.105 20 10 FECDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000530103257 562398358 /nfs/dbraw/zinc/39/83/58/562398358.db2.gz RMPAXBWTCVUJKZ-KRWDZBQOSA-N 1 2 355.438 2.464 20 10 FECDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000530103257 562398359 /nfs/dbraw/zinc/39/83/59/562398359.db2.gz RMPAXBWTCVUJKZ-KRWDZBQOSA-N 1 2 355.438 2.464 20 10 FECDLO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Br)c(F)cc1O ZINC000810243507 674537800 /nfs/dbraw/zinc/53/78/00/674537800.db2.gz HIHBZAWDBYPHRP-SECBINFHSA-N 1 2 373.226 2.119 20 10 FECDLO Cc1nc(CN2CC[NH+](Cc3cc(Br)ccc3O)CC2)no1 ZINC000093273893 670751009 /nfs/dbraw/zinc/75/10/09/670751009.db2.gz HKKHSJQCQYLIFY-UHFFFAOYSA-N 1 2 367.247 2.164 20 10 FECDLO O=S1(=O)CC[C@@H]([N@H+](Cc2cccc(Br)c2O)C2CC2)C1 ZINC000157053836 672254238 /nfs/dbraw/zinc/25/42/38/672254238.db2.gz SBNDGLBBQFSVBP-GFCCVEGCSA-N 1 2 360.273 2.306 20 10 FECDLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cccc(Br)c2O)C2CC2)C1 ZINC000157053836 672254239 /nfs/dbraw/zinc/25/42/39/672254239.db2.gz SBNDGLBBQFSVBP-GFCCVEGCSA-N 1 2 360.273 2.306 20 10 FECDLO CC1(C)C[N@H+](CCNC(=O)NCCCSc2nccs2)CCO1 ZINC000177810929 672386617 /nfs/dbraw/zinc/38/66/17/672386617.db2.gz IEVNEXSZDGPGDR-UHFFFAOYSA-N 1 2 358.533 2.035 20 10 FECDLO CC1(C)C[N@@H+](CCNC(=O)NCCCSc2nccs2)CCO1 ZINC000177810929 672386618 /nfs/dbraw/zinc/38/66/18/672386618.db2.gz IEVNEXSZDGPGDR-UHFFFAOYSA-N 1 2 358.533 2.035 20 10 FECDLO CS(=O)(=O)CC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000707153075 673063329 /nfs/dbraw/zinc/06/33/29/673063329.db2.gz VCYAQLXZVJJVGU-UHFFFAOYSA-N 1 2 362.289 2.411 20 10 FECDLO O=C(C1=CC(=O)CS1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000732277364 673361165 /nfs/dbraw/zinc/36/11/65/673361165.db2.gz HSKZLEGNJNYBBX-UHFFFAOYSA-N 1 2 352.378 2.181 20 10 FECDLO Cc1cc(C[NH+]2CCN(S(C)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000827282466 675745313 /nfs/dbraw/zinc/74/53/13/675745313.db2.gz RAKCIVARAABCNZ-UHFFFAOYSA-N 1 2 351.516 2.063 20 10 FECDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cc(Br)c(F)cc1O ZINC000756730820 680495204 /nfs/dbraw/zinc/49/52/04/680495204.db2.gz BVDKWLDVPZNURY-ZETCQYMHSA-N 1 2 356.199 2.466 20 10 FECDLO Cn1cc(CN2CC[NH+](Cc3cc(Br)ccc3O)CC2)cn1 ZINC000769311226 680977436 /nfs/dbraw/zinc/97/74/36/680977436.db2.gz ZYGQVKVRNUDGHD-UHFFFAOYSA-N 1 2 365.275 2.206 20 10 FECDLO CCN(C)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000773803765 681155983 /nfs/dbraw/zinc/15/59/83/681155983.db2.gz BUMCNKBMXKOFNL-RTBURBONSA-N 1 2 366.527 2.311 20 10 FECDLO CCN(C)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000773803765 681155984 /nfs/dbraw/zinc/15/59/84/681155984.db2.gz BUMCNKBMXKOFNL-RTBURBONSA-N 1 2 366.527 2.311 20 10 FECDLO CN(C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)S(C)(=O)=O ZINC000775663780 681322630 /nfs/dbraw/zinc/32/26/30/681322630.db2.gz OWKFKRKGHHLNCJ-UHFFFAOYSA-N 1 2 350.843 2.041 20 10 FECDLO O=S(=O)(NCC[NH2+]Cc1cc(Cl)cc(F)c1O)c1cccs1 ZINC000776251810 681376802 /nfs/dbraw/zinc/37/68/02/681376802.db2.gz BMYDGNPJNDOPMU-UHFFFAOYSA-N 1 2 364.851 2.314 20 10 FECDLO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)CC2 ZINC000922992161 683815618 /nfs/dbraw/zinc/81/56/18/683815618.db2.gz PLHLWUPQHHCXTO-JTQLQIEISA-N 1 2 355.211 2.069 20 10 FECDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891626343 689085275 /nfs/dbraw/zinc/08/52/75/689085275.db2.gz KFOGABZQROAEGH-UHFFFAOYSA-N 1 2 350.459 2.490 20 10 FECDLO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cccc(Br)c2O)C1(F)F ZINC000894571210 689557402 /nfs/dbraw/zinc/55/74/02/689557402.db2.gz NUABEJRIRMHDFX-WPRPVWTQSA-N 1 2 350.159 2.299 20 10 FECDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)CC[C@@H]2N1 ZINC000895258307 689685938 /nfs/dbraw/zinc/68/59/38/689685938.db2.gz CFSDQMWBQIIXJE-RNCFNFMXSA-N 1 2 357.223 2.394 20 10 FECDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)CC[C@@H]2N1 ZINC000895258307 689685942 /nfs/dbraw/zinc/68/59/42/689685942.db2.gz CFSDQMWBQIIXJE-RNCFNFMXSA-N 1 2 357.223 2.394 20 10 FECDLO CCOc1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)nn1 ZINC000895353080 689700612 /nfs/dbraw/zinc/70/06/12/689700612.db2.gz QALZIJWTWDMWDP-UHFFFAOYSA-N 1 2 350.369 2.181 20 10 FECDLO COC(=O)c1cc(C2C[NH+](Cc3cccc(Br)c3O)C2)[nH]n1 ZINC000898005135 690114409 /nfs/dbraw/zinc/11/44/09/690114409.db2.gz UPLCIMDUNMCGFC-UHFFFAOYSA-N 1 2 366.215 2.264 20 10 FECDLO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3O)C2)c1Cl ZINC000898370706 690169322 /nfs/dbraw/zinc/16/93/22/690169322.db2.gz BNNBYGBKKHJGKC-SNVBAGLBSA-N 1 2 356.760 2.188 20 10 FECDLO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000899970542 690454688 /nfs/dbraw/zinc/45/46/88/690454688.db2.gz VWRCYLGTFJZPIE-ZDUSSCGKSA-N 1 2 362.451 2.249 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[NH2+]C(C)(C)c3nccs3)CC2)cc1 ZINC000172352914 546248493 /nfs/dbraw/zinc/24/84/93/546248493.db2.gz KHCDFKXCCCFLTF-UHFFFAOYSA-N 1 2 374.510 2.325 20 10 FECDLO CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)ccc21 ZINC000174446698 546296625 /nfs/dbraw/zinc/29/66/25/546296625.db2.gz FDCIJXVBQRPIKR-LJQANCHMSA-N 1 2 372.513 2.075 20 10 FECDLO CC(=O)c1cc(F)cc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1O ZINC000177280082 546586561 /nfs/dbraw/zinc/58/65/61/546586561.db2.gz UFXSZJNQHYQUBB-CYBMUJFWSA-N 1 2 350.434 2.419 20 10 FECDLO CC(=O)c1cc(F)cc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1O ZINC000177280082 546586565 /nfs/dbraw/zinc/58/65/65/546586565.db2.gz UFXSZJNQHYQUBB-CYBMUJFWSA-N 1 2 350.434 2.419 20 10 FECDLO COc1ccc(N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cc1F ZINC000177284078 546587267 /nfs/dbraw/zinc/58/72/67/546587267.db2.gz PCTZNRGMTLEWQO-UHFFFAOYSA-N 1 2 354.385 2.444 20 10 FECDLO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(F)c(F)c3O)C2=O)n(C)n1 ZINC000187791127 548264426 /nfs/dbraw/zinc/26/44/26/548264426.db2.gz HLRFPVRHKSOOLD-MFKMUULPSA-N 1 2 350.369 2.168 20 10 FECDLO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000191195528 548341289 /nfs/dbraw/zinc/34/12/89/548341289.db2.gz HMHDGFJEZPDRKV-SNVBAGLBSA-N 1 2 356.394 2.211 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000274105371 550523159 /nfs/dbraw/zinc/52/31/59/550523159.db2.gz KQZWNSYUFUHHJI-CYBMUJFWSA-N 1 2 362.289 2.472 20 10 FECDLO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274938691 550566089 /nfs/dbraw/zinc/56/60/89/550566089.db2.gz QCFDNIXMXZEFHL-HNNXBMFYSA-N 1 2 352.431 2.126 20 10 FECDLO COc1ccc(O)c(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274938691 550566091 /nfs/dbraw/zinc/56/60/91/550566091.db2.gz QCFDNIXMXZEFHL-HNNXBMFYSA-N 1 2 352.431 2.126 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C4CC4)no3)CC2)cc1 ZINC000281786773 551143266 /nfs/dbraw/zinc/14/32/66/551143266.db2.gz KWWCLEUBLQCSTE-UHFFFAOYSA-N 1 2 370.453 2.113 20 10 FECDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)O1 ZINC000282484934 551236043 /nfs/dbraw/zinc/23/60/43/551236043.db2.gz PEIBIKSWUUJZQN-ZMPFYLFPSA-N 1 2 365.401 2.417 20 10 FECDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)O1 ZINC000282484934 551236044 /nfs/dbraw/zinc/23/60/44/551236044.db2.gz PEIBIKSWUUJZQN-ZMPFYLFPSA-N 1 2 365.401 2.417 20 10 FECDLO COc1c(O)c(C[NH2+][C@H](C)c2noc(COC(C)C)n2)ccc1[N+](=O)[O-] ZINC000290986769 552572837 /nfs/dbraw/zinc/57/28/37/552572837.db2.gz UPZIFBQHPDXIQR-SNVBAGLBSA-N 1 2 366.374 2.468 20 10 FECDLO COc1cc[nH+]cc1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000293005000 552779485 /nfs/dbraw/zinc/77/94/85/552779485.db2.gz ODBRTJRLWYYCSO-UHFFFAOYSA-N 1 2 374.416 2.065 20 10 FECDLO CC[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000296371814 553149259 /nfs/dbraw/zinc/14/92/59/553149259.db2.gz JFVFSOIYJZZANB-OCCSQVGLSA-N 1 2 368.282 2.289 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C4CC4)on3)CC2)cc1 ZINC000299502021 553572536 /nfs/dbraw/zinc/57/25/36/553572536.db2.gz NGHZHRXCNKREJB-UHFFFAOYSA-N 1 2 370.453 2.113 20 10 FECDLO Cn1ccc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3O)C2=O)n1 ZINC000360091333 554862339 /nfs/dbraw/zinc/86/23/39/554862339.db2.gz BTCMKYRJQGLZTQ-LBPRGKRZSA-N 1 2 355.225 2.328 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000365683306 555639647 /nfs/dbraw/zinc/63/96/47/555639647.db2.gz YCUVOBYVDWSFQL-XWCIJXRUSA-N 1 2 352.387 2.077 20 10 FECDLO CN1CCc2cc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)ccc21 ZINC000372269054 557426031 /nfs/dbraw/zinc/42/60/31/557426031.db2.gz WHUHNKMHWSOMBW-INIZCTEOSA-N 1 2 353.470 2.290 20 10 FECDLO CN1CCc2cc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)ccc21 ZINC000372269054 557426034 /nfs/dbraw/zinc/42/60/34/557426034.db2.gz WHUHNKMHWSOMBW-INIZCTEOSA-N 1 2 353.470 2.290 20 10 FECDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377661424 558389631 /nfs/dbraw/zinc/38/96/31/558389631.db2.gz GAFNVARZDQTMQL-OAHLLOKOSA-N 1 2 372.444 2.246 20 10 FECDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000377661424 558389634 /nfs/dbraw/zinc/38/96/34/558389634.db2.gz GAFNVARZDQTMQL-OAHLLOKOSA-N 1 2 372.444 2.246 20 10 FECDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000378314626 558527324 /nfs/dbraw/zinc/52/73/24/558527324.db2.gz OJCBRGCZEIESCH-LBPRGKRZSA-N 1 2 371.396 2.472 20 10 FECDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000378314626 558527325 /nfs/dbraw/zinc/52/73/25/558527325.db2.gz OJCBRGCZEIESCH-LBPRGKRZSA-N 1 2 371.396 2.472 20 10 FECDLO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000156163635 672242834 /nfs/dbraw/zinc/24/28/34/672242834.db2.gz OOVOKFCZLYIJPU-INIZCTEOSA-N 1 2 356.495 2.315 20 10 FECDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)CS(C)(=O)=O ZINC000723848340 673086628 /nfs/dbraw/zinc/08/66/28/673086628.db2.gz BSONDIWXORFCDF-UHFFFAOYSA-N 1 2 350.278 2.315 20 10 FECDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821719656 675446959 /nfs/dbraw/zinc/44/69/59/675446959.db2.gz DPBIGWIJDLSKKM-CHWSQXEVSA-N 1 2 363.801 2.074 20 10 FECDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821719656 675446961 /nfs/dbraw/zinc/44/69/61/675446961.db2.gz DPBIGWIJDLSKKM-CHWSQXEVSA-N 1 2 363.801 2.074 20 10 FECDLO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ncc(Cl)s3)cc2)CC1 ZINC000769915114 681000523 /nfs/dbraw/zinc/00/05/23/681000523.db2.gz XYJDDRRXEURWDT-UHFFFAOYSA-N 1 2 371.915 2.321 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)c1O ZINC000934263224 681537981 /nfs/dbraw/zinc/53/79/81/681537981.db2.gz NLPNIFNBJPDYFA-IRXDYDNUSA-N 1 2 352.862 2.279 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3CCO)c1O ZINC000934263224 681537982 /nfs/dbraw/zinc/53/79/82/681537982.db2.gz NLPNIFNBJPDYFA-IRXDYDNUSA-N 1 2 352.862 2.279 20 10 FECDLO Cc1ccc(O)c(C[NH+]2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 ZINC000779623318 681731767 /nfs/dbraw/zinc/73/17/67/681731767.db2.gz AGYHBIWRMFAHLD-UHFFFAOYSA-N 1 2 358.463 2.277 20 10 FECDLO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000786951659 682423927 /nfs/dbraw/zinc/42/39/27/682423927.db2.gz UBDMHVFUIUZLIA-MRVPVSSYSA-N 1 2 366.252 2.379 20 10 FECDLO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)C2=CC(=O)CS2)CC1 ZINC000927842124 683321677 /nfs/dbraw/zinc/32/16/77/683321677.db2.gz JUQQVDOHSOXJHR-UHFFFAOYSA-N 1 2 369.487 2.173 20 10 FECDLO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883120189 687570911 /nfs/dbraw/zinc/57/09/11/687570911.db2.gz VWELUHUCDXGECR-SECBINFHSA-N 1 2 366.252 2.208 20 10 FECDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893967555 689439510 /nfs/dbraw/zinc/43/95/10/689439510.db2.gz OAUNYYWMEWZTRA-GFCCVEGCSA-N 1 2 372.238 2.283 20 10 FECDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893967555 689439512 /nfs/dbraw/zinc/43/95/12/689439512.db2.gz OAUNYYWMEWZTRA-GFCCVEGCSA-N 1 2 372.238 2.283 20 10 FECDLO Cn1nccc1[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000897559417 690039048 /nfs/dbraw/zinc/03/90/48/690039048.db2.gz VYLOOLQNSOSTHZ-HNNXBMFYSA-N 1 2 352.232 2.462 20 10 FECDLO Cn1nccc1[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000897559417 690039054 /nfs/dbraw/zinc/03/90/54/690039054.db2.gz VYLOOLQNSOSTHZ-HNNXBMFYSA-N 1 2 352.232 2.462 20 10 FECDLO NOCCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000904457137 691029290 /nfs/dbraw/zinc/02/92/90/691029290.db2.gz PAJYIGLUSAIZSE-UHFFFAOYSA-N 1 2 354.042 2.287 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)c3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 ZINC000076269699 542253017 /nfs/dbraw/zinc/25/30/17/542253017.db2.gz HWBADYYUALBRPL-UHFFFAOYSA-N 1 2 358.402 2.081 20 10 FECDLO CCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000801584201 674138216 /nfs/dbraw/zinc/13/82/16/674138216.db2.gz DAYGUPVJZWTBGI-CQSZACIVSA-N 1 2 352.818 2.218 20 10 FECDLO CCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000801584201 674138219 /nfs/dbraw/zinc/13/82/19/674138219.db2.gz DAYGUPVJZWTBGI-CQSZACIVSA-N 1 2 352.818 2.218 20 10 FECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3nc(C)ns3)CC2)c1O ZINC000079470821 542520533 /nfs/dbraw/zinc/52/05/33/542520533.db2.gz IACGNCKEQRZBKZ-UHFFFAOYSA-N 1 2 350.419 2.216 20 10 FECDLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092071652 542844170 /nfs/dbraw/zinc/84/41/70/542844170.db2.gz MDOPKHDEZGVBKT-GFCCVEGCSA-N 1 2 365.282 2.355 20 10 FECDLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092071652 542844173 /nfs/dbraw/zinc/84/41/73/542844173.db2.gz MDOPKHDEZGVBKT-GFCCVEGCSA-N 1 2 365.282 2.355 20 10 FECDLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(C)n1-c1ccccn1 ZINC000127599073 544003356 /nfs/dbraw/zinc/00/33/56/544003356.db2.gz QXKFKVTWBVPLQZ-QGZVFWFLSA-N 1 2 354.454 2.082 20 10 FECDLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(C)n1-c1ccccn1 ZINC000127599073 544003358 /nfs/dbraw/zinc/00/33/58/544003358.db2.gz QXKFKVTWBVPLQZ-QGZVFWFLSA-N 1 2 354.454 2.082 20 10 FECDLO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCN1CC(F)F ZINC000153407194 544772298 /nfs/dbraw/zinc/77/22/98/544772298.db2.gz RPDYUMSPTOHNDH-INIZCTEOSA-N 1 2 368.472 2.030 20 10 FECDLO CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCN1CC(F)F ZINC000153407194 544772300 /nfs/dbraw/zinc/77/23/00/544772300.db2.gz RPDYUMSPTOHNDH-INIZCTEOSA-N 1 2 368.472 2.030 20 10 FECDLO COc1cccc(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1O ZINC000164541456 546151250 /nfs/dbraw/zinc/15/12/50/546151250.db2.gz SBSLTOBIIIXVKH-HNNXBMFYSA-N 1 2 356.426 2.264 20 10 FECDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000180422324 547106003 /nfs/dbraw/zinc/10/60/03/547106003.db2.gz HMVFJEWUJBNJPK-UHFFFAOYSA-N 1 2 350.278 2.330 20 10 FECDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000180422324 547106007 /nfs/dbraw/zinc/10/60/07/547106007.db2.gz HMVFJEWUJBNJPK-UHFFFAOYSA-N 1 2 350.278 2.330 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000180846313 547193098 /nfs/dbraw/zinc/19/30/98/547193098.db2.gz ITFKVELBDSSTHU-FNORWQNLSA-N 1 2 354.406 2.161 20 10 FECDLO CC[N@H+](CC(N)=O)Cc1cc(Br)cc(Br)c1O ZINC000188068429 548270403 /nfs/dbraw/zinc/27/04/03/548270403.db2.gz