smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(C(=O)[O-])ccc1O ZINC001593362082 995029978 /nfs/dbraw/zinc/02/99/78/995029978.db2.gz CUUZOWIHGFZIHO-LBPRGKRZSA-N 1 2 342.399 2.068 20 10 EECDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278478723 463966685 /nfs/dbraw/zinc/96/66/85/463966685.db2.gz IZPNLIULTCCSSG-ZWNOBZJWSA-N 1 2 338.360 2.083 20 10 EECDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278478723 463966689 /nfs/dbraw/zinc/96/66/89/463966689.db2.gz IZPNLIULTCCSSG-ZWNOBZJWSA-N 1 2 338.360 2.083 20 10 EECDLO COc1cc(O)c(C[N@H+](C)Cc2ncc(Cl)n2C)cc1OC ZINC000180290947 464281977 /nfs/dbraw/zinc/28/19/77/464281977.db2.gz VXGQXGLMYBXUIS-UHFFFAOYSA-N 1 2 325.796 2.428 20 10 EECDLO COc1cc(O)c(C[N@@H+](C)Cc2ncc(Cl)n2C)cc1OC ZINC000180290947 464281986 /nfs/dbraw/zinc/28/19/86/464281986.db2.gz VXGQXGLMYBXUIS-UHFFFAOYSA-N 1 2 325.796 2.428 20 10 EECDLO CCCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2nc(C)no2)c(O)c1 ZINC000275698662 464784598 /nfs/dbraw/zinc/78/45/98/464784598.db2.gz XLTGDUWEISXPTH-UKRRQHHQSA-N 1 2 333.388 2.180 20 10 EECDLO CCCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2nc(C)no2)c(O)c1 ZINC000275698662 464784603 /nfs/dbraw/zinc/78/46/03/464784603.db2.gz XLTGDUWEISXPTH-UKRRQHHQSA-N 1 2 333.388 2.180 20 10 EECDLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ncn(C)n1 ZINC000275792121 464789855 /nfs/dbraw/zinc/78/98/55/464789855.db2.gz XHEFUYYBVMIURG-STQMWFEESA-N 1 2 333.411 2.203 20 10 EECDLO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000276535520 464971176 /nfs/dbraw/zinc/97/11/76/464971176.db2.gz IDQUPEVGAQCLHS-LBPRGKRZSA-N 1 2 344.386 2.414 20 10 EECDLO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[N@H+]1CCc2ccccc2C1 ZINC000276535520 464971184 /nfs/dbraw/zinc/97/11/84/464971184.db2.gz IDQUPEVGAQCLHS-LBPRGKRZSA-N 1 2 344.386 2.414 20 10 EECDLO COc1ccc(O)c([C@@H](C)NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000728948477 576565569 /nfs/dbraw/zinc/56/55/69/576565569.db2.gz ATWYJEJFKADDGU-CYBMUJFWSA-N 1 2 332.404 2.438 20 10 EECDLO CCc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc[nH+]1 ZINC000733188650 577211752 /nfs/dbraw/zinc/21/17/52/577211752.db2.gz VLNGVHOEBKYPET-HNNXBMFYSA-N 1 2 339.443 2.353 20 10 EECDLO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777453230 577479166 /nfs/dbraw/zinc/47/91/66/577479166.db2.gz OCSQPHVEJAGFIK-INIZCTEOSA-N 1 2 339.443 2.298 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)[C@H]4CSCN4C3=O)CC2)cc1 ZINC000777634565 577483711 /nfs/dbraw/zinc/48/37/11/577483711.db2.gz NYWJLUUQDJNGLR-OAHLLOKOSA-N 1 2 347.440 2.001 20 10 EECDLO O=C(CCCn1cc[nH+]c1)NCc1cccc(Br)c1O ZINC000765729605 577506206 /nfs/dbraw/zinc/50/62/06/577506206.db2.gz QAGBUZZFQKHEDR-UHFFFAOYSA-N 1 2 338.205 2.448 20 10 EECDLO Oc1cc2c(cc1CN1CC[NH+](Cc3ccsc3)CC1)[C@H](O)CO2 ZINC000768442079 577555612 /nfs/dbraw/zinc/55/56/12/577555612.db2.gz OJHYXEAHUOPGID-QGZVFWFLSA-N 1 2 346.452 2.197 20 10 EECDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(S(C)(=O)=O)CC2)c1 ZINC000760395452 577662141 /nfs/dbraw/zinc/66/21/41/577662141.db2.gz GWCFKXFMLCTFOC-UHFFFAOYSA-N 1 2 341.473 2.404 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1O ZINC000756527845 577845874 /nfs/dbraw/zinc/84/58/74/577845874.db2.gz RHFVIASOWTUXHS-VXNVDRBHSA-N 1 2 331.185 2.175 20 10 EECDLO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1O ZINC000756527831 577845891 /nfs/dbraw/zinc/84/58/91/577845891.db2.gz RHFVIASOWTUXHS-APPZFPTMSA-N 1 2 331.185 2.175 20 10 EECDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C(F)F)C3)cc2)CC1 ZINC000877502553 1199950477 /nfs/dbraw/zinc/95/04/77/1199950477.db2.gz MDXSZHWMTIZJHO-MRXNPFEDSA-N 1 2 326.387 2.114 20 10 EECDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@@H](C(F)F)C3)cc2)CC1 ZINC000877502553 1199950479 /nfs/dbraw/zinc/95/04/79/1199950479.db2.gz MDXSZHWMTIZJHO-MRXNPFEDSA-N 1 2 326.387 2.114 20 10 EECDLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883111759 1202014634 /nfs/dbraw/zinc/01/46/34/1202014634.db2.gz PEVRNVXTRPGBGS-RDDDGLTNSA-N 1 2 347.640 2.422 20 10 EECDLO COc1ccc[nH+]c1NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000884693316 1202350254 /nfs/dbraw/zinc/35/02/54/1202350254.db2.gz UWUFIBUDKMXRIV-UHFFFAOYSA-N 1 2 340.427 2.404 20 10 EECDLO CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3c(O)cc(F)cc3F)[C@@H]2C1 ZINC001275306490 1205304293 /nfs/dbraw/zinc/30/42/93/1205304293.db2.gz KASTXQJCIMCRKC-XHDPSFHLSA-N 1 2 339.386 2.295 20 10 EECDLO CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3c(O)cc(F)cc3F)[C@@H]2C1 ZINC001275306490 1205304294 /nfs/dbraw/zinc/30/42/94/1205304294.db2.gz KASTXQJCIMCRKC-XHDPSFHLSA-N 1 2 339.386 2.295 20 10 EECDLO Oc1c(F)ccc(F)c1CN1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001275362415 1205322080 /nfs/dbraw/zinc/32/20/80/1205322080.db2.gz KTMFKKAAXANZTK-UHFFFAOYSA-N 1 2 348.397 2.075 20 10 EECDLO Oc1c(F)ccc(F)c1CN1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001275362415 1205322082 /nfs/dbraw/zinc/32/20/82/1205322082.db2.gz KTMFKKAAXANZTK-UHFFFAOYSA-N 1 2 348.397 2.075 20 10 EECDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1ccc(O)c(O)c1)C2 ZINC001275821015 1205549814 /nfs/dbraw/zinc/54/98/14/1205549814.db2.gz FSZPRUIIMSTKLI-UHFFFAOYSA-N 1 2 331.441 2.323 20 10 EECDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1ccc(O)c(O)c1)C2 ZINC001275821015 1205549815 /nfs/dbraw/zinc/54/98/15/1205549815.db2.gz FSZPRUIIMSTKLI-UHFFFAOYSA-N 1 2 331.441 2.323 20 10 EECDLO Oc1c(Br)cccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827119332 1250140929 /nfs/dbraw/zinc/14/09/29/1250140929.db2.gz KPZRMZWQUXPMCM-CYBMUJFWSA-N 1 2 341.249 2.061 20 10 EECDLO COc1cc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(O)cc1O ZINC001231639452 1303876605 /nfs/dbraw/zinc/87/66/05/1303876605.db2.gz QCRWGZPICXSMRV-UHFFFAOYSA-N 1 2 348.443 2.331 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)nc1 ZINC001232263673 1304057957 /nfs/dbraw/zinc/05/79/57/1304057957.db2.gz COHGPMDRZCSNSD-UHFFFAOYSA-N 1 2 349.818 2.477 20 10 EECDLO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336200 1304435022 /nfs/dbraw/zinc/43/50/22/1304435022.db2.gz CCFISOHHDDXPNH-GFCCVEGCSA-N 1 2 342.386 2.130 20 10 EECDLO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336200 1304435026 /nfs/dbraw/zinc/43/50/26/1304435026.db2.gz CCFISOHHDDXPNH-GFCCVEGCSA-N 1 2 342.386 2.130 20 10 EECDLO Oc1cc(O)c(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1O ZINC001233484984 1304477704 /nfs/dbraw/zinc/47/77/04/1304477704.db2.gz DXXNLRKDHITIOA-UHFFFAOYSA-N 1 2 332.375 2.260 20 10 EECDLO C[C@H](C[NH+](C)C)Oc1cc(O)cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748291 1305018930 /nfs/dbraw/zinc/01/89/30/1305018930.db2.gz IICPKNGMWDZTFH-SECBINFHSA-N 1 2 345.351 2.392 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1OC ZINC001236752741 1305659609 /nfs/dbraw/zinc/65/96/09/1305659609.db2.gz UFOWEXZADWYMNS-UHFFFAOYSA-N 1 2 336.432 2.100 20 10 EECDLO COc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c(O)c1Cl ZINC001236804364 1305681665 /nfs/dbraw/zinc/68/16/65/1305681665.db2.gz YIZAJXKRYGQEAW-UHFFFAOYSA-N 1 2 340.851 2.351 20 10 EECDLO OC[C@H]1C[C@H](F)C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921365 1305728161 /nfs/dbraw/zinc/72/81/61/1305728161.db2.gz DRGGPONYEKJYHN-ZFWWWQNUSA-N 1 2 342.842 2.329 20 10 EECDLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921365 1305728169 /nfs/dbraw/zinc/72/81/69/1305728169.db2.gz DRGGPONYEKJYHN-ZFWWWQNUSA-N 1 2 342.842 2.329 20 10 EECDLO COCCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001122433605 1310285365 /nfs/dbraw/zinc/28/53/65/1310285365.db2.gz REJKQKIGZBIYCT-OAHLLOKOSA-N 1 2 345.447 2.033 20 10 EECDLO COCCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001122433605 1310285372 /nfs/dbraw/zinc/28/53/72/1310285372.db2.gz REJKQKIGZBIYCT-OAHLLOKOSA-N 1 2 345.447 2.033 20 10 EECDLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129271 1314708511 /nfs/dbraw/zinc/70/85/11/1314708511.db2.gz UBUANEUTXFSVCY-WCQYABFASA-N 1 2 345.395 2.438 20 10 EECDLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129271 1314708514 /nfs/dbraw/zinc/70/85/14/1314708514.db2.gz UBUANEUTXFSVCY-WCQYABFASA-N 1 2 345.395 2.438 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001139133186 1314709076 /nfs/dbraw/zinc/70/90/76/1314709076.db2.gz DIBUSOGTSZIWFK-ZDUSSCGKSA-N 1 2 340.383 2.236 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001139133186 1314709080 /nfs/dbraw/zinc/70/90/80/1314709080.db2.gz DIBUSOGTSZIWFK-ZDUSSCGKSA-N 1 2 340.383 2.236 20 10 EECDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140667216 1314926031 /nfs/dbraw/zinc/92/60/31/1314926031.db2.gz LEOLTHOMVRLWDZ-SKDZVZGDSA-N 1 2 348.418 2.188 20 10 EECDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140667216 1314926033 /nfs/dbraw/zinc/92/60/33/1314926033.db2.gz LEOLTHOMVRLWDZ-SKDZVZGDSA-N 1 2 348.418 2.188 20 10 EECDLO C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000841958545 1315644663 /nfs/dbraw/zinc/64/46/63/1315644663.db2.gz GGDWCZYEBSEXOL-WMLDXEAASA-N 1 2 327.432 2.301 20 10 EECDLO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531047 1315652780 /nfs/dbraw/zinc/65/27/80/1315652780.db2.gz ODSLWSOLZTULSW-CYBMUJFWSA-N 1 2 342.386 2.130 20 10 EECDLO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531047 1315652785 /nfs/dbraw/zinc/65/27/85/1315652785.db2.gz ODSLWSOLZTULSW-CYBMUJFWSA-N 1 2 342.386 2.130 20 10 EECDLO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c(O)c1 ZINC001249208123 1317022309 /nfs/dbraw/zinc/02/23/09/1317022309.db2.gz MVUPRTOZDFLTDT-HUBLWGQQSA-N 1 2 345.317 2.012 20 10 EECDLO COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c(O)c1 ZINC001249208123 1317022317 /nfs/dbraw/zinc/02/23/17/1317022317.db2.gz MVUPRTOZDFLTDT-HUBLWGQQSA-N 1 2 345.317 2.012 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001204345533 1322120247 /nfs/dbraw/zinc/12/02/47/1322120247.db2.gz UHOMDQBLHTYGQZ-UHFFFAOYSA-N 1 2 343.379 2.451 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001204345533 1322120254 /nfs/dbraw/zinc/12/02/54/1322120254.db2.gz UHOMDQBLHTYGQZ-UHFFFAOYSA-N 1 2 343.379 2.451 20 10 EECDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319913615 1332796737 /nfs/dbraw/zinc/79/67/37/1332796737.db2.gz RLKDSHWIHOHDDP-ZWKOTPCHSA-N 1 2 332.444 2.439 20 10 EECDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319913615 1332796740 /nfs/dbraw/zinc/79/67/40/1332796740.db2.gz RLKDSHWIHOHDDP-ZWKOTPCHSA-N 1 2 332.444 2.439 20 10 EECDLO Nc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC001335730551 1336419007 /nfs/dbraw/zinc/41/90/07/1336419007.db2.gz MRBCPNJKGXPQHI-UHFFFAOYSA-N 1 2 330.457 2.358 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589961102 1349082561 /nfs/dbraw/zinc/08/25/61/1349082561.db2.gz AGTFJBVHRCDLSQ-ITDIGPHOSA-N 1 2 329.404 2.181 20 10 EECDLO CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465738 1349341903 /nfs/dbraw/zinc/34/19/03/1349341903.db2.gz VOEPGQQXZXITQY-SMDDNHRTSA-N 1 2 329.404 2.325 20 10 EECDLO OC1CCN(c2ccc(C[NH+]3CC(Oc4cccnc4)C3)cc2)CC1 ZINC001140286146 1372556227 /nfs/dbraw/zinc/55/62/27/1372556227.db2.gz KMAXLFPFVUNTBN-UHFFFAOYSA-N 1 2 339.439 2.306 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000846659596 790322473 /nfs/dbraw/zinc/32/24/73/790322473.db2.gz UBDAMJVUAFAYQX-HNNXBMFYSA-N 1 2 342.443 2.049 20 10 EECDLO CCC[N@H+](CC(=O)N(C)C)Cc1c(O)cccc1Br ZINC000707132908 786139179 /nfs/dbraw/zinc/13/91/79/786139179.db2.gz UZAAXEQWPJCEGG-UHFFFAOYSA-N 1 2 329.238 2.455 20 10 EECDLO CCC[N@@H+](CC(=O)N(C)C)Cc1c(O)cccc1Br ZINC000707132908 786139185 /nfs/dbraw/zinc/13/91/85/786139185.db2.gz UZAAXEQWPJCEGG-UHFFFAOYSA-N 1 2 329.238 2.455 20 10 EECDLO COc1ccc(N2CC[C@@H](CNC(=O)CNc3cccc[nH+]3)C2)cc1 ZINC000911276424 787347425 /nfs/dbraw/zinc/34/74/25/787347425.db2.gz MMMGQRSTDPBPBK-HNNXBMFYSA-N 1 2 340.427 2.145 20 10 EECDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824576068 788220441 /nfs/dbraw/zinc/22/04/41/788220441.db2.gz ZEQKGGNWYZYDOK-CYBMUJFWSA-N 1 2 339.233 2.398 20 10 EECDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824576068 788220446 /nfs/dbraw/zinc/22/04/46/788220446.db2.gz ZEQKGGNWYZYDOK-CYBMUJFWSA-N 1 2 339.233 2.398 20 10 EECDLO CO[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOC1 ZINC000715814107 795538152 /nfs/dbraw/zinc/53/81/52/795538152.db2.gz PKWJRLMRHDFCTP-ZDUSSCGKSA-N 1 2 334.185 2.189 20 10 EECDLO Cn1c[nH+]cc1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000806878890 812017230 /nfs/dbraw/zinc/01/72/30/812017230.db2.gz YMWWOXJIAVHILQ-UHFFFAOYSA-N 1 2 325.368 2.490 20 10 EECDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000071831034 203122937 /nfs/dbraw/zinc/12/29/37/203122937.db2.gz XERNJTVTQXMQGG-CYBMUJFWSA-N 1 2 338.415 2.373 20 10 EECDLO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000290156961 464109786 /nfs/dbraw/zinc/10/97/86/464109786.db2.gz CZXSTBPXMQRSBV-NCHVAJSOSA-N 1 2 330.340 2.446 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000272904731 464695100 /nfs/dbraw/zinc/69/51/00/464695100.db2.gz MSFLJNVDVPSIGU-UHFFFAOYSA-N 1 2 338.455 2.428 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000272904731 464695107 /nfs/dbraw/zinc/69/51/07/464695107.db2.gz MSFLJNVDVPSIGU-UHFFFAOYSA-N 1 2 338.455 2.428 20 10 EECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000273435821 464714516 /nfs/dbraw/zinc/71/45/16/464714516.db2.gz XAHKHDIWLKBUSV-GFCCVEGCSA-N 1 2 344.415 2.348 20 10 EECDLO COc1cc(N2CC[NH+](Cc3ccno3)CC2)cc(OC)c1OC ZINC000273576966 464721832 /nfs/dbraw/zinc/72/18/32/464721832.db2.gz GVNGJQAEIDZFFM-UHFFFAOYSA-N 1 2 333.388 2.023 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC)cc1F ZINC000362054378 466516820 /nfs/dbraw/zinc/51/68/20/466516820.db2.gz TUDGMFBVTOFYFJ-QGZVFWFLSA-N 1 2 337.439 2.009 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC)cc1F ZINC000362054378 466516827 /nfs/dbraw/zinc/51/68/27/466516827.db2.gz TUDGMFBVTOFYFJ-QGZVFWFLSA-N 1 2 337.439 2.009 20 10 EECDLO O=C(c1cccs1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000027512430 526837411 /nfs/dbraw/zinc/83/74/11/526837411.db2.gz DOYMEZLMQSYXPU-UHFFFAOYSA-N 1 2 346.408 2.140 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000108928472 528146709 /nfs/dbraw/zinc/14/67/09/528146709.db2.gz FDLLUCGVQAZPFU-OAHLLOKOSA-N 1 2 335.448 2.035 20 10 EECDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775658263 577441988 /nfs/dbraw/zinc/44/19/88/577441988.db2.gz MLHPWNAWGYKJHL-LBPRGKRZSA-N 1 2 327.787 2.174 20 10 EECDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775658263 577441989 /nfs/dbraw/zinc/44/19/89/577441989.db2.gz MLHPWNAWGYKJHL-LBPRGKRZSA-N 1 2 327.787 2.174 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769460532 577578303 /nfs/dbraw/zinc/57/83/03/577578303.db2.gz NKALVJBBDGVMFE-INIZCTEOSA-N 1 2 349.431 2.432 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769460532 577578304 /nfs/dbraw/zinc/57/83/04/577578304.db2.gz NKALVJBBDGVMFE-INIZCTEOSA-N 1 2 349.431 2.432 20 10 EECDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000761207121 577679122 /nfs/dbraw/zinc/67/91/22/577679122.db2.gz YAZSMGWZLWAURO-CYBMUJFWSA-N 1 2 345.823 2.453 20 10 EECDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000761207121 577679123 /nfs/dbraw/zinc/67/91/23/577679123.db2.gz YAZSMGWZLWAURO-CYBMUJFWSA-N 1 2 345.823 2.453 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754727154 577811492 /nfs/dbraw/zinc/81/14/92/577811492.db2.gz QBCVMRBUBBJYBL-OAHLLOKOSA-N 1 2 337.416 2.072 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754727154 577811493 /nfs/dbraw/zinc/81/14/93/577811493.db2.gz QBCVMRBUBBJYBL-OAHLLOKOSA-N 1 2 337.416 2.072 20 10 EECDLO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(Br)c(F)cc1O ZINC000756369953 577842832 /nfs/dbraw/zinc/84/28/32/577842832.db2.gz FKMYPEFSNZSNQY-MRVPVSSYSA-N 1 2 345.212 2.471 20 10 EECDLO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000756396818 577843397 /nfs/dbraw/zinc/84/33/97/577843397.db2.gz KTWUKMVNASCFSG-JSGCOSHPSA-N 1 2 332.356 2.391 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(F)cc(F)c1O ZINC000756865232 577851963 /nfs/dbraw/zinc/85/19/63/577851963.db2.gz PEALKNMSMZGJCB-CMPLNLGQSA-N 1 2 329.343 2.243 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N[C@@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000743656093 577888615 /nfs/dbraw/zinc/88/86/15/577888615.db2.gz YAOAZIAIROEUAD-LSDHHAIUSA-N 1 2 347.459 2.388 20 10 EECDLO COc1cccc(CNC(=O)NCc2cn3cc(C)ccc3[nH+]2)c1O ZINC000745702372 577917297 /nfs/dbraw/zinc/91/72/97/577917297.db2.gz IFKHFNOJWZZLED-UHFFFAOYSA-N 1 2 340.383 2.356 20 10 EECDLO COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c(O)c1OC ZINC000891583442 676705955 /nfs/dbraw/zinc/70/59/55/676705955.db2.gz ZJTUQFMWLUPXFI-UHFFFAOYSA-N 1 2 336.432 2.100 20 10 EECDLO COC(=O)N1CC(C)([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000894540415 682961523 /nfs/dbraw/zinc/96/15/23/682961523.db2.gz HZUMNXMHBHMJKP-UHFFFAOYSA-N 1 2 347.184 2.224 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)c3cnccn3)CC2)c(OC)c1 ZINC000879463483 1201081194 /nfs/dbraw/zinc/08/11/94/1201081194.db2.gz YCRWDAOQCWEMAW-CQSZACIVSA-N 1 2 328.416 2.377 20 10 EECDLO CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1cccc(Cl)c1O ZINC000866439878 1201518334 /nfs/dbraw/zinc/51/83/34/1201518334.db2.gz KJRLKZXAWHZLRU-OUJBWJOFSA-N 1 2 342.823 2.153 20 10 EECDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2c(O)cccc2F)CCC1 ZINC001276354578 1213899967 /nfs/dbraw/zinc/89/99/67/1213899967.db2.gz YEJYIJWAVHGAMR-OKILXGFUSA-N 1 2 348.418 2.276 20 10 EECDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2c(O)cccc2F)CCC1 ZINC001276354578 1213899973 /nfs/dbraw/zinc/89/99/73/1213899973.db2.gz YEJYIJWAVHGAMR-OKILXGFUSA-N 1 2 348.418 2.276 20 10 EECDLO COC(=O)c1ccnc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001235199588 1305146971 /nfs/dbraw/zinc/14/69/71/1305146971.db2.gz REAPJZJQIWTGLV-UHFFFAOYSA-N 1 2 341.411 2.199 20 10 EECDLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194523 1304035515 /nfs/dbraw/zinc/03/55/15/1304035515.db2.gz JDBOAGZANMXYAT-LSDHHAIUSA-N 1 2 342.842 2.329 20 10 EECDLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194523 1304035522 /nfs/dbraw/zinc/03/55/22/1304035522.db2.gz JDBOAGZANMXYAT-LSDHHAIUSA-N 1 2 342.842 2.329 20 10 EECDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)ccn1 ZINC001232766964 1304236721 /nfs/dbraw/zinc/23/67/21/1304236721.db2.gz RJEHVMMAXDBMTQ-UHFFFAOYSA-N 1 2 341.411 2.199 20 10 EECDLO CCOC(=O)c1c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c2ccccc2n1C