NPFFKDHCVYGYJU-UHFFFAOYSA-N 1 2 366.053 2.224 20 10 FECDLO CC[N@@H+](CC(N)=O)Cc1cc(Br)cc(Br)c1O ZINC000188068429 548270405 /nfs/dbraw/zinc/27/04/05/548270405.db2.gz NPFFKDHCVYGYJU-UHFFFAOYSA-N 1 2 366.053 2.224 20 10 FECDLO CC(=O)NCC[N@H+](Cc1cccc(C)c1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272870362 550474631 /nfs/dbraw/zinc/47/46/31/550474631.db2.gz LWWGAMTZOWKOHT-CQSZACIVSA-N 1 2 350.459 2.369 20 10 FECDLO CC(=O)NCC[N@@H+](Cc1cccc(C)c1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272870362 550474633 /nfs/dbraw/zinc/47/46/33/550474633.db2.gz LWWGAMTZOWKOHT-CQSZACIVSA-N 1 2 350.459 2.369 20 10 FECDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000276489528 550578834 /nfs/dbraw/zinc/57/88/34/550578834.db2.gz GHKRIRRAMIVIIL-UHFFFAOYSA-N 1 2 360.385 2.074 20 10 FECDLO C[C@H]1CN(c2ccc(CNC(=O)C=Cc3c[nH]c[nH+]3)cc2F)C[C@H](C)O1 ZINC000276602657 550579457 /nfs/dbraw/zinc/57/94/57/550579457.db2.gz OOJQBOVTOMKENZ-HHAVJRIZSA-N 1 2 358.417 2.492 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)CCc3c[nH+]cn3C)cc2F)C[C@@H](C)O1 ZINC000276659700 550582581 /nfs/dbraw/zinc/58/25/81/550582581.db2.gz XYDNKMZAZBAPTC-HUUCEWRRSA-N 1 2 374.460 2.422 20 10 FECDLO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922680 550611315 /nfs/dbraw/zinc/61/13/15/550611315.db2.gz MTXFZTXEUCHGJY-SWLSCSKDSA-N 1 2 355.429 2.264 20 10 FECDLO C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922680 550611317 /nfs/dbraw/zinc/61/13/17/550611317.db2.gz MTXFZTXEUCHGJY-SWLSCSKDSA-N 1 2 355.429 2.264 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccoc3Cl)CC2)cc1 ZINC000277538813 550682031 /nfs/dbraw/zinc/68/20/31/550682031.db2.gz WOCBDJJDBAGLRO-UHFFFAOYSA-N 1 2 363.845 2.494 20 10 FECDLO Cn1cc[nH+]c1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000286554582 551899515 /nfs/dbraw/zinc/89/95/15/551899515.db2.gz DTTYODHPTAUEBX-UHFFFAOYSA-N 1 2 370.453 2.103 20 10 FECDLO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c(C)n1-c1ccccn1 ZINC000290749571 552531001 /nfs/dbraw/zinc/53/10/01/552531001.db2.gz AHZKMHPPRUIOLM-IEBWSBKVSA-N 1 2 368.481 2.424 20 10 FECDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1O ZINC000294225491 552889624 /nfs/dbraw/zinc/88/96/24/552889624.db2.gz YZXGEGHYOSBPRE-UHFFFAOYSA-N 1 2 371.393 2.267 20 10 FECDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)no1 ZINC000363028474 555013462 /nfs/dbraw/zinc/01/34/62/555013462.db2.gz RSYNQWPNBLIXHE-KRWDZBQOSA-N 1 2 371.485 2.282 20 10 FECDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)no1 ZINC000363028474 555013463 /nfs/dbraw/zinc/01/34/63/555013463.db2.gz RSYNQWPNBLIXHE-KRWDZBQOSA-N 1 2 371.485 2.282 20 10 FECDLO CN(C)c1ccc(CNC(=O)C2(N3CC[NH+](C)CC3)CCCC2)cc1F ZINC000363298658 555073616 /nfs/dbraw/zinc/07/36/16/555073616.db2.gz IKHIQFDJFXHXKG-UHFFFAOYSA-N 1 2 362.493 2.068 20 10 FECDLO COc1c(O)c(C[NH2+][C@H](C)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000365796308 555669325 /nfs/dbraw/zinc/66/93/25/555669325.db2.gz PDJIOAMNXBFALB-LLVKDONJSA-N 1 2 361.402 2.478 20 10 FECDLO CCOC(=O)[C@@H](CCOC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000366956813 555981739 /nfs/dbraw/zinc/98/17/39/555981739.db2.gz WSPFZDQTOXBXEW-GOSISDBHSA-N 1 2 350.459 2.222 20 10 FECDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000368827914 556424331 /nfs/dbraw/zinc/42/43/31/556424331.db2.gz BOOWMJKKXPAFFW-UHFFFAOYSA-N 1 2 374.510 2.050 20 10 FECDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000368827914 556424333 /nfs/dbraw/zinc/42/43/33/556424333.db2.gz BOOWMJKKXPAFFW-UHFFFAOYSA-N 1 2 374.510 2.050 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)c1O ZINC000376055997 558120591 /nfs/dbraw/zinc/12/05/91/558120591.db2.gz UFZJXZUNGOECPT-ZDUSSCGKSA-N 1 2 354.248 2.015 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)c1O ZINC000376055997 558120593 /nfs/dbraw/zinc/12/05/93/558120593.db2.gz UFZJXZUNGOECPT-ZDUSSCGKSA-N 1 2 354.248 2.015 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1nc(C)cs1)cc2=O ZINC000184151385 672491074 /nfs/dbraw/zinc/49/10/74/672491074.db2.gz IJLHMNQOCYZZNM-SNVBAGLBSA-N 1 2 361.427 2.227 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC)c1nccs1)cc2=O ZINC000185048231 672517247 /nfs/dbraw/zinc/51/72/47/672517247.db2.gz WYUAZGWPTSWJLR-GFCCVEGCSA-N 1 2 361.427 2.309 20 10 FECDLO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C1=O ZINC000708056838 673064103 /nfs/dbraw/zinc/06/41/03/673064103.db2.gz QKQDAUQGRIWMQA-SNVBAGLBSA-N 1 2 361.623 2.045 20 10 FECDLO COc1c(O)c(C[NH2+]Cc2nn(C)cc2Br)ccc1[N+](=O)[O-] ZINC000824783036 675621909 /nfs/dbraw/zinc/62/19/09/675621909.db2.gz BYWJVGWKSWEDHR-UHFFFAOYSA-N 1 2 371.191 2.095 20 10 FECDLO COc1c(O)c(C[NH2+][C@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000827715946 675774521 /nfs/dbraw/zinc/77/45/21/675774521.db2.gz RIBMFDLFBNRMBL-CYBMUJFWSA-N 1 2 354.309 2.410 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O ZINC000852652631 682313696 /nfs/dbraw/zinc/31/36/96/682313696.db2.gz AEDQTJATDPAZMZ-CQSZACIVSA-N 1 2 353.850 2.436 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O ZINC000852652631 682313702 /nfs/dbraw/zinc/31/37/02/682313702.db2.gz AEDQTJATDPAZMZ-CQSZACIVSA-N 1 2 353.850 2.436 20 10 FECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000793074422 682862018 /nfs/dbraw/zinc/86/20/18/682862018.db2.gz HDQDZJGYYGJXBV-CYBMUJFWSA-N 1 2 365.421 2.024 20 10 FECDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000793074422 682862020 /nfs/dbraw/zinc/86/20/20/682862020.db2.gz HDQDZJGYYGJXBV-CYBMUJFWSA-N 1 2 365.421 2.024 20 10 FECDLO Oc1cccc(Br)c1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000865686630 684014443 /nfs/dbraw/zinc/01/44/43/684014443.db2.gz PUSHRRIRLLQEGB-UHFFFAOYSA-N 1 2 367.247 2.457 20 10 FECDLO Oc1c(Br)cccc1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000865686690 684014623 /nfs/dbraw/zinc/01/46/23/684014623.db2.gz GOTXBWVKVQODLR-UHFFFAOYSA-N 1 2 367.247 2.457 20 10 FECDLO O=S1(=O)C[C@H]2C[N@H+](Cc3c(O)cccc3Br)CC[C@@H]2C1 ZINC000877788718 686459996 /nfs/dbraw/zinc/45/99/96/686459996.db2.gz GIUPUWOOXXMSIH-GHMZBOCLSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@@H]2C1 ZINC000877788718 686459999 /nfs/dbraw/zinc/45/99/99/686459999.db2.gz GIUPUWOOXXMSIH-GHMZBOCLSA-N 1 2 360.273 2.021 20 10 FECDLO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883044560 687552008 /nfs/dbraw/zinc/55/20/08/687552008.db2.gz WOMFEGVHGVCESG-LLVKDONJSA-N 1 2 360.227 2.187 20 10 FECDLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883192447 687584814 /nfs/dbraw/zinc/58/48/14/687584814.db2.gz ZOUWZNREYBLREN-SSDOTTSWSA-N 1 2 351.628 2.306 20 10 FECDLO CC[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cccc(Cl)c1O ZINC000886698878 688292826 /nfs/dbraw/zinc/29/28/26/688292826.db2.gz OSLOXKIBSLOWTF-ZDUSSCGKSA-N 1 2 361.833 2.070 20 10 FECDLO CC(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1O)N1CC[NH+](C)CC1 ZINC000891755161 689102264 /nfs/dbraw/zinc/10/22/64/689102264.db2.gz UWGPJBKCMVBZGI-MRXNPFEDSA-N 1 2 368.909 2.117 20 10 FECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000047028629 540285436 /nfs/dbraw/zinc/28/54/36/540285436.db2.gz QXJQLBICLHFSQO-WBVHZDCISA-N 1 2 358.442 2.368 20 10 FECDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000073851258 542006891 /nfs/dbraw/zinc/00/68/91/542006891.db2.gz ABHLEYQAJIVOMR-SFHVURJKSA-N 1 2 366.421 2.331 20 10 FECDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000073851258 542006896 /nfs/dbraw/zinc/00/68/96/542006896.db2.gz ABHLEYQAJIVOMR-SFHVURJKSA-N 1 2 366.421 2.331 20 10 FECDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171102029 546191075 /nfs/dbraw/zinc/19/10/75/546191075.db2.gz HIPREEGMBJWWMS-UHFFFAOYSA-N 1 2 360.502 2.197 20 10 FECDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171102029 546191078 /nfs/dbraw/zinc/19/10/78/546191078.db2.gz HIPREEGMBJWWMS-UHFFFAOYSA-N 1 2 360.502 2.197 20 10 FECDLO COc1ccc(O)c(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274938692 550566099 /nfs/dbraw/zinc/56/60/99/550566099.db2.gz QCFDNIXMXZEFHL-OAHLLOKOSA-N 1 2 352.431 2.126 20 10 FECDLO COc1ccc(O)c(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274938692 550566101 /nfs/dbraw/zinc/56/61/01/550566101.db2.gz QCFDNIXMXZEFHL-OAHLLOKOSA-N 1 2 352.431 2.126 20 10 FECDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000279522835 550899382 /nfs/dbraw/zinc/89/93/82/550899382.db2.gz PRWOQHKGZWPUKH-QGZVFWFLSA-N 1 2 360.502 2.149 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289970897 552407943 /nfs/dbraw/zinc/40/79/43/552407943.db2.gz RDUMXIHUYMSUNG-QGZVFWFLSA-N 1 2 361.877 2.166 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289970897 552407946 /nfs/dbraw/zinc/40/79/46/552407946.db2.gz RDUMXIHUYMSUNG-QGZVFWFLSA-N 1 2 361.877 2.166 20 10 FECDLO CCN(CC)c1ccc(C[N@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000290361369 552466811 /nfs/dbraw/zinc/46/68/11/552466811.db2.gz GVGZROYFOHJKSW-INIZCTEOSA-N 1 2 372.506 2.307 20 10 FECDLO CCN(CC)c1ccc(C[N@@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000290361369 552466812 /nfs/dbraw/zinc/46/68/12/552466812.db2.gz GVGZROYFOHJKSW-INIZCTEOSA-N 1 2 372.506 2.307 20 10 FECDLO C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3O)c[nH+]2)CCO1 ZINC000299558775 553581120 /nfs/dbraw/zinc/58/11/20/553581120.db2.gz ZFAIXSWPRYQVAA-AWEZNQCLSA-N 1 2 356.426 2.012 20 10 FECDLO Nc1c(NCc2ccc(N3CCSCC3)cc2)[nH+]cnc1-n1cccn1 ZINC000301627336 553666751 /nfs/dbraw/zinc/66/67/51/553666751.db2.gz ACRUDQVEKGZHJL-UHFFFAOYSA-N 1 2 367.482 2.410 20 10 FECDLO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3O)C2=O)n1 ZINC000360091332 554862388 /nfs/dbraw/zinc/86/23/88/554862388.db2.gz BTCMKYRJQGLZTQ-GFCCVEGCSA-N 1 2 355.225 2.328 20 10 FECDLO Cc1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000363101525 555030351 /nfs/dbraw/zinc/03/03/51/555030351.db2.gz QBESMPGWBWAEIN-UHFFFAOYSA-N 1 2 368.481 2.036 20 10 FECDLO Cc1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000363101525 555030352 /nfs/dbraw/zinc/03/03/52/555030352.db2.gz QBESMPGWBWAEIN-UHFFFAOYSA-N 1 2 368.481 2.036 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC000363630821 555150572 /nfs/dbraw/zinc/15/05/72/555150572.db2.gz AIGQJNVNMAKFPP-KRWDZBQOSA-N 1 2 373.497 2.381 20 10 FECDLO COC(=O)[C@@H]1CC[C@H]1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000367543504 556078464 /nfs/dbraw/zinc/07/84/64/556078464.db2.gz CJNJHZDJUKBQDK-QZTJIDSGSA-N 1 2 360.454 2.322 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2nccn2C)cc1 ZINC000372953696 557595573 /nfs/dbraw/zinc/59/55/73/557595573.db2.gz VAWXQSSZZVPWFX-SFHVURJKSA-N 1 2 355.486 2.282 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2nccn2C)cc1 ZINC000372953696 557595575 /nfs/dbraw/zinc/59/55/75/557595575.db2.gz VAWXQSSZZVPWFX-SFHVURJKSA-N 1 2 355.486 2.282 20 10 FECDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCSc1nccs1 ZINC000806959554 674398181 /nfs/dbraw/zinc/39/81/81/674398181.db2.gz WXSWNZOPMOEWCA-ZIAGYGMSSA-N 1 2 370.544 2.130 20 10 FECDLO Cc1cc(CNC(=O)C(=O)NCCCSc2nccs2)cc(C)[nH+]1 ZINC000817822162 675180294 /nfs/dbraw/zinc/18/02/94/675180294.db2.gz ARUUBFVVYWEPJO-UHFFFAOYSA-N 1 2 364.496 2.070 20 10 FECDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000179334081 672401060 /nfs/dbraw/zinc/40/10/60/672401060.db2.gz PWZIJMAQCOLPDR-GFCCVEGCSA-N 1 2 357.248 2.264 20 10 FECDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000179334081 672401061 /nfs/dbraw/zinc/40/10/61/672401061.db2.gz PWZIJMAQCOLPDR-GFCCVEGCSA-N 1 2 357.248 2.264 20 10 FECDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCn2cc[nH+]c2C1 ZINC000762188479 680744068 /nfs/dbraw/zinc/74/40/68/680744068.db2.gz JLLYMJJMTXJDNX-ZDUSSCGKSA-N 1 2 360.801 2.021 20 10 FECDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCSCC3)cc2)nc[nH+]1 ZINC000840246859 680809695 /nfs/dbraw/zinc/80/96/95/680809695.db2.gz YCELJHYWHLCKRK-AWEZNQCLSA-N 1 2 359.499 2.435 20 10 FECDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCSCC3)cc2)[nH+]cn1 ZINC000840246859 680809697 /nfs/dbraw/zinc/80/96/97/680809697.db2.gz YCELJHYWHLCKRK-AWEZNQCLSA-N 1 2 359.499 2.435 20 10 FECDLO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(Br)cc(F)c1O ZINC000834904976 680281164 /nfs/dbraw/zinc/28/11/64/680281164.db2.gz RNOGLDFGYCURPY-JTQLQIEISA-N 1 2 361.255 2.401 20 10 FECDLO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Br)cc(F)c1O ZINC000756568133 680485999 /nfs/dbraw/zinc/48/59/99/680485999.db2.gz BTBMGENAGWPAHB-PWSUYJOCSA-N 1 2 360.271 2.190 20 10 FECDLO C[N@H+](CC(=O)NCc1ccco1)Cc1cccc(Br)c1O ZINC000768194551 680940234 /nfs/dbraw/zinc/94/02/34/680940234.db2.gz ASVDIEHXCDAMIW-UHFFFAOYSA-N 1 2 353.216 2.496 20 10 FECDLO C[N@@H+](CC(=O)NCc1ccco1)Cc1cccc(Br)c1O ZINC000768194551 680940236 /nfs/dbraw/zinc/94/02/36/680940236.db2.gz ASVDIEHXCDAMIW-UHFFFAOYSA-N 1 2 353.216 2.496 20 10 FECDLO O=S1(=O)C[C@@H](C[NH2+]Cc2cccc(Cl)c2O)Oc2ccccc21 ZINC000843418503 681002963 /nfs/dbraw/zinc/00/29/63/681002963.db2.gz URPMEZOHGGMSTC-GFCCVEGCSA-N 1 2 353.827 2.370 20 10 FECDLO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844130941 681040475 /nfs/dbraw/zinc/04/04/75/681040475.db2.gz JMFRCIGYXIWSAY-INIZCTEOSA-N 1 2 356.495 2.315 20 10 FECDLO COC(=O)[C@@H]([N@H+](C)CCN(C)c1ccc(OC)cc1)C1(OC)CCC1 ZINC000844402724 681056882 /nfs/dbraw/zinc/05/68/82/681056882.db2.gz UOWQYDWOTNILOR-QGZVFWFLSA-N 1 2 350.459 2.174 20 10 FECDLO COC(=O)[C@@H]([N@@H+](C)CCN(C)c1ccc(OC)cc1)C1(OC)CCC1 ZINC000844402724 681056884 /nfs/dbraw/zinc/05/68/84/681056884.db2.gz UOWQYDWOTNILOR-QGZVFWFLSA-N 1 2 350.459 2.174 20 10 FECDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847661306 681412661 /nfs/dbraw/zinc/41/26/61/681412661.db2.gz OCRMMTUOSNHYPK-LLVKDONJSA-N 1 2 365.817 2.149 20 10 FECDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847661306 681412664 /nfs/dbraw/zinc/41/26/64/681412664.db2.gz OCRMMTUOSNHYPK-LLVKDONJSA-N 1 2 365.817 2.149 20 10 FECDLO COCCCNC(=O)C[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781895183 681986459 /nfs/dbraw/zinc/98/64/59/681986459.db2.gz PTJIAWBHXYGNOM-UHFFFAOYSA-N 1 2 359.264 2.048 20 10 FECDLO COCCCNC(=O)C[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781895183 681986462 /nfs/dbraw/zinc/98/64/62/681986462.db2.gz PTJIAWBHXYGNOM-UHFFFAOYSA-N 1 2 359.264 2.048 20 10 FECDLO CCC(CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCOCC1 ZINC000790070608 682654626 /nfs/dbraw/zinc/65/46/26/682654626.db2.gz VYEJPFJODXOAQW-CQSZACIVSA-N 1 2 354.422 2.104 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000877795013 686464896 /nfs/dbraw/zinc/46/48/96/686464896.db2.gz ZUGJLRHSYABVOU-YPMHNXCESA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000877795013 686464902 /nfs/dbraw/zinc/46/49/02/686464902.db2.gz ZUGJLRHSYABVOU-YPMHNXCESA-N 1 2 374.300 2.330 20 10 FECDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H](C)N1CCOCC1 ZINC000882986574 687540763 /nfs/dbraw/zinc/54/07/63/687540763.db2.gz CMKNYJOQXDTMHQ-QWRGUYRKSA-N 1 2 361.255 2.493 20 10 FECDLO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC000883051093 687553894 /nfs/dbraw/zinc/55/38/94/687553894.db2.gz NHONPARYUPLVMO-UHFFFAOYSA-N 1 2 359.155 2.188 20 10 FECDLO CC(C)[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[NH+]1CCOCC1 ZINC000895577533 689739444 /nfs/dbraw/zinc/73/94/44/689739444.db2.gz MQJZELWDEYVYMV-CYBMUJFWSA-N 1 2 364.467 2.399 20 10 FECDLO CN(C)c1ccc(CN(C)C(=O)CSc2[nH+]cnc3c2cnn3C)cc1 ZINC000011495062 539529557 /nfs/dbraw/zinc/52/95/57/539529557.db2.gz HZMVQWAKGCLXDT-UHFFFAOYSA-N 1 2 370.482 2.180 20 10 FECDLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(=O)NCCF ZINC000800498335 674057511 /nfs/dbraw/zinc/05/75/11/674057511.db2.gz HLUFRVJRXLCNFB-YUMQZZPRSA-N 1 2 351.191 2.419 20 10 FECDLO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000104595712 543135703 /nfs/dbraw/zinc/13/57/03/543135703.db2.gz VVDFWHWHZCGYNJ-HZPDHXFCSA-N 1 2 356.470 2.328 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000134359970 544304807 /nfs/dbraw/zinc/30/48/07/544304807.db2.gz IWLKTXMUYITNST-CQSZACIVSA-N 1 2 374.890 2.150 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000134359970 544304808 /nfs/dbraw/zinc/30/48/08/544304808.db2.gz IWLKTXMUYITNST-CQSZACIVSA-N 1 2 374.890 2.150 20 10 FECDLO CCn1nccc1C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000184752275 547874494 /nfs/dbraw/zinc/87/44/94/547874494.db2.gz JGPUXMZUFGLEGZ-UHFFFAOYSA-N 1 2 360.458 2.251 20 10 FECDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000186049893 548077863 /nfs/dbraw/zinc/07/78/63/548077863.db2.gz HZSSSSMDWLUYKL-UHFFFAOYSA-N 1 2 371.403 2.212 20 10 FECDLO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000191201672 548341493 /nfs/dbraw/zinc/34/14/93/548341493.db2.gz UFJKEGHPXYLNRV-GFCCVEGCSA-N 1 2 355.429 2.312 20 10 FECDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000245654397 548968044 /nfs/dbraw/zinc/96/80/44/548968044.db2.gz IMGUIDQAZFDJDM-OLZOCXBDSA-N 1 2 358.232 2.225 20 10 FECDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000245654397 548968047 /nfs/dbraw/zinc/96/80/47/548968047.db2.gz IMGUIDQAZFDJDM-OLZOCXBDSA-N 1 2 358.232 2.225 20 10 FECDLO COc1cc([N+](=O)[O-])c(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1OC ZINC000271023548 550332749 /nfs/dbraw/zinc/33/27/49/550332749.db2.gz JMXJFBOYJIFGIB-LLVKDONJSA-N 1 2 366.443 2.225 20 10 FECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCN1c1nccn2cnnc12 ZINC000271834321 550404781 /nfs/dbraw/zinc/40/47/81/550404781.db2.gz PGKCBYZVFPARMC-GFCCVEGCSA-N 1 2 358.833 2.194 20 10 FECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCN1c1nccn2cnnc12 ZINC000271834321 550404784 /nfs/dbraw/zinc/40/47/84/550404784.db2.gz PGKCBYZVFPARMC-GFCCVEGCSA-N 1 2 358.833 2.194 20 10 FECDLO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273401914 550497368 /nfs/dbraw/zinc/49/73/68/550497368.db2.gz NLBXVPFDMITOTK-LBPRGKRZSA-N 1 2 359.382 2.276 20 10 FECDLO COc1c(O)c(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209959 550761281 /nfs/dbraw/zinc/76/12/81/550761281.db2.gz KEGLRJPNAXPUFA-GXTWGEPZSA-N 1 2 372.443 2.097 20 10 FECDLO COc1c(O)c(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209959 550761283 /nfs/dbraw/zinc/76/12/83/550761283.db2.gz KEGLRJPNAXPUFA-GXTWGEPZSA-N 1 2 372.443 2.097 20 10 FECDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287460975 552006903 /nfs/dbraw/zinc/00/69/03/552006903.db2.gz OXTVXDSUWJAICX-YLJYHZDGSA-N 1 2 370.497 2.067 20 10 FECDLO NC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000289690526 552362418 /nfs/dbraw/zinc/36/24/18/552362418.db2.gz FLXXPFOLOWNIOB-KRWDZBQOSA-N 1 2 359.857 2.390 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293035209 552782755 /nfs/dbraw/zinc/78/27/55/552782755.db2.gz RWNKPRXGFVCATN-OAHLLOKOSA-N 1 2 364.833 2.169 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293035209 552782756 /nfs/dbraw/zinc/78/27/56/552782756.db2.gz RWNKPRXGFVCATN-OAHLLOKOSA-N 1 2 364.833 2.169 20 10 FECDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000294477427 552909311 /nfs/dbraw/zinc/90/93/11/552909311.db2.gz ZSZDEWMWXOQHOE-UHFFFAOYSA-N 1 2 350.843 2.041 20 10 FECDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000294477427 552909313 /nfs/dbraw/zinc/90/93/13/552909313.db2.gz ZSZDEWMWXOQHOE-UHFFFAOYSA-N 1 2 350.843 2.041 20 10 FECDLO C[C@@H](O)CNc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc[nH+]1 ZINC000298223014 553400169 /nfs/dbraw/zinc/40/01/69/553400169.db2.gz KDSLKMKRDYIOCN-CYBMUJFWSA-N 1 2 350.426 2.439 20 10 FECDLO C[C@@H](O)CNc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)[nH+]cn1 ZINC000298223014 553400170 /nfs/dbraw/zinc/40/01/70/553400170.db2.gz KDSLKMKRDYIOCN-CYBMUJFWSA-N 1 2 350.426 2.439 20 10 FECDLO CC(=O)CSCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000365513532 555595717 /nfs/dbraw/zinc/59/57/17/555595717.db2.gz XZPYFJGHCYNDFK-HNNXBMFYSA-N 1 2 370.902 2.448 20 10 FECDLO CC(=O)CSCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000365513532 555595719 /nfs/dbraw/zinc/59/57/19/555595719.db2.gz XZPYFJGHCYNDFK-HNNXBMFYSA-N 1 2 370.902 2.448 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791232 555935153 /nfs/dbraw/zinc/93/51/53/555935153.db2.gz CGSGBBDQLUSZIE-LXIYXOSZSA-N 1 2 366.414 2.467 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791232 555935155 /nfs/dbraw/zinc/93/51/55/555935155.db2.gz CGSGBBDQLUSZIE-LXIYXOSZSA-N 1 2 366.414 2.467 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)C3(O)CCSCC3)CC2)cc1 ZINC000367045427 556000910 /nfs/dbraw/zinc/00/09/10/556000910.db2.gz LMWQGUVQZJSDQZ-UHFFFAOYSA-N 1 2 364.511 2.381 20 10 FECDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000372812292 557567299 /nfs/dbraw/zinc/56/72/99/557567299.db2.gz AVPOAINDVWPUEJ-SNVBAGLBSA-N 1 2 350.843 2.087 20 10 FECDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000372812292 557567302 /nfs/dbraw/zinc/56/73/02/557567302.db2.gz AVPOAINDVWPUEJ-SNVBAGLBSA-N 1 2 350.843 2.087 20 10 FECDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000761228968 680715868 /nfs/dbraw/zinc/71/58/68/680715868.db2.gz PNRRVXPQJNNFKW-GFCCVEGCSA-N 1 2 354.248 2.191 20 10 FECDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000761228968 680715869 /nfs/dbraw/zinc/71/58/69/680715869.db2.gz PNRRVXPQJNNFKW-GFCCVEGCSA-N 1 2 354.248 2.191 20 10 FECDLO CCN(CC)C(=O)CN1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840909892 680852221 /nfs/dbraw/zinc/85/22/21/680852221.db2.gz MKVPXGPHEZPTPP-UHFFFAOYSA-N 1 2 353.894 2.340 20 10 FECDLO O=S(=O)(c1c(F)cccc1F)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000770508754 681018524 /nfs/dbraw/zinc/01/85/24/681018524.db2.gz GXLNRPULUITNMD-UHFFFAOYSA-N 1 2 368.405 2.177 20 10 FECDLO COc1cc(O)c(C[N@H+](CCO)Cc2cccnc2Cl)cc1OC ZINC000793364419 682885372 /nfs/dbraw/zinc/88/53/72/682885372.db2.gz QKXKTLDDDRRRKW-UHFFFAOYSA-N 1 2 352.818 2.452 20 10 FECDLO COc1cc(O)c(C[N@@H+](CCO)Cc2cccnc2Cl)cc1OC ZINC000793364419 682885376 /nfs/dbraw/zinc/88/53/76/682885376.db2.gz QKXKTLDDDRRRKW-UHFFFAOYSA-N 1 2 352.818 2.452 20 10 FECDLO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1O ZINC000858434805 682968152 /nfs/dbraw/zinc/96/81/52/682968152.db2.gz PZVDPIIYRDDCCR-QPUJVOFHSA-N 1 2 358.211 2.412 20 10 FECDLO NS(=O)(=O)c1cccc2c1CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000877761166 686450342 /nfs/dbraw/zinc/45/03/42/686450342.db2.gz CICJHXRHRNRHNX-UHFFFAOYSA-N 1 2 352.843 2.251 20 10 FECDLO NS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000877761166 686450345 /nfs/dbraw/zinc/45/03/45/686450345.db2.gz CICJHXRHRNRHNX-UHFFFAOYSA-N 1 2 352.843 2.251 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877793012 686463464 /nfs/dbraw/zinc/46/34/64/686463464.db2.gz LSVHQCLAHSJKFO-WCQYABFASA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877793012 686463468 /nfs/dbraw/zinc/46/34/68/686463468.db2.gz LSVHQCLAHSJKFO-WCQYABFASA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)ccc1N(C)C ZINC000879676873 686886906 /nfs/dbraw/zinc/88/69/06/686886906.db2.gz GMHMFCBIYJJCEB-UHFFFAOYSA-N 1 2 359.495 2.267 20 10 FECDLO Cc1cc(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)ccc1N(C)C ZINC000879676873 686886911 /nfs/dbraw/zinc/88/69/11/686886911.db2.gz GMHMFCBIYJJCEB-UHFFFAOYSA-N 1 2 359.495 2.267 20 10 FECDLO CC(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1O)[NH+]1CCOCC1 ZINC000891738384 689099410 /nfs/dbraw/zinc/09/94/10/689099410.db2.gz HLNQVSNCCZXKGT-OAHLLOKOSA-N 1 2 355.866 2.202 20 10 FECDLO O=C1CC2(CN1)CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC000894032323 689453606 /nfs/dbraw/zinc/45/36/06/689453606.db2.gz IPJCMBWTIGTJRR-UHFFFAOYSA-N 1 2 357.223 2.396 20 10 FECDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@]1(CO)CCOC1 ZINC000895388322 689707699 /nfs/dbraw/zinc/70/76/99/689707699.db2.gz IFILMDYCHIQEEZ-ZDUSSCGKSA-N 1 2 350.640 2.391 20 10 FECDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@]1(CO)CCOC1 ZINC000895388322 689707703 /nfs/dbraw/zinc/70/77/03/689707703.db2.gz IFILMDYCHIQEEZ-ZDUSSCGKSA-N 1 2 350.640 2.391 20 10 FECDLO C[C@H](CNC(=O)NCc1cccc(Cl)c1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602701 689742521 /nfs/dbraw/zinc/74/25/21/689742521.db2.gz BRBRKTWQWRBCFD-UPJWGTAASA-N 1 2 355.866 2.343 20 10 FECDLO C[C@H](CNC(=O)NCc1cccc(Cl)c1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602701 689742524 /nfs/dbraw/zinc/74/25/24/689742524.db2.gz BRBRKTWQWRBCFD-UPJWGTAASA-N 1 2 355.866 2.343 20 10 FECDLO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1[O-] ZINC000093664311 542936993 /nfs/dbraw/zinc/93/69/93/542936993.db2.gz KNKVAQWWPUCEOP-GFCCVEGCSA-N 1 2 355.822 2.108 20 10 FECDLO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1[O-] ZINC000093664311 542936996 /nfs/dbraw/zinc/93/69/96/542936996.db2.gz KNKVAQWWPUCEOP-GFCCVEGCSA-N 1 2 355.822 2.108 20 10 FECDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000108708838 543300055 /nfs/dbraw/zinc/30/00/55/543300055.db2.gz DADXERSUPDBFFU-URPWPPKMSA-N 1 2 366.465 2.173 20 10 FECDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175225317 546307736 /nfs/dbraw/zinc/30/77/36/546307736.db2.gz HSRBPCDRAUQOKZ-HXUWFJFHSA-N 1 2 370.497 2.069 20 10 FECDLO CC(=O)c1cc(F)cc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1O ZINC000177280098 546585814 /nfs/dbraw/zinc/58/58/14/546585814.db2.gz UFXSZJNQHYQUBB-ZDUSSCGKSA-N 1 2 350.434 2.419 20 10 FECDLO CC(=O)c1cc(F)cc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1O ZINC000177280098 546585820 /nfs/dbraw/zinc/58/58/20/546585820.db2.gz UFXSZJNQHYQUBB-ZDUSSCGKSA-N 1 2 350.434 2.419 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000179139677 546904494 /nfs/dbraw/zinc/90/44/94/546904494.db2.gz KRSIFSDBWAPBSR-KRWDZBQOSA-N 1 2 368.481 2.432 20 10 FECDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000179139677 546904497 /nfs/dbraw/zinc/90/44/97/546904497.db2.gz KRSIFSDBWAPBSR-KRWDZBQOSA-N 1 2 368.481 2.432 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000180606435 547139906 /nfs/dbraw/zinc/13/99/06/547139906.db2.gz CXSCVPJPDWNYIL-CSPWOOARSA-N 1 2 374.462 2.362 20 10 FECDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000269500715 550202204 /nfs/dbraw/zinc/20/22/04/550202204.db2.gz QQAAMBBOHJXUIU-SNVBAGLBSA-N 1 2 367.298 2.460 20 10 FECDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000269500715 550202205 /nfs/dbraw/zinc/20/22/05/550202205.db2.gz QQAAMBBOHJXUIU-SNVBAGLBSA-N 1 2 367.298 2.460 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)c[nH+]2)CCO1 ZINC000272551687 550457541 /nfs/dbraw/zinc/45/75/41/550457541.db2.gz YZYRUUOTUNUKIF-BTKRWWFXSA-N 1 2 369.421 2.048 20 10 FECDLO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1O ZINC000273411014 550497574 /nfs/dbraw/zinc/49/75/74/550497574.db2.gz POXBMMHSEUWBIR-ZDUSSCGKSA-N 1 2 358.398 2.383 20 10 FECDLO CCOC(=O)[C@@H](CC)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273623735 550505886 /nfs/dbraw/zinc/50/58/86/550505886.db2.gz QZUOBYIMYLILMS-OAHLLOKOSA-N 1 2 366.458 2.176 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000274105373 550523310 /nfs/dbraw/zinc/52/33/10/550523310.db2.gz KQZWNSYUFUHHJI-ZDUSSCGKSA-N 1 2 362.289 2.472 20 10 FECDLO C[C@H](C(=O)NCc1cccc(Br)c1O)[NH+]1CCSCC1 ZINC000277602696 550690441 /nfs/dbraw/zinc/69/04/41/550690441.db2.gz UJXCMHQWBNALLO-SNVBAGLBSA-N 1 2 359.289 2.208 20 10 FECDLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)n2C ZINC000278542829 550797342 /nfs/dbraw/zinc/79/73/42/550797342.db2.gz XUNYRVDSBYVGSL-UHFFFAOYSA-N 1 2 372.381 2.494 20 10 FECDLO CCOCc1cc(C[NH2+]Cc2ncccc2S(C)(=O)=O)ccc1OC ZINC000278745700 550817228 /nfs/dbraw/zinc/81/72/28/550817228.db2.gz MVVKGHBEVFEHQW-UHFFFAOYSA-N 1 2 364.467 2.320 20 10 FECDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286466167 551888777 /nfs/dbraw/zinc/88/87/77/551888777.db2.gz BHEFCTAKWKOJRW-YLJYHZDGSA-N 1 2 372.513 2.291 20 10 FECDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000294067226 552879438 /nfs/dbraw/zinc/87/94/38/552879438.db2.gz YGAMESOCWCDYND-LLVKDONJSA-N 1 2 362.289 2.411 20 10 FECDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000294067226 552879440 /nfs/dbraw/zinc/87/94/40/552879440.db2.gz YGAMESOCWCDYND-LLVKDONJSA-N 1 2 362.289 2.411 20 10 FECDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000294751283 552931667 /nfs/dbraw/zinc/93/16/67/552931667.db2.gz IFLSLPSRUCOYOK-QHCPKHFHSA-N 1 2 359.875 2.322 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c1O ZINC000295271534 552979583 /nfs/dbraw/zinc/97/95/83/552979583.db2.gz HSIHYKDPPJVFPI-JTQLQIEISA-N 1 2 351.790 2.304 20 10 FECDLO O=C(NCc1ccccc1O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000299492135 553571037 /nfs/dbraw/zinc/57/10/37/553571037.db2.gz JTUGZUAAIJTKDD-HNNXBMFYSA-N 1 2 361.467 2.326 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791231 555935027 /nfs/dbraw/zinc/93/50/27/555935027.db2.gz CGSGBBDQLUSZIE-FHSNZYRGSA-N 1 2 366.414 2.467 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791231 555935034 /nfs/dbraw/zinc/93/50/34/555935034.db2.gz CGSGBBDQLUSZIE-FHSNZYRGSA-N 1 2 366.414 2.467 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)c1O ZINC000371862514 557314071 /nfs/dbraw/zinc/31/40/71/557314071.db2.gz DYVRTODUGSXYHZ-UHFFFAOYSA-N 1 2 362.817 2.066 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)[C@H]3CCO[C@@H]3C)CC2)cc1 ZINC000372622733 557523791 /nfs/dbraw/zinc/52/37/91/557523791.db2.gz WSUWBEIYDGSKAO-KDOFPFPSSA-N 1 2 368.499 2.103 20 10 FECDLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000375927405 558100896 /nfs/dbraw/zinc/10/08/96/558100896.db2.gz LQZOSDHAJHWHTI-NSHDSACASA-N 1 2 362.854 2.185 20 10 FECDLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000375927405 558100898 /nfs/dbraw/zinc/10/08/98/558100898.db2.gz LQZOSDHAJHWHTI-NSHDSACASA-N 1 2 362.854 2.185 20 10 FECDLO CC(C)(CNC(=O)NCCCSc1nccs1)[NH+]1CCOCC1 ZINC000151664874 672167525 /nfs/dbraw/zinc/16/75/25/672167525.db2.gz XKPIZSSYNQFIGR-UHFFFAOYSA-N 1 2 358.533 2.035 20 10 FECDLO Cc1ncccc1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000728982800 673217593 /nfs/dbraw/zinc/21/75/93/673217593.db2.gz OVYUNSUFYZCEBQ-QINSGFPZSA-N 1 2 363.508 2.314 20 10 FECDLO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Br)cc(F)c1O ZINC000818362044 675216254 /nfs/dbraw/zinc/21/62/54/675216254.db2.gz