ZINC001233270303 1304411115 /nfs/dbraw/zinc/41/11/15/1304411115.db2.gz IQEVGAYKXJTAHU-STQMWFEESA-N 1 2 334.391 2.260 20 10 EECDLO CCOC(=O)c1c(C[N@H+]2C[C@@H](F)C[C@H]2CO)c2ccccc2n1C ZINC001233270303 1304411122 /nfs/dbraw/zinc/41/11/22/1304411122.db2.gz IQEVGAYKXJTAHU-STQMWFEESA-N 1 2 334.391 2.260 20 10 EECDLO CC(=O)c1ccc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233485835 1304478763 /nfs/dbraw/zinc/47/87/63/1304478763.db2.gz MUHOKXNJUFDMFM-UHFFFAOYSA-N 1 2 342.395 2.328 20 10 EECDLO COc1ccc(C[N@H+](C)CC(C)=O)c(O)c1I ZINC001248481999 1310910207 /nfs/dbraw/zinc/91/02/07/1310910207.db2.gz NRSVPEHVHVNKAN-UHFFFAOYSA-N 1 2 349.168 2.026 20 10 EECDLO COc1ccc(C[N@@H+](C)CC(C)=O)c(O)c1I ZINC001248481999 1310910211 /nfs/dbraw/zinc/91/02/11/1310910211.db2.gz NRSVPEHVHVNKAN-UHFFFAOYSA-N 1 2 349.168 2.026 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001139129059 1314708590 /nfs/dbraw/zinc/70/85/90/1314708590.db2.gz MQECBXCQMPWENP-CQSZACIVSA-N 1 2 328.412 2.477 20 10 EECDLO COc1cccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)c1O ZINC000840257198 1315337343 /nfs/dbraw/zinc/33/73/43/1315337343.db2.gz YEVALSKBUGEYNJ-GXTWGEPZSA-N 1 2 344.415 2.010 20 10 EECDLO COc1cccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)c1O ZINC000840257198 1315337348 /nfs/dbraw/zinc/33/73/48/1315337348.db2.gz YEVALSKBUGEYNJ-GXTWGEPZSA-N 1 2 344.415 2.010 20 10 EECDLO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960967 1349081657 /nfs/dbraw/zinc/08/16/57/1349081657.db2.gz LNAAJMMBBWVNJA-GFCCVEGCSA-N 1 2 330.436 2.097 20 10 EECDLO CC[C@@H]([NH2+]CC1(CCOC)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590462695 1349339196 /nfs/dbraw/zinc/33/91/96/1349339196.db2.gz FDJXCACLQIISIV-CQSZACIVSA-N 1 2 331.420 2.430 20 10 EECDLO CC[C@H]([NH2+]CCC1CC(OC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590466645 1349341986 /nfs/dbraw/zinc/34/19/86/1349341986.db2.gz LCLNLFXCCXWBSP-QOZQQMKHSA-N 1 2 331.420 2.428 20 10 EECDLO COc1ccccc1CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591648137 1349524138 /nfs/dbraw/zinc/52/41/38/1349524138.db2.gz ALSVJZQONBYHIS-GFCCVEGCSA-N 1 2 339.399 2.474 20 10 EECDLO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603463361 1350709232 /nfs/dbraw/zinc/70/92/32/1350709232.db2.gz INILEBWIUGMIFZ-SUNKGSAMSA-N 1 2 343.387 2.328 20 10 EECDLO COc1ccc(N2CC[C@H](CNC(=O)CCc3c[nH+]cn3C)C2)cc1 ZINC000819589505 785597833 /nfs/dbraw/zinc/59/78/33/785597833.db2.gz RWWVXFBAVQIPBP-OAHLLOKOSA-N 1 2 342.443 2.004 20 10 EECDLO CNC(=O)CC[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708140957 786753252 /nfs/dbraw/zinc/75/32/52/786753252.db2.gz PRBXSRMAEZZSSL-UHFFFAOYSA-N 1 2 335.629 2.376 20 10 EECDLO CNC(=O)CC[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708140957 786753255 /nfs/dbraw/zinc/75/32/55/786753255.db2.gz PRBXSRMAEZZSSL-UHFFFAOYSA-N 1 2 335.629 2.376 20 10 EECDLO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708157353 786753818 /nfs/dbraw/zinc/75/38/18/786753818.db2.gz MRJIHGQGJYHIIV-SSDOTTSWSA-N 1 2 335.629 2.422 20 10 EECDLO COc1cc(C[N@H+](C)CCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000164279965 789128199 /nfs/dbraw/zinc/12/81/99/789128199.db2.gz UZFWXKGCYFUOIK-UHFFFAOYSA-N 1 2 329.462 2.175 20 10 EECDLO COc1cc(C[N@@H+](C)CCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000164279965 789128208 /nfs/dbraw/zinc/12/82/08/789128208.db2.gz UZFWXKGCYFUOIK-UHFFFAOYSA-N 1 2 329.462 2.175 20 10 EECDLO Cc1[nH+]c[nH]c1CSCCNC(=O)C=Cc1ccc(O)c(O)c1 ZINC001179689098 800038238 /nfs/dbraw/zinc/03/82/38/800038238.db2.gz DOZDBVUMUXRTLU-HWKANZROSA-N 1 2 333.413 2.192 20 10 EECDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001113703655 809586287 /nfs/dbraw/zinc/58/62/87/809586287.db2.gz GQZNSDOUWAQBNA-UHFFFAOYSA-N 1 2 347.419 2.032 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000291288818 464150096 /nfs/dbraw/zinc/15/00/96/464150096.db2.gz ODMGBRIHOPPVCH-UHFFFAOYSA-N 1 2 327.432 2.455 20 10 EECDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cccc(O)c1O ZINC000274907105 464758688 /nfs/dbraw/zinc/75/86/88/464758688.db2.gz RUYIPDHPRMZMLS-UHFFFAOYSA-N 1 2 327.384 2.413 20 10 EECDLO OC1(c2ccc(F)cc2)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000365676459 534342186 /nfs/dbraw/zinc/34/21/86/534342186.db2.gz NRTJUAMQQSZJIH-UHFFFAOYSA-N 1 2 342.414 2.366 20 10 EECDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C(=O)N1c1cnn(C)c1 ZINC000776224752 577454992 /nfs/dbraw/zinc/45/49/92/577454992.db2.gz VQGILCAKKMMZAN-YGRLFVJLSA-N 1 2 334.807 2.063 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)[C@@H]4CSCN4C3=O)CC2)cc1 ZINC000777634564 577483692 /nfs/dbraw/zinc/48/36/92/577483692.db2.gz NYWJLUUQDJNGLR-HNNXBMFYSA-N 1 2 347.440 2.001 20 10 EECDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000768228508 577552427 /nfs/dbraw/zinc/55/24/27/577552427.db2.gz ZURSGBPZHUDJQP-UHFFFAOYSA-N 1 2 333.432 2.124 20 10 EECDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000768852153 577564191 /nfs/dbraw/zinc/56/41/91/577564191.db2.gz GMEBLPTUSASTQK-UHFFFAOYSA-N 1 2 342.395 2.064 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc([N+](=O)[O-])ccc1O ZINC000756457798 577844502 /nfs/dbraw/zinc/84/45/02/577844502.db2.gz LMDYLHGJGKTTJU-XHDPSFHLSA-N 1 2 346.387 2.217 20 10 EECDLO Cc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)nc2)c(O)c1O ZINC000750338262 577990659 /nfs/dbraw/zinc/99/06/59/577990659.db2.gz WDCAROPWCKZLFL-UHFFFAOYSA-N 1 2 325.324 2.344 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)NCCC(C)(C)C)CC2)cc1 ZINC000051230497 676683234 /nfs/dbraw/zinc/68/32/34/676683234.db2.gz MLESISULOMONOM-UHFFFAOYSA-N 1 2 333.476 2.370 20 10 EECDLO CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(N)cc1 ZINC000863558395 1197807517 /nfs/dbraw/zinc/80/75/17/1197807517.db2.gz GRSDAGZNSSWCHX-UHFFFAOYSA-N 1 2 344.484 2.111 20 10 EECDLO O=C1N(CC(F)F)CC[C@]12CCC[N@H+]2Cc1c(O)cccc1F ZINC001273266325 1197891199 /nfs/dbraw/zinc/89/11/99/1197891199.db2.gz WUORTQVWWMQBFG-MRXNPFEDSA-N 1 2 328.334 2.363 20 10 EECDLO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+]2Cc1c(O)cccc1F ZINC001273266325 1197891208 /nfs/dbraw/zinc/89/12/08/1197891208.db2.gz WUORTQVWWMQBFG-MRXNPFEDSA-N 1 2 328.334 2.363 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000864926676 1198002602 /nfs/dbraw/zinc/00/26/02/1198002602.db2.gz LAEPJGBRMORAQH-WAYWQWQTSA-N 1 2 331.460 2.037 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000874892074 1199062234 /nfs/dbraw/zinc/06/22/34/1199062234.db2.gz ZKQPQYAPPCYMQA-HNNXBMFYSA-N 1 2 330.359 2.332 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000883158510 1202022948 /nfs/dbraw/zinc/02/29/48/1202022948.db2.gz IEUQBLQYCWHRNZ-AWEZNQCLSA-N 1 2 348.212 2.315 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1O ZINC000158031190 1208387704 /nfs/dbraw/zinc/38/77/04/1208387704.db2.gz FKBDTSFYCCMXPF-ZDUSSCGKSA-N 1 2 339.233 2.270 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1O ZINC000158031190 1208387707 /nfs/dbraw/zinc/38/77/07/1208387707.db2.gz FKBDTSFYCCMXPF-ZDUSSCGKSA-N 1 2 339.233 2.270 20 10 EECDLO CC[C@H](F)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061117 1230272939 /nfs/dbraw/zinc/27/29/39/1230272939.db2.gz PKFZCYIYIPPMLR-JSGCOSHPSA-N 1 2 335.383 2.401 20 10 EECDLO CC[C@H](F)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061117 1230272941 /nfs/dbraw/zinc/27/29/41/1230272941.db2.gz PKFZCYIYIPPMLR-JSGCOSHPSA-N 1 2 335.383 2.401 20 10 EECDLO Cc1ccc(O)c(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000862025241 1295659646 /nfs/dbraw/zinc/65/96/46/1295659646.db2.gz PYQBJAHBJHZREP-UHFFFAOYSA-N 1 2 327.384 2.276 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000862336675 1295797760 /nfs/dbraw/zinc/79/77/60/1295797760.db2.gz IWRIRFMDLBGETA-QWRGUYRKSA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000862336675 1295797772 /nfs/dbraw/zinc/79/77/72/1295797772.db2.gz IWRIRFMDLBGETA-QWRGUYRKSA-N 1 2 330.222 2.390 20 10 EECDLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000179557844 1296507961 /nfs/dbraw/zinc/50/79/61/1296507961.db2.gz ZGGXOMUTERKLNP-UHFFFAOYSA-N 1 2 346.452 2.207 20 10 EECDLO Oc1ccc(-c2nc(-c3cccnc3)no2)cc1C[NH+]1CCOCC1 ZINC001217056642 1297353864 /nfs/dbraw/zinc/35/38/64/1297353864.db2.gz NOLWWVAQHXAFEX-UHFFFAOYSA-N 1 2 338.367 2.336 20 10 EECDLO C[C@H](C[NH+](C)C)Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228518887 1302300245 /nfs/dbraw/zinc/30/02/45/1302300245.db2.gz KFPXSKMGAYLUIE-SNVBAGLBSA-N 1 2 347.367 2.069 20 10 EECDLO COc1cnc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)nc1 ZINC001231913487 1303945294 /nfs/dbraw/zinc/94/52/94/1303945294.db2.gz KJHOXRVELLNTBP-LBPRGKRZSA-N 1 2 335.791 2.498 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203107 1304038024 /nfs/dbraw/zinc/03/80/24/1304038024.db2.gz PDCZRJMBUZOACH-UHFFFAOYSA-N 1 2 338.835 2.172 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)CCCO1 ZINC001237086429 1305790743 /nfs/dbraw/zinc/79/07/43/1305790743.db2.gz LMZWQGPTIOQWDC-GFCCVEGCSA-N 1 2 334.199 2.463 20 10 EECDLO CN1CC[C@@H]([N@H+](C)Cc2cccc(I)c2O)C1 ZINC001237781210 1306087908 /nfs/dbraw/zinc/08/79/08/1306087908.db2.gz UKZODHCCUIDVPY-LLVKDONJSA-N 1 2 346.212 2.133 20 10 EECDLO CN1CC[C@@H]([N@@H+](C)Cc2cccc(I)c2O)C1 ZINC001237781210 1306087921 /nfs/dbraw/zinc/08/79/21/1306087921.db2.gz UKZODHCCUIDVPY-LLVKDONJSA-N 1 2 346.212 2.133 20 10 EECDLO CN(Cc1cccc(I)c1O)[C@@H]1CC[N@H+](C)C1 ZINC001237781210 1306087931 /nfs/dbraw/zinc/08/79/31/1306087931.db2.gz UKZODHCCUIDVPY-LLVKDONJSA-N 1 2 346.212 2.133 20 10 EECDLO CN(Cc1cccc(I)c1O)[C@@H]1CC[N@@H+](C)C1 ZINC001237781210 1306087938 /nfs/dbraw/zinc/08/79/38/1306087938.db2.gz UKZODHCCUIDVPY-LLVKDONJSA-N 1 2 346.212 2.133 20 10 EECDLO c1nc(CN2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n[nH]1 ZINC001119516261 1309095983 /nfs/dbraw/zinc/09/59/83/1309095983.db2.gz SOZWSUITSWTCLF-UHFFFAOYSA-N 1 2 340.475 2.113 20 10 EECDLO c1nnc(CN2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)[nH]1 ZINC001119516261 1309095991 /nfs/dbraw/zinc/09/59/91/1309095991.db2.gz SOZWSUITSWTCLF-UHFFFAOYSA-N 1 2 340.475 2.113 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccn2)cc1 ZINC000831025296 1314569650 /nfs/dbraw/zinc/56/96/50/1314569650.db2.gz WQRPVOUEMIWMCS-UHFFFAOYSA-N 1 2 326.444 2.238 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccccn2)cc1 ZINC000831025296 1314569654 /nfs/dbraw/zinc/56/96/54/1314569654.db2.gz WQRPVOUEMIWMCS-UHFFFAOYSA-N 1 2 326.444 2.238 20 10 EECDLO COC[C@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCC[NH2+]1 ZINC000841066706 1315466003 /nfs/dbraw/zinc/46/60/03/1315466003.db2.gz FJQYJQDOWZVKFX-CQSZACIVSA-N 1 2 329.238 2.013 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2CC ZINC001203878073 1321981484 /nfs/dbraw/zinc/98/14/84/1321981484.db2.gz PKTNUNDOONAPDU-AWEZNQCLSA-N 1 2 331.416 2.450 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2CC ZINC001203878073 1321981485 /nfs/dbraw/zinc/98/14/85/1321981485.db2.gz PKTNUNDOONAPDU-AWEZNQCLSA-N 1 2 331.416 2.450 20 10 EECDLO COc1cc(Cl)cc(CN2CCC[C@@]3(C2)C[N@H+](C)CCO3)c1O ZINC001276449134 1322083896 /nfs/dbraw/zinc/08/38/96/1322083896.db2.gz YEKDGZHFGOGOIK-KRWDZBQOSA-N 1 2 340.851 2.351 20 10 EECDLO COc1cc(Cl)cc(CN2CCC[C@@]3(C2)C[N@@H+](C)CCO3)c1O ZINC001276449134 1322083904 /nfs/dbraw/zinc/08/39/04/1322083904.db2.gz YEKDGZHFGOGOIK-KRWDZBQOSA-N 1 2 340.851 2.351 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589964775 1349083515 /nfs/dbraw/zinc/08/35/15/1349083515.db2.gz SNTFBDYPGDFPGD-NEPJUHHUSA-N 1 2 337.383 2.399 20 10 EECDLO CC[C@H]([NH2+]CC1(O)CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590466948 1349341242 /nfs/dbraw/zinc/34/12/42/1349341242.db2.gz MTIQVEKDIAPQDF-AWEZNQCLSA-N 1 2 331.420 2.308 20 10 EECDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829092751 1372268494 /nfs/dbraw/zinc/26/84/94/1372268494.db2.gz NDOJAJUWZSPZMU-RTBURBONSA-N 1 2 346.471 2.484 20 10 EECDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829092751 1372268497 /nfs/dbraw/zinc/26/84/97/1372268497.db2.gz NDOJAJUWZSPZMU-RTBURBONSA-N 1 2 346.471 2.484 20 10 EECDLO OC[C@@H]1CN(Cc2c(O)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001137832002 1372279565 /nfs/dbraw/zinc/27/95/65/1372279565.db2.gz WOVFAKQYLGAWNX-INIZCTEOSA-N 1 2 330.403 2.210 20 10 EECDLO OC[C@@H]1CN(Cc2c(O)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC001137832002 1372279575 /nfs/dbraw/zinc/27/95/75/1372279575.db2.gz WOVFAKQYLGAWNX-INIZCTEOSA-N 1 2 330.403 2.210 20 10 EECDLO OC[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCN1Cc1ccccc1 ZINC001137832002 1372279578 /nfs/dbraw/zinc/27/95/78/1372279578.db2.gz WOVFAKQYLGAWNX-INIZCTEOSA-N 1 2 330.403 2.210 20 10 EECDLO OC[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCN1Cc1ccccc1 ZINC001137832002 1372279586 /nfs/dbraw/zinc/27/95/86/1372279586.db2.gz WOVFAKQYLGAWNX-INIZCTEOSA-N 1 2 330.403 2.210 20 10 EECDLO CCOC(=O)C[N@H+](CCC(=O)NC1CCCC1)Cc1ccccc1O ZINC000823581032 787807650 /nfs/dbraw/zinc/80/76/50/787807650.db2.gz CXRQWBSCACAQPH-UHFFFAOYSA-N 1 2 348.443 2.206 20 10 EECDLO CCOC(=O)C[N@@H+](CCC(=O)NC1CCCC1)Cc1ccccc1O ZINC000823581032 787807661 /nfs/dbraw/zinc/80/76/61/787807661.db2.gz CXRQWBSCACAQPH-UHFFFAOYSA-N 1 2 348.443 2.206 20 10 EECDLO CC(C)c1nnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000824603523 788239068 /nfs/dbraw/zinc/23/90/68/788239068.db2.gz SJULILHCAZKXQI-UHFFFAOYSA-N 1 2 333.411 2.194 20 10 EECDLO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000808426383 812620825 /nfs/dbraw/zinc/62/08/25/812620825.db2.gz CKOBSGBNUUJAPC-JTQLQIEISA-N 1 2 348.262 2.069 20 10 EECDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000080612753 463337051 /nfs/dbraw/zinc/33/70/51/463337051.db2.gz RZAFRCVYKQAOCZ-ZDUSSCGKSA-N 1 2 328.416 2.355 20 10 EECDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278511957 463967747 /nfs/dbraw/zinc/96/77/47/463967747.db2.gz APQILBAAFMNZKB-HNNXBMFYSA-N 1 2 329.400 2.174 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000279785786 464147049 /nfs/dbraw/zinc/14/70/49/464147049.db2.gz NZFODGVFXSHLMX-KRWDZBQOSA-N 1 2 333.476 2.116 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000279785786 464147057 /nfs/dbraw/zinc/14/70/57/464147057.db2.gz NZFODGVFXSHLMX-KRWDZBQOSA-N 1 2 333.476 2.116 20 10 EECDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1 ZINC000179594437 464162403 /nfs/dbraw/zinc/16/24/03/464162403.db2.gz NTYXDIRPLTYLKE-UHFFFAOYSA-N 1 2 332.425 2.420 20 10 EECDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179677906 464172002 /nfs/dbraw/zinc/17/20/02/464172002.db2.gz NGDVANHTGJSELU-UHFFFAOYSA-N 1 2 346.880 2.339 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000270702180 464264161 /nfs/dbraw/zinc/26/41/61/464264161.db2.gz YAEQAYJVQPFCCB-UHFFFAOYSA-N 1 2 345.487 2.356 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOCC23CCCC3)cc1 ZINC000270702180 464264166 /nfs/dbraw/zinc/26/41/66/464264166.db2.gz YAEQAYJVQPFCCB-UHFFFAOYSA-N 1 2 345.487 2.356 20 10 EECDLO COc1cccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000271207632 464289938 /nfs/dbraw/zinc/28/99/38/464289938.db2.gz SIXONPDXCGAPKB-UHFFFAOYSA-N 1 2 335.425 2.436 20 10 EECDLO COc1cccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000271207632 464289944 /nfs/dbraw/zinc/28/99/44/464289944.db2.gz SIXONPDXCGAPKB-UHFFFAOYSA-N 1 2 335.425 2.436 20 10 EECDLO COc1cc(N2CC[NH+](Cc3conc3C)CC2)cc(OC)c1OC ZINC000293531868 464410937 /nfs/dbraw/zinc/41/09/37/464410937.db2.gz DZHLOUSUTLIRRA-UHFFFAOYSA-N 1 2 347.415 2.331 20 10 EECDLO COc1cc[nH+]cc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000294270561 464450766 /nfs/dbraw/zinc/45/07/66/464450766.db2.gz PDGOEIIRQNJBGU-UHFFFAOYSA-N 1 2 332.379 2.295 20 10 EECDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1c(F)ccc(O)c1O ZINC000294755393 464596886 /nfs/dbraw/zinc/59/68/86/464596886.db2.gz AUZBJASYCSDZMQ-UHFFFAOYSA-N 1 2 347.268 2.268 20 10 EECDLO Nc1c(NCCCSc2nccs2)[nH+]cnc1-n1cccn1 ZINC000301793493 466032495 /nfs/dbraw/zinc/03/24/95/466032495.db2.gz PHCAVUQEVWXQKB-UHFFFAOYSA-N 1 2 333.446 2.295 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)/C=C\c3cnn(C)c3)CC2)cc1 ZINC000726560534 576274264 /nfs/dbraw/zinc/27/42/64/576274264.db2.gz BAEVEJIVIHQPRX-BAQGIRSFSA-N 1 2 340.427 2.227 20 10 EECDLO COc1ccc(N2CC[NH+](CCNC(=O)C3(F)CCCC3)CC2)cc1 ZINC000771968010 577242030 /nfs/dbraw/zinc/24/20/30/577242030.db2.gz UMXDRVRMYUFDBQ-UHFFFAOYSA-N 1 2 349.450 2.216 20 10 EECDLO O=C(NCCCSc1nccs1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000733972526 577268775 /nfs/dbraw/zinc/26/87/75/577268775.db2.gz IDTZHQGSRJJQCH-UHFFFAOYSA-N 1 2 346.441 2.031 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NO[C@H]3CCCCO3)CC2)cc1 ZINC000776131785 577452690 /nfs/dbraw/zinc/45/26/90/577452690.db2.gz LQWVSNCNQDIHSF-KRWDZBQOSA-N 1 2 349.431 2.421 20 10 EECDLO O=C(NCCO)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000768317140 577553646 /nfs/dbraw/zinc/55/36/46/577553646.db2.gz GNNQNDHRTUOACA-UHFFFAOYSA-N 1 2 347.242 2.020 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)CC[S@]1=O ZINC000763493856 577721984 /nfs/dbraw/zinc/72/19/84/577721984.db2.gz SFFORFITQOLGTA-MLCYQJTMSA-N 1 2 332.263 2.498 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)CC[S@]1=O ZINC000763493856 577721985 /nfs/dbraw/zinc/72/19/85/577721985.db2.gz SFFORFITQOLGTA-MLCYQJTMSA-N 1 2 332.263 2.498 20 10 EECDLO COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000756181260 577839860 /nfs/dbraw/zinc/83/98/60/577839860.db2.gz WAAGHMVGKHFFCA-NSHDSACASA-N 1 2 343.383 2.229 20 10 EECDLO O=C1N=NCN1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000894609184 682988240 /nfs/dbraw/zinc/98/82/40/682988240.db2.gz VMNVDPJASUCREZ-UHFFFAOYSA-N 1 2 326.759 2.319 20 10 EECDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000783739588 1187138244 /nfs/dbraw/zinc/13/82/44/1187138244.db2.gz BFDAWAVVYKEDNL-IBGZPJMESA-N 1 2 349.450 2.153 20 10 EECDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000783739588 1187138248 /nfs/dbraw/zinc/13/82/48/1187138248.db2.gz BFDAWAVVYKEDNL-IBGZPJMESA-N 1 2 349.450 2.153 20 10 EECDLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879464050 1201081160 /nfs/dbraw/zinc/08/11/60/1201081160.db2.gz ZRSMZQMWKABQAA-CABCVRRESA-N 1 2 349.475 2.129 20 10 EECDLO C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1O ZINC000868436181 1201812081 /nfs/dbraw/zinc/81/20/81/1201812081.db2.gz KAIPYZSZQSIDKA-ZIAGYGMSSA-N 1 2 326.400 2.426 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275772797 1205520099 /nfs/dbraw/zinc/52/00/99/1205520099.db2.gz DHMNWSMMHAOIQX-HOTGVXAUSA-N 1 2 334.370 2.242 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275772797 1205520100 /nfs/dbraw/zinc/52/01/00/1205520100.db2.gz DHMNWSMMHAOIQX-HOTGVXAUSA-N 1 2 334.370 2.242 20 10 EECDLO Oc1cc(F)c(F)cc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1 ZINC001275772797 1205520101 /nfs/dbraw/zinc/52/01/01/1205520101.db2.gz DHMNWSMMHAOIQX-HOTGVXAUSA-N 1 2 334.370 2.242 20 10 EECDLO Oc1cc(F)c(F)cc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cn[nH]c1 ZINC001275772797 1205520102 /nfs/dbraw/zinc/52/01/02/1205520102.db2.gz DHMNWSMMHAOIQX-HOTGVXAUSA-N 1 2 334.370 2.242 20 10 EECDLO COc1cnc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)nc1 ZINC001231913486 1303945557 /nfs/dbraw/zinc/94/55/57/1303945557.db2.gz KJHOXRVELLNTBP-GFCCVEGCSA-N 1 2 335.791 2.498 20 10 EECDLO COc1cc(O)c(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)cc1Cl ZINC001232271550 1304061508 /nfs/dbraw/zinc/06/15/08/1304061508.db2.gz WKBZUJOURDCEFD-ZDUSSCGKSA-N 1 2 337.807 2.018 20 10 EECDLO COc1cc(O)c(C[N@H+]2Cc3ccnn3CC[C@H]2CO)cc1Cl ZINC001232271550 1304061513 /nfs/dbraw/zinc/06/15/13/1304061513.db2.gz WKBZUJOURDCEFD-ZDUSSCGKSA-N 1 2 337.807 2.018 20 10 EECDLO Oc1c(CN2CC[NH+]([C@H]3CCOC3)CC2)cccc1OC(F)(F)F ZINC001233726731 1304569146 /nfs/dbraw/zinc/56/91/46/1304569146.db2.gz GYUGADQBUVXHFN-ZDUSSCGKSA-N 1 2 346.349 2.197 20 10 EECDLO CCS(=O)(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235678703 1305325089 /nfs/dbraw/zinc/32/50/89/1305325089.db2.gz LKDDOJZCUXPPQB-UHFFFAOYSA-N 1 2 340.489 2.157 20 10 EECDLO COc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c(O)c1Cl ZINC001236805663 1305682944 /nfs/dbraw/zinc/68/29/44/1305682944.db2.gz DOIZIMCBLHEIAS-UHFFFAOYSA-N 1 2 326.780 2.129 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129270 1314708215 /nfs/dbraw/zinc/70/82/15/1314708215.db2.gz UBUANEUTXFSVCY-DGCLKSJQSA-N 1 2 345.395 2.438 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129270 1314708217 /nfs/dbraw/zinc/70/82/17/1314708217.db2.gz UBUANEUTXFSVCY-DGCLKSJQSA-N 1 2 345.395 2.438 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001139127611 1314708557 /nfs/dbraw/zinc/70/85/57/1314708557.db2.gz ZBGPLYQRKOGJFD-GOSISDBHSA-N 1 2 335.375 2.494 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001139127611 1314708558 /nfs/dbraw/zinc/70/85/58/1314708558.db2.gz ZBGPLYQRKOGJFD-GOSISDBHSA-N 1 2 335.375 2.494 20 10 EECDLO CC1(C)C=Cc2c(O)c(CN3CC[NH+]([C@H]4CCOC4)CC3)ccc2O1 ZINC001249223651 1317028166 /nfs/dbraw/zinc/02/81/66/1317028166.db2.gz LKNWUKYCZCFEKW-INIZCTEOSA-N 1 2 344.455 2.483 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001276470333 1322163077 /nfs/dbraw/zinc/16/30/77/1322163077.db2.gz MHHKUNAOZIOOBS-RDJZCZTQSA-N 1 2 349.381 2.084 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001276470333 1322163084 /nfs/dbraw/zinc/16/30/84/1322163084.db2.gz MHHKUNAOZIOOBS-RDJZCZTQSA-N 1 2 349.381 2.084 20 10 EECDLO Oc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)cc1Cl ZINC001276617103 1324809665 /nfs/dbraw/zinc/80/96/65/1324809665.db2.gz NXQLPYCHRKRJBD-GJZGRUSLSA-N 1 2 348.834 2.323 20 10 EECDLO Oc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cn[nH]c2)cc1Cl ZINC001276617103 1324809671 /nfs/dbraw/zinc/80/96/71/1324809671.db2.gz NXQLPYCHRKRJBD-GJZGRUSLSA-N 1 2 348.834 2.323 20 10 EECDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)cc1 ZINC001323033189 1333372635 /nfs/dbraw/zinc/37/26/35/1333372635.db2.gz LGSQMDOPZYNMFZ-MRXNPFEDSA-N 1 2 333.476 2.368 20 10 EECDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC001324717286 1333745236 /nfs/dbraw/zinc/74/52/36/1333745236.db2.gz ZOIIELRRFGSQSN-MRXNPFEDSA-N 1 2 328.324 2.242 20 10 EECDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC001324717286 1333745239 /nfs/dbraw/zinc/74/52/39/1333745239.db2.gz ZOIIELRRFGSQSN-MRXNPFEDSA-N 1 2 328.324 2.242 20 10 EECDLO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589963382 1349083203 /nfs/dbraw/zinc/08/32/03/1349083203.db2.gz WRZNNNSXGRDLRS-NSHDSACASA-N 1 2 347.419 2.345 20 10 EECDLO CC[C@@H]([NH2+]CCCOCC1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055695 1350841850 /nfs/dbraw/zinc/84/18/50/1350841850.db2.gz NXYSIKJSRHGLBO-OAHLLOKOSA-N 1 2 331.420 2.430 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ncco1 ZINC000926874823 1369855286 /nfs/dbraw/zinc/85/52/86/1369855286.db2.gz WEDBVHFBLYHEIO-CYBMUJFWSA-N 1 2 328.416 2.227 20 10 EECDLO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129427 1372463570 /nfs/dbraw/zinc/46/35/70/1372463570.db2.gz ZKANFHVXAJGSCX-LBPRGKRZSA-N 1 2 331.368 2.192 20 10 EECDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129427 1372463576 /nfs/dbraw/zinc/46/35/76/1372463576.db2.gz ZKANFHVXAJGSCX-LBPRGKRZSA-N 1 2 331.368 2.192 20 10 EECDLO COCC1CCC([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001591392596 1403909458 /nfs/dbraw/zinc/90/94/58/1403909458.db2.gz PDNYKPNNTGBUHG-PNESKVBLSA-N 1 2 331.420 2.428 20 10 EECDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCNC1=O ZINC000894093215 780514180 /nfs/dbraw/zinc/51/41/80/780514180.db2.gz BWEYHTYGNLVDOX-SNVBAGLBSA-N 1 2 333.613 2.128 20 10 EECDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCNC1=O ZINC000894093215 780514185 /nfs/dbraw/zinc/51/41/85/780514185.db2.gz BWEYHTYGNLVDOX-SNVBAGLBSA-N 1 2 333.613 2.128 20 10 EECDLO Oc1c(Br)cc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000708087386 786738212 /nfs/dbraw/zinc/73/82/12/786738212.db2.gz BHKPSCYPGMPFIZ-NXEZZACHSA-N 1 2 331.641 2.459 20 10 EECDLO COC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708192363 786764374 /nfs/dbraw/zinc/76/43/74/786764374.db2.gz PKMODUDPYIFLPV-GFCCVEGCSA-N 1 2 338.629 2.295 20 10 EECDLO C[NH+]1CCN(c2ccc(CNc3ccc(C(=O)[O-])c[nH+]3)cc2)CC1 ZINC000900990680 980258525 /nfs/dbraw/zinc/25/85/25/980258525.db2.gz KTCWWAYCZHVOEQ-UHFFFAOYSA-N 1 2 326.400 2.144 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)cc1F ZINC000084867025 237005367 /nfs/dbraw/zinc/00/53/67/237005367.db2.gz WHDMABQHHCUHHZ-OAHLLOKOSA-N 1 2 349.450 2.215 20 10 EECDLO Cn1cc[nH+]c1[C@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C ZINC000296246471 465128918 /nfs/dbraw/zinc/12/89/18/465128918.db2.gz OSMZYDXSZZOOEJ-BIENSFFJSA-N 1 2 327.384 2.454 20 10 EECDLO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000161143904 463404111 /nfs/dbraw/zinc/40/41/11/463404111.db2.gz GMBGCMPPSDUNTK-UHFFFAOYSA-N 1 2 326.444 2.286 20 10 EECDLO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000161143904 463404116 /nfs/dbraw/zinc/40/41/16/463404116.db2.gz GMBGCMPPSDUNTK-UHFFFAOYSA-N 1 2 326.444 2.286 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)cc1F ZINC000179711502 464176353 /nfs/dbraw/zinc/17/63/53/464176353.db2.gz FGKHARHMHMZXRH-MRXNPFEDSA-N 1 2 337.439 2.009 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)cc1F ZINC000179711502 464176359 /nfs/dbraw/zinc/17/63/59/464176359.db2.gz FGKHARHMHMZXRH-MRXNPFEDSA-N 1 2 337.439 2.009 20 10 EECDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180870620 464411540 /nfs/dbraw/zinc/41/15/40/464411540.db2.gz PXKBOFYTCHBGHR-KEDPEKRHSA-N 1 2 341.411 2.326 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000372751773 466572130 /nfs/dbraw/zinc/57/21/30/466572130.db2.gz QHVSDNMORPLVKH-XEGUGMAKSA-N 1 2 336.819 2.334 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000372751773 466572137 /nfs/dbraw/zinc/57/21/37/466572137.db2.gz QHVSDNMORPLVKH-XEGUGMAKSA-N 1 2 336.819 2.334 20 10 EECDLO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nnnn3C3CC3)CC2)cc1 ZINC000191954524 534003574 /nfs/dbraw/zinc/00/35/74/534003574.db2.gz NOJFDRZPXNRVFK-CQSZACIVSA-N 1 2 342.447 2.290 20 10 EECDLO COc1ccc(N2CCC[N@H+]([C@H](C)c3nnnn3C3CC3)CC2)cc1 ZINC000191954524 534003585 /nfs/dbraw/zinc/00/35/85/534003585.db2.gz NOJFDRZPXNRVFK-CQSZACIVSA-N 1 2 342.447 2.290 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NC[C@@H](O)CC(C)C)CC2)cc1 ZINC000726714605 576291111 /nfs/dbraw/zinc/29/11/11/576291111.db2.gz ZGBALJXXRDPAGL-KRWDZBQOSA-N 1 2 349.475 2.370 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895780513 684726202 /nfs/dbraw/zinc/72/62/02/684726202.db2.gz LCGVAXWEVVBJPB-YDEJPDAXSA-N 1 2 330.197 2.497 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895780513 684726203 /nfs/dbraw/zinc/72/62/03/684726203.db2.gz LCGVAXWEVVBJPB-YDEJPDAXSA-N 1 2 330.197 2.497 20 10 EECDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001269918078 1184718777 /nfs/dbraw/zinc/71/87/77/1184718777.db2.gz SXNXGXFDZWLQMP-IBGZPJMESA-N 1 2 345.443 2.364 20 10 EECDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001269918078 1184718784 /nfs/dbraw/zinc/71/87/84/1184718784.db2.gz SXNXGXFDZWLQMP-IBGZPJMESA-N 1 2 345.443 2.364 20 10 EECDLO COC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000794839168 1198211988 /nfs/dbraw/zinc/21/19/88/1198211988.db2.gz YZUUXWOVQOUNOR-VXNVDRBHSA-N 1 2 338.629 2.466 20 10 EECDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000875507836 1199276064 /nfs/dbraw/zinc/27/60/64/1199276064.db2.gz LJVLTUIHSZWUBC-WBVHZDCISA-N 1 2 348.491 2.224 20 10 EECDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000875507836 1199276070 /nfs/dbraw/zinc/27/60/70/1199276070.db2.gz LJVLTUIHSZWUBC-WBVHZDCISA-N 1 2 348.491 2.224 20 10 EECDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1 ZINC000876529728 1199658713 /nfs/dbraw/zinc/65/87/13/1199658713.db2.gz GDFFEHFCPCHKLU-UHFFFAOYSA-N 1 2 346.452 2.207 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3c(C)cnn3C)CC2)c(OC)c1 ZINC000877708574 1200046908 /nfs/dbraw/zinc/04/69/08/1200046908.db2.gz PFUBRRNXMQXIKA-UHFFFAOYSA-N 1 2 330.432 2.068 20 10 EECDLO CCc1ccc(C[NH+]2CC3(C2)CN(C2CCCC2)C(=O)CO3)c(O)c1 ZINC001274652651 1205116332 /nfs/dbraw/zinc/11/63/32/1205116332.db2.gz BQULWECMJBURBF-UHFFFAOYSA-N 1 2 344.455 2.310 20 10 EECDLO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001276838258 1299852071 /nfs/dbraw/zinc/85/20/71/1299852071.db2.gz ZPCJVYFBEDYBQQ-UHFFFAOYSA-N 1 2 341.814 2.420 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCc3nc(C(N)=O)ccc3C2)c(Cl)c1 ZINC001277550362 1303892173 /nfs/dbraw/zinc/89/21/73/1303892173.db2.gz AWJTWBFKRAJYKH-UHFFFAOYSA-N 1 2 344.846 2.458 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCc3nc(C(N)=O)ccc3C2)c(Cl)c1 ZINC001277550362 1303892180 /nfs/dbraw/zinc/89/21/80/1303892180.db2.gz AWJTWBFKRAJYKH-UHFFFAOYSA-N 1 2 344.846 2.458 20 10 EECDLO CC1=NC2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)C(=O)N1C ZINC001237801178 1306098875 /nfs/dbraw/zinc/09/88/75/1306098875.db2.gz DZZSASLZVBBMBD-UHFFFAOYSA-N 1 2 339.798 2.410 20 10 EECDLO CCN1C[C@@H](C)[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1=O ZINC001141078460 1315038563 /nfs/dbraw/zinc/03/85/63/1315038563.db2.gz WRBPGUWQAKNLJY-OAHLLOKOSA-N 1 2 327.472 2.438 20 10 EECDLO CCN1C[C@@H](C)[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1=O ZINC001141078460 1315038567 /nfs/dbraw/zinc/03/85/67/1315038567.db2.gz WRBPGUWQAKNLJY-OAHLLOKOSA-N 1 2 327.472 2.438 20 10 EECDLO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c(O)c1 ZINC001249208124 1317022483 /nfs/dbraw/zinc/02/24/83/1317022483.db2.gz MVUPRTOZDFLTDT-SLEUVZQESA-N 1 2 345.317 2.012 20 10 EECDLO COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c(O)c1 ZINC001249208124 1317022490 /nfs/dbraw/zinc/02/24/90/1317022490.db2.gz MVUPRTOZDFLTDT-SLEUVZQESA-N 1 2 345.317 2.012 20 10 EECDLO CN(C)c1ccc(CN(C)c2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC001156923999 1318292213 /nfs/dbraw/zinc/29/22/13/1318292213.db2.gz KIGOCQPFSZNHPM-UHFFFAOYSA-N 1 2 327.432 2.016 20 10 EECDLO CN(C)c1ccc(CN(C)c2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC001156923999 1318292220 /nfs/dbraw/zinc/29/22/20/1318292220.db2.gz KIGOCQPFSZNHPM-UHFFFAOYSA-N 1 2 327.432 2.016 20 10 EECDLO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc(-c2nn[nH]n2)c1O ZINC001589958268 1349079292 /nfs/dbraw/zinc/07/92/92/1349079292.db2.gz VKLRIMTVDVHXLB-HZMBPMFUSA-N 1 2 339.403 2.034 20 10 EECDLO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590446353 1349328512 /nfs/dbraw/zinc/32/85/12/1349328512.db2.gz ARZLMMRDSMQCIL-DGCLKSJQSA-N 1 2 331.420 2.428 20 10 EECDLO CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)[C@H]1CCCOC1 ZINC001590462986 1349338090 /nfs/dbraw/zinc/33/80/90/1349338090.db2.gz WKNZPILNIUYCJK-HUBLWGQQSA-N 1 2 331.420 2.428 20 10 EECDLO CC[C@H]([NH2+]CC1(CCOC)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590462693 1349338514 /nfs/dbraw/zinc/33/85/14/1349338514.db2.gz FDJXCACLQIISIV-AWEZNQCLSA-N 1 2 331.420 2.430 20 10 EECDLO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590465014 1349340644 /nfs/dbraw/zinc/34/06/44/1349340644.db2.gz GYVDMTBPXPFZIY-XFBWCDHKSA-N 1 2 342.447 2.096 20 10 EECDLO CC[C@H]([NH2+]CCc1nccs1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465422 1349342059 /nfs/dbraw/zinc/34/20/59/1349342059.db2.gz FFJDKPFGBBATMZ-LBPRGKRZSA-N 1 2 330.417 2.312 20 10 EECDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816493501 784057633 /nfs/dbraw/zinc/05/76/33/784057633.db2.gz DRZCEKWAXRCQOV-LLVKDONJSA-N 1 2 327.787 2.174 20 10 EECDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816493501 784057641 /nfs/dbraw/zinc/05/76/41/784057641.db2.gz DRZCEKWAXRCQOV-LLVKDONJSA-N 1 2 327.787 2.174 20 10 EECDLO COC(=O)C1(C)C[NH+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000822534654 787239224 /nfs/dbraw/zinc/23/92/24/787239224.db2.gz RWCYZTVNUHWOBV-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO OCC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000715734974 795490675 /nfs/dbraw/zinc/49/06/75/795490675.db2.gz BFJWFVMPLPHMNX-UHFFFAOYSA-N 1 2 348.212 2.173 20 10 EECDLO COCC1(O)C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000297570996 465261571 /nfs/dbraw/zinc/26/15/71/465261571.db2.gz RGYNSPUFCRWHKV-UHFFFAOYSA-N 1 2 329.396 2.164 20 10 EECDLO CCOC(=O)N1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079406972 463211405 /nfs/dbraw/zinc/21/14/05/463211405.db2.gz LYTXSNQABHTPJW-UHFFFAOYSA-N 1 2 338.379 2.398 20 10 EECDLO CCOC(=O)N1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079406972 463211411 /nfs/dbraw/zinc/21/14/11/463211411.db2.gz LYTXSNQABHTPJW-UHFFFAOYSA-N 1 2 338.379 2.398 20 10 EECDLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(O)c1O ZINC000177667235 463761811 /nfs/dbraw/zinc/76/18/11/463761811.db2.gz ALMKZUIPBZUNRJ-UHFFFAOYSA-N 1 2 327.384 2.331 20 10 EECDLO COc1cccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1O ZINC000277421779 463915536 /nfs/dbraw/zinc/91/55/36/463915536.db2.gz LHCMKJGLUHNMBJ-AWEZNQCLSA-N 1 2 344.415 2.154 20 10 EECDLO COc1cccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1O ZINC000277421779 463915541 /nfs/dbraw/zinc/91/55/41/463915541.db2.gz LHCMKJGLUHNMBJ-AWEZNQCLSA-N 1 2 344.415 2.154 20 10 EECDLO COc1c(O)c(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000278522394 463969371 /nfs/dbraw/zinc/96/93/71/463969371.db2.gz SGRJFQXJTSUBEY-VIFPVBQESA-N 1 2 335.364 2.401 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000179581374 464160682 /nfs/dbraw/zinc/16/06/82/464160682.db2.gz KVAHIAYPANMEFB-LBPRGKRZSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000179581374 464160687 /nfs/dbraw/zinc/16/06/87/464160687.db2.gz KVAHIAYPANMEFB-LBPRGKRZSA-N 1 2 327.222 2.303 20 10 EECDLO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1O ZINC000187780730 464161447 /nfs/dbraw/zinc/16/14/47/464161447.db2.gz VJJNHEXSHPEMPN-XCBNKYQSSA-N 1 2 338.276 2.484 20 10 EECDLO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1cccc2nonc21 ZINC000275661078 464784383 /nfs/dbraw/zinc/78/43/83/464784383.db2.gz DVXSPKQDJUBJNX-UHFFFAOYSA-N 1 2 346.412 2.128 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCCN(C)C(=O)C2)c1O ZINC000191663154 464824444 /nfs/dbraw/zinc/82/44/44/464824444.db2.gz HFABQNFJQJKGJT-UHFFFAOYSA-N 1 2 327.222 2.127 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](C)CC ZINC000276378524 464909848 /nfs/dbraw/zinc/90/98/48/464909848.db2.gz AGIAPWGGLVVUKZ-BZNIZROVSA-N 1 2 325.405 2.477 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000529666454 467892207 /nfs/dbraw/zinc/89/22/07/467892207.db2.gz LLQOSUXWIFJCPO-CYBMUJFWSA-N 1 2 330.222 2.392 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000529666454 467892210 /nfs/dbraw/zinc/89/22/10/467892210.db2.gz LLQOSUXWIFJCPO-CYBMUJFWSA-N 1 2 330.222 2.392 20 10 EECDLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccc(C(N)=O)cc2)c1C ZINC000726486735 576268507 /nfs/dbraw/zinc/26/85/07/576268507.db2.gz GPEILUMFUUSNIT-UHFFFAOYSA-N 1 2 344.440 2.293 20 10 EECDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000775603413 577440591 /nfs/dbraw/zinc/44/05/91/577440591.db2.gz BZJQMBFOZYOLOH-SFHVURJKSA-N 1 2 331.460 2.014 20 10 EECDLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000775603413 577440592 /nfs/dbraw/zinc/44/05/92/577440592.db2.gz BZJQMBFOZYOLOH-SFHVURJKSA-N 1 2 331.460 2.014 20 10 EECDLO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(OC)ccc1O ZINC000775669426 577442391 /nfs/dbraw/zinc/44/23/91/577442391.db2.gz ZRMOKVANSMFWBC-UHFFFAOYSA-N 1 2 325.405 2.191 20 10 EECDLO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(OC)ccc1O ZINC000775669426 577442392 /nfs/dbraw/zinc/44/23/92/577442392.db2.gz ZRMOKVANSMFWBC-UHFFFAOYSA-N 1 2 325.405 2.191 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)N[C@@H](C(C)C)C3=O)CC2)cc1 ZINC000777633567 577483604 /nfs/dbraw/zinc/48/36/04/577483604.db2.gz BMJSICFFPQRPQV-INIZCTEOSA-N 1 2 331.416 2.240 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000769557656 577580498 /nfs/dbraw/zinc/58/04/98/577580498.db2.gz RPIJLARPGSIYIQ-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000769557656 577580499 /nfs/dbraw/zinc/58/04/99/577580499.db2.gz RPIJLARPGSIYIQ-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756592912 577847306 /nfs/dbraw/zinc/84/73/06/577847306.db2.gz JKHUKIKXCFGWAP-PSASIEDQSA-N 1 2 336.201 2.342 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCOC1 ZINC000894540036 682961679 /nfs/dbraw/zinc/96/16/79/682961679.db2.gz AUEUCUCWUIYRJA-XJKSGUPXSA-N 1 2 337.416 2.157 20 10 EECDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001272629568 1190939657 /nfs/dbraw/zinc/93/96/57/1190939657.db2.gz OAJNOPYMVCVGQI-LBPRGKRZSA-N 1 2 338.835 2.257 20 10 EECDLO COc1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1Cn1cccn1 ZINC000873129845 1198507719 /nfs/dbraw/zinc/50/77/19/1198507719.db2.gz WHPDROUPILKBES-UHFFFAOYSA-N 1 2 340.431 2.471 20 10 EECDLO COc1ccc(O)c(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)c1 ZINC000811806234 1200321387 /nfs/dbraw/zinc/32/13/87/1200321387.db2.gz NAQQWDDBGJUMQP-ZDUSSCGKSA-N 