OSNLOVNVMBSFOE-CPCISQLKSA-N 1 2 359.195 2.092 20 10 FECDLO Cc1cc(Br)cc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1O ZINC000827118511 675730889 /nfs/dbraw/zinc/73/08/89/675730889.db2.gz CJJWLUSZWKFCAA-OAHLLOKOSA-N 1 2 355.276 2.370 20 10 FECDLO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000756370091 680474836 /nfs/dbraw/zinc/47/48/36/680474836.db2.gz GHPAMRPWMXKKAP-RKDXNWHRSA-N 1 2 366.252 2.379 20 10 FECDLO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756776546 680497172 /nfs/dbraw/zinc/49/71/72/680497172.db2.gz PXSLEUSOVZYJPR-AMIZOPFISA-N 1 2 358.211 2.412 20 10 FECDLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484944 680609977 /nfs/dbraw/zinc/60/99/77/680609977.db2.gz JKRQNZOSTQEAEB-INIZCTEOSA-N 1 2 362.861 2.331 20 10 FECDLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484944 680609981 /nfs/dbraw/zinc/60/99/81/680609981.db2.gz JKRQNZOSTQEAEB-INIZCTEOSA-N 1 2 362.861 2.331 20 10 FECDLO Cc1nccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484944 680609984 /nfs/dbraw/zinc/60/99/84/680609984.db2.gz JKRQNZOSTQEAEB-INIZCTEOSA-N 1 2 362.861 2.331 20 10 FECDLO Cc1nccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484944 680609987 /nfs/dbraw/zinc/60/99/87/680609987.db2.gz JKRQNZOSTQEAEB-INIZCTEOSA-N 1 2 362.861 2.331 20 10 FECDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448366 680947190 /nfs/dbraw/zinc/94/71/90/680947190.db2.gz UQVFTYUEERCNGK-CYBMUJFWSA-N 1 2 357.332 2.209 20 10 FECDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448366 680947191 /nfs/dbraw/zinc/94/71/91/680947191.db2.gz UQVFTYUEERCNGK-CYBMUJFWSA-N 1 2 357.332 2.209 20 10 FECDLO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000776336655 681383658 /nfs/dbraw/zinc/38/36/58/681383658.db2.gz VQMLNOPUHJZZGG-INIZCTEOSA-N 1 2 356.495 2.315 20 10 FECDLO CN(C)c1ccc(C[NH2+]Cc2nnc3n2CCOC3)c(C(F)(F)F)c1 ZINC000793178096 682869722 /nfs/dbraw/zinc/86/97/22/682869722.db2.gz WVMQPRYCFXHBKC-UHFFFAOYSA-N 1 2 355.364 2.183 20 10 FECDLO Oc1cccc(Br)c1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000862326039 683568785 /nfs/dbraw/zinc/56/87/85/683568785.db2.gz IONYPOCPCYSOTM-UHFFFAOYSA-N 1 2 367.222 2.406 20 10 FECDLO COC(=O)C(C)(C)N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862331781 683571743 /nfs/dbraw/zinc/57/17/43/683571743.db2.gz PHBWRJKEKOBTMU-UHFFFAOYSA-N 1 2 371.275 2.224 20 10 FECDLO CCN(C)c1ccc(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC000879677221 686886562 /nfs/dbraw/zinc/88/65/62/686886562.db2.gz KMBLPVCRZUNQLW-UHFFFAOYSA-N 1 2 359.495 2.348 20 10 FECDLO CCN(C)c1ccc(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC000879677221 686886567 /nfs/dbraw/zinc/88/65/67/686886567.db2.gz KMBLPVCRZUNQLW-UHFFFAOYSA-N 1 2 359.495 2.348 20 10 FECDLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882995499 687542177 /nfs/dbraw/zinc/54/21/77/687542177.db2.gz AOAZUMYXOFYUOY-QMMMGPOBSA-N 1 2 354.241 2.207 20 10 FECDLO OCCCN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883132649 687573430 /nfs/dbraw/zinc/57/34/30/687573430.db2.gz ZIDBHSCXFBAUES-CYBMUJFWSA-N 1 2 361.255 2.230 20 10 FECDLO Oc1c(F)cc(Br)cc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895258433 689686384 /nfs/dbraw/zinc/68/63/84/689686384.db2.gz CVKGQZIHFVUZRA-CYBMUJFWSA-N 1 2 359.239 2.200 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H](C)c3nncn3C)CC2)cc1 ZINC000066149292 541284822 /nfs/dbraw/zinc/28/48/22/541284822.db2.gz ZCNSEEWCPZDBPJ-CQSZACIVSA-N 1 2 372.473 2.195 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCc3nc(C)no3)CC2)cc1 ZINC000066205294 541290332 /nfs/dbraw/zinc/29/03/32/541290332.db2.gz OXKBZCZHVNCTNZ-UHFFFAOYSA-N 1 2 359.430 2.197 20 10 FECDLO Cc1cc(Br)c(O)c(CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000827120485 675731151 /nfs/dbraw/zinc/73/11/51/675731151.db2.gz TYNYQQZESUWPCJ-AWEZNQCLSA-N 1 2 355.276 2.370 20 10 FECDLO CCn1c2nnc(C[N@H+](C)Cc3ccccc3O)n2c2ccccc2c1=O ZINC000109771666 543338335 /nfs/dbraw/zinc/33/83/35/543338335.db2.gz MAXATAAGICRFNT-UHFFFAOYSA-N 1 2 363.421 2.402 20 10 FECDLO CCn1c2nnc(C[N@@H+](C)Cc3ccccc3O)n2c2ccccc2c1=O ZINC000109771666 543338337 /nfs/dbraw/zinc/33/83/37/543338337.db2.gz MAXATAAGICRFNT-UHFFFAOYSA-N 1 2 363.421 2.402 20 10 FECDLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 ZINC000191801268 548351031 /nfs/dbraw/zinc/35/10/31/548351031.db2.gz CJGCGZVIBKTWRX-QGZVFWFLSA-N 1 2 355.394 2.500 20 10 FECDLO COc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCOCC2)cc1 ZINC000237487636 548829282 /nfs/dbraw/zinc/82/92/82/548829282.db2.gz JHDMJGCDMCGRPK-HXUWFJFHSA-N 1 2 369.465 2.010 20 10 FECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccn(C(C)C)n3)CC2)cc1 ZINC000265046303 550005408 /nfs/dbraw/zinc/00/54/08/550005408.db2.gz QYLRQHAZVJCTCD-UHFFFAOYSA-N 1 2 371.485 2.025 20 10 FECDLO COc1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cccnc3)CC2)cc1OC ZINC000270976124 550327219 /nfs/dbraw/zinc/32/72/19/550327219.db2.gz BOKCHPABTWAKID-UHFFFAOYSA-N 1 2 358.398 2.329 20 10 FECDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)[C@@H](C(=O)OC)C1 ZINC000272536318 550456843 /nfs/dbraw/zinc/45/68/43/550456843.db2.gz OGAXXDNICMQTON-BXUZGUMPSA-N 1 2 355.818 2.281 20 10 FECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)[C@@H](C(=O)OC)C1 ZINC000272536318 550456845 /nfs/dbraw/zinc/45/68/45/550456845.db2.gz OGAXXDNICMQTON-BXUZGUMPSA-N 1 2 355.818 2.281 20 10 FECDLO CN(C)c1ccc2c(c1)OCCN2C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000281013172 551055071 /nfs/dbraw/zinc/05/50/71/551055071.db2.gz SOJZSOCHSOOLTL-UHFFFAOYSA-N 1 2 353.413 2.455 20 10 FECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000282806631 551272434 /nfs/dbraw/zinc/27/24/34/551272434.db2.gz XMZKSNMSZXWRKQ-UHFFFAOYSA-N 1 2 364.423 2.048 20 10 FECDLO O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccn2cc[nH+]c2c1 ZINC000290644475 552512301 /nfs/dbraw/zinc/51/23/01/552512301.db2.gz JRZZXFULWJXBRS-UHFFFAOYSA-N 1 2 351.410 2.493 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C(C)=O)CC2)cc1 ZINC000363333485 555080203 /nfs/dbraw/zinc/08/02/03/555080203.db2.gz JJMJWVKBQNVTDX-LJQANCHMSA-N 1 2 359.470 2.133 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)COC[C@@H]3CCOC3)CC2)cc1 ZINC000365344128 555548937 /nfs/dbraw/zinc/54/89/37/555548937.db2.gz MASQJBNYRCFSAC-MRXNPFEDSA-N 1 2 362.470 2.176 20 10 FECDLO CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000367894529 556166848 /nfs/dbraw/zinc/16/68/48/556166848.db2.gz DKYIXYIFQRSVDK-MAUKXSAKSA-N 1 2 367.921 2.493 20 10 FECDLO CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000367894530 556167182 /nfs/dbraw/zinc/16/71/82/556167182.db2.gz DKYIXYIFQRSVDK-QAPCUYQASA-N 1 2 367.921 2.493 20 10 FECDLO CN(C)c1ccc(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1F ZINC000371501595 557201713 /nfs/dbraw/zinc/20/17/13/557201713.db2.gz GLEIVBWFVQEHPW-UHFFFAOYSA-N 1 2 368.416 2.472 20 10 FECDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372538301 557497264 /nfs/dbraw/zinc/49/72/64/557497264.db2.gz LPYONISVSQEHRJ-QWHCGFSZSA-N 1 2 359.382 2.343 20 10 FECDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372538301 557497266 /nfs/dbraw/zinc/49/72/66/557497266.db2.gz LPYONISVSQEHRJ-QWHCGFSZSA-N 1 2 359.382 2.343 20 10 FECDLO CCn1cc(C(=O)C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)cn1 ZINC000378272114 558516440 /nfs/dbraw/zinc/51/64/40/558516440.db2.gz MHFJYGWVZMNHGB-UHFFFAOYSA-N 1 2 370.453 2.222 20 10 FECDLO NC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000809728682 674507517 /nfs/dbraw/zinc/50/75/17/674507517.db2.gz FKQZZOZPBXWXPP-SFHVURJKSA-N 1 2 359.857 2.390 20 10 FECDLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C1=CC(=O)CS1 ZINC000732278294 673361491 /nfs/dbraw/zinc/36/14/91/673361491.db2.gz HBHJKQGRRSLQPI-UHFFFAOYSA-N 1 2 362.451 2.095 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1Cl ZINC000824534684 675609251 /nfs/dbraw/zinc/60/92/51/675609251.db2.gz IEHQNDUFLARLCT-UHFFFAOYSA-N 1 2 351.878 2.094 20 10 FECDLO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1O ZINC000756776442 680497234 /nfs/dbraw/zinc/49/72/34/680497234.db2.gz PGLYEMKTAWRQEY-SDBXPKJASA-N 1 2 358.211 2.412 20 10 FECDLO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844130942 681040472 /nfs/dbraw/zinc/04/04/72/681040472.db2.gz JMFRCIGYXIWSAY-MRXNPFEDSA-N 1 2 356.495 2.315 20 10 FECDLO COc1c(O)c(C[N@H+](C)CC(=O)NCc2cccs2)ccc1[N+](=O)[O-] ZINC000774885663 681246132 /nfs/dbraw/zinc/24/61/32/681246132.db2.gz DECZJKZVPHOBQR-UHFFFAOYSA-N 1 2 365.411 2.119 20 10 FECDLO COc1c(O)c(C[N@@H+](C)CC(=O)NCc2cccs2)ccc1[N+](=O)[O-] ZINC000774885663 681246136 /nfs/dbraw/zinc/24/61/36/681246136.db2.gz DECZJKZVPHOBQR-UHFFFAOYSA-N 1 2 365.411 2.119 20 10 FECDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000877696207 686439953 /nfs/dbraw/zinc/43/99/53/686439953.db2.gz ZXBLMKRNUPOLBW-GOSISDBHSA-N 1 2 355.406 2.090 20 10 FECDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000877696207 686439958 /nfs/dbraw/zinc/43/99/58/686439958.db2.gz ZXBLMKRNUPOLBW-GOSISDBHSA-N 1 2 355.406 2.090 20 10 FECDLO Cn1nccc1[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883144369 687576739 /nfs/dbraw/zinc/57/67/39/687576739.db2.gz MOYMXXSTBMMXLW-LLVKDONJSA-N 1 2 360.639 2.365 20 10 FECDLO O=C1O[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CN1C1CC1 ZINC000883162566 687580089 /nfs/dbraw/zinc/58/00/89/687580089.db2.gz XCGHXMUXLHPNTI-NSHDSACASA-N 1 2 359.195 2.367 20 10 FECDLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000894456733 689536062 /nfs/dbraw/zinc/53/60/62/689536062.db2.gz VQWKQRDVTOKZEU-AWEZNQCLSA-N 1 2 364.211 2.352 20 10 FECDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@@]1(CO)CCOC1 ZINC000895388319 689707947 /nfs/dbraw/zinc/70/79/47/689707947.db2.gz IFILMDYCHIQEEZ-CYBMUJFWSA-N 1 2 350.640 2.391 20 10 FECDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@@]1(CO)CCOC1 ZINC000895388319 689707953 /nfs/dbraw/zinc/70/79/53/689707953.db2.gz IFILMDYCHIQEEZ-CYBMUJFWSA-N 1 2 350.640 2.391 20 10 FECDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896792586 689931072 /nfs/dbraw/zinc/93/10/72/689931072.db2.gz WUWKVXJCHQUVOP-UHFFFAOYSA-N 1 2 364.467 2.495 20 10 FECDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(=O)NCCF ZINC000800498333 674057495 /nfs/dbraw/zinc/05/74/95/674057495.db2.gz HLUFRVJRXLCNFB-JGVFFNPUSA-N 1 2 351.191 2.419 20 10 FECDLO Cc1cc(NC(=O)CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)no1 ZINC000123139568 543744912 /nfs/dbraw/zinc/74/49/12/543744912.db2.gz SRAYHSSQDFENLY-UHFFFAOYSA-N 1 2 364.833 2.098 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000804732907 674299115 /nfs/dbraw/zinc/29/91/15/674299115.db2.gz DZEWHMRJCZSOBA-SNVBAGLBSA-N 1 2 350.216 2.230 20 10 FECDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000180906249 547206838 /nfs/dbraw/zinc/20/68/38/547206838.db2.gz HUGAYVPZXHSMSN-PDFOZTTASA-N 1 2 368.433 2.301 20 10 FECDLO CC(=O)NCC[N@H+](Cc1cc(C)ccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272898298 550475880 /nfs/dbraw/zinc/47/58/80/550475880.db2.gz PLYLSQDQRWFQSR-CQSZACIVSA-N 1 2 350.459 2.369 20 10 FECDLO CC(=O)NCC[N@@H+](Cc1cc(C)ccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272898298 550475881 /nfs/dbraw/zinc/47/58/81/550475881.db2.gz PLYLSQDQRWFQSR-CQSZACIVSA-N 1 2 350.459 2.369 20 10 FECDLO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273399748 550497127 /nfs/dbraw/zinc/49/71/27/550497127.db2.gz MURMZDMZFUMEQR-NSHDSACASA-N 1 2 365.411 2.059 20 10 FECDLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)c(F)c1O ZINC000276970291 550616963 /nfs/dbraw/zinc/61/69/63/550616963.db2.gz XSDLYSRZZASIQA-LLVKDONJSA-N 1 2 371.405 2.287 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278297462 550770192 /nfs/dbraw/zinc/77/01/92/550770192.db2.gz CKFDYSKPFQDSQN-UHFFFAOYSA-N 1 2 358.398 2.022 20 10 FECDLO COc1c(O)c(CN2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278297462 550770194 /nfs/dbraw/zinc/77/01/94/550770194.db2.gz CKFDYSKPFQDSQN-UHFFFAOYSA-N 1 2 358.398 2.022 20 10 FECDLO COC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000279666463 550914525 /nfs/dbraw/zinc/91/45/25/550914525.db2.gz HAJREKBOBSBYOH-SECBINFHSA-N 1 2 369.053 2.014 20 10 FECDLO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000283721281 551415892 /nfs/dbraw/zinc/41/58/92/551415892.db2.gz VMCDOYMZYQGSPH-QGZVFWFLSA-N 1 2 362.518 2.340 20 10 FECDLO COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)nn1 ZINC000284302763 551519030 /nfs/dbraw/zinc/51/90/30/551519030.db2.gz IWXXFEJRRQWUBH-MRVPVSSYSA-N 1 2 359.213 2.428 20 10 FECDLO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000285780425 551809826 /nfs/dbraw/zinc/80/98/26/551809826.db2.gz UPZIIMCMIQMTKO-QMTHXVAHSA-N 1 2 363.336 2.214 20 10 FECDLO CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289045075 552257456 /nfs/dbraw/zinc/25/74/56/552257456.db2.gz BQRHMSPFALEZBF-UHFFFAOYSA-N 1 2 366.421 2.095 20 10 FECDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296703597 553200453 /nfs/dbraw/zinc/20/04/53/553200453.db2.gz IIEJFWXTALULOT-WMZOPIPTSA-N 1 2 360.479 2.493 20 10 FECDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296703597 553200454 /nfs/dbraw/zinc/20/04/54/553200454.db2.gz IIEJFWXTALULOT-WMZOPIPTSA-N 1 2 360.479 2.493 20 10 FECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297866943 553349945 /nfs/dbraw/zinc/34/99/45/553349945.db2.gz MHYKXRYARJMGHO-UHFFFAOYSA-N 1 2 365.437 2.388 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cncc(OC)n3)CC2)cc1 ZINC000364506803 555325728 /nfs/dbraw/zinc/32/57/28/555325728.db2.gz RSZJXXLXRZHPNE-UHFFFAOYSA-N 1 2 356.426 2.235 20 10 FECDLO CN(C)c1ccc(C2=CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)cc1 ZINC000365596666 555618669 /nfs/dbraw/zinc/61/86/69/555618669.db2.gz PFHAFLCZFMOOJI-UHFFFAOYSA-N 1 2 370.497 2.026 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000365683303 555639889 /nfs/dbraw/zinc/63/98/89/555639889.db2.gz YCUVOBYVDWSFQL-JKDFXYPNSA-N 1 2 352.387 2.077 20 10 FECDLO Cn1c[nH+]c2c1CCN(C(=O)c1cccc3c1C(=O)c1ccccc1C3=O)C2 ZINC000370014582 556758249 /nfs/dbraw/zinc/75/82/49/556758249.db2.gz ZARQJJQIQALYLF-UHFFFAOYSA-N 1 2 371.396 2.394 20 10 FECDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000371043068 557055889 /nfs/dbraw/zinc/05/58/89/557055889.db2.gz LSAGMIQWTMOBNU-UKTKYZJWSA-N 1 2 366.465 2.286 20 10 FECDLO C[C@@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1ccc(F)c(F)c1O ZINC000372619972 557522792 /nfs/dbraw/zinc/52/27/92/557522792.db2.gz OWSOCWQESGTZBV-LLVKDONJSA-N 1 2 362.380 2.416 20 10 FECDLO COc1ccc(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c(O)c1 ZINC000375677192 558066106 /nfs/dbraw/zinc/06/61/06/558066106.db2.gz IEGNLIKUTOOHNW-HNNXBMFYSA-N 1 2 356.426 2.264 20 10 FECDLO COc1c(O)c(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000375716516 558072238 /nfs/dbraw/zinc/07/22/38/558072238.db2.gz CGFMLNWKVYPISS-AEGPPILISA-N 1 2 352.387 2.077 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000375716516 558072239 /nfs/dbraw/zinc/07/22/39/558072239.db2.gz CGFMLNWKVYPISS-AEGPPILISA-N 1 2 