1 2 344.415 2.012 20 10 EECDLO COc1ccc(O)c(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)c1 ZINC000811806234 1200321394 /nfs/dbraw/zinc/32/13/94/1200321394.db2.gz NAQQWDDBGJUMQP-ZDUSSCGKSA-N 1 2 344.415 2.012 20 10 EECDLO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837305 1205180883 /nfs/dbraw/zinc/18/08/83/1205180883.db2.gz VYDCLIYYAHYISX-GOSISDBHSA-N 1 2 334.416 2.170 20 10 EECDLO CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837305 1205180885 /nfs/dbraw/zinc/18/08/85/1205180885.db2.gz VYDCLIYYAHYISX-GOSISDBHSA-N 1 2 334.416 2.170 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cnn(C)n1 ZINC000924713982 1206022661 /nfs/dbraw/zinc/02/26/61/1206022661.db2.gz HNEPQBSOFZZOCX-MGPQQGTHSA-N 1 2 347.438 2.419 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)cc1 ZINC000193288865 1210790557 /nfs/dbraw/zinc/79/05/57/1210790557.db2.gz NXSXOPQNKOPJEW-LJQANCHMSA-N 1 2 346.475 2.499 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)cc1 ZINC000193288865 1210790560 /nfs/dbraw/zinc/79/05/60/1210790560.db2.gz NXSXOPQNKOPJEW-LJQANCHMSA-N 1 2 346.475 2.499 20 10 EECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[S@@](=O)C1 ZINC000862347119 1295803254 /nfs/dbraw/zinc/80/32/54/1295803254.db2.gz NILZSVSHDHAPSY-MLCYQJTMSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[S@@](=O)C1 ZINC000862347119 1295803263 /nfs/dbraw/zinc/80/32/63/1295803263.db2.gz NILZSVSHDHAPSY-MLCYQJTMSA-N 1 2 332.263 2.355 20 10 EECDLO Oc1ccc(F)c(Cl)c1CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222692972 1299795160 /nfs/dbraw/zinc/79/51/60/1299795160.db2.gz SRUAAIXKEBAGKN-INIZCTEOSA-N 1 2 327.831 2.102 20 10 EECDLO COc1ccc(N2CC3(CC[N@@H+]3Cc3cccc(=O)[nH]3)C2)c(OC)c1 ZINC001276994618 1300725242 /nfs/dbraw/zinc/72/52/42/1300725242.db2.gz PLSLVABEWSNWST-UHFFFAOYSA-N 1 2 341.411 2.269 20 10 EECDLO COc1ccc(N2CC3(CC[N@H+]3Cc3cccc(=O)[nH]3)C2)c(OC)c1 ZINC001276994618 1300725250 /nfs/dbraw/zinc/72/52/50/1300725250.db2.gz PLSLVABEWSNWST-UHFFFAOYSA-N 1 2 341.411 2.269 20 10 EECDLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)Cc2ccnn21 ZINC001277456683 1303222510 /nfs/dbraw/zinc/22/25/10/1303222510.db2.gz BUDURFDPNFPOCF-OAHLLOKOSA-N 1 2 348.834 2.277 20 10 EECDLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)Cc2ccnn21 ZINC001277456683 1303222513 /nfs/dbraw/zinc/22/25/13/1303222513.db2.gz BUDURFDPNFPOCF-OAHLLOKOSA-N 1 2 348.834 2.277 20 10 EECDLO CN(C)C(=O)c1noc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001277457923 1303238003 /nfs/dbraw/zinc/23/80/03/1303238003.db2.gz MHLCSJHVCNWPOB-UHFFFAOYSA-N 1 2 335.791 2.294 20 10 EECDLO CN(C)C(=O)c1noc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001277457923 1303238008 /nfs/dbraw/zinc/23/80/08/1303238008.db2.gz MHLCSJHVCNWPOB-UHFFFAOYSA-N 1 2 335.791 2.294 20 10 EECDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231878410 1303935821 /nfs/dbraw/zinc/93/58/21/1303935821.db2.gz JQVAUKOGEAGDSC-KRWDZBQOSA-N 1 2 338.411 2.420 20 10 EECDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231878410 1303935826 /nfs/dbraw/zinc/93/58/26/1303935826.db2.gz JQVAUKOGEAGDSC-KRWDZBQOSA-N 1 2 338.411 2.420 20 10 EECDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233028237 1304334061 /nfs/dbraw/zinc/33/40/61/1304334061.db2.gz LEYYJTZZQLJOHM-MRVPVSSYSA-N 1 2 332.169 2.289 20 10 EECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233028237 1304334069 /nfs/dbraw/zinc/33/40/69/1304334069.db2.gz LEYYJTZZQLJOHM-MRVPVSSYSA-N 1 2 332.169 2.289 20 10 EECDLO Oc1cc(C(F)(F)F)ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001233452053 1304470410 /nfs/dbraw/zinc/47/04/10/1304470410.db2.gz IUWPTYWWYPUUDW-AWEZNQCLSA-N 1 2 330.350 2.318 20 10 EECDLO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236805459 1305682197 /nfs/dbraw/zinc/68/21/97/1305682197.db2.gz YZJYLAJFPDGTDF-JTQLQIEISA-N 1 2 334.199 2.463 20 10 EECDLO COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236805459 1305682210 /nfs/dbraw/zinc/68/22/10/1305682210.db2.gz YZJYLAJFPDGTDF-JTQLQIEISA-N 1 2 334.199 2.463 20 10 EECDLO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237805183 1306102668 /nfs/dbraw/zinc/10/26/68/1306102668.db2.gz JJUWIZRAWJRCFC-ZDUSSCGKSA-N 1 2 344.814 2.302 20 10 EECDLO CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237805183 1306102672 /nfs/dbraw/zinc/10/26/72/1306102672.db2.gz JJUWIZRAWJRCFC-ZDUSSCGKSA-N 1 2 344.814 2.302 20 10 EECDLO CC[C@@]1(C(=O)OC)C[C@H](N(C)Cc2ccc(N3CCCC3)cc2)C[NH2+]1 ZINC001246790163 1310430546 /nfs/dbraw/zinc/43/05/46/1310430546.db2.gz LKSATAJQXHMGDS-ICSRJNTNSA-N 1 2 345.487 2.402 20 10 EECDLO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001140342537 1314872183 /nfs/dbraw/zinc/87/21/83/1314872183.db2.gz OGXLESRLXIECGY-LSDHHAIUSA-N 1 2 328.815 2.290 20 10 EECDLO COc1cccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)c1O ZINC000840257200 1315337205 /nfs/dbraw/zinc/33/72/05/1315337205.db2.gz YEVALSKBUGEYNJ-OCCSQVGLSA-N 1 2 344.415 2.010 20 10 EECDLO COc1cccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)c1O ZINC000840257200 1315337217 /nfs/dbraw/zinc/33/72/17/1315337217.db2.gz YEVALSKBUGEYNJ-OCCSQVGLSA-N 1 2 344.415 2.010 20 10 EECDLO Cc1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c(O)cc1Br ZINC001250129163 1317217318 /nfs/dbraw/zinc/21/73/18/1317217318.db2.gz ZPYXEJQUCKCNSM-NSHDSACASA-N 1 2 348.262 2.082 20 10 EECDLO COc1ccc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)cc1C ZINC001158470938 1319255367 /nfs/dbraw/zinc/25/53/67/1319255367.db2.gz GOIBXGKNUWSREN-CYBMUJFWSA-N 1 2 336.329 2.500 20 10 EECDLO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F)cc1C ZINC001158470938 1319255372 /nfs/dbraw/zinc/25/53/72/1319255372.db2.gz GOIBXGKNUWSREN-CYBMUJFWSA-N 1 2 336.329 2.500 20 10 EECDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC001203675082 1321938080 /nfs/dbraw/zinc/93/80/80/1321938080.db2.gz LQPONMGBVKNYBK-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2cc(O)c(O)c(OC)c2)Cc2ccccc21 ZINC001204348399 1322122736 /nfs/dbraw/zinc/12/27/36/1322122736.db2.gz DQFPESXGKVAQSZ-HNNXBMFYSA-N 1 2 343.379 2.379 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(O)c(O)c(OC)c2)Cc2ccccc21 ZINC001204348399 1322122740 /nfs/dbraw/zinc/12/27/40/1322122740.db2.gz DQFPESXGKVAQSZ-HNNXBMFYSA-N 1 2 343.379 2.379 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)cc1 ZINC001319857669 1332786077 /nfs/dbraw/zinc/78/60/77/1332786077.db2.gz CIRIKOMXQHDDFS-UHFFFAOYSA-N 1 2 342.443 2.411 20 10 EECDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000847393474 1338024216 /nfs/dbraw/zinc/02/42/16/1338024216.db2.gz MCCBLBTUKIGQJU-CABCVRRESA-N 1 2 342.443 2.302 20 10 EECDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000847393474 1338024219 /nfs/dbraw/zinc/02/42/19/1338024219.db2.gz MCCBLBTUKIGQJU-CABCVRRESA-N 1 2 342.443 2.302 20 10 EECDLO CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001590468535 1349342385 /nfs/dbraw/zinc/34/23/85/1349342385.db2.gz UGKRMSMSFGYKED-ZDUSSCGKSA-N 1 2 347.419 2.345 20 10 EECDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)C(=O)OC(C)(C)C ZINC001603551727 1350718275 /nfs/dbraw/zinc/71/82/75/1350718275.db2.gz DFYOAOFYCIJLEM-QWRGUYRKSA-N 1 2 347.419 2.201 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604057281 1350843068 /nfs/dbraw/zinc/84/30/68/1350843068.db2.gz ZEJXGDDTVKXXBU-XUJVJEKNSA-N 1 2 331.420 2.428 20 10 EECDLO COC[C@@H](C)C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089812196 776234133 /nfs/dbraw/zinc/23/41/33/776234133.db2.gz BUPHPOANOQNVFO-CYBMUJFWSA-N 1 2 346.475 2.327 20 10 EECDLO COc1ccc(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)cc1F ZINC000845748677 789933331 /nfs/dbraw/zinc/93/33/31/789933331.db2.gz ULVXFXSZWWLDBT-AWEZNQCLSA-N 1 2 346.406 2.331 20 10 EECDLO C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105302451 237091717 /nfs/dbraw/zinc/09/17/17/237091717.db2.gz HLFQWCFTFFWNQY-HOTGVXAUSA-N 1 2 348.491 2.003 20 10 EECDLO C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000105302449 533106895 /nfs/dbraw/zinc/10/68/95/533106895.db2.gz HLFQWCFTFFWNQY-HZPDHXFCSA-N 1 2 348.491 2.003 20 10 EECDLO CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153000676 462604088 /nfs/dbraw/zinc/60/40/88/462604088.db2.gz ZSNPPASTWDZWAO-HNNXBMFYSA-N 1 2 326.400 2.208 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000279785789 464147528 /nfs/dbraw/zinc/14/75/28/464147528.db2.gz NZFODGVFXSHLMX-QGZVFWFLSA-N 1 2 333.476 2.116 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000279785789 464147532 /nfs/dbraw/zinc/14/75/32/464147532.db2.gz NZFODGVFXSHLMX-QGZVFWFLSA-N 1 2 333.476 2.116 20 10 EECDLO COc1cc(O)c(CN2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000271862525 464396172 /nfs/dbraw/zinc/39/61/72/464396172.db2.gz ZIXSAYKIUFDMTI-UHFFFAOYSA-N 1 2 332.400 2.320 20 10 EECDLO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273528179 464719856 /nfs/dbraw/zinc/71/98/56/464719856.db2.gz VWZMWTSJPBEWCM-CYBMUJFWSA-N 1 2 343.383 2.310 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000282808627 464956734 /nfs/dbraw/zinc/95/67/34/464956734.db2.gz PAEDUKPRDPMBEJ-MRXNPFEDSA-N 1 2 349.475 2.425 20 10 EECDLO COc1ccc(N2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000363664853 466545912 /nfs/dbraw/zinc/54/59/12/466545912.db2.gz DWHOQKMPYIYQSK-UHFFFAOYSA-N 1 2 328.416 2.021 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000108928470 528147824 /nfs/dbraw/zinc/14/78/24/528147824.db2.gz FDLLUCGVQAZPFU-HNNXBMFYSA-N 1 2 335.448 2.035 20 10 EECDLO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775661200 577442112 /nfs/dbraw/zinc/44/21/12/577442112.db2.gz KMVJNJOPUFIJPO-CQSZACIVSA-N 1 2 349.830 2.419 20 10 EECDLO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775661200 577442113 /nfs/dbraw/zinc/44/21/13/577442113.db2.gz KMVJNJOPUFIJPO-CQSZACIVSA-N 1 2 349.830 2.419 20 10 EECDLO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000765795145 577507323 /nfs/dbraw/zinc/50/73/23/577507323.db2.gz HVYJMUQXTHLQRZ-JQWIXIFHSA-N 1 2 327.222 2.159 20 10 EECDLO CN(C)c1ccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000755847046 577832822 /nfs/dbraw/zinc/83/28/22/577832822.db2.gz ZARNHELLNPOLQR-OAHLLOKOSA-N 1 2 327.432 2.185 20 10 EECDLO C[C@@H]([NH2+]CCOCCO)c1cc(Br)cc(Cl)c1O ZINC000756359958 577842705 /nfs/dbraw/zinc/84/27/05/577842705.db2.gz CQOPISFPYARFII-MRVPVSSYSA-N 1 2 338.629 2.468 20 10 EECDLO C[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741296489 578116427 /nfs/dbraw/zinc/11/64/27/578116427.db2.gz MCWQNGDJZOZCSK-CJNGLKHVSA-N 1 2 346.452 2.473 20 10 EECDLO C[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741296489 578116428 /nfs/dbraw/zinc/11/64/28/578116428.db2.gz MCWQNGDJZOZCSK-CJNGLKHVSA-N 1 2 346.452 2.473 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046486337 683946661 /nfs/dbraw/zinc/94/66/61/683946661.db2.gz RVLIFRUWPGVWGN-MRXNPFEDSA-N 1 2 348.491 2.005 20 10 EECDLO COCC[N@@H+](Cc1cc(F)cc(F)c1O)C[C@H](O)C(F)(F)F ZINC000895184997 684255477 /nfs/dbraw/zinc/25/54/77/684255477.db2.gz YWOSSMLTSJPGNB-NSHDSACASA-N 1 2 329.265 2.042 20 10 EECDLO COCC[N@H+](Cc1cc(F)cc(F)c1O)C[C@H](O)C(F)(F)F ZINC000895184997 684255484 /nfs/dbraw/zinc/25/54/84/684255484.db2.gz YWOSSMLTSJPGNB-NSHDSACASA-N 1 2 329.265 2.042 20 10 EECDLO COc1cccnc1N1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142527535 1188227896 /nfs/dbraw/zinc/22/78/96/1188227896.db2.gz YFPCMNLQIFDBOW-UHFFFAOYSA-N 1 2 335.354 2.396 20 10 EECDLO CONC(=O)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000879924097 1201313185 /nfs/dbraw/zinc/31/31/85/1201313185.db2.gz NYHCNUGGVGXBIC-UHFFFAOYSA-N 1 2 340.807 2.138 20 10 EECDLO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001274656159 1205118822 /nfs/dbraw/zinc/11/88/22/1205118822.db2.gz NBOOHDMANXSHBV-GFCCVEGCSA-N 1 2 338.835 2.402 20 10 EECDLO CC(C)=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836203 1205179832 /nfs/dbraw/zinc/17/98/32/1205179832.db2.gz FJSUCFMGWWLMRL-LJQANCHMSA-N 1 2 346.427 2.337 20 10 EECDLO CC(C)=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836203 1205179833 /nfs/dbraw/zinc/17/98/33/1205179833.db2.gz FJSUCFMGWWLMRL-LJQANCHMSA-N 1 2 346.427 2.337 20 10 EECDLO CC(C)[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000778241940 1207948298 /nfs/dbraw/zinc/94/82/98/1207948298.db2.gz ILAAZPLXCCDGJH-GOSISDBHSA-N 1 2 333.476 2.068 20 10 EECDLO CC(C)[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000778241940 1207948301 /nfs/dbraw/zinc/94/83/01/1207948301.db2.gz ILAAZPLXCCDGJH-GOSISDBHSA-N 1 2 333.476 2.068 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)c(C)n1-c1ccc(F)cn1 ZINC000827354245 1247940255 /nfs/dbraw/zinc/94/02/55/1247940255.db2.gz OELQIPYTICFJRI-OAHLLOKOSA-N 1 2 331.391 2.268 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](O)C2)c(C)n1-c1ccc(F)cn1 ZINC000827354245 1247940266 /nfs/dbraw/zinc/94/02/66/1247940266.db2.gz OELQIPYTICFJRI-OAHLLOKOSA-N 1 2 331.391 2.268 20 10 EECDLO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1C[NH2+]CC1(F)F ZINC001218232504 1297609725 /nfs/dbraw/zinc/60/97/25/1297609725.db2.gz CQHYOYQHCYXOPV-CYBMUJFWSA-N 1 2 345.301 2.154 20 10 EECDLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cc(O)ccc2O)c1C ZINC001277657390 1304101567 /nfs/dbraw/zinc/10/15/67/1304101567.db2.gz PZLBSJFNEKUVPD-ACJLOTCBSA-N 1 2 343.383 2.306 20 10 EECDLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cc(O)ccc2O)c1C ZINC001277657390 1304101572 /nfs/dbraw/zinc/10/15/72/1304101572.db2.gz PZLBSJFNEKUVPD-ACJLOTCBSA-N 1 2 343.383 2.306 20 10 EECDLO O=C1CC[C@@H]2C[N@H+](Cc3c(O)cccc3OC(F)(F)F)CCN12 ZINC001237124356 1305803517 /nfs/dbraw/zinc/80/35/17/1305803517.db2.gz ZYFGZSUZKJOKQZ-SNVBAGLBSA-N 1 2 330.306 2.097 20 10 EECDLO O=C1CC[C@@H]2C[N@@H+](Cc3c(O)cccc3OC(F)(F)F)CCN12 ZINC001237124356 1305803531 /nfs/dbraw/zinc/80/35/31/1305803531.db2.gz ZYFGZSUZKJOKQZ-SNVBAGLBSA-N 1 2 330.306 2.097 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1c(C)cccc1O ZINC001237485275 1305954631 /nfs/dbraw/zinc/95/46/31/1305954631.db2.gz FWQJARFFSMIXRY-KRWDZBQOSA-N 1 2 342.443 2.448 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1c(C)cccc1O ZINC001237485275 1305954636 /nfs/dbraw/zinc/95/46/36/1305954636.db2.gz FWQJARFFSMIXRY-KRWDZBQOSA-N 1 2 342.443 2.448 20 10 EECDLO COCc1noc2c1C[N@H+](Cc1c(O)cc(OC)cc1OC)CC2 ZINC001141034922 1315021944 /nfs/dbraw/zinc/02/19/44/1315021944.db2.gz VWGYYAXPKAZHAI-UHFFFAOYSA-N 1 2 334.372 2.102 20 10 EECDLO COCc1noc2c1C[N@@H+](Cc1c(O)cc(OC)cc1OC)CC2 ZINC001141034922 1315021950 /nfs/dbraw/zinc/02/19/50/1315021950.db2.gz VWGYYAXPKAZHAI-UHFFFAOYSA-N 1 2 334.372 2.102 20 10 EECDLO COC(=O)C[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141076050 1315036842 /nfs/dbraw/zinc/03/68/42/1315036842.db2.gz KTBVHHVHVIRROM-SFHVURJKSA-N 1 2 344.455 2.149 20 10 EECDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141076050 1315036847 /nfs/dbraw/zinc/03/68/47/1315036847.db2.gz KTBVHHVHVIRROM-SFHVURJKSA-N 1 2 344.455 2.149 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000840241972 1315333327 /nfs/dbraw/zinc/33/33/27/1315333327.db2.gz PHWSRHRRWODGKZ-OAHLLOKOSA-N 1 2 329.448 2.188 20 10 EECDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001203550191 1321910143 /nfs/dbraw/zinc/91/01/43/1321910143.db2.gz LBRRZRSKRZAXSZ-GDBMZVCRSA-N 1 2 334.416 2.212 20 10 EECDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001203550191 1321910145 /nfs/dbraw/zinc/91/01/45/1321910145.db2.gz LBRRZRSKRZAXSZ-GDBMZVCRSA-N 1 2 334.416 2.212 20 10 EECDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1ccc(N(C)C)cc1 ZINC001203934046 1321994524 /nfs/dbraw/zinc/99/45/24/1321994524.db2.gz LRBXRUJHBMKNTG-UHFFFAOYSA-N 1 2 336.432 2.071 20 10 EECDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1ccc(N(C)C)cc1 ZINC001203934046 1321994526 /nfs/dbraw/zinc/99/45/26/1321994526.db2.gz LRBXRUJHBMKNTG-UHFFFAOYSA-N 1 2 336.432 2.071 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206228726 1323432384 /nfs/dbraw/zinc/43/23/84/1323432384.db2.gz BVVSRJNWGNNCBE-HNNXBMFYSA-N 1 2 342.317 2.273 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206228726 1323432387 /nfs/dbraw/zinc/43/23/87/1323432387.db2.gz BVVSRJNWGNNCBE-HNNXBMFYSA-N 1 2 342.317 2.273 20 10 EECDLO C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852282 1334727161 /nfs/dbraw/zinc/72/71/61/1334727161.db2.gz YLJSKHCLALJORW-VQIMIIECSA-N 1 2 348.510 2.350 20 10 EECDLO C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852282 1334727167 /nfs/dbraw/zinc/72/71/67/1334727167.db2.gz YLJSKHCLALJORW-VQIMIIECSA-N 1 2 348.510 2.350 20 10 EECDLO CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1cccc(-c2nn[nH]n2)c1O ZINC001590470524 1349345243 /nfs/dbraw/zinc/34/52/43/1349345243.db2.gz XZENPKNVJSPMCZ-CQSZACIVSA-N 1 2 328.351 2.347 20 10 EECDLO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CCO1 ZINC001603658201 1350736265 /nfs/dbraw/zinc/73/62/65/1350736265.db2.gz QIYYJNNUXVXTBR-YWPYICTPSA-N 1 2 331.420 2.427 20 10 EECDLO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1cccc(-c2nn[nH]n2)c1O ZINC001604062190 1350843548 /nfs/dbraw/zinc/84/35/48/1350843548.db2.gz PZTNJSUHDYWBJS-OAHLLOKOSA-N 1 2 341.419 2.164 20 10 EECDLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000893946802 780332996 /nfs/dbraw/zinc/33/29/96/780332996.db2.gz RAROZIXSJDJXDW-BDAKNGLRSA-N 1 2 345.212 2.380 20 10 EECDLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000893946802 780333003 /nfs/dbraw/zinc/33/30/03/780333003.db2.gz RAROZIXSJDJXDW-BDAKNGLRSA-N 1 2 345.212 2.380 20 10 EECDLO CS(=O)(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000707141545 786112367 /nfs/dbraw/zinc/11/23/67/786112367.db2.gz FYZMHNPAYPKHRH-UHFFFAOYSA-N 1 2 348.262 2.164 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000823576714 787805548 /nfs/dbraw/zinc/80/55/48/787805548.db2.gz WCDJUKKGCGJMSX-HNNXBMFYSA-N 1 2 347.411 2.243 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000823576714 787805560 /nfs/dbraw/zinc/80/55/60/787805560.db2.gz WCDJUKKGCGJMSX-HNNXBMFYSA-N 1 2 347.411 2.243 20 10 EECDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844386115 789054518 /nfs/dbraw/zinc/05/45/18/789054518.db2.gz MCRNXDBDZUDLIX-MRXNPFEDSA-N 1 2 333.476 2.258 20 10 EECDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844386115 789054526 /nfs/dbraw/zinc/05/45/26/789054526.db2.gz MCRNXDBDZUDLIX-MRXNPFEDSA-N 1 2 333.476 2.258 20 10 EECDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H](C)CCOCC(C)C ZINC001172456322 796998492 /nfs/dbraw/zinc/99/84/92/796998492.db2.gz ZRUPCNBAGBBHCV-ZFWWWQNUSA-N 1 2 339.432 2.223 20 10 EECDLO Nc1cc(NCC(=O)c2ccc(O)c(O)c2)[nH+]cc1C(F)(F)F ZINC001170316248 809887416 /nfs/dbraw/zinc/88/74/16/809887416.db2.gz DNJUFDVSBSERBG-UHFFFAOYSA-N 1 2 327.262 2.389 20 10 EECDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000126258380 463620716 /nfs/dbraw/zinc/62/07/16/463620716.db2.gz XJDOTEQSZSAOFM-LBPRGKRZSA-N 1 2 328.453 2.289 20 10 EECDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000126258380 463620718 /nfs/dbraw/zinc/62/07/18/463620718.db2.gz XJDOTEQSZSAOFM-LBPRGKRZSA-N 1 2 328.453 2.289 20 10 EECDLO COc1ccc(C(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000289378351 464075659 /nfs/dbraw/zinc/07/56/59/464075659.db2.gz BPTCDSHFBFJFDR-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000352125898 465476153 /nfs/dbraw/zinc/47/61/53/465476153.db2.gz NQCNEUFRSUMWLY-UHFFFAOYSA-N 1 2 341.455 2.358 20 10 EECDLO COCc1noc([C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000181519298 464500118 /nfs/dbraw/zinc/50/01/18/464500118.db2.gz ITPRLGFYYRQZNJ-AWEZNQCLSA-N 1 2 346.431 2.246 20 10 EECDLO COCc1noc([C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000181519298 464500125 /nfs/dbraw/zinc/50/01/25/464500125.db2.gz ITPRLGFYYRQZNJ-AWEZNQCLSA-N 1 2 346.431 2.246 20 10 EECDLO COc1cc(Cl)cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000184679970 465017372 /nfs/dbraw/zinc/01/73/72/465017372.db2.gz QQNLDUKBLGNHBQ-CYBMUJFWSA-N 1 2 345.848 2.206 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000184679970 465017375 /nfs/dbraw/zinc/01/73/75/465017375.db2.gz QQNLDUKBLGNHBQ-CYBMUJFWSA-N 1 2 345.848 2.206 20 10 EECDLO c1[nH]c2ncccc2c1C1=CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665690153 472138633 /nfs/dbraw/zinc/13/86/33/472138633.db2.gz IEDKRAFHQNNNHH-UHFFFAOYSA-N 1 2 334.383 2.451 20 10 EECDLO c1[nH]c2ncccc2c1C1=CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665690153 472138641 /nfs/dbraw/zinc/13/86/41/472138641.db2.gz IEDKRAFHQNNNHH-UHFFFAOYSA-N 1 2 334.383 2.451 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000726258290 576252073 /nfs/dbraw/zinc/25/20/73/576252073.db2.gz WDKKADMEGVINNL-INIZCTEOSA-N 1 2 348.491 2.053 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000726258290 576252076 /nfs/dbraw/zinc/25/20/76/576252076.db2.gz WDKKADMEGVINNL-INIZCTEOSA-N 1 2 348.491 2.053 20 10 EECDLO COc1cc(C[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)c(O)cc1C ZINC000768465777 577556597 /nfs/dbraw/zinc/55/65/97/577556597.db2.gz LDIGCXDSZNWHTR-INIZCTEOSA-N 1 2 332.425 2.444 20 10 EECDLO COc1cc(C[N@H+]2CCNC(=O)[C@@H]2c2cccs2)c(O)cc1C ZINC000768465777 577556598 /nfs/dbraw/zinc/55/65/98/577556598.db2.gz LDIGCXDSZNWHTR-INIZCTEOSA-N 1 2 332.425 2.444 20 10 EECDLO CCOc1ccc(C[N@H+](C)[C@@H](COC(C)C)C(=O)OC)c(O)c1 ZINC000770356363 577594524 /nfs/dbraw/zinc/59/45/24/577594524.db2.gz UYRROOSBYWCUFK-HNNXBMFYSA-N 1 2 325.405 2.189 20 10 EECDLO CCOc1ccc(C[N@@H+](C)[C@@H](COC(C)C)C(=O)OC)c(O)c1 ZINC000770356363 577594525 /nfs/dbraw/zinc/59/45/25/577594525.db2.gz UYRROOSBYWCUFK-HNNXBMFYSA-N 1 2 325.405 2.189 20 10 EECDLO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000756709905 577849136 /nfs/dbraw/zinc/84/91/36/577849136.db2.gz ZXFVGWNMLWOHQB-MRVPVSSYSA-N 1 2 341.260 2.289 20 10 EECDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000743371822 577884166 /nfs/dbraw/zinc/88/41/66/577884166.db2.gz VKYCVXPXJXXLOX-SNVBAGLBSA-N 1 2 335.360 2.233 20 10 EECDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000743371822 577884167 /nfs/dbraw/zinc/88/41/67/577884167.db2.gz VKYCVXPXJXXLOX-SNVBAGLBSA-N 1 2 335.360 2.233 20 10 EECDLO COc1cccc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1O ZINC000745787328 577918512 /nfs/dbraw/zinc/91/85/12/577918512.db2.gz VIMMVUHZJYHZAQ-UHFFFAOYSA-N 1 2 345.399 2.421 20 10 EECDLO COc1ccc(N2CC[C@@H](CNc3cc(N(C)C)nc[nH+]3)C2)cc1 ZINC000894269757 681854111 /nfs/dbraw/zinc/85/41/11/681854111.db2.gz VMHGVKXVONYHFL-AWEZNQCLSA-N 1 2 327.432 2.490 20 10 EECDLO COc1ccc(C[NH2+][C@@H](C)c2nc(C)no2)cc1Cn1cccn1 ZINC000877471372 1199939711 /nfs/dbraw/zinc/93/97/11/1199939711.db2.gz VTQFFWQVBRRGDW-LBPRGKRZSA-N 1 2 327.388 2.482 20 10 EECDLO CCOc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000877775315 1200090276 /nfs/dbraw/zinc/09/02/76/1200090276.db2.gz LCGMMFKBMRKCGY-HNNXBMFYSA-N 1 2 346.349 2.434 20 10 EECDLO CCOc1cccc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000877775315 1200090282 /nfs/dbraw/zinc/09/02/82/1200090282.db2.gz LCGMMFKBMRKCGY-HNNXBMFYSA-N 1 2 346.349 2.434 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1 ZINC000877776077 1200093239 /nfs/dbraw/zinc/09/32/39/1200093239.db2.gz XRRVZSOOKUBJRB-AWEZNQCLSA-N 1 2 332.322 2.044 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1 ZINC000877776077 1200093242 /nfs/dbraw/zinc/09/32/42/1200093242.db2.gz XRRVZSOOKUBJRB-AWEZNQCLSA-N 1 2 332.322 2.044 20 10 EECDLO COc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000877775929 1200093297 /nfs/dbraw/zinc/09/32/97/1200093297.db2.gz UHRWOXXJVWDQQZ-AWEZNQCLSA-N 1 2 332.322 2.044 20 10 EECDLO COc1cccc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000877775929 1200093300 /nfs/dbraw/zinc/09/33/00/1200093300.db2.gz UHRWOXXJVWDQQZ-AWEZNQCLSA-N 1 2 332.322 2.044 20 10 EECDLO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883132774 1202017974 /nfs/dbraw/zinc/01/79/74/1202017974.db2.gz CSBUFTDOMZRZGM-TVQRCGJNSA-N 1 2 348.212 2.435 20 10 EECDLO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000886221472 1202481809 /nfs/dbraw/zinc/48/18/09/1202481809.db2.gz ZVYNMWYNIUVKIO-NEPJUHHUSA-N 1 2 348.212 2.313 20 10 EECDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000800293995 1234019526 /nfs/dbraw/zinc/01/95/26/1234019526.db2.gz RKJARQKSJBQLPS-UHFFFAOYSA-N 1 2 347.438 2.299 20 10 EECDLO COc1cccc(C[NH+]2CC3(C2)CC[C@H](C(=O)NC(C)(C)C)O3)c1O ZINC001277451543 1303130974 /nfs/dbraw/zinc/13/09/74/1303130974.db2.gz FYWKYUBIYPIWDM-OAHLLOKOSA-N 1 2 348.443 2.049 20 10 EECDLO O=C(Nc1cn[nH]c1)[C@]12C[C@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277456823 1303222591 /nfs/dbraw/zinc/22/25/91/1303222591.db2.gz CRMBUXRGNQMXEX-BZNIZROVSA-N 1 2 332.791 2.372 20 10 EECDLO O=C(Nc1cn[nH]c1)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001277456823 1303222596 /nfs/dbraw/zinc/22/25/96/1303222596.db2.gz CRMBUXRGNQMXEX-BZNIZROVSA-N 1 2 332.791 2.372 20 10 EECDLO COCc1noc2c1C[N@H+](Cc1ccc(N(C)C)cc1OC)CC2 ZINC001231852084 1303930946 /nfs/dbraw/zinc/93/09/46/1303930946.db2.gz GMTCCXJJKCAMFC-UHFFFAOYSA-N 1 2 331.416 2.454 20 10 EECDLO COCc1noc2c1C[N@@H+](Cc1ccc(N(C)C)cc1OC)CC2 ZINC001231852084 1303930950 /nfs/dbraw/zinc/93/09/50/1303930950.db2.gz GMTCCXJJKCAMFC-UHFFFAOYSA-N 1 2 331.416 2.454 20 10 EECDLO O=C1NCC[C@@]12CC[N@@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233027952 1304333727 /nfs/dbraw/zinc/33/37/27/1304333727.db2.gz GUOBOGBHGRIHLI-AWEZNQCLSA-N 1 2 343.196 2.006 20 10 EECDLO O=C1NCC[C@@]12CC[N@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233027952 1304333735 /nfs/dbraw/zinc/33/37/35/1304333735.db2.gz GUOBOGBHGRIHLI-AWEZNQCLSA-N 1 2 343.196 2.006 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3ccncn3)CC2)c(Cl)c1 ZINC001236809486 1305686000 /nfs/dbraw/zinc/68/60/00/1305686000.db2.gz WBZBWFLSRXNTTI-UHFFFAOYSA-N 1 2 334.807 2.166 20 10 EECDLO Cc1cc(C[N@@H+]2CCSC[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828577248 1314466037 /nfs/dbraw/zinc/46/60/37/1314466037.db2.gz XWOLHSJHDHKSDC-KRWDZBQOSA-N 1 2 333.501 2.388 20 10 EECDLO Cc1cc(C[N@H+]2CCSC[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828577248 1314466041 /nfs/dbraw/zinc/46/60/41/1314466041.db2.gz XWOLHSJHDHKSDC-KRWDZBQOSA-N 1 2 333.501 2.388 20 10 EECDLO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[N@H+](C)C1 ZINC000840957034 1315445942 /nfs/dbraw/zinc/44/59/42/1315445942.db2.gz HQELZUYGMPYRIO-LLVKDONJSA-N 1 2 347.242 2.236 20 10 EECDLO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[N@@H+](C)C1 ZINC000840957034 1315445946 /nfs/dbraw/zinc/44/59/46/1315445946.db2.gz HQELZUYGMPYRIO-LLVKDONJSA-N 1 2 347.242 2.236 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1)c1ccccn1 ZINC001142531452 1315652560 /nfs/dbraw/zinc/65/25/60/1315652560.db2.gz XXGNFFFZYGJGED-CYBMUJFWSA-N 1 2 347.365 2.460 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1)c1ccccn1 ZINC001142531452 1315652563 /nfs/dbraw/zinc/65/25/63/1315652563.db2.gz XXGNFFFZYGJGED-CYBMUJFWSA-N 1 2 347.365 2.460 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2nnn(C)c21 ZINC001203608119 1321922577 /nfs/dbraw/zinc/92/25/77/1321922577.db2.gz IKBHMHFDUFUTPC-CQSZACIVSA-N 1 2 346.431 2.055 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2nnn(C)c21 ZINC001203608119 1321922578 /nfs/dbraw/zinc/92/25/78/1321922578.db2.gz IKBHMHFDUFUTPC-CQSZACIVSA-N 1 2 346.431 2.055 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203657733 1321934183 /nfs/dbraw/zinc/93/41/83/1321934183.db2.gz MWYPXDWNORYMLB-CYBMUJFWSA-N 1 2 325.792 2.390 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203657733 1321934184 /nfs/dbraw/zinc/93/41/84/1321934184.db2.gz MWYPXDWNORYMLB-CYBMUJFWSA-N 1 2 325.792 2.390 20 10 EECDLO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204348408 1322123271 /nfs/dbraw/zinc/12/32/71/1322123271.db2.gz DVRWXLFBJWTUSC-UHFFFAOYSA-N 1 2 343.379 2.451 20 10 EECDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204348408 1322123276 /nfs/dbraw/zinc/12/32/76/1322123276.db2.gz DVRWXLFBJWTUSC-UHFFFAOYSA-N 1 2 343.379 2.451 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnc(OC)c(OC)c3)CC2)cc1 ZINC001209614876 1324988345 /nfs/dbraw/zinc/98/83/45/1324988345.db2.gz YXFDQFSFNAJSCM-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO COc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cnc1OC ZINC001209620720 1324991140 /nfs/dbraw/zinc/99/11/40/1324991140.db2.gz NKXZGNFZPPAVPR-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO COc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cnc1OC ZINC001209620720 1324991142 /nfs/dbraw/zinc/99/11/42/1324991142.db2.gz NKXZGNFZPPAVPR-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO OC1CCN(c2ccc(C[NH2+]Cc3nc(C(F)F)no3)cc2)CC1 ZINC001333791435 1336134275 /nfs/dbraw/zinc/13/42/75/1336134275.db2.gz DCWQFORJZKFUID-UHFFFAOYSA-N 1 2 338.358 2.258 20 10 EECDLO CC(C)N(CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)C(C)C ZINC001589960925 1349081608 /nfs/dbraw/zinc/08/16/08/1349081608.db2.gz KVJXKNNJLFZAOX-ZDUSSCGKSA-N 1 2 332.452 2.342 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961986 1349082544 /nfs/dbraw/zinc/08/25/44/1349082544.db2.gz FXOZDZHLYLNQIY-NEPJUHHUSA-N 1 2 330.436 2.096 20 10 EECDLO CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465726 1349342093 /nfs/dbraw/zinc/34/20/93/1349342093.db2.gz VNQVCAVYIVHLGY-ZBFHGGJFSA-N 1 2 345.447 2.410 20 10 EECDLO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603649861 1350734382 /nfs/dbraw/zinc/73/43/82/1350734382.db2.gz HBQZRZFCBHBCHB-SMDDNHRTSA-N 1 2 329.404 2.325 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603656309 1350735198 /nfs/dbraw/zinc/73/51/98/1350735198.db2.gz GCJAAVKBEISRNF-VXGBXAGGSA-N 1 2 331.420 2.428 20 10 EECDLO C[C@@H]([NH2+]CCOC1CCSCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603661668 1350737103 /nfs/dbraw/zinc/73/71/03/1350737103.db2.gz BOLQCJFHQWBFEL-LLVKDONJSA-N 1 2 349.460 2.135 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056576 1350841589 /nfs/dbraw/zinc/84/15/89/1350841589.db2.gz UYXIDJOTHDTHMA-XUJVJEKNSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862352172 1369531813 /nfs/dbraw/zinc/53/18/13/1369531813.db2.gz YZCNZCPRIRQZNS-ZDUSSCGKSA-N 1 2 327.419 2.183 20 10 EECDLO COCC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000798941177 1371622043 /nfs/dbraw/zinc/62/20/43/1371622043.db2.gz WCPVSHVXVDUVTH-PSASIEDQSA-N 1 2 336.201 2.342 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C[C@@H]1C ZINC001139129993 1372463442 /nfs/dbraw/zinc/46/34/42/1372463442.db2.gz NCKMHXXBZFWIKX-AAEUAGOBSA-N 1 2 331.368 2.048 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C[C@@H]1C ZINC001139129993 1372463449 /nfs/dbraw/zinc/46/34/49/1372463449.db2.gz NCKMHXXBZFWIKX-AAEUAGOBSA-N 1 2 331.368 2.048 20 10 EECDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894096598 780533371 /nfs/dbraw/zinc/53/33/71/780533371.db2.gz WKODEBSXEVMCDC-AWEZNQCLSA-N 1 2 325.405 2.108 20 10 EECDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894096598 780533375 /nfs/dbraw/zinc/53/33/75/780533375.db2.gz WKODEBSXEVMCDC-AWEZNQCLSA-N 1 2 325.405 2.108 20 10 EECDLO COC(=O)[C@H](C)c1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1 ZINC001168009651 781724376 /nfs/dbraw/zinc/72/43/76/781724376.db2.gz NFZDTXIIJWVEKS-SNVBAGLBSA-N 1 2 332.356 2.130 20 10 EECDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824576562 788221258 /nfs/dbraw/zinc/22/12/58/788221258.db2.gz OVSXSIKYNNQEQX-NSHDSACASA-N 1 2 343.221 2.427 20 10 EECDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824576562 788221260 /nfs/dbraw/zinc/22/12/60/788221260.db2.gz OVSXSIKYNNQEQX-NSHDSACASA-N 1 2 343.221 2.427 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000844726320 789330583 /nfs/dbraw/zinc/33/05/83/789330583.db2.gz SZDZTDPMUUDNOV-UHFFFAOYSA-N 1 2 347.419 2.442 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000844726320 789330598 /nfs/dbraw/zinc/33/05/98/789330598.db2.gz SZDZTDPMUUDNOV-UHFFFAOYSA-N 1 2 347.419 2.442 20 10 EECDLO O=C1N=NCN1C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000825496647 800338866 /nfs/dbraw/zinc/33/88/66/800338866.db2.gz HMBOLLMFDUYOHA-UHFFFAOYSA-N 1 2 326.759 2.319 20 10 EECDLO COc1ccc(N2CCCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000052511629 214130701 /nfs/dbraw/zinc/13/07/01/214130701.db2.gz YEUUBFSLNLKISE-UHFFFAOYSA-N 1 2 338.415 2.089 20 10 EECDLO COc1ccc(N2CCC(NC(=O)[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000069491078 463259484 /nfs/dbraw/zinc/25/94/84/463259484.db2.gz XENDGCBVEILHER-CQSZACIVSA-N 1 2 328.416 2.238 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3cc(C)ncn3)CC2)cc1 ZINC000084116894 463579822 /nfs/dbraw/zinc/57/98/22/463579822.db2.gz CIJZRVHDIMTBSQ-UHFFFAOYSA-N 1 2 326.400 2.192 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)CC ZINC000278412081 463965061 /nfs/dbraw/zinc/96/50/61/463965061.db2.gz QCFDYMBTLSZEDW-ZWNOBZJWSA-N 1 2 340.376 2.376 20 10 EECDLO CCc1cc(N)nc(SCC(=O)NCc2ccc(N(C)C)cc2)[nH+]1 ZINC000279055948 464029800 /nfs/dbraw/zinc/02/98/00/464029800.db2.gz HXFJORBFVXLODE-UHFFFAOYSA-N 1 2 345.472 2.096 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(F)c(F)c1O ZINC000187878971 464170261 /nfs/dbraw/zinc/17/02/61/464170261.db2.gz QKXHQCBLPUZYMY-MNOVXSKESA-N 1 2 329.343 2.243 20 10 EECDLO C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1n1cc[nH+]c1 ZINC000181194523 464455670 /nfs/dbraw/zinc/45/56/70/464455670.db2.gz ZFSGQKCBUOSPMP-YTRREALPSA-N 1 2 327.384 2.417 20 10 EECDLO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1c(F)cncc1F ZINC000285631890 464636854 /nfs/dbraw/zinc/63/68/54/464636854.db2.gz KWAFERKILMRMHO-LBPRGKRZSA-N 1 2 348.397 2.393 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000274082480 464734125 /nfs/dbraw/zinc/73/41/25/464734125.db2.gz HJCOKLBGUNNXAT-LBPRGKRZSA-N 1 2 333.837 2.063 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000274082480 464734128 /nfs/dbraw/zinc/73/41/28/464734128.db2.gz HJCOKLBGUNNXAT-LBPRGKRZSA-N 1 2 333.837 2.063 20 10 EECDLO CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cn2ccccc2[nH+]1 ZINC000266390526 464772975 /nfs/dbraw/zinc/77/29/75/464772975.db2.gz ZQOOKLURNMDHEG-UHFFFAOYSA-N 1 2 336.395 2.368 20 10 EECDLO COC(=O)C[N@H+](CCC1OCCCO1)Cc1cc(Cl)ccc1O ZINC000267899612 464942959 /nfs/dbraw/zinc/94/29/59/464942959.db2.gz AXRYYIRVIYCZNV-UHFFFAOYSA-N 1 2 343.807 2.174 20 10 EECDLO COC(=O)C[N@@H+](CCC1OCCCO1)Cc1cc(Cl)ccc1O ZINC000267899612 464942964 /nfs/dbraw/zinc/94/29/64/464942964.db2.gz AXRYYIRVIYCZNV-UHFFFAOYSA-N 1 2 343.807 2.174 20 10 EECDLO COCCc1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000729030777 576590185 /nfs/dbraw/zinc/59/01/85/576590185.db2.gz GMTPWXHIJHGWAO-UHFFFAOYSA-N 1 2 330.432 2.489 20 10 EECDLO COCCc1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000729030777 576590188 /nfs/dbraw/zinc/59/01/88/576590188.db2.gz GMTPWXHIJHGWAO-UHFFFAOYSA-N 1 2 330.432 2.489 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000730254309 577012171 /nfs/dbraw/zinc/01/21/71/577012171.db2.gz GKOGLLHOZPJEGN-UHFFFAOYSA-N 1 2 327.336 2.423 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000730254309 577012173 /nfs/dbraw/zinc/01/21/73/577012173.db2.gz GKOGLLHOZPJEGN-UHFFFAOYSA-N 1 2 327.336 2.423 20 10 EECDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768181434 577551684 /nfs/dbraw/zinc/55/16/84/577551684.db2.gz WKMVFMWVWYPFPK-MRXNPFEDSA-N 1 2 346.431 2.425 20 10 EECDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768181434 577551685 /nfs/dbraw/zinc/55/16/85/577551685.db2.gz WKMVFMWVWYPFPK-MRXNPFEDSA-N 1 2 346.431 2.425 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CC[C@@H](OC)C3)CC2)cc1 ZINC000752963714 577779235 /nfs/dbraw/zinc/77/92/35/577779235.db2.gz WRVWOAIZHPXPNX-QGZVFWFLSA-N 1 2 333.432 2.094 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N[C@@H](CO)CC3CC3)CC2)cc1 ZINC000755063297 577818892 /nfs/dbraw/zinc/81/88/92/577818892.db2.gz MRPLPRCLVKSXHQ-MRXNPFEDSA-N 1 2 347.459 2.124 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)cc(F)c1O ZINC000756434926 577844082 /nfs/dbraw/zinc/84/40/82/577844082.db2.gz ROQSMEYKIXQMTA-SCZZXKLOSA-N 1 2 334.185 2.360 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000756702782 577848854 /nfs/dbraw/zinc/84/88/54/577848854.db2.gz QECLXBHTZREUEX-INIZCTEOSA-N 1 2 341.459 2.494 20 10 EECDLO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC(C)(C)OC1=O ZINC000814178753 1199327728 /nfs/dbraw/zinc/32/77/28/1199327728.db2.gz BWNIOWZAOWPXTH-MRXNPFEDSA-N 1 2 336.407 2.188 20 10 EECDLO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC(C)(C)OC1=O ZINC000814178753 1199327731 /nfs/dbraw/zinc/32/77/31/1199327731.db2.gz BWNIOWZAOWPXTH-MRXNPFEDSA-N 1 2 336.407 2.188 20 10 EECDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(Br)cc2O)C1 ZINC000826013503 1200220038 /nfs/dbraw/zinc/22/00/38/1200220038.db2.gz VXFJOXRLWKVCCI-CYBMUJFWSA-N 1 2 346.196 2.488 20 10 EECDLO COc1ccc(N2CC[NH+](CN3C(=O)C(C)(C)[C@@H]3C3CC3)CC2)cc1 ZINC000811727633 1200269106 /nfs/dbraw/zinc/26/91/06/1200269106.db2.gz KTCKDSKKJWWRKF-SFHVURJKSA-N 1 2 343.471 2.422 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)c(OC)c1 ZINC000879463864 1201080921 /nfs/dbraw/zinc/08/09/21/1201080921.db2.gz SQSLLDJBNNJGPC-AWEZNQCLSA-N 1 2 349.475 2.129 