352.387 2.077 20 10 FECDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000376020566 558115125 /nfs/dbraw/zinc/11/51/25/558115125.db2.gz GREXCEVUSODMMG-CXAGYDPISA-N 1 2 352.387 2.079 20 10 FECDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000376020566 558115127 /nfs/dbraw/zinc/11/51/27/558115127.db2.gz GREXCEVUSODMMG-CXAGYDPISA-N 1 2 352.387 2.079 20 10 FECDLO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708111239 673064091 /nfs/dbraw/zinc/06/40/91/673064091.db2.gz NRWJDDZNWWDLQT-AMIZOPFISA-N 1 2 350.640 2.438 20 10 FECDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754741241 680374248 /nfs/dbraw/zinc/37/42/48/680374248.db2.gz ZIDLVNGHCCZXOI-HNNXBMFYSA-N 1 2 351.443 2.462 20 10 FECDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754741241 680374255 /nfs/dbraw/zinc/37/42/55/680374255.db2.gz ZIDLVNGHCCZXOI-HNNXBMFYSA-N 1 2 351.443 2.462 20 10 FECDLO CCN(CC)c1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1F ZINC000769481208 680984528 /nfs/dbraw/zinc/98/45/28/680984528.db2.gz STXDKHUFVCTLBO-DEOSSOPVSA-N 1 2 355.523 2.168 20 10 FECDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000853855741 682479996 /nfs/dbraw/zinc/47/99/96/682479996.db2.gz FGBDCBHHJRVTKP-OLZOCXBDSA-N 1 2 358.533 2.034 20 10 FECDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000853855741 682479998 /nfs/dbraw/zinc/47/99/98/682479998.db2.gz FGBDCBHHJRVTKP-OLZOCXBDSA-N 1 2 358.533 2.034 20 10 FECDLO C[C@@H]1C[N@H+](CCNC(=O)NCCCSc2nccs2)[C@H](C)CO1 ZINC000853855740 682480006 /nfs/dbraw/zinc/48/00/06/682480006.db2.gz FGBDCBHHJRVTKP-CHWSQXEVSA-N 1 2 358.533 2.034 20 10 FECDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCSc2nccs2)[C@H](C)CO1 ZINC000853855740 682480009 /nfs/dbraw/zinc/48/00/09/682480009.db2.gz FGBDCBHHJRVTKP-CHWSQXEVSA-N 1 2 358.533 2.034 20 10 FECDLO CN1C(=O)/C(=C\c2ccc(OCC[NH+]3CCOCC3)cc2)SC1=S ZINC000864355770 683842111 /nfs/dbraw/zinc/84/21/11/683842111.db2.gz JUIUOHPADBFQTL-NTCAYCPXSA-N 1 2 364.492 2.229 20 10 FECDLO CC(C)n1ncnc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000865597476 684002311 /nfs/dbraw/zinc/00/23/11/684002311.db2.gz BFXGOIPIXBFJEZ-UHFFFAOYSA-N 1 2 351.401 2.264 20 10 FECDLO O=C(Nc1nncs1)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000877521959 686400544 /nfs/dbraw/zinc/40/05/44/686400544.db2.gz HXDQCLKGMRTXMI-UHFFFAOYSA-N 1 2 354.382 2.373 20 10 FECDLO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883120190 687570887 /nfs/dbraw/zinc/57/08/87/687570887.db2.gz VWELUHUCDXGECR-VIFPVBQESA-N 1 2 366.252 2.208 20 10 FECDLO C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CS1(=O)=O ZINC000883169654 687581288 /nfs/dbraw/zinc/58/12/88/687581288.db2.gz ACJZYWXJFWPXFZ-KWQFWETISA-N 1 2 366.252 2.349 20 10 FECDLO CC(C)(O)CN1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883193002 687585562 /nfs/dbraw/zinc/58/55/62/687585562.db2.gz MKRDRUUSHYLESZ-LBPRGKRZSA-N 1 2 361.255 2.229 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1cc(C)on1)cc2=O ZINC000052530991 540471897 /nfs/dbraw/zinc/47/18/97/540471897.db2.gz SVDFLXVVDYAGFQ-HNNXBMFYSA-N 1 2 371.397 2.245 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1cc(C)on1)cc2=O ZINC000052530991 540471899 /nfs/dbraw/zinc/47/18/99/540471899.db2.gz SVDFLXVVDYAGFQ-HNNXBMFYSA-N 1 2 371.397 2.245 20 10 FECDLO COc1ccc(N2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000056780552 540744580 /nfs/dbraw/zinc/74/45/80/540744580.db2.gz TUJBBCUISRWFMD-UHFFFAOYSA-N 1 2 357.458 2.204 20 10 FECDLO C[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)Cn1cc[nH+]c1 ZINC000081798574 542676723 /nfs/dbraw/zinc/67/67/23/542676723.db2.gz HPSWBCCNZFLXSL-PFWMLDTASA-N 1 2 354.454 2.185 20 10 FECDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000132487581 544233062 /nfs/dbraw/zinc/23/30/62/544233062.db2.gz BZTSUYFOYVDIQV-SECBINFHSA-N 1 2 351.038 2.484 20 10 FECDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000132487581 544233063 /nfs/dbraw/zinc/23/30/63/544233063.db2.gz BZTSUYFOYVDIQV-SECBINFHSA-N 1 2 351.038 2.484 20 10 FECDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000883185952 687583337 /nfs/dbraw/zinc/58/33/37/687583337.db2.gz HSDCYPWJCMVDOJ-NWDGAFQWSA-N 1 2 350.640 2.438 20 10 FECDLO O=C(CN1CC[NH+](Cc2cccc(Cl)c2O)CC1)N1CCCCC1 ZINC000179626294 546987792 /nfs/dbraw/zinc/98/77/92/546987792.db2.gz ZNYUDYJIHXNPJY-UHFFFAOYSA-N 1 2 351.878 2.176 20 10 FECDLO O=C1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)CCN1Cc1ccc(F)cc1 ZINC000191762632 548349956 /nfs/dbraw/zinc/34/99/56/548349956.db2.gz BQYPVQJSIRZAQE-INIZCTEOSA-N 1 2 359.357 2.330 20 10 FECDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000274923764 550564998 /nfs/dbraw/zinc/56/49/98/550564998.db2.gz LVVDVYABQXIQBN-OAHLLOKOSA-N 1 2 370.449 2.291 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000278319745 550772550 /nfs/dbraw/zinc/77/25/50/550772550.db2.gz FZANJXWMFYPZPW-CQSZACIVSA-N 1 2 364.427 2.333 20 10 FECDLO COc1c(O)c(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000278319745 550772552 /nfs/dbraw/zinc/77/25/52/550772552.db2.gz FZANJXWMFYPZPW-CQSZACIVSA-N 1 2 364.427 2.333 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)cc2=O ZINC000285321376 551737544 /nfs/dbraw/zinc/73/75/44/551737544.db2.gz IYNMAWMIVWSYPR-OAHLLOKOSA-N 1 2 370.413 2.062 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@@H]1c1cc[nH]n1)cc2=O ZINC000285321376 551737545 /nfs/dbraw/zinc/73/75/45/551737545.db2.gz IYNMAWMIVWSYPR-OAHLLOKOSA-N 1 2 370.413 2.062 20 10 FECDLO COC(=O)N1CCN(c2ccc(NCc3cc(OC)ccc3O)c[nH+]2)CC1 ZINC000294044099 552877840 /nfs/dbraw/zinc/87/78/40/552877840.db2.gz PBRPDTXSRIOSND-UHFFFAOYSA-N 1 2 372.425 2.296 20 10 FECDLO O=C(NCc1ccccc1O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000299527270 553576025 /nfs/dbraw/zinc/57/60/25/553576025.db2.gz RONXMSPVYDHOHV-UHFFFAOYSA-N 1 2 355.438 2.224 20 10 FECDLO COc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)c1 ZINC000368051377 556204973 /nfs/dbraw/zinc/20/49/73/556204973.db2.gz MHVHANCVIIKLLI-MRXNPFEDSA-N 1 2 367.405 2.085 20 10 FECDLO COc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)c1 ZINC000368051377 556204974 /nfs/dbraw/zinc/20/49/74/556204974.db2.gz MHVHANCVIIKLLI-MRXNPFEDSA-N 1 2 367.405 2.085 20 10 FECDLO O=S1(=O)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000370355427 556849418 /nfs/dbraw/zinc/84/94/18/556849418.db2.gz OESCSAUBVQXRPH-SFHVURJKSA-N 1 2 358.463 2.141 20 10 FECDLO CN1CCc2cc(CNc3[nH+]cnc4c3cnn4-c3ncccn3)ccc21 ZINC000372468401 557478789 /nfs/dbraw/zinc/47/87/89/557478789.db2.gz GPYNLGLUEKXFDD-UHFFFAOYSA-N 1 2 358.409 2.210 20 10 FECDLO COc1ccc(N2CC[NH+](CCC[NH2+]Cc3c[nH]c(C(=O)[O-])c3)CC2)cc1 ZINC000832384279 601831707 /nfs/dbraw/zinc/83/17/07/601831707.db2.gz XDQYJQOOPKZMHG-UHFFFAOYSA-N 1 2 372.469 2.023 20 10 FECDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)Cc1ccccc1S(N)(=O)=O ZINC000816626986 675069521 /nfs/dbraw/zinc/06/95/21/675069521.db2.gz BFJJOSVUDKPUIF-UHFFFAOYSA-N 1 2 358.822 2.464 20 10 FECDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)Cc1ccccc1S(N)(=O)=O ZINC000816626986 675069524 /nfs/dbraw/zinc/06/95/24/675069524.db2.gz BFJJOSVUDKPUIF-UHFFFAOYSA-N 1 2 358.822 2.464 20 10 FECDLO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708196824 673065585 /nfs/dbraw/zinc/06/55/85/673065585.db2.gz LLBIETZOGDBDJH-SECBINFHSA-N 1 2 354.653 2.085 20 10 FECDLO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708138458 673064719 /nfs/dbraw/zinc/06/47/19/673064719.db2.gz NNIGGUOCWYPMHX-JTQLQIEISA-N 1 2 368.680 2.475 20 10 FECDLO Cc1cc(O)c(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840909917 680852306 /nfs/dbraw/zinc/85/23/06/680852306.db2.gz IJLHICMUNYFLFK-UHFFFAOYSA-N 1 2 365.905 2.484 20 10 FECDLO Cc1cc(O)c(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840909917 680852307 /nfs/dbraw/zinc/85/23/07/680852307.db2.gz IJLHICMUNYFLFK-UHFFFAOYSA-N 1 2 365.905 2.484 20 10 FECDLO O=C(NCc1cccc(Br)c1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000765728287 680852774 /nfs/dbraw/zinc/85/27/74/680852774.db2.gz GEIRFILNLWUJOS-JTQLQIEISA-N 1 2 350.216 2.230 20 10 FECDLO O=S1(=O)CCCN1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000840954639 680856796 /nfs/dbraw/zinc/85/67/96/680856796.db2.gz LRESHKVMYUMREH-UHFFFAOYSA-N 1 2 362.854 2.185 20 10 FECDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000834476401 680232713 /nfs/dbraw/zinc/23/27/13/680232713.db2.gz XSQQLVALDCOMOT-GHMZBOCLSA-N 1 2 350.216 2.308 20 10 FECDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448370 680947245 /nfs/dbraw/zinc/94/72/45/680947245.db2.gz UQVFTYUEERCNGK-ZDUSSCGKSA-N 1 2 357.332 2.209 20 10 FECDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448370 680947247 /nfs/dbraw/zinc/94/72/47/680947247.db2.gz UQVFTYUEERCNGK-ZDUSSCGKSA-N 1 2 357.332 2.209 20 10 FECDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCN1CC(F)F ZINC000774904505 681248292 /nfs/dbraw/zinc/24/82/92/681248292.db2.gz SSTHNXLTNNRRPW-GFCCVEGCSA-N 1 2 359.373 2.470 20 10 FECDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCN1CC(F)F ZINC000774904505 681248296 /nfs/dbraw/zinc/24/82/96/681248296.db2.gz SSTHNXLTNNRRPW-GFCCVEGCSA-N 1 2 359.373 2.470 20 10 FECDLO CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000781895478 681986273 /nfs/dbraw/zinc/98/62/73/681986273.db2.gz TXSUSJHJYLZCDN-LBPRGKRZSA-N 1 2 362.289 2.472 20 10 FECDLO CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000781895478 681986270 /nfs/dbraw/zinc/98/62/70/681986270.db2.gz TXSUSJHJYLZCDN-LBPRGKRZSA-N 1 2 362.289 2.472 20 10 FECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)CC1(CC(=O)OC)CC1 ZINC000799307376 683442081 /nfs/dbraw/zinc/44/20/81/683442081.db2.gz IGOWICZYXREGGE-UHFFFAOYSA-N 1 2 355.818 2.364 20 10 FECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)CC1(CC(=O)OC)CC1 ZINC000799307376 683442085 /nfs/dbraw/zinc/44/20/85/683442085.db2.gz IGOWICZYXREGGE-UHFFFAOYSA-N 1 2 355.818 2.364 20 10 FECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1O ZINC000877784858 686457098 /nfs/dbraw/zinc/45/70/98/686457098.db2.gz MNKJTHVGCAKXLO-GJZGRUSLSA-N 1 2 357.834 2.407 20 10 FECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1O ZINC000877784858 686457099 /nfs/dbraw/zinc/45/70/99/686457099.db2.gz MNKJTHVGCAKXLO-GJZGRUSLSA-N 1 2 357.834 2.407 20 10 FECDLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882995498 687542475 /nfs/dbraw/zinc/54/24/75/687542475.db2.gz AOAZUMYXOFYUOY-MRVPVSSYSA-N 1 2 354.241 2.207 20 10 FECDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000883185953 687583293 /nfs/dbraw/zinc/58/32/93/687583293.db2.gz HSDCYPWJCMVDOJ-RYUDHWBXSA-N 1 2 350.640 2.438 20 10 FECDLO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)CCC1 ZINC000897702801 690067255 /nfs/dbraw/zinc/06/72/55/690067255.db2.gz UNXDJARQQKUPLT-SFHVURJKSA-N 1 2 355.381 2.341 20 10 FECDLO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)CCC1 ZINC000897702801 690067259 /nfs/dbraw/zinc/06/72/59/690067259.db2.gz UNXDJARQQKUPLT-SFHVURJKSA-N 1 2 355.381 2.341 20 10 FECDLO CN(C)c1ccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000264661746 549999494 /nfs/dbraw/zinc/99/94/94/549999494.db2.gz TXHGWUQDMLUMGX-UXBLZVDNSA-N 1 2 366.465 2.314 20 10 FECDLO C[C@@H]1CN(c2ccc(CNC(=O)CCc3c[nH+]cn3C)cc2F)C[C@H](C)O1 ZINC000276659693 550582548 /nfs/dbraw/zinc/58/25/48/550582548.db2.gz XYDNKMZAZBAPTC-GASCZTMLSA-N 1 2 374.460 2.422 20 10 FECDLO COc1ccccc1C[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278171152 550757068 /nfs/dbraw/zinc/75/70/68/550757068.db2.gz FVYDSMLOCBYGNV-UHFFFAOYSA-N 1 2 362.382 2.312 20 10 FECDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278171152 550757069 /nfs/dbraw/zinc/75/70/69/550757069.db2.gz FVYDSMLOCBYGNV-UHFFFAOYSA-N 1 2 362.382 2.312 20 10 FECDLO CCN(CC)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1F ZINC000288094548 552090187 /nfs/dbraw/zinc/09/01/87/552090187.db2.gz AIPMBPYRFGWTJT-HNNXBMFYSA-N 1 2 359.405 2.058 20 10 FECDLO CCN(CC)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1F ZINC000288094548 552090188 /nfs/dbraw/zinc/09/01/88/552090188.db2.gz AIPMBPYRFGWTJT-HNNXBMFYSA-N 1 2 359.405 2.058 20 10 FECDLO CCn1cc[nH+]c1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298113260 553385973 /nfs/dbraw/zinc/38/59/73/553385973.db2.gz MZUWDPKXEARYDO-INIZCTEOSA-N 1 2 358.442 2.499 20 10 FECDLO CCn1cc[nH+]c1CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000298538491 553437622 /nfs/dbraw/zinc/43/76/22/553437622.db2.gz VZKGDNTXTLLFQJ-UHFFFAOYSA-N 1 2 361.421 2.083 20 10 FECDLO O=C(NCc1ccccc1O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000299492137 553570999 /nfs/dbraw/zinc/57/09/99/553570999.db2.gz JTUGZUAAIJTKDD-OAHLLOKOSA-N 1 2 361.467 2.326 20 10 FECDLO CCCN(C)S(=O)(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000366248790 555792597 /nfs/dbraw/zinc/79/25/97/555792597.db2.gz UBXUIGFTIFCKQQ-UHFFFAOYSA-N 1 2 355.504 2.182 20 10 FECDLO O=C1NCC[N@@H+](Cc2cccc(F)c2O)[C@@H]1Cc1nc2ccccc2o1 ZINC000368052458 556204421 /nfs/dbraw/zinc/20/44/21/556204421.db2.gz WCQCXZFHLORGBB-OAHLLOKOSA-N 1 2 355.369 2.216 20 10 FECDLO O=C1NCC[N@H+](Cc2cccc(F)c2O)[C@@H]1Cc1nc2ccccc2o1 ZINC000368052458 556204424 /nfs/dbraw/zinc/20/44/24/556204424.db2.gz WCQCXZFHLORGBB-OAHLLOKOSA-N 1 2 355.369 2.216 20 10 FECDLO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)CS(=O)(=O)CC ZINC000093413997 670753238 /nfs/dbraw/zinc/75/32/38/670753238.db2.gz KMHYYOHCXZPEQQ-HNNXBMFYSA-N 1 2 372.506 2.307 20 10 FECDLO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)CS(=O)(=O)CC ZINC000093413997 670753239 /nfs/dbraw/zinc/75/32/39/670753239.db2.gz KMHYYOHCXZPEQQ-HNNXBMFYSA-N 1 2 372.506 2.307 20 10 FECDLO COC(=O)C[N@H+](CCC(=O)NC1CCCC1)Cc1cc(Cl)ccc1O ZINC000109779917 670844612 /nfs/dbraw/zinc/84/46/12/670844612.db2.gz MOMGCOODTCGCOR-UHFFFAOYSA-N 1 2 368.861 2.470 20 10 FECDLO COC(=O)C[N@@H+](CCC(=O)NC1CCCC1)Cc1cc(Cl)ccc1O ZINC000109779917 670844617 /nfs/dbraw/zinc/84/46/17/670844617.db2.gz MOMGCOODTCGCOR-UHFFFAOYSA-N 1 2 368.861 2.470 20 10 FECDLO O[C@@H](COc1ccc(N2CCCCC2)c(Cl)c1)C[NH+]1CCOCC1 ZINC000817571316 675148293 /nfs/dbraw/zinc/14/82/93/675148293.db2.gz PKHRJWJVTGIBMZ-OAHLLOKOSA-N 1 2 354.878 2.402 20 10 FECDLO O[C@H](COc1ccc(N2CCCCC2)c(Cl)c1)C[NH+]1CCOCC1 ZINC000817571314 675148301 /nfs/dbraw/zinc/14/83/01/675148301.db2.gz PKHRJWJVTGIBMZ-HNNXBMFYSA-N 1 2 354.878 2.402 20 10 FECDLO CS(=O)(=O)CCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715819752 673073805 /nfs/dbraw/zinc/07/38/05/673073805.db2.gz ZUYGUHQHQNVJAS-UHFFFAOYSA-N 1 2 354.241 2.208 20 10 FECDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824813651 675622900 /nfs/dbraw/zinc/62/29/00/675622900.db2.gz FRXVPQWDAXUOSK-JTQLQIEISA-N 1 2 350.278 2.410 20 10 FECDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824813651 675622901 /nfs/dbraw/zinc/62/29/01/675622901.db2.gz FRXVPQWDAXUOSK-JTQLQIEISA-N 1 2 350.278 2.410 20 10 FECDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824914336 675628701 /nfs/dbraw/zinc/62/87/01/675628701.db2.gz PSIWMIWTXWWNEE-INIZCTEOSA-N 1 2 370.490 2.061 20 10 FECDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824914336 