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000882946122 1201981950 /nfs/dbraw/zinc/98/19/50/1201981950.db2.gz WTJKCWTYIHWRHP-GFCCVEGCSA-N 1 2 348.212 2.171 20 10 EECDLO NC(=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCCC1 ZINC000883003916 1201994405 /nfs/dbraw/zinc/99/44/05/1201994405.db2.gz NUGKDKCFUADFAJ-UHFFFAOYSA-N 1 2 345.212 2.429 20 10 EECDLO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883132772 1202018261 /nfs/dbraw/zinc/01/82/61/1202018261.db2.gz CSBUFTDOMZRZGM-NOZJJQNGSA-N 1 2 348.212 2.435 20 10 EECDLO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836634 1205180175 /nfs/dbraw/zinc/18/01/75/1205180175.db2.gz MJXXXUIESQGIIQ-KPZWWZAWSA-N 1 2 334.416 2.169 20 10 EECDLO CC[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836634 1205180177 /nfs/dbraw/zinc/18/01/77/1205180177.db2.gz MJXXXUIESQGIIQ-KPZWWZAWSA-N 1 2 334.416 2.169 20 10 EECDLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000858579858 1294158605 /nfs/dbraw/zinc/15/86/05/1294158605.db2.gz HTBMBUFOZKHCNP-YUMQZZPRSA-N 1 2 349.200 2.353 20 10 EECDLO COc1cc(C[NH2+]Cc2nc(N(C)C)no2)c(O)c(C(C)(C)C)c1 ZINC000825542923 1291774519 /nfs/dbraw/zinc/77/45/19/1291774519.db2.gz GMXIVJFKARAPDA-UHFFFAOYSA-N 1 2 334.420 2.437 20 10 EECDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)OC)cc1 ZINC000859600416 1294539446 /nfs/dbraw/zinc/53/94/46/1294539446.db2.gz CXRLJUPWCPSHGJ-DOTOQJQBSA-N 1 2 348.443 2.069 20 10 EECDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)OC)cc1 ZINC000859600416 1294539450 /nfs/dbraw/zinc/53/94/50/1294539450.db2.gz CXRLJUPWCPSHGJ-DOTOQJQBSA-N 1 2 348.443 2.069 20 10 EECDLO O=C([C@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1)N1CCCC12CC2 ZINC001277447022 1303084285 /nfs/dbraw/zinc/08/42/85/1303084285.db2.gz YTKRVAJCUVMVCN-QGZVFWFLSA-N 1 2 342.439 2.281 20 10 EECDLO COc1cccnc1N1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262891 1304057199 /nfs/dbraw/zinc/05/71/99/1304057199.db2.gz UWVMDBPBXJGUJQ-UHFFFAOYSA-N 1 2 349.818 2.477 20 10 EECDLO COC(=O)c1c(C[N@@H+]2CCC[C@]2(C)C(=O)OC)c2ccccc2n1C ZINC001232402435 1304107815 /nfs/dbraw/zinc/10/78/15/1304107815.db2.gz MZYQGCTWFCKOHY-LJQANCHMSA-N 1 2 344.411 2.492 20 10 EECDLO COC(=O)c1c(C[N@H+]2CCC[C@]2(C)C(=O)OC)c2ccccc2n1C ZINC001232402435 1304107817 /nfs/dbraw/zinc/10/78/17/1304107817.db2.gz MZYQGCTWFCKOHY-LJQANCHMSA-N 1 2 344.411 2.492 20 10 EECDLO C[N@H+](Cc1ncnn1CC(F)F)Cc1c(O)ccc2ccncc21 ZINC000782980527 1304168194 /nfs/dbraw/zinc/16/81/94/1304168194.db2.gz MVIXZVBTPIWOSR-UHFFFAOYSA-N 1 2 333.342 2.429 20 10 EECDLO C[N@@H+](Cc1ncnn1CC(F)F)Cc1c(O)ccc2ccncc21 ZINC000782980527 1304168197 /nfs/dbraw/zinc/16/81/97/1304168197.db2.gz MVIXZVBTPIWOSR-UHFFFAOYSA-N 1 2 333.342 2.429 20 10 EECDLO Oc1cc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc(O)c1O ZINC001233010294 1304326685 /nfs/dbraw/zinc/32/66/85/1304326685.db2.gz NXONEDPRTUPMLA-DGCLKSJQSA-N 1 2 339.285 2.031 20 10 EECDLO Oc1cc(C[N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc(O)c1O ZINC001233010294 1304326690 /nfs/dbraw/zinc/32/66/90/1304326690.db2.gz NXONEDPRTUPMLA-DGCLKSJQSA-N 1 2 339.285 2.031 20 10 EECDLO Oc1ccc(F)c(F)c1CN1CC[NH+](CCc2ccncc2)CC1 ZINC001233334443 1304434904 /nfs/dbraw/zinc/43/49/04/1304434904.db2.gz HCILVZHFDSHHEJ-UHFFFAOYSA-N 1 2 333.382 2.426 20 10 EECDLO O=C(Nc1ccccc1)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486029 1304478409 /nfs/dbraw/zinc/47/84/09/1304478409.db2.gz VIFBNIVOCUXMCW-UHFFFAOYSA-N 1 2 343.383 2.153 20 10 EECDLO CN1CC[C@H]([N@H+](C)Cc2cccc(I)c2O)C1 ZINC001237781212 1306086627 /nfs/dbraw/zinc/08/66/27/1306086627.db2.gz UKZODHCCUIDVPY-NSHDSACASA-N 1 2 346.212 2.133 20 10 EECDLO CN1CC[C@H]([N@@H+](C)Cc2cccc(I)c2O)C1 ZINC001237781212 1306086644 /nfs/dbraw/zinc/08/66/44/1306086644.db2.gz UKZODHCCUIDVPY-NSHDSACASA-N 1 2 346.212 2.133 20 10 EECDLO CN(Cc1cccc(I)c1O)[C@H]1CC[N@H+](C)C1 ZINC001237781212 1306086651 /nfs/dbraw/zinc/08/66/51/1306086651.db2.gz UKZODHCCUIDVPY-NSHDSACASA-N 1 2 346.212 2.133 20 10 EECDLO CN(Cc1cccc(I)c1O)[C@H]1CC[N@@H+](C)C1 ZINC001237781212 1306086661 /nfs/dbraw/zinc/08/66/61/1306086661.db2.gz UKZODHCCUIDVPY-NSHDSACASA-N 1 2 346.212 2.133 20 10 EECDLO COC(OC)c1cc(C)c[nH+]c1NCCc1cc(O)c(O)cc1O ZINC001157245057 1318517276 /nfs/dbraw/zinc/51/72/76/1318517276.db2.gz IDOTZPHGVODUBD-UHFFFAOYSA-N 1 2 334.372 2.453 20 10 EECDLO Oc1cc(O)c(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)cc1Cl ZINC001276618028 1324811977 /nfs/dbraw/zinc/81/19/77/1324811977.db2.gz WNRNMBPEWNMCGL-UHFFFAOYSA-N 1 2 333.819 2.397 20 10 EECDLO Oc1cc(O)c(CN2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)cc1Cl ZINC001276618028 1324811980 /nfs/dbraw/zinc/81/19/80/1324811980.db2.gz WNRNMBPEWNMCGL-UHFFFAOYSA-N 1 2 333.819 2.397 20 10 EECDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319913397 1332796247 /nfs/dbraw/zinc/79/62/47/1332796247.db2.gz RLKDSHWIHOHDDP-MSOLQXFVSA-N 1 2 332.444 2.439 20 10 EECDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319913397 1332796249 /nfs/dbraw/zinc/79/62/49/1332796249.db2.gz RLKDSHWIHOHDDP-MSOLQXFVSA-N 1 2 332.444 2.439 20 10 EECDLO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc(-c2nn[nH]n2)c1O ZINC001589977796 1349088868 /nfs/dbraw/zinc/08/88/68/1349088868.db2.gz JFAJBSKJGPRRKP-YLVFBTJISA-N 1 2 331.420 2.164 20 10 EECDLO CC[C@H]([NH2+]CC1(CF)CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590466612 1349341556 /nfs/dbraw/zinc/34/15/56/1349341556.db2.gz ZLAAYNQUMTYWLN-AWEZNQCLSA-N 1 2 349.410 2.379 20 10 EECDLO CC[C@@H]([NH2+]Cc1cccnc1OC)c1cccc(-c2nn[nH]n2)c1O ZINC001590470389 1349345214 /nfs/dbraw/zinc/34/52/14/1349345214.db2.gz WIEJIPBRSDWGJG-CQSZACIVSA-N 1 2 340.387 2.217 20 10 EECDLO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)cc1 ZINC001592196283 1349603323 /nfs/dbraw/zinc/60/33/23/1349603323.db2.gz LMVPDPBRSQQNQH-WBMJQRKESA-N 1 2 339.399 2.265 20 10 EECDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129426 1372464229 /nfs/dbraw/zinc/46/42/29/1372464229.db2.gz ZKANFHVXAJGSCX-GFCCVEGCSA-N 1 2 331.368 2.192 20 10 EECDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129426 1372464234 /nfs/dbraw/zinc/46/42/34/1372464234.db2.gz ZKANFHVXAJGSCX-GFCCVEGCSA-N 1 2 331.368 2.192 20 10 EECDLO FC1(F)C[NH2+]CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001211348389 759375722 /nfs/dbraw/zinc/37/57/22/759375722.db2.gz ZNESWQHQGCWOJA-UHFFFAOYSA-N 1 2 345.821 2.217 20 10 EECDLO CCOC(=O)C[N@H+](CCn1nc(C)cc1C)Cc1ccccc1O ZINC000823576524 787803257 /nfs/dbraw/zinc/80/32/57/787803257.db2.gz RHTGXMXFUWAAPD-UHFFFAOYSA-N 1 2 331.416 2.271 20 10 EECDLO CCOC(=O)C[N@@H+](CCn1nc(C)cc1C)Cc1ccccc1O ZINC000823576524 787803272 /nfs/dbraw/zinc/80/32/72/787803272.db2.gz RHTGXMXFUWAAPD-UHFFFAOYSA-N 1 2 331.416 2.271 20 10 EECDLO O=C(NCc1cc(Cl)ccc1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000846474177 790193514 /nfs/dbraw/zinc/19/35/14/790193514.db2.gz RTKHXBHMIHKQGV-OAHLLOKOSA-N 1 2 338.835 2.305 20 10 EECDLO O=C(NCc1cc(Cl)ccc1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000846474177 790193517 /nfs/dbraw/zinc/19/35/17/790193517.db2.gz RTKHXBHMIHKQGV-OAHLLOKOSA-N 1 2 338.835 2.305 20 10 EECDLO O=C(c1cccc(O)c1O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001148218995 792254173 /nfs/dbraw/zinc/25/41/73/792254173.db2.gz QNQPQUSMZMSJFJ-CYBMUJFWSA-N 1 2 326.343 2.043 20 10 EECDLO COc1ccc(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000917361150 798194015 /nfs/dbraw/zinc/19/40/15/798194015.db2.gz SOKOZNJTOBPDAC-HNNXBMFYSA-N 1 2 328.416 2.192 20 10 EECDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093413541 237046376 /nfs/dbraw/zinc/04/63/76/237046376.db2.gz PMHCVTJYSJTCEU-AWEZNQCLSA-N 1 2 341.411 2.395 20 10 EECDLO COc1cccc(S(=O)(=O)CC[N@H+](C)Cc2ccccc2O)c1 ZINC000109773778 533680014 /nfs/dbraw/zinc/68/00/14/533680014.db2.gz UMXWRAOJNXPWNT-UHFFFAOYSA-N 1 2 335.425 2.307 20 10 EECDLO COc1cccc(S(=O)(=O)CC[N@@H+](C)Cc2ccccc2O)c1 ZINC000109773778 533680023 /nfs/dbraw/zinc/68/00/23/533680023.db2.gz UMXWRAOJNXPWNT-UHFFFAOYSA-N 1 2 335.425 2.307 20 10 EECDLO CCn1cc[nH+]c1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000297311568 465252313 /nfs/dbraw/zinc/25/23/13/465252313.db2.gz VPEDVUPPJHQSFN-VMPITWQZSA-N 1 2 340.427 2.069 20 10 EECDLO Oc1ccc(Br)cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000157873786 463180390 /nfs/dbraw/zinc/18/03/90/463180390.db2.gz IAWHIXLATKZKBR-UHFFFAOYSA-N 1 2 349.232 2.267 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000069846205 463337721 /nfs/dbraw/zinc/33/77/21/463337721.db2.gz UXIAFLKZFUMYHC-GASCZTMLSA-N 1 2 347.459 2.483 20 10 EECDLO CCC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OC ZINC000278895174 464007152 /nfs/dbraw/zinc/00/71/52/464007152.db2.gz QFKAOBQQIRAWTA-HNNXBMFYSA-N 1 2 326.349 2.130 20 10 EECDLO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3O)CC2)cc1 ZINC000289793330 464095362 /nfs/dbraw/zinc/09/53/62/464095362.db2.gz MCLGRBFCYMTNLD-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO CC(=O)NCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272874765 464693209 /nfs/dbraw/zinc/69/32/09/464693209.db2.gz MQPMVXMGCWKBFZ-CYBMUJFWSA-N 1 2 336.432 2.061 20 10 EECDLO CC(=O)NCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272874765 464693214 /nfs/dbraw/zinc/69/32/14/464693214.db2.gz MQPMVXMGCWKBFZ-CYBMUJFWSA-N 1 2 336.432 2.061 20 10 EECDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000273603390 464722095 /nfs/dbraw/zinc/72/20/95/464722095.db2.gz LRWMFGVHCNZYRO-LBPRGKRZSA-N 1 2 347.488 2.222 20 10 EECDLO CC(=O)N1CCN(c2ccc(CNc3cc(C)[nH+]cn3)cc2)CC1 ZINC000302708521 466169265 /nfs/dbraw/zinc/16/92/65/466169265.db2.gz KNIDMOHIYYEGAO-UHFFFAOYSA-N 1 2 325.416 2.066 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000777666910 577484497 /nfs/dbraw/zinc/48/44/97/577484497.db2.gz LVBBSOCDNFZDBX-HNNXBMFYSA-N 1 2 327.432 2.106 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777667784 577484534 /nfs/dbraw/zinc/48/45/34/577484534.db2.gz RMOFOTDXEBOAFV-HNNXBMFYSA-N 1 2 327.432 2.072 20 10 EECDLO Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c[nH+]1 ZINC000767945071 577547773 /nfs/dbraw/zinc/54/77/73/577547773.db2.gz BZQLGNITTXLYGK-UHFFFAOYSA-N 1 2 340.427 2.279 20 10 EECDLO COCCc1noc(C[N@H+](C)Cc2c(O)ccc3ccncc32)n1 ZINC000758402684 577623927 /nfs/dbraw/zinc/62/39/27/577623927.db2.gz CLRMCEKWEOALDN-UHFFFAOYSA-N 1 2 328.372 2.144 20 10 EECDLO COCCc1noc(C[N@@H+](C)Cc2c(O)ccc3ccncc32)n1 ZINC000758402684 577623928 /nfs/dbraw/zinc/62/39/28/577623928.db2.gz CLRMCEKWEOALDN-UHFFFAOYSA-N 1 2 328.372 2.144 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)[C@@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000763442513 577721226 /nfs/dbraw/zinc/72/12/26/577721226.db2.gz STSDHULUEUZJSY-PKOBYXMFSA-N 1 2 330.428 2.207 20 10 EECDLO COC(=O)c1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000894201297 681216607 /nfs/dbraw/zinc/21/66/07/681216607.db2.gz XZRGSDNFTRPUOG-UHFFFAOYSA-N 1 2 347.440 2.056 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1O ZINC001273304561 1198004530 /nfs/dbraw/zinc/00/45/30/1198004530.db2.gz NXKFNUQACYTEOB-BFUOFWGJSA-N 1 2 348.418 2.466 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1O ZINC001273304561 1198004537 /nfs/dbraw/zinc/00/45/37/1198004537.db2.gz NXKFNUQACYTEOB-BFUOFWGJSA-N 1 2 348.418 2.466 20 10 EECDLO COc1ccc(N2CC[NH+](CCOCC(F)(F)F)CC2)c(OC)c1 ZINC000879463754 1201081372 /nfs/dbraw/zinc/08/13/72/1201081372.db2.gz OKHOATRMTMQNSL-UHFFFAOYSA-N 1 2 348.365 2.405 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000882990981 1201992312 /nfs/dbraw/zinc/99/23/12/1201992312.db2.gz HWPSZBFSSRQKPD-SNVBAGLBSA-N 1 2 348.212 2.437 20 10 EECDLO CN1C[C@@]2(F)C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@]2(F)C1=O ZINC001274121899 1204388258 /nfs/dbraw/zinc/38/82/58/1204388258.db2.gz UZQBPZMKUCMIFX-QZTJIDSGSA-N 1 2 338.398 2.394 20 10 EECDLO CN1C[C@@]2(F)C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@]2(F)C1=O ZINC001274121899 1204388263 /nfs/dbraw/zinc/38/82/63/1204388263.db2.gz UZQBPZMKUCMIFX-QZTJIDSGSA-N 1 2 338.398 2.394 20 10 EECDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275306964 1205305186 /nfs/dbraw/zinc/30/51/86/1205305186.db2.gz UQBARTHMMQQDKD-GJZGRUSLSA-N 1 2 339.386 2.437 20 10 EECDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)cc(F)cc1F ZINC001275306964 1205305188 /nfs/dbraw/zinc/30/51/88/1205305188.db2.gz UQBARTHMMQQDKD-GJZGRUSLSA-N 1 2 339.386 2.437 20 10 EECDLO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Br)cc(F)c1O ZINC000858548194 1294151306 /nfs/dbraw/zinc/15/13/06/1294151306.db2.gz KFOMINIBSVBKHQ-MWLCHTKSSA-N 1 2 347.228 2.011 20 10 EECDLO COCCOC[NH+]1CC2(C1)CCN(c1ccc(OC)c(F)c1)CC2 ZINC001277010629 1300803344 /nfs/dbraw/zinc/80/33/44/1300803344.db2.gz VKAJTXKZAHBGDM-UHFFFAOYSA-N 1 2 338.423 2.357 20 10 EECDLO O=C(NCC(F)F)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277457139 1303227360 /nfs/dbraw/zinc/22/73/60/1303227360.db2.gz HEZGCPPIQXUWAG-ZUZCIYMTSA-N 1 2 330.762 2.391 20 10 EECDLO O=C(NCC(F)F)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001277457139 1303227367 /nfs/dbraw/zinc/22/73/67/1303227367.db2.gz HEZGCPPIQXUWAG-ZUZCIYMTSA-N 1 2 330.762 2.391 20 10 EECDLO CC1(C(N)=O)CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235304546 1305183899 /nfs/dbraw/zinc/18/38/99/1305183899.db2.gz YXHRXRKOLFBDBN-UHFFFAOYSA-N 1 2 345.212 2.381 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c(Cl)c1 ZINC001236806274 1305683599 /nfs/dbraw/zinc/68/35/99/1305683599.db2.gz SRQCPELFKWKOFW-VXGBXAGGSA-N 1 2 340.851 2.348 20 10 EECDLO COC(=O)C1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139125606 1314707756 /nfs/dbraw/zinc/70/77/56/1314707756.db2.gz XSBGDSSQFHIVHR-UHFFFAOYSA-N 1 2 331.368 2.192 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1)N1CCCC1 ZINC001142531073 1315652414 /nfs/dbraw/zinc/65/24/14/1315652414.db2.gz OSSCEGJKTCFZFR-CYBMUJFWSA-N 1 2 339.386 2.440 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1)N1CCCC1 ZINC001142531073 1315652419 /nfs/dbraw/zinc/65/24/19/1315652419.db2.gz OSSCEGJKTCFZFR-CYBMUJFWSA-N 1 2 339.386 2.440 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3cnc(C)cn3)CC2)cc1 ZINC001207080914 1323835555 /nfs/dbraw/zinc/83/55/55/1323835555.db2.gz FBDLVQHKZZOFLQ-UHFFFAOYSA-N 1 2 342.443 2.132 20 10 EECDLO CC(C)N(CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)C(C)C ZINC001589960923 1349082271 /nfs/dbraw/zinc/08/22/71/1349082271.db2.gz KVJXKNNJLFZAOX-CYBMUJFWSA-N 1 2 332.452 2.342 20 10 EECDLO C[C@H]([NH2+]Cc1nc(-c2nn[nH]n2)cs1)c1ccc(N(C)C)cc1 ZINC001603672628 1350739513 /nfs/dbraw/zinc/73/95/13/1350739513.db2.gz VMGIDWAQPMWKIN-JTQLQIEISA-N 1 2 329.433 2.240 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000830240002 1372322120 /nfs/dbraw/zinc/32/21/20/1372322120.db2.gz FFLSPIMEIAVVPF-IBGZPJMESA-N 1 2 345.487 2.212 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000830240002 1372322126 /nfs/dbraw/zinc/32/21/26/1372322126.db2.gz FFLSPIMEIAVVPF-IBGZPJMESA-N 1 2 345.487 2.212 20 10 EECDLO CN(c1ccc2[nH]c[nH+]c2c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001209846612 757502101 /nfs/dbraw/zinc/50/21/01/757502101.db2.gz HRMNAAZRXFLVLN-UHFFFAOYSA-N 1 2 330.413 2.154 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)c(F)cc1O ZINC000840826134 783020624 /nfs/dbraw/zinc/02/06/24/783020624.db2.gz QNLWDLODMISWMS-BDAKNGLRSA-N 1 2 345.212 2.471 20 10 EECDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000894046713 780460155 /nfs/dbraw/zinc/46/01/55/780460155.db2.gz PSUKYYQXDRFNGT-KOLCDFICSA-N 1 2 348.262 2.068 20 10 EECDLO O=C(NCc1cc(Cl)ccc1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000846474175 790193580 /nfs/dbraw/zinc/19/35/80/790193580.db2.gz RTKHXBHMIHKQGV-HNNXBMFYSA-N 1 2 338.835 2.305 20 10 EECDLO O=C(NCc1cc(Cl)ccc1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000846474175 790193583 /nfs/dbraw/zinc/19/35/83/790193583.db2.gz RTKHXBHMIHKQGV-HNNXBMFYSA-N 1 2 338.835 2.305 20 10 EECDLO Cc1cc(C(=O)C[N@H+](CCO)CCCO)c(C)n1-c1cccc(C)c1 ZINC000085795956 796657346 /nfs/dbraw/zinc/65/73/46/796657346.db2.gz JYSYIIXOHSLLEB-UHFFFAOYSA-N 1 2 344.455 2.262 20 10 EECDLO Cc1cc(C(=O)C[N@@H+](CCO)CCCO)c(C)n1-c1cccc(C)c1 ZINC000085795956 796657349 /nfs/dbraw/zinc/65/73/49/796657349.db2.gz JYSYIIXOHSLLEB-UHFFFAOYSA-N 1 2 344.455 2.262 20 10 EECDLO CC[C@H](CN1CCOCC1)[NH2+]Cc1cccc(Br)c1O ZINC000922590155 801432940 /nfs/dbraw/zinc/43/29/40/801432940.db2.gz POQBXABNXSTZDQ-CYBMUJFWSA-N 1 2 343.265 2.355 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(OCC)ccc1O)C1CCOCC1 ZINC000789578155 808070505 /nfs/dbraw/zinc/07/05/05/808070505.db2.gz BMPQJVSQTCJQPI-KRWDZBQOSA-N 1 2 337.416 2.239 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1cccc(OCC)c1O)C1CCOCC1 ZINC000789580729 808072554 /nfs/dbraw/zinc/07/25/54/808072554.db2.gz NTIMVJMIDOTIFR-MRXNPFEDSA-N 1 2 337.416 2.239 20 10 EECDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000376091446 238282978 /nfs/dbraw/zinc/28/29/78/238282978.db2.gz COIRNKBJGGTTQG-HZRUHFOJSA-N 1 2 327.384 2.251 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCOC(C)(C)C3)CC2)cc1 ZINC000069661625 463298806 /nfs/dbraw/zinc/29/88/06/463298806.db2.gz NITIYDYVABRHNC-UHFFFAOYSA-N 1 2 347.459 2.484 20 10 EECDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[S@@](=O)C1 ZINC000277612911 463923753 /nfs/dbraw/zinc/92/37/53/463923753.db2.gz WNJDOUXCJXJJHJ-MLCYQJTMSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[S@@](=O)C1 ZINC000277612911 463923757 /nfs/dbraw/zinc/92/37/57/463923757.db2.gz WNJDOUXCJXJJHJ-MLCYQJTMSA-N 1 2 332.263 2.355 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000278209944 463957297 /nfs/dbraw/zinc/95/72/97/463957297.db2.gz KDQFQDKAZRUJSC-INIZCTEOSA-N 1 2 344.367 2.401 20 10 EECDLO COc1c(O)c(C[N@H+]2CCc3ccccc3[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000278209944 463957311 /nfs/dbraw/zinc/95/73/11/463957311.db2.gz KDQFQDKAZRUJSC-INIZCTEOSA-N 1 2 344.367 2.401 20 10 EECDLO COC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000188338380 464258600 /nfs/dbraw/zinc/25/86/00/464258600.db2.gz SUWOVVDTNPJHIV-ZWNOBZJWSA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000188338380 464258604 /nfs/dbraw/zinc/25/86/04/464258604.db2.gz SUWOVVDTNPJHIV-ZWNOBZJWSA-N 1 2 330.222 2.390 20 10 EECDLO C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1n1cc[nH+]c1 ZINC000181194584 464455796 /nfs/dbraw/zinc/45/57/96/464455796.db2.gz ZFSGQKCBUOSPMP-YQRAZLAVSA-N 1 2 327.384 2.417 20 10 EECDLO C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400684 464714416 /nfs/dbraw/zinc/71/44/16/464714416.db2.gz MXOSWUNTJNRZMX-MCIONIFRSA-N 1 2 337.420 2.450 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000274610802 464749774 /nfs/dbraw/zinc/74/97/74/464749774.db2.gz WWIUPKZXTRAIHU-LJQANCHMSA-N 1 2 345.487 2.212 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000274610802 464749778 /nfs/dbraw/zinc/74/97/78/464749778.db2.gz WWIUPKZXTRAIHU-LJQANCHMSA-N 1 2 345.487 2.212 20 10 EECDLO Oc1cc2c(cc1C[N@@H+]1CCc3nc(C4CC4)ncc3C1)[C@H](O)CO2 ZINC000530107192 467951012 /nfs/dbraw/zinc/95/10/12/467951012.db2.gz XIIOAISMLHPDJU-QGZVFWFLSA-N 1 2 339.395 2.044 20 10 EECDLO Oc1cc2c(cc1C[N@H+]1CCc3nc(C4CC4)ncc3C1)[C@H](O)CO2 ZINC000530107192 467951013 /nfs/dbraw/zinc/95/10/13/467951013.db2.gz XIIOAISMLHPDJU-QGZVFWFLSA-N 1 2 339.395 2.044 20 10 EECDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122042117 528538058 /nfs/dbraw/zinc/53/80/58/528538058.db2.gz PEBUMOMRMAZUHI-AWEZNQCLSA-N 1 2 337.439 2.261 20 10 EECDLO COC[C@@H](C)NC(=S)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726493001 576269220 /nfs/dbraw/zinc/26/92/20/576269220.db2.gz IPCPEDLNORJRAK-CYBMUJFWSA-N 1 2 337.489 2.163 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3cnc(C)cn3)CC2)cc1 ZINC000726562478 576277425 /nfs/dbraw/zinc/27/74/25/576277425.db2.gz NUIBFIFMDPVRPB-UHFFFAOYSA-N 1 2 326.400 2.192 20 10 EECDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000729305206 576627443 /nfs/dbraw/zinc/62/74/43/576627443.db2.gz GPRPYZGXPDZMON-UHFFFAOYSA-N 1 2 342.443 2.159 20 10 EECDLO CCn1nccc1C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000772944191 577306965 /nfs/dbraw/zinc/30/69/65/577306965.db2.gz FDYYDXQDLDNQBN-UHFFFAOYSA-N 1 2 328.416 2.310 20 10 EECDLO COc1ccc(N2CCN(C(=O)Nc3cc(C)[nH+]cc3C)CC2)cc1 ZINC000767937588 577547591 /nfs/dbraw/zinc/54/75/91/577547591.db2.gz ICLRXGFRXLPHBA-UHFFFAOYSA-N 1 2 340.427 2.483 20 10 EECDLO COC(=O)C[C@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCCOC1 ZINC000770678819 577601549 /nfs/dbraw/zinc/60/15/49/577601549.db2.gz OOZOOEGJRCWUIG-OAHLLOKOSA-N 1 2 331.771 2.387 20 10 EECDLO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(F)cc(F)c1O ZINC000756865235 577851923 /nfs/dbraw/zinc/85/19/23/577851923.db2.gz PEALKNMSMZGJCB-JQWIXIFHSA-N 1 2 329.343 2.243 20 10 EECDLO COC[C@H]1CCN(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)C1 ZINC000740480259 578095726 /nfs/dbraw/zinc/09/57/26/578095726.db2.gz RJKVNRDUZXWFQI-HNNXBMFYSA-N 1 2 347.459 2.342 20 10 EECDLO Cc1ccc(C[N@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001272766328 1193488032 /nfs/dbraw/zinc/48/80/32/1193488032.db2.gz OSDZDLSTTMRKMM-ZWKOTPCHSA-N 1 2 338.398 2.431 20 10 EECDLO Cc1ccc(C[N@@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001272766328 1193488036 /nfs/dbraw/zinc/48/80/36/1193488036.db2.gz OSDZDLSTTMRKMM-ZWKOTPCHSA-N 1 2 338.398 2.431 20 10 EECDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825955725 1199902184 /nfs/dbraw/zinc/90/21/84/1199902184.db2.gz PTZVIHIILAXKQI-ZDUSSCGKSA-N 1 2 330.222 2.392 20 10 EECDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(Br)cc1O ZINC000825955725 1199902187 /nfs/dbraw/zinc/90/21/87/1199902187.db2.gz PTZVIHIILAXKQI-ZDUSSCGKSA-N 1 2 330.222 2.392 20 10 EECDLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)n1-c1ccccn1 ZINC000779095497 1208501846 /nfs/dbraw/zinc/50/18/46/1208501846.db2.gz KPCSYQOTPVJNLG-HNNXBMFYSA-N 1 2 335.411 2.430 20 10 EECDLO Oc1cc2c(cc1C[N@@H+]1CCOc3cccc(F)c3C1)[C@@H](O)CO2 ZINC000800856548 1234680987 /nfs/dbraw/zinc/68/09/87/1234680987.db2.gz ZPWFPMFXNZSVAF-INIZCTEOSA-N 1 2 331.343 2.352 20 10 EECDLO Oc1cc2c(cc1C[N@H+]1CCOc3cccc(F)c3C1)[C@@H](O)CO2 ZINC000800856548 1234680993 /nfs/dbraw/zinc/68/09/93/1234680993.db2.gz ZPWFPMFXNZSVAF-INIZCTEOSA-N 1 2 331.343 2.352 20 10 EECDLO COc1cc(C[NH2+][C@H](C(N)=O)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000850312737 1277162876 /nfs/dbraw/zinc/16/28/76/1277162876.db2.gz ZZWHFRWPGOZIGH-INIZCTEOSA-N 1 2 343.427 2.410 20 10 EECDLO Cc1cccc(C[NH+]2CC3(C2)CN(CC2CCCC2)C(=O)CO3)c1O ZINC001273769395 1285263424 /nfs/dbraw/zinc/26/34/24/1285263424.db2.gz JBNLDGGFRKAXOM-UHFFFAOYSA-N 1 2 344.455 2.304 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(O)cc1O)C2 ZINC001231638704 1303875495 /nfs/dbraw/zinc/87/54/95/1303875495.db2.gz DSPCHBIANJEOAL-UHFFFAOYSA-N 1 2 329.352 2.409 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(OC)c(O)cc1O)C2 ZINC001231638704 1303875513 /nfs/dbraw/zinc/87/55/13/1303875513.db2.gz DSPCHBIANJEOAL-UHFFFAOYSA-N 1 2 329.352 2.409 20 10 EECDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001231855351 1303932196 /nfs/dbraw/zinc/93/21/96/1303932196.db2.gz RGVOEOJJDZLTPR-UHFFFAOYSA-N 1 2 333.476 2.452 20 10 EECDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202659 1304036475 /nfs/dbraw/zinc/03/64/75/1304036475.db2.gz DOMAXUQPKXMGBN-INIZCTEOSA-N 1 2 337.851 2.016 20 10 EECDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202659 1304036480 /nfs/dbraw/zinc/03/64/80/1304036480.db2.gz DOMAXUQPKXMGBN-INIZCTEOSA-N 1 2 337.851 2.016 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454363 1304469563 /nfs/dbraw/zinc/46/95/63/1304469563.db2.gz RVTVEWSQIYMARW-CYBMUJFWSA-N 1 2 333.306 2.175 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454363 1304469568 /nfs/dbraw/zinc/46/95/68/1304469568.db2.gz RVTVEWSQIYMARW-CYBMUJFWSA-N 1 2 333.306 2.175 20 10 EECDLO COC(=O)N1CCC[N@H+](Cc2ccc(OC)c(Cl)c2O)CC1 ZINC001236801684 1305681328 /nfs/dbraw/zinc/68/13/28/1305681328.db2.gz LOVSADGZAMCNGO-UHFFFAOYSA-N 1 2 328.796 2.328 20 10 EECDLO COC(=O)N1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2O)CC1 ZINC001236801684 1305681334 /nfs/dbraw/zinc/68/13/34/1305681334.db2.gz LOVSADGZAMCNGO-UHFFFAOYSA-N 1 2 328.796 2.328 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CCC(=O)O2)CC1 ZINC001139129369 1314708111 /nfs/dbraw/zinc/70/81/11/1314708111.db2.gz XHVISCJSPFRXNN-UHFFFAOYSA-N 1 2 343.379 2.479 20 10 EECDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C[C@@H]21 ZINC001139132175 1314709324 /nfs/dbraw/zinc/70/93/24/1314709324.db2.gz UIBQCHJIQLJULK-LAQFHYBYSA-N 1 2 343.379 2.048 20 10 EECDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C[C@@H]21 ZINC001139132175 1314709325 /nfs/dbraw/zinc/70/93/25/1314709325.db2.gz UIBQCHJIQLJULK-LAQFHYBYSA-N 1 2 343.379 2.048 20 10 EECDLO C[C@@H]1CCCN(c2cc(NCCc3cc(O)c(O)cc3O)[nH+]cn2)C1 ZINC001157245343 1318516779 /nfs/dbraw/zinc/51/67/79/1318516779.db2.gz WKAZZJRCJJPJMH-GFCCVEGCSA-N 1 2 344.415 2.484 20 10 EECDLO C[C@@H]1CCCN(c2cc(NCCc3cc(O)c(O)cc3O)nc[nH+]2)C1 ZINC001157245343 1318516790 /nfs/dbraw/zinc/51/67/90/1318516790.db2.gz WKAZZJRCJJPJMH-GFCCVEGCSA-N 1 2 344.415 2.484 20 10 EECDLO C[C@H]1CCCN(c2cc(NCCc3cc(O)c(O)cc3O)[nH+]cn2)C1 ZINC001157245344 1318516890 /nfs/dbraw/zinc/51/68/90/1318516890.db2.gz WKAZZJRCJJPJMH-LBPRGKRZSA-N 1 2 344.415 2.484 20 10 EECDLO C[C@H]1CCCN(c2cc(NCCc3cc(O)c(O)cc3O)nc[nH+]2)C1 ZINC001157245344 1318516903 /nfs/dbraw/zinc/51/69/03/1318516903.db2.gz WKAZZJRCJJPJMH-LBPRGKRZSA-N 1 2 344.415 2.484 20 10 EECDLO O=C1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCN1C1CCOCC1 ZINC001204323001 1322112327 /nfs/dbraw/zinc/11/23/27/1322112327.db2.gz YQRJXBXIPIUDPM-UHFFFAOYSA-N 1 2 343.471 2.110 20 10 EECDLO O=C1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCN1C1CCOCC1 ZINC001204323001 1322112331 /nfs/dbraw/zinc/11/23/31/1322112331.db2.gz YQRJXBXIPIUDPM-UHFFFAOYSA-N 1 2 343.471 2.110 20 10 EECDLO O=C(c1ccc(O)c(O)c1Cl)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001276527118 1323949101 /nfs/dbraw/zinc/94/91/01/1323949101.db2.gz FONDDWWUYQDXMI-UHFFFAOYSA-N 1 2 347.802 2.037 20 10 EECDLO C[NH+]1CCN(c2ccc(CNc3[nH+]cccc3C(=O)[O-])cc2)CC1 ZINC000900991295 1331488542 /nfs/dbraw/zinc/48/85/42/1331488542.db2.gz SGHPWWHTKMKXCZ-UHFFFAOYSA-N 1 2 326.400 2.144 20 10 EECDLO CCOc1ccc(N2CC[NH+](Cc3cn4cccnc4n3)CC2)cc1 ZINC001319848450 1332783398 /nfs/dbraw/zinc/78/33/98/1332783398.db2.gz XVHAKVCDHQZTOA-UHFFFAOYSA-N 1 2 337.427 2.450 20 10 EECDLO COc1ccc(N2CCC(NC(=O)CCc3[nH+]ccn3C)CC2)cc1 ZINC001347568861 1337514048 /nfs/dbraw/zinc/51/40/48/1337514048.db2.gz YHEXDMVQNMCDHF-UHFFFAOYSA-N 1 2 342.443 2.147 20 10 EECDLO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589951889 1349077102 /nfs/dbraw/zinc/07/71/02/1349077102.db2.gz HPXBEFLDFZTFSS-GHJWDPDVSA-N 1 2 343.431 2.428 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603656306 1350735849 /nfs/dbraw/zinc/73/58/49/1350735849.db2.gz GCJAAVKBEISRNF-NEPJUHHUSA-N 1 2 331.420 2.428 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001139130389 1372464484 /nfs/dbraw/zinc/46/44/84/1372464484.db2.gz CTGSTECLXSLLOF-GANFFNEQSA-N 1 2 327.380 2.416 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001139130389 1372464488 /nfs/dbraw/zinc/46/44/88/1372464488.db2.gz CTGSTECLXSLLOF-GANFFNEQSA-N 1 2 327.380 2.416 20 10 EECDLO C[N@H+](CC(=O)NCc1cccs1)Cc1cc(F)cc(F)c1O ZINC000894027074 780443392 /nfs/dbraw/zinc/44/33/92/780443392.db2.gz QUDYXEKZWLLTLJ-UHFFFAOYSA-N 1 2 326.368 2.480 20 10 EECDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1cc(F)cc(F)c1O ZINC000894027074 780443399 /nfs/dbraw/zinc/44/33/99/780443399.db2.gz QUDYXEKZWLLTLJ-UHFFFAOYSA-N 1 2 326.368 2.480 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1Br ZINC001237678710 782084788 /nfs/dbraw/zinc/08/47/88/782084788.db2.gz LITYOHIGWUETDB-LLVKDONJSA-N 1 2 348.262 2.082 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1Br ZINC001237678710 782084793 /nfs/dbraw/zinc/08/47/93/782084793.db2.gz LITYOHIGWUETDB-LLVKDONJSA-N 1 2 348.262 2.082 20 10 EECDLO CN(C)c1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1F ZINC000292818808 464352793 /nfs/dbraw/zinc/35/27/93/464352793.db2.gz PPWNNXNRSDICOF-UHFFFAOYSA-N 1 2 328.453 2.148 20 10 EECDLO CCNC(=O)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000121552900 463156207 /nfs/dbraw/zinc/15/62/07/463156207.db2.gz ACJBDZCIPDIWBL-UHFFFAOYSA-N 1 2 342.237 2.002 20 10 EECDLO CC(=O)N1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000124505490 463430842 /nfs/dbraw/zinc/43/08/42/463430842.db2.gz ZCRQRIOMBNWALN-UHFFFAOYSA-N 1 2 327.222 2.127 20 10 EECDLO Cc1[nH]c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c[nH+]1 ZINC000264762353 464455238 /nfs/dbraw/zinc/45/52/38/464455238.db2.gz UKUZFBRABOSEJK-TXEJJXNPSA-N 1 2 346.406 2.401 20 10 EECDLO CS[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1N(C)C ZINC000272042988 464458886 /nfs/dbraw/zinc/45/88/86/464458886.db2.gz OZYMIEWTVYJONQ-CABCVRRESA-N 1 2 326.437 2.211 20 10 EECDLO CS[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1N(C)C ZINC000272042988 464458892 /nfs/dbraw/zinc/45/88/92/464458892.db2.gz OZYMIEWTVYJONQ-CABCVRRESA-N 1 2 326.437 2.211 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC000282815031 464959332 /nfs/dbraw/zinc/95/93/32/464959332.db2.gz SXNZUUSYYZGYIP-LBPRGKRZSA-N 1 2 348.262 2.082 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC000282815031 464959337 /nfs/dbraw/zinc/95/93/37/464959337.db2.gz SXNZUUSYYZGYIP-LBPRGKRZSA-N 1 2 348.262 2.082 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)c[nH+]1 ZINC000276559311 464979785 /nfs/dbraw/zinc/97/97/85/464979785.db2.gz IUZOJNRERZECHI-UHFFFAOYSA-N 1 2 333.363 2.408 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000349418124 466101470 /nfs/dbraw/zinc/10/14/70/466101470.db2.gz ACTZJTLKZAYTEC-AWEZNQCLSA-N 1 2 344.459 2.007 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000471827667 467976710 /nfs/dbraw/zinc/97/67/10/467976710.db2.gz RIYHGJPNRWRQNH-AWEZNQCLSA-N 1 2 344.459 2.007 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000471827667 467976711 /nfs/dbraw/zinc/97/67/11/467976711.db2.gz RIYHGJPNRWRQNH-AWEZNQCLSA-N 1 2 344.459 2.007 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000039561421 524423082 /nfs/dbraw/zinc/42/30/82/524423082.db2.gz HLSFCLKZSDMSPA-UHFFFAOYSA-N 1 2 345.468 2.195 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)/C=C/c3cnn(C)c3)CC2)cc1 ZINC000726560535 576274110 /nfs/dbraw/zinc/27/41/10/576274110.db2.gz BAEVEJIVIHQPRX-FPYGCLRLSA-N 1 2 340.427 2.227 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)Cc3cccnc3)CC2)cc1 ZINC000731841679 577126989 /nfs/dbraw/zinc/12/69/89/577126989.db2.gz LNLSTIOOIVVAHV-UHFFFAOYSA-N 1 2 325.412 2.418 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)cc1F ZINC000768299857 577553445 /nfs/dbraw/zinc/55/34/45/577553445.db2.gz NDTNTSJAADQLNH-UHFFFAOYSA-N 1 2 336.455 2.471 20 10 EECDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000769936281 577587448 /nfs/dbraw/zinc/58/74/48/577587448.db2.gz WDLXUSCPINHRRI-UHFFFAOYSA-N 1 2 328.203 2.385 20 10 EECDLO CNC(=O)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756483380 577844917 /nfs/dbraw/zinc/84/49/17/577844917.db2.gz MXZVWPLFTAJVNQ-QMMMGPOBSA-N 1 2 333.201 2.471 20 10 EECDLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc(F)cc(F)c1O ZINC000756490544 577844951 /nfs/dbraw/zinc/84/49/51/577844951.db2.gz PGWLKJBOJLSHIT-JTQLQIEISA-N 1 2 331.326 2.497 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCCOC[C@H]3C)CC2)cc1 ZINC000746333122 577926289 /nfs/dbraw/zinc/92/62/89/577926289.db2.gz OOMGQQRYEBQQJG-OAHLLOKOSA-N 1 2 347.459 2.484 20 10 EECDLO COCCc1noc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000160399350 676194560 /nfs/dbraw/zinc/19/45/60/676194560.db2.gz OQCDBRIWYQLCDY-UHFFFAOYSA-N 1 2 331.416 2.475 20 10 EECDLO COCCc1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000160399350 676194562 /nfs/dbraw/zinc/19/45/62/676194562.db2.gz OQCDBRIWYQLCDY-UHFFFAOYSA-N 1 2 331.416 2.475 20 10 EECDLO CCOc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000877775317 1200091954 /nfs/dbraw/zinc/09/19/54/1200091954.db2.gz LCGMMFKBMRKCGY-OAHLLOKOSA-N 1 2 346.349 2.434 20 10 EECDLO CCOc1cccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000877775317 1200091960 /nfs/dbraw/zinc/09/19/60/1200091960.db2.gz LCGMMFKBMRKCGY-OAHLLOKOSA-N 1 2 346.349 2.434 20 10 EECDLO O=C(CCc1ccc[nH]1)N1CCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001275906430 1205581513 /nfs/dbraw/zinc/58/15/13/1205581513.db2.gz YNYWHGOHYQFNCE-UHFFFAOYSA-N 1 2 343.402 2.279 20 10 EECDLO COCC[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862375451 1295814208 /nfs/dbraw/zinc/81/42/08/1295814208.db2.gz PPPFRVFEZGDKHT-LLVKDONJSA-N 1 2 330.222 2.392 20 10 EECDLO COCC[C@@H]1COCC[N@H+]1Cc1c(O)cccc1Br ZINC000862375451 1295814222 /nfs/dbraw/zinc/81/42/22/1295814222.db2.gz PPPFRVFEZGDKHT-LLVKDONJSA-N 1 2 330.222 2.392 20 10 EECDLO CN1CCO[C@]2(CCC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001276837637 1299854726 /nfs/dbraw/zinc/85/47/26/1299854726.db2.gz NVXPFGOGXLMRIX-MRXNPFEDSA-N 1 2 328.815 2.481 20 10 EECDLO CN1CCO[C@]2(CCC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001276837637 1299854741 /nfs/dbraw/zinc/85/47/41/1299854741.db2.gz NVXPFGOGXLMRIX-MRXNPFEDSA-N 1 2 328.815 2.481 20 10 EECDLO C[N@@H+]1CCO[C@]2(CCCN(Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001276837637 1299854750 /nfs/dbraw/zinc/85/47/50/1299854750.db2.gz NVXPFGOGXLMRIX-MRXNPFEDSA-N 1 2 328.815 2.481 20 10 EECDLO C[N@H+]1CCO[C@]2(CCCN(Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001276837637 1299854760 /nfs/dbraw/zinc/85/47/60/1299854760.db2.gz NVXPFGOGXLMRIX-MRXNPFEDSA-N 1 2 328.815 2.481 20 10 EECDLO CC(C)(C)NC(=O)[C@H]1CCn2nccc2C[N@@H+]1Cc1ccccc1O ZINC001277441453 1303030163 /nfs/dbraw/zinc/03/01/63/1303030163.db2.gz KQDUWZDNPQEJCA-MRXNPFEDSA-N 1 2 342.443 2.278 20 10 EECDLO CC(C)(C)NC(=O)[C@H]1CCn2nccc2C[N@H+]1Cc1ccccc1O ZINC001277441453 1303030169 /nfs/dbraw/zinc/03/01/69/1303030169.db2.gz KQDUWZDNPQEJCA-MRXNPFEDSA-N 1 2 342.443 2.278 20 10 EECDLO CCOc1cccc(C[N@@H+]2CCc3onc(C(=O)N(C)C)c3C2)c1O ZINC001277454703 1303181507 /nfs/dbraw/zinc/18/15/07/1303181507.db2.gz XUDPMFJVKPJYTL-UHFFFAOYSA-N 1 2 345.399 2.039 20 10 EECDLO CCOc1cccc(C[N@H+]2CCc3onc(C(=O)N(C)C)c3C2)c1O ZINC001277454703 1303181511 /nfs/dbraw/zinc/18/15/11/1303181511.db2.gz XUDPMFJVKPJYTL-UHFFFAOYSA-N 1 2 345.399 2.039 20 10 EECDLO CC(=O)N1CCC2(CC1)C[N@H+](Cc1cccc(Cl)c1O)CCO2 ZINC001231910366 1303944421 /nfs/dbraw/zinc/94/44/21/1303944421.db2.gz NXNZSGKHSIDSCS-UHFFFAOYSA-N 1 2 338.835 2.259 20 10 EECDLO CC(=O)N1CCC2(CC1)C[N@@H+](Cc1cccc(Cl)c1O)CCO2 ZINC001231910366 1303944422 /nfs/dbraw/zinc/94/44/22/1303944422.db2.gz NXNZSGKHSIDSCS-UHFFFAOYSA-N 1 2 338.835 2.259 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnc(OC)cn3)CC2)c(C)c1 ZINC001231941470 1303954252 /nfs/dbraw/zinc/95/42/52/1303954252.db2.gz STCSBOZHJPVZKM-UHFFFAOYSA-N 1 2 328.416 2.124 20 10 EECDLO Clc1cc(C[N@@H+]2CCC3(C2)OCCO3)ccc1N1CCOCC1 ZINC001232202980 1304038189 /nfs/dbraw/zinc/03/81/89/1304038189.db2.gz KSDOUGRBIXRGCU-UHFFFAOYSA-N 1 2 338.835 2.125 20 10 EECDLO Clc1cc(C[N@H+]2CCC3(C2)OCCO3)ccc1N1CCOCC1 ZINC001232202980 1304038194 /nfs/dbraw/zinc/03/81/94/1304038194.db2.gz KSDOUGRBIXRGCU-UHFFFAOYSA-N 1 2 338.835 2.125 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)cc1Cl ZINC001232266702 1304058761 /nfs/dbraw/zinc/05/87/61/1304058761.db2.gz RHUGLEWJVNUSAG-OWRWGESLSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)cc1Cl ZINC001232266702 1304058768 /nfs/dbraw/zinc/05/87/68/1304058768.db2.gz RHUGLEWJVNUSAG-OWRWGESLSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)cc1Cl ZINC001232271105 1304060762 /nfs/dbraw/zinc/06/07/62/1304060762.db2.gz NKACZJOQHMOHOX-TXEJJXNPSA-N 1 2 340.851 2.348 20 10 EECDLO CC(C)(C)NC(=O)c1noc2c1C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001277657202 1304102053 /nfs/dbraw/zinc/10/20/53/1304102053.db2.gz NTAGFSFSOFUYDF-UHFFFAOYSA-N 1 2 345.399 2.172 20 10 EECDLO CC(C)(C)NC(=O)c1noc2c1C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001277657202 1304102059 /nfs/dbraw/zinc/10/20/59/1304102059.db2.gz NTAGFSFSOFUYDF-UHFFFAOYSA-N 1 2 345.399 2.172 20 10 EECDLO COCC[NH+](CCOC)Cc1c(O)cc(Br)cc1F ZINC001233027756 1304334375 /nfs/dbraw/zinc/33/43/75/1304334375.db2.gz YFLILPGWVNZNNR-UHFFFAOYSA-N 1 2 336.201 2.389 20 10 EECDLO CC[N@@H+](CC(=O)OC)Cc1cc(Br)c(OC)cc1O ZINC001233143169 1304375176 /nfs/dbraw/zinc/37/51/76/1304375176.db2.gz ZBFFUATYHVZLON-UHFFFAOYSA-N 1 2 332.194 2.158 20 10 EECDLO CC[N@H+](CC(=O)OC)Cc1cc(Br)c(OC)cc1O ZINC001233143169 1304375170 /nfs/dbraw/zinc/37/51/70/1304375170.db2.gz ZBFFUATYHVZLON-UHFFFAOYSA-N 1 2 332.194 2.158 20 10 EECDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1)c1ccncc1 ZINC001233336470 1304436491 /nfs/dbraw/zinc/43/64/91/1304436491.db2.gz MSWAIAXNPIQYIZ-UHFFFAOYSA-N 1 2 347.365 2.460 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(CCF)CC2)c(Br)c1 ZINC001237073155 1305788915 /nfs/dbraw/zinc/78/89/15/1305788915.db2.gz OXNSPRXXRLQKFO-UHFFFAOYSA-N 1 2 347.228 2.250 20 10 EECDLO O=C1CC2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)CC(=O)N1 