675628703 /nfs/dbraw/zinc/62/87/03/675628703.db2.gz PSIWMIWTXWWNEE-INIZCTEOSA-N 1 2 370.490 2.061 20 10 FECDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754741242 680374508 /nfs/dbraw/zinc/37/45/08/680374508.db2.gz ZIDLVNGHCCZXOI-OAHLLOKOSA-N 1 2 351.443 2.462 20 10 FECDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754741242 680374512 /nfs/dbraw/zinc/37/45/12/680374512.db2.gz ZIDLVNGHCCZXOI-OAHLLOKOSA-N 1 2 351.443 2.462 20 10 FECDLO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cc(F)cc(F)c1O ZINC000756475385 680480740 /nfs/dbraw/zinc/48/07/40/680480740.db2.gz OXDSTMJSOHZXQL-LBPRGKRZSA-N 1 2 370.421 2.441 20 10 FECDLO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000756768155 680496745 /nfs/dbraw/zinc/49/67/45/680496745.db2.gz AMYBLQYAPZTNEL-JGVFFNPUSA-N 1 2 354.241 2.378 20 10 FECDLO Oc1cc2c(cc1C[NH+]1CCN(CCc3cccs3)CC1)[C@@H](O)CO2 ZINC000768443759 680947014 /nfs/dbraw/zinc/94/70/14/680947014.db2.gz UAGRKNLJDCOTSD-SFHVURJKSA-N 1 2 360.479 2.240 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1OC ZINC000768442420 680947095 /nfs/dbraw/zinc/94/70/95/680947095.db2.gz VNNXRSMYSJJCLT-UHFFFAOYSA-N 1 2 350.459 2.490 20 10 FECDLO COc1c(O)c(C[NH+]2CCN(Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000774853627 681242068 /nfs/dbraw/zinc/24/20/68/681242068.db2.gz PGAZMTQQZJMMQR-UHFFFAOYSA-N 1 2 364.427 2.083 20 10 FECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(Br)ccc1O ZINC000794805912 682997637 /nfs/dbraw/zinc/99/76/37/682997637.db2.gz XLXFYFUGUIBAAM-SNVBAGLBSA-N 1 2 353.220 2.239 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3c(O)cccc3Br)C[C@@H]2C1 ZINC000877788724 686459910 /nfs/dbraw/zinc/45/99/10/686459910.db2.gz GIUPUWOOXXMSIH-WDEREUQCSA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3c(O)cccc3Br)C[C@@H]2C1 ZINC000877788724 686459913 /nfs/dbraw/zinc/45/99/13/686459913.db2.gz GIUPUWOOXXMSIH-WDEREUQCSA-N 1 2 360.273 2.021 20 10 FECDLO CC(C)COC[C@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882917674 687527718 /nfs/dbraw/zinc/52/77/18/687527718.db2.gz SALHWWTTYNZIDK-GFCCVEGCSA-N 1 2 350.228 2.417 20 10 FECDLO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(Br)c1O)C1CC1 ZINC000883146181 687576293 /nfs/dbraw/zinc/57/62/93/687576293.db2.gz DBGQQYAGCCVLBY-UHFFFAOYSA-N 1 2 368.680 2.475 20 10 FECDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000895229442 689680442 /nfs/dbraw/zinc/68/04/42/689680442.db2.gz VOWIPWOVAXHTPK-SNVBAGLBSA-N 1 2 355.211 2.407 20 10 FECDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000895229442 689680444 /nfs/dbraw/zinc/68/04/44/689680444.db2.gz VOWIPWOVAXHTPK-SNVBAGLBSA-N 1 2 355.211 2.407 20 10 FECDLO C/C(=C/C(=O)NCc1cc(Br)ccc1O)C[NH+]1CCOCC1 ZINC000908170294 691629003 /nfs/dbraw/zinc/62/90/03/691629003.db2.gz MXSVIMAAIOJYSF-WQLSENKSSA-N 1 2 369.259 2.049 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1O ZINC000079410469 542516777 /nfs/dbraw/zinc/51/67/77/542516777.db2.gz IVOJZKORLDPJEQ-UHFFFAOYSA-N 1 2 359.401 2.410 20 10 FECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1O ZINC000079410469 542516782 /nfs/dbraw/zinc/51/67/82/542516782.db2.gz IVOJZKORLDPJEQ-UHFFFAOYSA-N 1 2 359.401 2.410 20 10 FECDLO CN(C)c1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000159817742 545982919 /nfs/dbraw/zinc/98/29/19/545982919.db2.gz GFFKRIZLYQLTRQ-UHFFFAOYSA-N 1 2 371.460 2.314 20 10 FECDLO O=S(=O)([C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCCC1 ZINC000191447892 548345341 /nfs/dbraw/zinc/34/53/41/548345341.db2.gz IBXAIGIWMYTLFD-NSHDSACASA-N 1 2 362.854 2.185 20 10 FECDLO O=S(=O)([C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCCC1 ZINC000191447892 548345352 /nfs/dbraw/zinc/34/53/52/548345352.db2.gz IBXAIGIWMYTLFD-NSHDSACASA-N 1 2 362.854 2.185 20 10 FECDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264354270 549994678 /nfs/dbraw/zinc/99/46/78/549994678.db2.gz MWPBTCHSPNOPDG-QGZVFWFLSA-N 1 2 373.545 2.063 20 10 FECDLO CCCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000272524281 550455757 /nfs/dbraw/zinc/45/57/57/550455757.db2.gz LSAGRGFUGPDEOH-XJKSGUPXSA-N 1 2 365.426 2.108 20 10 FECDLO CCCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)c(O)c1 ZINC000272524281 550455759 /nfs/dbraw/zinc/45/57/59/550455759.db2.gz LSAGRGFUGPDEOH-XJKSGUPXSA-N 1 2 365.426 2.108 20 10 FECDLO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1O ZINC000276932145 550612679 /nfs/dbraw/zinc/61/26/79/550612679.db2.gz OMPSEYRCTLKNTJ-YGRLFVJLSA-N 1 2 350.369 2.250 20 10 FECDLO COc1c(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209966 550761105 /nfs/dbraw/zinc/76/11/05/550761105.db2.gz KEGLRJPNAXPUFA-TZMCWYRMSA-N 1 2 372.443 2.097 20 10 FECDLO COc1c(O)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209966 550761106 /nfs/dbraw/zinc/76/11/06/550761106.db2.gz KEGLRJPNAXPUFA-TZMCWYRMSA-N 1 2 372.443 2.097 20 10 FECDLO COc1c(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278265445 550766744 /nfs/dbraw/zinc/76/67/44/550766744.db2.gz QZEZRQYBQSTBBI-MRXNPFEDSA-N 1 2 371.393 2.372 20 10 FECDLO COc1c(O)c(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278265445 550766745 /nfs/dbraw/zinc/76/67/45/550766745.db2.gz QZEZRQYBQSTBBI-MRXNPFEDSA-N 1 2 371.393 2.372 20 10 FECDLO COc1c(O)c(CNc2cccc(CN3CCOCC3)[nH+]2)ccc1[N+](=O)[O-] ZINC000278492186 550792112 /nfs/dbraw/zinc/79/21/12/550792112.db2.gz LOBLTFYPXNLIOT-UHFFFAOYSA-N 1 2 374.397 2.148 20 10 FECDLO C[C@H]1CN(c2ccc(CNC(=O)CCc3[nH]cc[nH+]3)cc2F)C[C@H](C)O1 ZINC000279144295 550858677 /nfs/dbraw/zinc/85/86/77/550858677.db2.gz GOKMRDPCIROIEM-KBPBESRZSA-N 1 2 360.433 2.411 20 10 FECDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000282665198 551257314 /nfs/dbraw/zinc/25/73/14/551257314.db2.gz HBORUVLPQLABNF-CYBMUJFWSA-N 1 2 350.406 2.390 20 10 FECDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000282665198 551257315 /nfs/dbraw/zinc/25/73/15/551257315.db2.gz HBORUVLPQLABNF-CYBMUJFWSA-N 1 2 350.406 2.390 20 10 FECDLO COCC[N@H+](Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000290356512 552466185 /nfs/dbraw/zinc/46/61/85/552466185.db2.gz GMUNCTQAPDVKSD-GFCCVEGCSA-N 1 2 368.282 2.335 20 10 FECDLO COCC[N@@H+](Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000290356512 552466187 /nfs/dbraw/zinc/46/61/87/552466187.db2.gz GMUNCTQAPDVKSD-GFCCVEGCSA-N 1 2 368.282 2.335 20 10 FECDLO CCN(C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1)S(C)(=O)=O ZINC000295062626 552955287 /nfs/dbraw/zinc/95/52/87/552955287.db2.gz ADDORGMLNSKTHM-UHFFFAOYSA-N 1 2 364.870 2.431 20 10 FECDLO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[N@@H+]2C)cn1 ZINC000363176703 555046391 /nfs/dbraw/zinc/04/63/91/555046391.db2.gz LOTXLIACRQQPHR-SCLBCKFNSA-N 1 2 359.430 2.207 20 10 FECDLO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[N@H+]2C)cn1 ZINC000363176703 555046393 /nfs/dbraw/zinc/04/63/93/555046393.db2.gz LOTXLIACRQQPHR-SCLBCKFNSA-N 1 2 359.430 2.207 20 10 FECDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000364106467 555250807 /nfs/dbraw/zinc/25/08/07/555250807.db2.gz DFDJFRMOHJRFNN-LBPRGKRZSA-N 1 2 350.806 2.261 20 10 FECDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)nn1 ZINC000364106467 555250808 /nfs/dbraw/zinc/25/08/08/555250808.db2.gz DFDJFRMOHJRFNN-LBPRGKRZSA-N 1 2 350.806 2.261 20 10 FECDLO O=C(CN1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1)N1CCCC1 ZINC000364583321 555344852 /nfs/dbraw/zinc/34/48/52/555344852.db2.gz VDAWXUROTGZTML-UHFFFAOYSA-N 1 2 369.868 2.361 20 10 FECDLO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc(F)c(F)c1O ZINC000364800938 555406367 /nfs/dbraw/zinc/40/63/67/555406367.db2.gz AZHCZXXWQAZTGV-SCLBCKFNSA-N 1 2 356.413 2.202 20 10 FECDLO Cc1n[nH]c(C2CC[NH+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000365995716 555722007 /nfs/dbraw/zinc/72/20/07/555722007.db2.gz KESINKZKCILGFA-UHFFFAOYSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1nc(C2CC[NH+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000365995716 555722008 /nfs/dbraw/zinc/72/20/08/555722008.db2.gz KESINKZKCILGFA-UHFFFAOYSA-N 1 2 370.501 2.017 20 10 FECDLO Cc1nnc(C2CC[NH+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)[nH]1 ZINC000365995716 555722009 /nfs/dbraw/zinc/72/20/09/555722009.db2.gz KESINKZKCILGFA-UHFFFAOYSA-N 1 2 370.501 2.017 20 10 FECDLO CCC(=O)N1CC[C@@H](C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)C1 ZINC000366437951 555843743 /nfs/dbraw/zinc/84/37/43/555843743.db2.gz MKODVAPUERZXLL-MRXNPFEDSA-N 1 2 373.497 2.381 20 10 FECDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000367861140 556157553 /nfs/dbraw/zinc/15/75/53/556157553.db2.gz YBIHYYIUFMWPTB-CVEARBPZSA-N 1 2 370.453 2.363 20 10 FECDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000367861140 556157555 /nfs/dbraw/zinc/15/75/55/556157555.db2.gz YBIHYYIUFMWPTB-CVEARBPZSA-N 1 2 370.453 2.363 20 10 FECDLO COc1cc(Br)cc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)c1O ZINC000369350179 556576379 /nfs/dbraw/zinc/57/63/79/556576379.db2.gz RMRHOINJPWTEOO-SBKAZYGRSA-N 1 2 362.289 2.364 20 10 FECDLO COc1cc(Br)cc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)c1O ZINC000369350179 556576385 /nfs/dbraw/zinc/57/63/85/556576385.db2.gz RMRHOINJPWTEOO-SBKAZYGRSA-N 1 2 362.289 2.364 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(F)c(F)c1O ZINC000372665037 557532579 /nfs/dbraw/zinc/53/25/79/557532579.db2.gz YPKFHVSUKFWDFK-GBNMTWHSSA-N 1 2 353.369 2.042 20 10 FECDLO COc1ccccc1[C@H](NC(=O)c1cccc(O)c1O)c1[nH+]ccn1C ZINC000375669756 558064741 /nfs/dbraw/zinc/06/47/41/558064741.db2.gz VFXDUGXAANGBIO-INIZCTEOSA-N 1 2 353.378 2.359 20 10 FECDLO CCS(=O)(=O)NC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000809736145 674507760 /nfs/dbraw/zinc/50/77/60/674507760.db2.gz GVIFYPFLTIYPGL-UHFFFAOYSA-N 1 2 350.843 2.088 20 10 FECDLO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715792179 673073816 /nfs/dbraw/zinc/07/38/16/673073816.db2.gz OMOMLZYFKVAOFK-NSHDSACASA-N 1 2 366.252 2.351 20 10 FECDLO COCCC[N@H+](Cc1c(O)cc(C)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000840909222 680851966 /nfs/dbraw/zinc/85/19/66/680851966.db2.gz CQQPNEPUAROEEL-ZDUSSCGKSA-N 1 2 361.891 2.380 20 10 FECDLO COCCC[N@@H+](Cc1c(O)cc(C)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000840909222 680851967 /nfs/dbraw/zinc/85/19/67/680851967.db2.gz CQQPNEPUAROEEL-ZDUSSCGKSA-N 1 2 361.891 2.380 20 10 FECDLO Cc1cc(O)c(CNc2ccn(CC[NH+]3CCOCC3)n2)c(Cl)c1 ZINC000840909383 680851984 /nfs/dbraw/zinc/85/19/84/680851984.db2.gz RHXQCTITSLQPKY-UHFFFAOYSA-N 1 2 350.850 2.495 20 10 FECDLO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840919169 680853226 /nfs/dbraw/zinc/85/32/26/680853226.db2.gz WNLNRWIDOPEWIG-HNNXBMFYSA-N 1 2 365.905 2.483 20 10 FECDLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cccc(Br)c1O ZINC000775150868 681277978 /nfs/dbraw/zinc/27/79/78/681277978.db2.gz CAGQXQNPJKLLKT-UHFFFAOYSA-N 1 2 368.231 2.355 20 10 FECDLO CCN(C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)S(C)(=O)=O ZINC000775690137 681323915 /nfs/dbraw/zinc/32/39/15/681323915.db2.gz CYMJSUWNBZNMMG-UHFFFAOYSA-N 1 2 364.870 2.431 20 10 FECDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C(=O)N1c1cnn(C)c1 ZINC000776224570 681374499 /nfs/dbraw/zinc/37/44/99/681374499.db2.gz UHEVORMSEJEIQE-XPTSAGLGSA-N 1 2 352.797 2.202 20 10 FECDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(Br)ccc1O ZINC000794805908 682997483 /nfs/dbraw/zinc/99/74/83/682997483.db2.gz XLXFYFUGUIBAAM-JTQLQIEISA-N 1 2 353.220 2.239 20 10 FECDLO CO[C@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000880303006 687029940 /nfs/dbraw/zinc/02/99/40/687029940.db2.gz DDDKPAVFBXBBDE-MRXNPFEDSA-N 1 2 359.392 2.022 20 10 FECDLO CO[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000880303006 687029944 /nfs/dbraw/zinc/02/99/44/687029944.db2.gz DDDKPAVFBXBBDE-MRXNPFEDSA-N 1 2 359.392 2.022 20 10 FECDLO OCC[C@@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000883105815 687566835 /nfs/dbraw/zinc/56/68/35/687566835.db2.gz WNZGSDNYPVSOAD-CYBMUJFWSA-N 1 2 350.640 2.439 20 10 FECDLO O=C1O[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CN1C1CC1 ZINC000883162565 687580001 /nfs/dbraw/zinc/58/00/01/687580001.db2.gz XCGHXMUXLHPNTI-LLVKDONJSA-N 1 2 359.195 2.367 20 10 FECDLO O=C(NCc1cccc(Cl)c1O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000893699572 689388396 /nfs/dbraw/zinc/38/83/96/689388396.db2.gz OXMJHZPEUBIANC-JKSUJKDBSA-N 1 2 367.877 2.488 20 10 FECDLO Oc1c(Br)cc(Cl)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000895079306 689655092 /nfs/dbraw/zinc/65/50/92/689655092.db2.gz XGKJXGJUQCMNCQ-GFCCVEGCSA-N 1 2 361.667 2.059 20 10 FECDLO Oc1c(Br)cc(Cl)cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000895079306 689655095 /nfs/dbraw/zinc/65/50/95/689655095.db2.gz XGKJXGJUQCMNCQ-GFCCVEGCSA-N 1 2 361.667 2.059 20 10 FECDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)CC[C@H]2N1 ZINC000895258306 689685984 /nfs/dbraw/zinc/68/59/84/689685984.db2.gz CFSDQMWBQIIXJE-NOZJJQNGSA-N 1 2 357.223 2.394 20 10 FECDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)CC[C@H]2N1 ZINC000895258306 689685987 /nfs/dbraw/zinc/68/59/87/689685987.db2.gz CFSDQMWBQIIXJE-NOZJJQNGSA-N 1 2 357.223 2.394 20 10 FECDLO COc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(O)c1OC ZINC000895873389 689785634 /nfs/dbraw/zinc/78/56/34/689785634.db2.gz SMUKBAWEAPZCPP-HNNXBMFYSA-N 1 2 362.348 2.052 20 10 FECDLO COc1ccc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(O)c1OC ZINC000895873389 689785638 /nfs/dbraw/zinc/78/56/38/689785638.db2.gz SMUKBAWEAPZCPP-HNNXBMFYSA-N 1 2 362.348 2.052 20 10 FECDLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900868507 690577222 /nfs/dbraw/zinc/57/72/22/690577222.db2.gz IOZJEMIGZAIHMR-LBPRGKRZSA-N 1 2 350.369 2.339 20 10 FECDLO C[C@H]([NH2+]CCCc1nnnn1C)c1cc(Br)c(F)cc1O ZINC000903349873 690884183 /nfs/dbraw/zinc/88/41/83/690884183.db2.gz ZNANSFZZNCRLHA-QMMMGPOBSA-N 1 2 358.215 2.101 20 10 FECDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000073721877 541990944 /nfs/dbraw/zinc/99/09/44/541990944.db2.gz KNMAWBDSXFDJBD-FQEVSTJZSA-N 1 2 372.513 2.293 20 10 FECDLO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000276875467 550605813 /nfs/dbraw/zinc/60/58/13/550605813.db2.gz FIMSEMVFHJDTBI-SNVBAGLBSA-N 1 2 356.394 2.429 20 10 FECDLO COc1c(O)c(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000280406458 550990457 /nfs/dbraw/zinc/99/04/57/550990457.db2.gz HOFMQLGSHPNTGP-GFCCVEGCSA-N 1 2 352.387 2.079 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000280406458 550990459 /nfs/dbraw/zinc/99/04/59/550990459.db2.gz HOFMQLGSHPNTGP-GFCCVEGCSA-N 1 2 352.387 2.079 20 10 FECDLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294625852 552921659 /nfs/dbraw/zinc/92/16/59/552921659.db2.gz JLCPHIHVSKUZGA-LBPRGKRZSA-N 1 2 362.854 2.185 20 10 FECDLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294625852 552921660 /nfs/dbraw/zinc/92/16/60/552921660.db2.gz JLCPHIHVSKUZGA-LBPRGKRZSA-N 1 2 362.854 2.185 20 10 FECDLO O=C(C[N@H+]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1)N1CCCC1 ZINC000294978888 552949070 /nfs/dbraw/zinc/94/90/70/552949070.db2.gz SFFNQWLGZFALHQ-UHFFFAOYSA-N 1 2 369.868 2.315 20 10 FECDLO O=C(C[N@@H+]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1)N1CCCC1 ZINC000294978888 552949072 /nfs/dbraw/zinc/94/90/72/552949072.db2.gz SFFNQWLGZFALHQ-UHFFFAOYSA-N 1 2 369.868 2.315 20 10 FECDLO O=C(CN1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1)N1CCCC1 ZINC000294978888 552949073 /nfs/dbraw/zinc/94/90/73/552949073.db2.gz SFFNQWLGZFALHQ-UHFFFAOYSA-N 1 2 369.868 2.315 20 10 FECDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3cc(F)ccc3O)CC2)c1=N ZINC000361906859 554937576 /nfs/dbraw/zinc/93/75/76/554937576.db2.gz JIYVPSPCLLBJQO-UHFFFAOYSA-N 1 2 362.405 2.154 20 10 FECDLO C[C@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc(F)c(F)c1O ZINC000364785024 555402274 /nfs/dbraw/zinc/40/22/74/555402274.db2.gz BEDBYGGHYJLIMR-ZDUSSCGKSA-N 1 2 367.440 2.408 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H](C)C[S@](C)=O)CC2)cc1 ZINC000368358044 556287209 /nfs/dbraw/zinc/28/72/09/556287209.db2.gz QBTAKVWNLWKKRB-PWECECGKSA-N 1 2 367.515 2.072 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1nccs1)cc2=O ZINC000377494729 558351032 /nfs/dbraw/zinc/35/10/32/558351032.db2.gz ISXSFAVOMHPWQE-CYBMUJFWSA-N 1 2 373.438 2.405 20 10 FECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1nccs1)cc2=O ZINC000377494729 558351034 /nfs/dbraw/zinc/35/10/34/558351034.db2.gz ISXSFAVOMHPWQE-CYBMUJFWSA-N 1 2 373.438 2.405 20 10 FECDLO COc1ccc(N2CCCN(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000378097342 558480635 /nfs/dbraw/zinc/48/06/35/558480635.db2.gz UTAXCTIYELMHIJ-HNNXBMFYSA-N 1 2 369.469 2.198 20 10 FECDLO COc1ccc(N2CCCN(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)CC2)cc1 ZINC000378097342 558480637 /nfs/dbraw/zinc/48/06/37/558480637.db2.gz UTAXCTIYELMHIJ-HNNXBMFYSA-N 1 2 369.469 2.198 20 10 FECDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000130184300 672072088 /nfs/dbraw/zinc/07/20/88/672072088.db2.gz YMEOOTNUEYWXPI-ZDUSSCGKSA-N 1 2 368.861 2.279 20 10 FECDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000130184300 672072090 /nfs/dbraw/zinc/07/20/90/672072090.db2.gz YMEOOTNUEYWXPI-ZDUSSCGKSA-N 1 2 368.861 2.279 20 10 FECDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000177817177 672386673 /nfs/dbraw/zinc/38/66/73/672386673.db2.gz GBSOHVVLIAKEBU-UHFFFAOYSA-N 1 2 358.533 2.035 20 10 FECDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000177817177 672386677 /nfs/dbraw/zinc/38/66/77/672386677.db2.gz GBSOHVVLIAKEBU-UHFFFAOYSA-N 1 2 358.533 2.035 20 10 FECDLO COc1cc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000178889997 672396452 /nfs/dbraw/zinc/39/64/52/672396452.db2.gz DYLAIKNXXBNYIT-INIZCTEOSA-N 1 2 350.459 2.035 20 10 FECDLO COc1cc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000178889997 672396455 /nfs/dbraw/zinc/39/64/55/672396455.db2.gz DYLAIKNXXBNYIT-INIZCTEOSA-N 1 2 350.459 2.035 20 10 FECDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1O ZINC000182161029 672439925 /nfs/dbraw/zinc/43/99/25/672439925.db2.gz SXZNEMVFNQFQNV-UHFFFAOYSA-N 1 2 350.396 2.206 20 10 FECDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1O ZINC000182161029 672439931 /nfs/dbraw/zinc/43/99/31/672439931.db2.gz SXZNEMVFNQFQNV-UHFFFAOYSA-N 1 2 350.396 2.206 20 10 FECDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000824982582 675631889 /nfs/dbraw/zinc/63/18/89/675631889.db2.gz IAGMPAGYVDBEEK-MRXNPFEDSA-N 1 2 359.875 2.455 20 10 FECDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000824982582 675631891 /nfs/dbraw/zinc/63/18/91/675631891.db2.gz IAGMPAGYVDBEEK-MRXNPFEDSA-N 1 2 359.875 2.455 20 10 FECDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775692719 681324774 /nfs/dbraw/zinc/32/47/74/681324774.db2.gz OHBFEQPQUJJAHR-UHFFFAOYSA-N 1 2 364.870 2.431 20 10 FECDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847661307 681412672 /nfs/dbraw/zinc/41/26/72/681412672.db2.gz OCRMMTUOSNHYPK-NSHDSACASA-N 1 2 365.817 2.149 20 10 FECDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847661307 681412676 /nfs/dbraw/zinc/41/26/76/681412676.db2.gz OCRMMTUOSNHYPK-NSHDSACASA-N 1 2 365.817 2.149 20 10 FECDLO C[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850540578 681913651 /nfs/dbraw/zinc/91/36/51/681913651.db2.gz NDUALGBCFIFKEZ-LLVKDONJSA-N 1 2 364.446 2.069 20 10 FECDLO CC[N@H+](Cc1cn(C)nn1)Cc1cc(Br)cc(OC)c1O ZINC000781931484 681989855 /nfs/dbraw/zinc/98/98/55/681989855.db2.gz VQKTWSGUPBSHHA-UHFFFAOYSA-N 1 2 355.236 2.314 20 10 FECDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cc(Br)cc(OC)c1O ZINC000781931484 681989858 /nfs/dbraw/zinc/98/98/58/681989858.db2.gz VQKTWSGUPBSHHA-UHFFFAOYSA-N 1 2 355.236 2.314 20 10 FECDLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000789768320 682630044 /nfs/dbraw/zinc/63/00/44/682630044.db2.gz HCVFBCFHIMMLNR-CYBMUJFWSA-N 1 2 362.854 2.185 20 10 FECDLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000789768320 682630047 /nfs/dbraw/zinc/63/00/47/682630047.db2.gz HCVFBCFHIMMLNR-CYBMUJFWSA-N 1 2 362.854 2.185 20 10 FECDLO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)cc(F)c1O ZINC000927137524 683211651 /nfs/dbraw/zinc/21/16/51/683211651.db2.gz XFPYNXVNVPBBRG-AMIZOPFISA-N 1 2 358.211 2.412 20 10 FECDLO COC[C@]1(C)C[N@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000862551758 683600771 /nfs/dbraw/zinc/60/07/71/683600771.db2.gz PGZOPNPPSHJTHF-HNNXBMFYSA-N 1 2 360.248 2.401 20 10 FECDLO COC[C@]1(C)C[N@@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000862551758 683600772 /nfs/dbraw/zinc/60/07/72/683600772.db2.gz PGZOPNPPSHJTHF-HNNXBMFYSA-N 1 2 360.248 2.401 20 10 FECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)C1CCOCC1 ZINC000876716050 686252217 /nfs/dbraw/zinc/25/22/17/686252217.db2.gz VWYIJNVBQJDISC-QGZVFWFLSA-N 1 2 371.861 2.462 20 10 FECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)C1CCOCC1 ZINC000876716050 686252224 /nfs/dbraw/zinc/25/22/24/686252224.db2.gz VWYIJNVBQJDISC-QGZVFWFLSA-N 1 2 371.861 2.462 20 10 FECDLO COc1ccc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)c(OC)c1 ZINC000877708364 686441431 /nfs/dbraw/zinc/44/14/31/686441431.db2.gz JVRIDQAVBVEBRI-UHFFFAOYSA-N 1 2 361.467 2.186 20 10 FECDLO O=S1(=O)C[C@H]2CC[N@@H+](Cc3c(O)cccc3Br)C[C@H]2C1 ZINC000877788720 686460048 /nfs/dbraw/zinc/46/00/48/686460048.db2.gz GIUPUWOOXXMSIH-MNOVXSKESA-N 1 2 360.273 2.021 20 10 FECDLO O=S1(=O)C[C@H]2CC[N@H+](Cc3c(O)cccc3Br)C[C@H]2C1 ZINC000877788720 686460050 /nfs/dbraw/zinc/46/00/50/686460050.db2.gz GIUPUWOOXXMSIH-MNOVXSKESA-N 1 2 360.273 2.021 20 10 FECDLO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883045008 687552290 /nfs/dbraw/zinc/55/22/90/687552290.db2.gz LSSLQHJTCFCEAD-MRVPVSSYSA-N 1 2 354.241 2.207 20 10 FECDLO O=S(=O)(CC[NH2+]Cc1cc(Br)cc(F)c1O)CC1CC1 ZINC000883048436 687553380 /nfs/dbraw/zinc/55/33/80/687553380.db2.gz OLLUPSYKNLUJGJ-UHFFFAOYSA-N 1 2 366.252 2.208 20 10 FECDLO COc1ccc(N2CCC[N@H+](Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000052465067 540467391 /nfs/dbraw/zinc/46/73/91/540467391.db2.gz QYZJWTAQVQUQIU-UHFFFAOYSA-N 1 2 364.453 2.383 20 10 FECDLO COc1ccc(N2CCC[N@@H+](Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000052465067 540467393 /nfs/dbraw/zinc/46/73/93/540467393.db2.gz QYZJWTAQVQUQIU-UHFFFAOYSA-N 1 2 364.453 2.383 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCCC(=O)N(C)C)CC2)cc1 ZINC000081315188 542648079 /nfs/dbraw/zinc/64/80/79/542648079.db2.gz NCBWEONRJSBZAG-UHFFFAOYSA-N 1 2 361.486 2.381 20 10 FECDLO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000104595718 543135493 /nfs/dbraw/zinc/13/54/93/543135493.db2.gz VVDFWHWHZCGYNJ-CVEARBPZSA-N 1 2 356.470 2.328 20 10 FECDLO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1[O-] ZINC000119516924 543668842 /nfs/dbraw/zinc/66/88/42/543668842.db2.gz MQPWOBGHEBLIAE-UHFFFAOYSA-N 1 2 368.865 2.167 20 10 FECDLO O=C(NCc1cc(Br)ccc1O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000805309945 674330291 /nfs/dbraw/zinc/33/02/91/674330291.db2.gz JPKBLSHUFJZFBB-LBPRGKRZSA-N 1 2 365.231 2.165 20 10 FECDLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000161512902 546131661 /nfs/dbraw/zinc/13/16/61/546131661.db2.gz IGIFOSWBNTWRDC-RDJZCZTQSA-N 1 2 355.438 2.359 20 10 FECDLO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000171632815 546215722 /nfs/dbraw/zinc/21/57/22/546215722.db2.gz CMFZTAIYLVBURJ-IAGOWNOFSA-N 1 2 360.502 2.195 20 10 FECDLO COc1cccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)c1O ZINC000269213061 550168238 /nfs/dbraw/zinc/16/82/38/550168238.db2.gz WVKLCLRKAZHMMO-UHFFFAOYSA-N 1 2 356.422 2.163 20 10 FECDLO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000283721280 551415939 /nfs/dbraw/zinc/41/59/39/551415939.db2.gz VMCDOYMZYQGSPH-KRWDZBQOSA-N 1 2 362.518 2.340 20 10 FECDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292788517 552758601 /nfs/dbraw/zinc/75/86/01/552758601.db2.gz MFBIIXPMTWCJOQ-NSHDSACASA-N 1 2 353.271 2.165 20 10 FECDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292788517 552758603 /nfs/dbraw/zinc/75/86/03/552758603.db2.gz MFBIIXPMTWCJOQ-NSHDSACASA-N 1 2 353.271 2.165 20 10 FECDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000367861143 556157433 /nfs/dbraw/zinc/15/74/33/556157433.db2.gz YBIHYYIUFMWPTB-JKSUJKDBSA-N 1 2 370.453 2.363 20 10 FECDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000367861143 556157436 /nfs/dbraw/zinc/15/74/36/556157436.db2.gz YBIHYYIUFMWPTB-JKSUJKDBSA-N 1 2 370.453 2.363 20 10 FECDLO O=C1NCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccs1 ZINC000371332416 557150239 /nfs/dbraw/zinc/15/02/39/557150239.db2.gz PGONZSKGVPUDTN-GOSISDBHSA-N 1 2 357.479 2.258 20 10 FECDLO O=C1NCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccs1 ZINC000371332416 557150242 /nfs/dbraw/zinc/15/02/42/557150242.db2.gz PGONZSKGVPUDTN-GOSISDBHSA-N 1 2 357.479 2.258 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1OC ZINC000371444011 557189273 /nfs/dbraw/zinc/18/92/73/557189273.db2.gz VEYOFGFHLZEDHB-OAHLLOKOSA-N 1 2 361.442 2.333 20 10 FECDLO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1OC ZINC000371444011 557189275 /nfs/dbraw/zinc/18/92/75/557189275.db2.gz VEYOFGFHLZEDHB-OAHLLOKOSA-N 1 2 361.442 2.333 20 10 FECDLO Oc1ccc(Cl)c(F)c1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000377207773 558288501 /nfs/dbraw/zinc/28/85/01/558288501.db2.gz GKUITQVFGIUQHJ-UHFFFAOYSA-N 1 2 354.813 2.326 20 10 FECDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460682338 560749347 /nfs/dbraw/zinc/74/93/47/560749347.db2.gz XWQFWEXAHQQWOD-KRWDZBQOSA-N 1 2 370.497 2.493 20 10 FECDLO O=C(C[NH+]1CCCC1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093046889 670748491 /nfs/dbraw/zinc/74/84/91/670748491.db2.gz ZTSMWQJGWRNSJJ-UHFFFAOYSA-N 1 2 372.296 2.439 20 10 FECDLO C[C@H]([C@H](C)NC(=O)NCCCSc1nccs1)[NH+]1CCOCC1 ZINC000153304836 672196402 /nfs/dbraw/zinc/19/64/02/672196402.db2.gz PFHAEKMDKRZYPZ-QWHCGFSZSA-N 1 2 358.533 2.034 20 10 FECDLO COc1c(O)c(C[NH2+]Cc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000775002536 681266303 /nfs/dbraw/zinc/26/63/03/681266303.db2.gz HODIYYMJBOBLQL-UHFFFAOYSA-N 1 2 360.292 2.358 20 10 FECDLO Cc1cc(Br)cc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000848923532 681643346 /nfs/dbraw/zinc/64/33/46/681643346.db2.gz MMBJQODHHGXLPY-UHFFFAOYSA-N 1 2 354.252 2.494 20 10 FECDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCCSc1nccs1 ZINC000921447430 683471523 /nfs/dbraw/zinc/47/15/23/683471523.db2.gz ILEPANQHDOMNRS-CYBMUJFWSA-N 1 2 358.533 2.035 20 10 FECDLO COc1ccc(N2CC[NH+](CCNc3ncc([N+](=O)[O-])s3)CC2)cc1 ZINC000799932304 683512006 /nfs/dbraw/zinc/51/20/06/683512006.db2.gz NZIKNFOLHCQZBT-UHFFFAOYSA-N 1 2 363.443 2.294 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877793013 686463600 /nfs/dbraw/zinc/46/36/00/686463600.db2.gz LSVHQCLAHSJKFO-YPMHNXCESA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877793013 686463604 /nfs/dbraw/zinc/46/36/04/686463604.db2.gz LSVHQCLAHSJKFO-YPMHNXCESA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000877795011 686465068 /nfs/dbraw/zinc/46/50/68/686465068.db2.gz ZUGJLRHSYABVOU-DGCLKSJQSA-N 1 2 374.300 2.330 20 10 FECDLO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000877795011 686465071 /nfs/dbraw/zinc/46/50/71/686465071.db2.gz ZUGJLRHSYABVOU-DGCLKSJQSA-N 1 2 374.300 2.330 20 10 FECDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000894052653 689456752 /nfs/dbraw/zinc/45/67/52/689456752.db2.gz DJKBCARHGMYKSZ-LBPRGKRZSA-N 1 2 373.266 2.448 20 10 FECDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000894052653 689456755 /nfs/dbraw/zinc/45/67/55/689456755.db2.gz DJKBCARHGMYKSZ-LBPRGKRZSA-N 1 2 373.266 2.448 20 10 FECDLO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895688815 689755543 /nfs/dbraw/zinc/75/55/43/689755543.db2.gz ZVQXYRBKDGONGJ-INIZCTEOSA-N 1 2 371.884 2.071 20 10 FECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000053531974 540541807 /nfs/dbraw/zinc/54/18/07/540541807.db2.gz GVISNRBCSNTAPA-UHFFFAOYSA-N 1 2 362.518 2.395 20 10 FECDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000073721875 541991209 /nfs/dbraw/zinc/99/12/09/541991209.db2.gz KNMAWBDSXFDJBD-HXUWFJFHSA-N 1 2 372.513 2.293 20 10 FECDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCN1CC(F)F ZINC000153407093 544772153 /nfs/dbraw/zinc/77/21/53/544772153.db2.gz RPDYUMSPTOHNDH-MRXNPFEDSA-N 1 2 368.472 2.030 20 10 FECDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCN1CC(F)F ZINC000153407093 544772155 /nfs/dbraw/zinc/77/21/55/544772155.db2.gz RPDYUMSPTOHNDH-MRXNPFEDSA-N 1 2 368.472 2.030 20 10 FECDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O ZINC000276861522 550604221 /nfs/dbraw/zinc/60/42/21/550604221.db2.gz CORLCQSONBLDEU-GHMZBOCLSA-N 1 2 367.348 2.490 20 10 FECDLO COc1c(O)c(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278164063 550756117 /nfs/dbraw/zinc/75/61/17/550756117.db2.gz DWPJRUDQRFIZSZ-SNVBAGLBSA-N 1 2 363.336 2.377 20 10 FECDLO Cc1nc(F)ccc1/C=C1\SC(=S)N(CC[NH+]2CCOCC2)C1=O ZINC000278187119 550758705 /nfs/dbraw/zinc/75/87/05/550758705.db2.gz FTVLGBLGCQNSGX-RAXLEYEMSA-N 1 2 367.471 2.063 20 10 FECDLO CCOCc1nc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)no1 ZINC000291010551 552575656 /nfs/dbraw/zinc/57/56/56/552575656.db2.gz WUUPPEPPEZDYEK-SECBINFHSA-N 1 2 352.347 2.079 20 10 FECDLO COc1cc(Cl)cc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)c1O ZINC000293824054 552859790 /nfs/dbraw/zinc/85/97/90/552859790.db2.gz GBLYUXOWHCOKAX-UHFFFAOYSA-N 1 2 370.858 2.334 20 10 FECDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)c1O ZINC000293824054 552859792 /nfs/dbraw/zinc/85/97/92/552859792.db2.gz GBLYUXOWHCOKAX-UHFFFAOYSA-N 1 2 370.858 2.334 20 10 FECDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294175154 552887903 /nfs/dbraw/zinc/88/79/03/552887903.db2.gz JIGCWTAGQIZIGL-OAHLLOKOSA-N 1 2 357.857 2.217 20 10 FECDLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294175154 552887904 /nfs/dbraw/zinc/88/79/04/552887904.db2.gz JIGCWTAGQIZIGL-OAHLLOKOSA-N 1 2 357.857 2.217 20 10 FECDLO CN(C)c1ccc(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1F ZINC000363665047 555159021 /nfs/dbraw/zinc/15/90/21/555159021.db2.gz GMMIADAXSDKGSK-UHFFFAOYSA-N 1 2 368.416 2.472 20 10 FECDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)CC2)cc1 ZINC000364481945 555321807 /nfs/dbraw/zinc/32/18/07/555321807.db2.gz JUQSJHOHFCJRMJ-ZDUSSCGKSA-N 1 2 359.392 2.274 20 10 FECDLO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)CC2)cc1 ZINC000364481945 555321808 /nfs/dbraw/zinc/32/18/08/555321808.db2.gz JUQSJHOHFCJRMJ-ZDUSSCGKSA-N 1 2 359.392 2.274 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H](C)C[S@](C)=O)CC2)cc1 ZINC000368358045 556287218 /nfs/dbraw/zinc/28/72/18/556287218.db2.gz QBTAKVWNLWKKRB-SXBQZSJRSA-N 1 2 367.515 2.072 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)[C@H]3CCO[C@H]3C)CC2)cc1 ZINC000372622734 557523834 /nfs/dbraw/zinc/52/38/34/557523834.db2.gz WSUWBEIYDGSKAO-KSSFIOAISA-N 1 2 368.499 2.103 20 10 FECDLO COc1ccc([NH+]2CCC(N(C)C(=O)C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000373049715 557617419 /nfs/dbraw/zinc/61/74/19/557617419.db2.gz QEWNIDATZQVYDN-UHFFFAOYSA-N 1 2 373.497 2.381 20 10 FECDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000376239809 558146222 /nfs/dbraw/zinc/14/62/22/558146222.db2.gz LNWFBCNIRCJNLM-HNSSHINMSA-N 1 2 366.465 2.112 20 10 FECDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCSc1nccs1 ZINC000806959551 674397967 /nfs/dbraw/zinc/39/79/67/674397967.db2.gz WXSWNZOPMOEWCA-KBPBESRZSA-N 1 2 370.544 2.130 20 10 FECDLO NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000809728681 674507463 /nfs/dbraw/zinc/50/74/63/674507463.db2.gz FKQZZOZPBXWXPP-GOSISDBHSA-N 1 2 359.857 2.390 20 10 FECDLO O=C(NCCCn1cc[nH+]c1)NCc1ccc(N2CCSCC2)cc1 ZINC000042897481 670170011 /nfs/dbraw/zinc/17/00/11/670170011.db2.gz AIBRPLDYHZFZJI-UHFFFAOYSA-N 1 2 359.499 2.326 20 10 FECDLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708196346 673064856 /nfs/dbraw/zinc/06/48/56/673064856.db2.gz IGFRDURLJXBZJN-ZETCQYMHSA-N 1 2 356.669 2.331 20 10 FECDLO CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1O)S(C)(=O)=O ZINC000715828167 673073770 /nfs/dbraw/zinc/07/37/70/673073770.db2.gz NOIYUAMGRCYUMV-UHFFFAOYSA-N 1 2 354.241 2.207 20 10 FECDLO CC(C)n1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)nn1 ZINC000839145689 680741533 /nfs/dbraw/zinc/74/15/33/680741533.db2.gz SHPNKTROUCUZEC-UHFFFAOYSA-N 1 2 351.401 2.264 20 10 FECDLO O=C(C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)N1CCOCC1 ZINC000775647238 681321206 /nfs/dbraw/zinc/32/12/06/681321206.db2.gz SHFSKGNUZZLZMO-UHFFFAOYSA-N 1 2 356.825 2.256 20 10 FECDLO O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)N1CCOCC1 ZINC000775647866 681321400 /nfs/dbraw/zinc/32/14/00/681321400.db2.gz FVIITUWCZCOTEY-GFCCVEGCSA-N 1 2 356.825 2.256 20 10 FECDLO O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)N1CCOCC1 ZINC000775647866 681321404 /nfs/dbraw/zinc/32/14/04/681321404.db2.gz FVIITUWCZCOTEY-GFCCVEGCSA-N 1 2 356.825 2.256 20 10 FECDLO CN(C)c1ccc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)cc1F ZINC000915371340 685514738 /nfs/dbraw/zinc/51/47/38/685514738.db2.gz ANRUIWPTBZCKMK-UHFFFAOYSA-N 1 2 365.478 2.409 20 10 FECDLO CS(=O)(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1C(F)(F)F ZINC000853530354 682428655 /nfs/dbraw/zinc/42/86/55/682428655.db2.gz IBEHGQFQMQKKQL-UKRRQHHQSA-N 1 2 363.401 2.288 20 10 FECDLO CS(=O)(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1C(F)(F)F ZINC000853530354 682428659 /nfs/dbraw/zinc/42/86/59/682428659.db2.gz IBEHGQFQMQKKQL-UKRRQHHQSA-N 1 2 363.401 2.288 20 10 FECDLO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1F ZINC000862351672 683575719 /nfs/dbraw/zinc/57/57/19/683575719.db2.gz PTLDGNXMHXBNQN-AWEZNQCLSA-N 1 2 373.469 2.031 20 10 FECDLO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1F ZINC000862351672 683575721 /nfs/dbraw/zinc/57/57/21/683575721.db2.gz PTLDGNXMHXBNQN-AWEZNQCLSA-N 1 2 373.469 2.031 20 10 FECDLO CCCn1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)nn1 ZINC000865598067 684002894 /nfs/dbraw/zinc/00/28/94/684002894.db2.gz ODSNYJFEMIJIHK-UHFFFAOYSA-N 1 2 351.401 2.093 20 10 FECDLO CN(C)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000883000369 687543888 /nfs/dbraw/zinc/54/38/88/687543888.db2.gz YYLXMNDJGYJTKL-UHFFFAOYSA-N 1 2 361.255 2.494 20 10 FECDLO OCC1(CO)CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000895472595 689722849 /nfs/dbraw/zinc/72/28/49/689722849.db2.gz DNQBTLWUAOTSNV-UHFFFAOYSA-N 1 2 364.667 2.375 20 10 FECDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000800534398 674060568 /nfs/dbraw/zinc/06/05/68/674060568.db2.gz NHGKEHCZONCVEY-INIZCTEOSA-N 1 2 370.490 2.061 20 10 FECDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000800534398 674060572 /nfs/dbraw/zinc/06/05/72/674060572.db2.gz NHGKEHCZONCVEY-INIZCTEOSA-N 1 2 370.490 2.061 20 10 FECDLO COc1cccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1O ZINC000073623275 541976621 /nfs/dbraw/zinc/97/66/21/541976621.db2.gz QQOSMDVUYRZVSQ-UHFFFAOYSA-N 1 2 356.426 2.395 20 10 FECDLO COc1ccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1O ZINC000080962738 542618626 /nfs/dbraw/zinc/61/86/26/542618626.db2.gz XKPQMNZUWBQMAS-UHFFFAOYSA-N 1 2 357.454 2.215 20 10 FECDLO COc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1O ZINC000080962738 542618628 /nfs/dbraw/zinc/61/86/28/542618628.db2.gz XKPQMNZUWBQMAS-UHFFFAOYSA-N 1 2 357.454 2.215 20 10 FECDLO CC(C)(C)n1cc(C[NH+]2CCN(C(=O)Cc3ccc(N)cc3)CC2)cn1 ZINC000178887816 546867846 /nfs/dbraw/zinc/86/78/46/546867846.db2.gz KKGIUSRTONITPD-UHFFFAOYSA-N 1 2 355.486 2.107 20 10 FECDLO COc1cc(N2CC[NH+]([C@H](C)c3cnccn3)CC2)cc(OC)c1OC ZINC000185449820 547987042 /nfs/dbraw/zinc/98/70/42/547987042.db2.gz KJKFTUJYPWLARD-CQSZACIVSA-N 1 2 358.442 2.386 20 10 FECDLO C[C@@H](C(=O)NCCc1ccc(N)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237509644 548831284 /nfs/dbraw/zinc/83/12/84/548831284.db2.gz VAXYJWYXXXHRIK-INIZCTEOSA-N 1 2 370.472 2.277 20 10 FECDLO Cc1cccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCOCC2)c1 ZINC000237792331 548853351 /nfs/dbraw/zinc/85/33/51/548853351.db2.gz REJZASCHKRMPLJ-FQEVSTJZSA-N 1 2 353.466 2.309 20 10 FECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3nc(N)ns3)CC2)c1O ZINC000268287887 550045107 /nfs/dbraw/zinc/04/51/07/550045107.db2.gz IBBFXQAMKNDYSH-UHFFFAOYSA-N 1 2 367.862 2.004 20 10 FECDLO COc1ccc(O)c(C[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000272741000 550467990 /nfs/dbraw/zinc/46/79/90/550467990.db2.gz AZYPFSUDIUBCSV-CYBMUJFWSA-N 1 2 366.458 2.069 20 10 FECDLO COc1ccc(O)c(C[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000272741000 550467991 /nfs/dbraw/zinc/46/79/91/550467991.db2.gz AZYPFSUDIUBCSV-CYBMUJFWSA-N 1 2 366.458 2.069 20 10 FECDLO Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)c(C)n1-c1ccccn1 ZINC000277574347 550686483 /nfs/dbraw/zinc/68/64/83/550686483.db2.gz AXTXTOICWBXCLA-UHFFFAOYSA-N 1 2 354.454 2.084 20 10 FECDLO Cc1noc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000285732933 551802926 /nfs/dbraw/zinc/80/29/26/551802926.db2.gz QTZZETMTTIRVHX-QGZVFWFLSA-N 1 2 357.458 2.240 20 10 FECDLO Cc1noc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000285732933 551802928 /nfs/dbraw/zinc/80/29/28/551802928.db2.gz QTZZETMTTIRVHX-QGZVFWFLSA-N 1 2 357.458 2.240 20 10 FECDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287460971 552006854 /nfs/dbraw/zinc/00/68/54/552006854.db2.gz OXTVXDSUWJAICX-XLIONFOSSA-N 1 2 370.497 2.067 20 10 FECDLO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000287631491 552027738 /nfs/dbraw/zinc/02/77/38/552027738.db2.gz ZPXNTWIXISNDNQ-YJBOKZPZSA-N 1 2 368.481 2.424 20 10 FECDLO COCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000290661575 552515299 /nfs/dbraw/zinc/51/52/99/552515299.db2.gz ZSASWOPEOQLOBT-LJQANCHMSA-N 1 2 366.527 2.312 20 10 FECDLO COCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000290661575 552515302 /nfs/dbraw/zinc/51/53/02/552515302.db2.gz ZSASWOPEOQLOBT-LJQANCHMSA-N 1 2 366.527 2.312 20 10 FECDLO COc1ccc([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)cc1 ZINC000301193619 553630056 /nfs/dbraw/zinc/63/00/56/553630056.db2.gz SVWCSFAYVBVAJO-UHFFFAOYSA-N 1 2 371.397 2.178 20 10 FECDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1 ZINC000362375138 554966994 /nfs/dbraw/zinc/96/69/94/554966994.db2.gz AVTNZWCQNXHYLR-HXUWFJFHSA-N 1 2 363.465 2.382 20 10 FECDLO CCOCCOCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000363631235 555151001 /nfs/dbraw/zinc/15/10/01/555151001.db2.gz ISIOXYMVLQMBOD-UHFFFAOYSA-N 1 2 350.459 2.176 20 10 FECDLO CC(=O)CSCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000365513537 555595844 /nfs/dbraw/zinc/59/58/44/555595844.db2.gz XZPYFJGHCYNDFK-OAHLLOKOSA-N 1 2 370.902 2.448 20 10 FECDLO CC(=O)CSCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000365513537 555595845 /nfs/dbraw/zinc/59/58/45/555595845.db2.gz XZPYFJGHCYNDFK-OAHLLOKOSA-N 1 2 370.902 2.448 20 10 FECDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000365683305 555640093 /nfs/dbraw/zinc/64/00/93/555640093.db2.gz YCUVOBYVDWSFQL-PRXAMGSTSA-N 1 2 352.387 2.077 20 10 FECDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000367861141 556157509 /nfs/dbraw/zinc/15/75/09/556157509.db2.gz YBIHYYIUFMWPTB-HOTGVXAUSA-N 1 2 370.453 2.363 20 10 FECDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000367861141 556157511 /nfs/dbraw/zinc/15/75/11/556157511.db2.gz YBIHYYIUFMWPTB-HOTGVXAUSA-N 1 2 370.453 2.363 20 10 FECDLO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)c1O ZINC000093384357 670752490 /nfs/dbraw/zinc/75/24/90/670752490.db2.gz SOEUOWANESIAEH-VIFPVBQESA-N 1 2 366.277 2.028 20 10 FECDLO COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)c1O ZINC000093384357 670752501 /nfs/dbraw/zinc/75/25/01/670752501.db2.gz SOEUOWANESIAEH-VIFPVBQESA-N 1 2 366.277 2.028 20 10 FECDLO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCN1S(C)(=O)=O ZINC000181928044 672434898 /nfs/dbraw/zinc/43/48/98/672434898.db2.gz UVZCTZROVVZWIR-INIZCTEOSA-N 1 2 351.516 2.143 20 10 FECDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCN1S(C)(=O)=O ZINC000181928044 672434902 /nfs/dbraw/zinc/43/49/02/672434902.db2.gz UVZCTZROVVZWIR-INIZCTEOSA-N 1 2 351.516 2.143 20 10 FECDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc3nsnc32)c2ccccc2C1 ZINC000194775611 672767863 /nfs/dbraw/zinc/76/78/63/672767863.db2.gz UBDIGEKYUVFWLC-UHFFFAOYSA-N 1 2 360.464 2.332 20 10 FECDLO C[N@H+]1CCN(S(=O)(=O)c2cccc3nsnc32)c2ccccc2C1 ZINC000194775611 672767866 /nfs/dbraw/zinc/76/78/66/672767866.db2.gz UBDIGEKYUVFWLC-UHFFFAOYSA-N 1 2 360.464 2.332 20 10 FECDLO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715792176 673073839 /nfs/dbraw/zinc/07/38/39/673073839.db2.gz OMOMLZYFKVAOFK-LLVKDONJSA-N 1 2 366.252 2.351 20 10 FECDLO CCOc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O ZINC000826894777 675714055 /nfs/dbraw/zinc/71/40/55/675714055.db2.gz WNTDTBDVNFGBPU-AAEUAGOBSA-N 1 2 367.389 2.198 20 10 FECDLO CCOc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O ZINC000826894777 675714056 /nfs/dbraw/zinc/71/40/56/675714056.db2.gz WNTDTBDVNFGBPU-AAEUAGOBSA-N 1 2 367.389 2.198 20 10 FECDLO CNC(=O)C[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000827862932 675784216 /nfs/dbraw/zinc/78/42/16/675784216.db2.gz VNTIRBHXUVIANC-UHFFFAOYSA-N 1 2 366.053 2.095 20 10 FECDLO CNC(=O)C[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000827862932 675784218 /nfs/dbraw/zinc/78/42/18/675784218.db2.gz VNTIRBHXUVIANC-UHFFFAOYSA-N 1 2 366.053 2.095 20 10 FECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)c1 ZINC000840867521 680847867 /nfs/dbraw/zinc/84/78/67/680847867.db2.gz QOISVXLEZITYFJ-LBPRGKRZSA-N 1 2 363.435 2.433 20 10 FECDLO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)cc(F)c1O ZINC000756612001 680488841 /nfs/dbraw/zinc/48/88/41/680488841.db2.gz LGXRPTQSKYDDRR-ISVAXAHUSA-N 1 2 358.211 2.412 20 10 FECDLO Cn1c[nH+]c(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000837650767 680629698 /nfs/dbraw/zinc/62/96/98/680629698.db2.gz AOEDOHKKLYOEOV-UHFFFAOYSA-N 1 2 359.499 2.015 20 10 FECDLO C[C@H]1CN(S(=O)(=O)c2cccc3nonc32)c2cc(F)ccc2C[NH2+]1 ZINC000842482352 680950070 /nfs/dbraw/zinc/95/00/70/680950070.db2.gz QYFAQHQXKNYUKS-JTQLQIEISA-N 1 2 362.386 2.049 20 10 FECDLO CCN(CC)c1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc1F ZINC000770306064 681012547 /nfs/dbraw/zinc/01/25/47/681012547.db2.gz UZIZQPCOKWWCCT-UHFFFAOYSA-N 1 2 364.494 2.428 20 10 FECDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845914260 681161864 /nfs/dbraw/zinc/16/18/64/681161864.db2.gz HQBYDHKXFYOWNP-GFCCVEGCSA-N 1 2 365.817 2.395 20 10 FECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc1OC ZINC000774569579 681205339 /nfs/dbraw/zinc/20/53/39/681205339.db2.gz KIRICVOBXPDXLT-UHFFFAOYSA-N 1 2 351.447 2.035 20 10 FECDLO COc1c(O)c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000774904974 681248433 /nfs/dbraw/zinc/24/84/33/681248433.db2.gz YLIDSOLZXLNIBP-AWEZNQCLSA-N 1 2 364.320 2.444 20 10 FECDLO Cc1cccc(C[NH+]2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1O ZINC000779624710 681731654 /nfs/dbraw/zinc/73/16/54/681731654.db2.gz QYBLDVLZUQEHHI-UHFFFAOYSA-N 1 2 358.463 2.277 20 10 FECDLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000862485539 683594400 /nfs/dbraw/zinc/59/44/00/683594400.db2.gz OUYACDYEKWEKCV-CHWSQXEVSA-N 1 2 350.843 2.135 20 10 FECDLO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000922973921 683813764 /nfs/dbraw/zinc/81/37/64/683813764.db2.gz HLPKQYZMEUGOOD-LBPRGKRZSA-N 1 2 360.639 2.365 20 10 FECDLO COc1cc(O)c(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1OC ZINC000872753044 685012957 /nfs/dbraw/zinc/01/29/57/685012957.db2.gz IPFBCEBXTWTUKE-HNNXBMFYSA-N 1 2 362.348 2.052 20 10 FECDLO COc1cc(O)c(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1OC ZINC000872753044 685012959 /nfs/dbraw/zinc/01/29/59/685012959.db2.gz IPFBCEBXTWTUKE-HNNXBMFYSA-N 1 2 362.348 2.052 20 10 FECDLO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000877735348 686446965 /nfs/dbraw/zinc/44/69/65/686446965.db2.gz SGVFICMDQMETKP-UHFFFAOYSA-N 1 2 372.849 2.425 20 10 FECDLO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C2 ZINC000883162564 687579279 /nfs/dbraw/zinc/57/92/79/687579279.db2.gz XBYFFLAPXOZYFX-SNVBAGLBSA-N 1 2 355.211 2.069 20 10 FECDLO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CS1(=O)=O ZINC000883169652 687581238 /nfs/dbraw/zinc/58/12/38/687581238.db2.gz ACJZYWXJFWPXFZ-GZMMTYOYSA-N 1 2 366.252 2.349 20 10 FECDLO COc1c(O)c(C[N@@H+]2CC[C@@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895578278 689739267 /nfs/dbraw/zinc/73/92/67/689739267.db2.gz YALCVIGAWKZCLH-ZDUSSCGKSA-N 1 2 350.293 2.462 20 10 FECDLO COc1c(O)c(C[N@H+]2CC[C@@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895578278 689739270 /nfs/dbraw/zinc/73/92/70/689739270.db2.gz YALCVIGAWKZCLH-ZDUSSCGKSA-N 1 2 350.293 2.462 20 10 FECDLO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000903236016 690874102 /nfs/dbraw/zinc/87/41/02/690874102.db2.gz XOBJLFAJCHNTTM-RWSFTLGLSA-N 1 2 362.442 2.429 20 10 FECDLO