ZINC001237622333 1306011337 /nfs/dbraw/zinc/01/13/37/1306011337.db2.gz QYTUZDGNXCKNQB-UHFFFAOYSA-N 1 2 340.782 2.204 20 10 EECDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)cc(Cl)c2O)O1 ZINC001237799358 1306100212 /nfs/dbraw/zinc/10/02/12/1306100212.db2.gz HKPYLIZEYMBUAO-MCIONIFRSA-N 1 2 342.798 2.005 20 10 EECDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)cc(Cl)c2O)O1 ZINC001237799358 1306100218 /nfs/dbraw/zinc/10/02/18/1306100218.db2.gz HKPYLIZEYMBUAO-MCIONIFRSA-N 1 2 342.798 2.005 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000839920477 1315259849 /nfs/dbraw/zinc/25/98/49/1315259849.db2.gz AMJZYXXOWPNIDL-OAHLLOKOSA-N 1 2 328.460 2.475 20 10 EECDLO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000843123858 1315848604 /nfs/dbraw/zinc/84/86/04/1315848604.db2.gz QRFNKXUJCDCOII-GFCCVEGCSA-N 1 2 333.215 2.036 20 10 EECDLO C[N@@H+]1CCc2nc(C(=O)N3CCc4cccc(O)c4C3)sc2C1 ZINC001154219399 1316998707 /nfs/dbraw/zinc/99/87/07/1316998707.db2.gz VOJBUIPLAQTOHW-UHFFFAOYSA-N 1 2 329.425 2.035 20 10 EECDLO C[N@H+]1CCc2nc(C(=O)N3CCc4cccc(O)c4C3)sc2C1 ZINC001154219399 1316998710 /nfs/dbraw/zinc/99/87/10/1316998710.db2.gz VOJBUIPLAQTOHW-UHFFFAOYSA-N 1 2 329.425 2.035 20 10 EECDLO Cc1cc(C)c(CNC(=O)c2nc3c(s2)C[N@H+](C)CC3)c(O)c1 ZINC001154224387 1317001377 /nfs/dbraw/zinc/00/13/77/1317001377.db2.gz QZPQXQJGLLYONX-UHFFFAOYSA-N 1 2 331.441 2.383 20 10 EECDLO Cc1cc(C)c(CNC(=O)c2nc3c(s2)C[N@@H+](C)CC3)c(O)c1 ZINC001154224387 1317001381 /nfs/dbraw/zinc/00/13/81/1317001381.db2.gz QZPQXQJGLLYONX-UHFFFAOYSA-N 1 2 331.441 2.383 20 10 EECDLO Cc1cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c(O)cc1Br ZINC001250129162 1317217687 /nfs/dbraw/zinc/21/76/87/1317217687.db2.gz ZPYXEJQUCKCNSM-LLVKDONJSA-N 1 2 348.262 2.082 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC001324627205 1333726523 /nfs/dbraw/zinc/72/65/23/1333726523.db2.gz OBPKEDXAHUROBB-OAHLLOKOSA-N 1 2 328.416 2.192 20 10 EECDLO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589671111 1349018150 /nfs/dbraw/zinc/01/81/50/1349018150.db2.gz USPUOXILDVQMHB-GFCCVEGCSA-N 1 2 341.419 2.276 20 10 EECDLO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cccc(-c2nn[nH]n2)c1O ZINC001589977794 1349089357 /nfs/dbraw/zinc/08/93/57/1349089357.db2.gz JFAJBSKJGPRRKP-KHIZAZIESA-N 1 2 331.420 2.164 20 10 EECDLO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590446354 1349328139 /nfs/dbraw/zinc/32/81/39/1349328139.db2.gz ARZLMMRDSMQCIL-WCQYABFASA-N 1 2 331.420 2.428 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056572 1350841954 /nfs/dbraw/zinc/84/19/54/1350841954.db2.gz UYXIDJOTHDTHMA-HUBLWGQQSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ncco1 ZINC000926874825 1369855553 /nfs/dbraw/zinc/85/55/53/1369855553.db2.gz WEDBVHFBLYHEIO-ZDUSSCGKSA-N 1 2 328.416 2.227 20 10 EECDLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000840826643 783020520 /nfs/dbraw/zinc/02/05/20/783020520.db2.gz QWYVVUUHOAHPRJ-VSYUYLJXSA-N 1 2 334.185 2.358 20 10 EECDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809700300 783289358 /nfs/dbraw/zinc/28/93/58/783289358.db2.gz CCHMZHCWLMEFLF-SMDDNHRTSA-N 1 2 328.815 2.480 20 10 EECDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809700300 783289361 /nfs/dbraw/zinc/28/93/61/783289361.db2.gz CCHMZHCWLMEFLF-SMDDNHRTSA-N 1 2 328.815 2.480 20 10 EECDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cc(O)c(O)c(O)c1 ZINC001148588281 792573697 /nfs/dbraw/zinc/57/36/97/792573697.db2.gz QSRJKPNRPAXAIA-UHFFFAOYSA-N 1 2 339.351 2.261 20 10 EECDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715794177 795505199 /nfs/dbraw/zinc/50/51/99/795505199.db2.gz JALLOMMGJBOYOT-NTCNTBNZSA-N 1 2 338.242 2.493 20 10 EECDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715794177 795505210 /nfs/dbraw/zinc/50/52/10/795505210.db2.gz JALLOMMGJBOYOT-NTCNTBNZSA-N 1 2 338.242 2.493 20 10 EECDLO CCN1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000715829046 795537875 /nfs/dbraw/zinc/53/78/75/795537875.db2.gz REEQXRXALGOMDI-SNVBAGLBSA-N 1 2 331.185 2.004 20 10 EECDLO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715829096 795538167 /nfs/dbraw/zinc/53/81/67/795538167.db2.gz RRMMOOJKSVQWND-VIFPVBQESA-N 1 2 345.212 2.394 20 10 EECDLO Oc1c(Br)cccc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922798999 801933221 /nfs/dbraw/zinc/93/32/21/801933221.db2.gz NURXHIBVNWMWQK-UHFFFAOYSA-N 1 2 328.206 2.397 20 10 EECDLO CCOc1ccc(O)c(C[N@H+](C)Cc2ncnn2CC(F)F)c1 ZINC000279072933 464033138 /nfs/dbraw/zinc/03/31/38/464033138.db2.gz RCONSFULKJABDR-UHFFFAOYSA-N 1 2 326.347 2.280 20 10 EECDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2ncnn2CC(F)F)c1 ZINC000279072933 464033143 /nfs/dbraw/zinc/03/31/43/464033143.db2.gz RCONSFULKJABDR-UHFFFAOYSA-N 1 2 326.347 2.280 20 10 EECDLO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000289774656 464093808 /nfs/dbraw/zinc/09/38/08/464093808.db2.gz RKINQFHLEBNCHE-FZMZJTMJSA-N 1 2 346.880 2.243 20 10 EECDLO O=C(CCn1cc[nH+]c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298787449 465505622 /nfs/dbraw/zinc/50/56/22/465505622.db2.gz CIWXVOVSJKYVRG-INIZCTEOSA-N 1 2 329.400 2.187 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364912592 466720219 /nfs/dbraw/zinc/72/02/19/466720219.db2.gz BZZBWQDQXUFQCS-CQSZACIVSA-N 1 2 325.412 2.346 20 10 EECDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122041920 528523346 /nfs/dbraw/zinc/52/33/46/528523346.db2.gz PEBUMOMRMAZUHI-CQSZACIVSA-N 1 2 337.439 2.261 20 10 EECDLO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773114634 577316727 /nfs/dbraw/zinc/31/67/27/577316727.db2.gz YNAZMYZLVCDPOK-OAHLLOKOSA-N 1 2 348.491 2.224 20 10 EECDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000773732466 577361602 /nfs/dbraw/zinc/36/16/02/577361602.db2.gz APVMIIDIRQIPTR-UHFFFAOYSA-N 1 2 341.411 2.199 20 10 EECDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)C(=O)N1c1cnn(C)c1 ZINC000776224745 577454976 /nfs/dbraw/zinc/45/49/76/577454976.db2.gz VQGILCAKKMMZAN-IINYFYTJSA-N 1 2 334.807 2.063 20 10 EECDLO CCC[C@H]1NC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000777634042 577483672 /nfs/dbraw/zinc/48/36/72/577483672.db2.gz HWNRXDOKXXZSPZ-MRXNPFEDSA-N 1 2 331.416 2.385 20 10 EECDLO C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(N(C)C)cc1 ZINC000777638399 577483874 /nfs/dbraw/zinc/48/38/74/577483874.db2.gz VOIXGWIAEXADCC-ZFWWWQNUSA-N 1 2 327.432 2.324 20 10 EECDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3cccn3C)CC2)cc1F ZINC000768221069 577552250 /nfs/dbraw/zinc/55/22/50/577552250.db2.gz YRVHIYUCFRQKFU-UHFFFAOYSA-N 1 2 344.434 2.188 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000768451043 577555997 /nfs/dbraw/zinc/55/59/97/577555997.db2.gz LONULKNJCFMCGF-KRWDZBQOSA-N 1 2 341.363 2.120 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000768451043 577555998 /nfs/dbraw/zinc/55/59/98/577555998.db2.gz LONULKNJCFMCGF-KRWDZBQOSA-N 1 2 341.363 2.120 20 10 EECDLO CCN(CC)c1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000769480793 577578850 /nfs/dbraw/zinc/57/88/50/577578850.db2.gz PHQFQGLYBBXFRA-QHCPKHFHSA-N 1 2 337.533 2.029 20 10 EECDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000770356823 577594566 /nfs/dbraw/zinc/59/45/66/577594566.db2.gz ZSVPJJGXJYYMOP-MRXNPFEDSA-N 1 2 326.412 2.290 20 10 EECDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000770356823 577594567 /nfs/dbraw/zinc/59/45/67/577594567.db2.gz ZSVPJJGXJYYMOP-MRXNPFEDSA-N 1 2 326.412 2.290 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](CO)COC(C)C)c1O ZINC000763878454 577727359 /nfs/dbraw/zinc/72/73/59/577727359.db2.gz KPZIXNKIGMHYOJ-CQSZACIVSA-N 1 2 329.824 2.466 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](CO)COC(C)C)c1O ZINC000763878454 577727360 /nfs/dbraw/zinc/72/73/60/577727360.db2.gz KPZIXNKIGMHYOJ-CQSZACIVSA-N 1 2 329.824 2.466 20 10 EECDLO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC(=O)CS1 ZINC000751429089 577752262 /nfs/dbraw/zinc/75/22/62/577752262.db2.gz AFQWHDOXIZNJTE-UHFFFAOYSA-N 1 2 338.473 2.466 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCc3ccon3)CC2)cc1 ZINC000747510393 577945520 /nfs/dbraw/zinc/94/55/20/577945520.db2.gz ABDXKWJUVOHOEC-UHFFFAOYSA-N 1 2 330.388 2.151 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)[C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000749956260 577984720 /nfs/dbraw/zinc/98/47/20/577984720.db2.gz YODCPXWPJAGPTP-AWEZNQCLSA-N 1 2 342.443 2.317 20 10 EECDLO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000378944275 683089119 /nfs/dbraw/zinc/08/91/19/683089119.db2.gz KMVIYAKOFUVYGZ-UHFFFAOYSA-N 1 2 346.880 2.339 20 10 EECDLO CN1C[C@@H]([N@H+](C)Cc2cc(Br)cc(F)c2O)CCC1=O ZINC000895388521 684574117 /nfs/dbraw/zinc/57/41/17/684574117.db2.gz JHGQCLYECXAEEM-NSHDSACASA-N 1 2 345.212 2.346 20 10 EECDLO CN1C[C@@H]([N@@H+](C)Cc2cc(Br)cc(F)c2O)CCC1=O ZINC000895388521 684574120 /nfs/dbraw/zinc/57/41/20/684574120.db2.gz JHGQCLYECXAEEM-NSHDSACASA-N 1 2 345.212 2.346 20 10 EECDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109772160 689931220 /nfs/dbraw/zinc/93/12/20/689931220.db2.gz SITDVRHWHLICPU-GOSISDBHSA-N 1 2 340.423 2.141 20 10 EECDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772160 689931222 /nfs/dbraw/zinc/93/12/22/689931222.db2.gz SITDVRHWHLICPU-GOSISDBHSA-N 1 2 340.423 2.141 20 10 EECDLO O=C1N(Cc2cnoc2)CC[C@@]12CCC[N@H+]2Cc1c(O)cccc1F ZINC001273265527 1197887666 /nfs/dbraw/zinc/88/76/66/1197887666.db2.gz HIMYDCVLLOXISS-SFHVURJKSA-N 1 2 345.374 2.286 20 10 EECDLO O=C1N(Cc2cnoc2)CC[C@@]12CCC[N@@H+]2Cc1c(O)cccc1F ZINC001273265527 1197887673 /nfs/dbraw/zinc/88/76/73/1197887673.db2.gz HIMYDCVLLOXISS-SFHVURJKSA-N 1 2 345.374 2.286 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000872755052 1198370662 /nfs/dbraw/zinc/37/06/62/1198370662.db2.gz GPRXVWPYTCFZMT-OAHLLOKOSA-N 1 2 346.349 2.352 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000872755052 1198370668 /nfs/dbraw/zinc/37/06/68/1198370668.db2.gz GPRXVWPYTCFZMT-OAHLLOKOSA-N 1 2 346.349 2.352 20 10 EECDLO Nc1ccc(CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000877202092 1199880419 /nfs/dbraw/zinc/88/04/19/1199880419.db2.gz YOHXSUZMMCUPST-UHFFFAOYSA-N 1 2 342.468 2.076 20 10 EECDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825974723 1199952747 /nfs/dbraw/zinc/95/27/47/1199952747.db2.gz DFJJRNNJKNIKHH-JTQLQIEISA-N 1 2 348.262 2.021 20 10 EECDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825974723 1199952752 /nfs/dbraw/zinc/95/27/52/1199952752.db2.gz DFJJRNNJKNIKHH-JTQLQIEISA-N 1 2 348.262 2.021 20 10 EECDLO C[C@@H]1CN(CC[NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000882984507 1201991030 /nfs/dbraw/zinc/99/10/30/1201991030.db2.gz KPPXIAUKZZEREW-SNVBAGLBSA-N 1 2 347.228 2.104 20 10 EECDLO OCCC1([NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000883046100 1202002305 /nfs/dbraw/zinc/00/23/05/1202002305.db2.gz YAWNGFGISWNPBN-UHFFFAOYSA-N 1 2 348.212 2.315 20 10 EECDLO NC(=O)CC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883147197 1202021091 /nfs/dbraw/zinc/02/10/91/1202021091.db2.gz NRLKFBDVIUHAFJ-UHFFFAOYSA-N 1 2 331.185 2.039 20 10 EECDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001276360293 1214439061 /nfs/dbraw/zinc/43/90/61/1214439061.db2.gz RDTUWZUUEVAUEZ-AOOOYVTPSA-N 1 2 347.312 2.062 20 10 EECDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001276360293 1214439068 /nfs/dbraw/zinc/43/90/68/1214439068.db2.gz RDTUWZUUEVAUEZ-AOOOYVTPSA-N 1 2 347.312 2.062 20 10 EECDLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(C)n1-c1ccccn1 ZINC000857942541 1293960711 /nfs/dbraw/zinc/96/07/11/1293960711.db2.gz CIOJHHSFORHDMM-OAHLLOKOSA-N 1 2 335.411 2.430 20 10 EECDLO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Br)cc(F)c1O ZINC000858601793 1294164149 /nfs/dbraw/zinc/16/41/49/1294164149.db2.gz KFOMINIBSVBKHQ-KOLCDFICSA-N 1 2 347.228 2.011 20 10 EECDLO Cc1ccc(O)c(CNC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000862760986 1295954652 /nfs/dbraw/zinc/95/46/52/1295954652.db2.gz YYKDULXAPWDMAL-UHFFFAOYSA-N 1 2 340.423 2.463 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)c(C)c1 ZINC001233014693 1304328882 /nfs/dbraw/zinc/32/88/82/1304328882.db2.gz BINLJNWKDGZUGM-UHFFFAOYSA-N 1 2 344.411 2.443 20 10 EECDLO Oc1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c(O)cc1Br ZINC001236770921 1305670595 /nfs/dbraw/zinc/67/05/95/1305670595.db2.gz LPFXTCZBLXJKBD-JTQLQIEISA-N 1 2 345.212 2.088 20 10 EECDLO Oc1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c(O)cc1Br ZINC001236770921 1305670605 /nfs/dbraw/zinc/67/06/05/1305670605.db2.gz LPFXTCZBLXJKBD-JTQLQIEISA-N 1 2 345.212 2.088 20 10 EECDLO COc1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c(O)c1Cl ZINC001236817168 1305689447 /nfs/dbraw/zinc/68/94/47/1305689447.db2.gz DNDFQTMAMRNWEX-LBPRGKRZSA-N 1 2 335.791 2.498 20 10 EECDLO COc1ccc(C[N@H+]2CC[C@H](Oc3ncccn3)C2)c(O)c1Cl ZINC001236817168 1305689449 /nfs/dbraw/zinc/68/94/49/1305689449.db2.gz DNDFQTMAMRNWEX-LBPRGKRZSA-N 1 2 335.791 2.498 20 10 EECDLO O=C1[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2CN1CC1CC1 ZINC001237620486 1306008185 /nfs/dbraw/zinc/00/81/85/1306008185.db2.gz ZEMDFOYEZOWEGO-JSGCOSHPSA-N 1 2 338.810 2.485 20 10 EECDLO O=C1[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2CN1CC1CC1 ZINC001237620486 1306008197 /nfs/dbraw/zinc/00/81/97/1306008197.db2.gz ZEMDFOYEZOWEGO-JSGCOSHPSA-N 1 2 338.810 2.485 20 10 EECDLO Cc1cc(O)c(C[NH+]2CC(N3CC(F)C3)C2)cc1Br ZINC001237678158 1306041928 /nfs/dbraw/zinc/04/19/28/1306041928.db2.gz VIQDYPJFHMUSKT-UHFFFAOYSA-N 1 2 329.213 2.301 20 10 EECDLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC001138125172 1314549774 /nfs/dbraw/zinc/54/97/74/1314549774.db2.gz KAEIAAGSONFEKC-SFHVURJKSA-N 1 2 349.406 2.119 20 10 EECDLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC001138125172 1314549779 /nfs/dbraw/zinc/54/97/79/1314549779.db2.gz KAEIAAGSONFEKC-SFHVURJKSA-N 1 2 349.406 2.119 20 10 EECDLO COC(=O)[C@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140178375 1314828189 /nfs/dbraw/zinc/82/81/89/1314828189.db2.gz JXNIVCBBJLLSNX-DOMZBBRYSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)[C@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140178375 1314828193 /nfs/dbraw/zinc/82/81/93/1314828193.db2.gz JXNIVCBBJLLSNX-DOMZBBRYSA-N 1 2 347.333 2.050 20 10 EECDLO Oc1cc(F)cc(F)c1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001140581364 1314909530 /nfs/dbraw/zinc/90/95/30/1314909530.db2.gz PWVBFEVZROAISM-UHFFFAOYSA-N 1 2 348.397 2.479 20 10 EECDLO C[N@@H+]1CCc2ccc(NS(=O)(=O)c3cccc4nonc43)cc2C1 ZINC001260441837 1319890247 /nfs/dbraw/zinc/89/02/47/1319890247.db2.gz ATILZGGRDGPAHK-UHFFFAOYSA-N 1 2 344.396 2.012 20 10 EECDLO C[N@H+]1CCc2ccc(NS(=O)(=O)c3cccc4nonc43)cc2C1 ZINC001260441837 1319890258 /nfs/dbraw/zinc/89/02/58/1319890258.db2.gz ATILZGGRDGPAHK-UHFFFAOYSA-N 1 2 344.396 2.012 20 10 EECDLO [NH3+][C@H]1CN(Cc2cc(F)cc(Br)c2O)CCC1(F)F ZINC001206683016 1321437471 /nfs/dbraw/zinc/43/74/71/1321437471.db2.gz IAVPZMJVCOVKKD-JTQLQIEISA-N 1 2 339.155 2.462 20 10 EECDLO COC1(CC(=O)N2CCC23C[NH+](Cc2cccc(F)c2O)C3)CCC1 ZINC001276538656 1324006587 /nfs/dbraw/zinc/00/65/87/1324006587.db2.gz ZFXBZUZGCKCUBE-UHFFFAOYSA-N 1 2 348.418 2.277 20 10 EECDLO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589653250 1349015435 /nfs/dbraw/zinc/01/54/35/1349015435.db2.gz BGWIAYSSIQJUJF-OLZOCXBDSA-N 1 2 332.452 2.199 20 10 EECDLO CC[C@@H]([NH2+]CC(C)(C)CCCO)c1cccc(-c2nn[nH]n2)c1O ZINC001590465137 1349339599 /nfs/dbraw/zinc/33/95/99/1349339599.db2.gz SQKWMIZHGJEDCC-CQSZACIVSA-N 1 2 333.436 2.412 20 10 EECDLO CC[C@@H]([NH2+]CCNc1ccccn1)c1cccc(-c2nn[nH]n2)c1O ZINC001590470981 1349343812 /nfs/dbraw/zinc/34/38/12/1349343812.db2.gz TVVUDHHRDCEEBQ-CQSZACIVSA-N 1 2 339.403 2.120 20 10 EECDLO CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc(-c2nn[nH]n2)c1O ZINC001590469579 1349345223 /nfs/dbraw/zinc/34/52/23/1349345223.db2.gz KUSIQQMHLWMNAE-NWDGAFQWSA-N 1 2 339.346 2.037 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2nnnn2C2CC2)cc1 ZINC000844400867 789066608 /nfs/dbraw/zinc/06/66/08/789066608.db2.gz GCMQKCUUNFYPMC-ZDUSSCGKSA-N 1 2 330.436 2.146 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2nnnn2C2CC2)cc1 ZINC000844400867 789066614 /nfs/dbraw/zinc/06/66/14/789066614.db2.gz GCMQKCUUNFYPMC-ZDUSSCGKSA-N 1 2 330.436 2.146 20 10 EECDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCSc1nccs1 ZINC000165090871 789374763 /nfs/dbraw/zinc/37/47/63/789374763.db2.gz HKORGCCECBIHAH-NSHDSACASA-N 1 2 325.463 2.210 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000846110320 790053674 /nfs/dbraw/zinc/05/36/74/790053674.db2.gz YAVFFVRXOQLXEH-SUYBPPKGSA-N 1 2 337.416 2.237 20 10 EECDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cc(O)c(O)c(O)c1 ZINC001148587410 792572449 /nfs/dbraw/zinc/57/24/49/792572449.db2.gz IESRAGLWKFNNFJ-UHFFFAOYSA-N 1 2 325.324 2.301 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCN1CCOCC1 ZINC000715711756 795483162 /nfs/dbraw/zinc/48/31/62/795483162.db2.gz HYVWTFHDYDCGBJ-UHFFFAOYSA-N 1 2 347.228 2.106 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000188458102 539621284 /nfs/dbraw/zinc/62/12/84/539621284.db2.gz YKHLWDDCOZPSCL-GOSISDBHSA-N 1 2 331.460 2.012 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000188458102 539621287 /nfs/dbraw/zinc/62/12/87/539621287.db2.gz YKHLWDDCOZPSCL-GOSISDBHSA-N 1 2 331.460 2.012 20 10 EECDLO COc1cc(O)c(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000290632382 464127054 /nfs/dbraw/zinc/12/70/54/464127054.db2.gz YAGMRJJCKASMCG-ZDUSSCGKSA-N 1 2 349.408 2.028 20 10 EECDLO Cn1ncc2c1nc[nH+]c2N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000179948415 464214074 /nfs/dbraw/zinc/21/40/74/464214074.db2.gz QTCATKZRATWGRC-AWEZNQCLSA-N 1 2 339.399 2.255 20 10 EECDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)ccc1N(C)C ZINC000292884226 464375544 /nfs/dbraw/zinc/37/55/44/464375544.db2.gz ULZSCZWHRKZQRZ-UHFFFAOYSA-N 1 2 338.455 2.414 20 10 EECDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC000285292138 464512588 /nfs/dbraw/zinc/51/25/88/464512588.db2.gz TWYSXSWOAJRSCV-UHFFFAOYSA-N 1 2 341.411 2.199 20 10 EECDLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000365531185 466850539 /nfs/dbraw/zinc/85/05/39/466850539.db2.gz YLYOLLPXBOHUEJ-CYBMUJFWSA-N 1 2 344.864 2.046 20 10 EECDLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000365531185 466850543 /nfs/dbraw/zinc/85/05/43/466850543.db2.gz YLYOLLPXBOHUEJ-CYBMUJFWSA-N 1 2 344.864 2.046 20 10 EECDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769467076 577578576 /nfs/dbraw/zinc/57/85/76/577578576.db2.gz SEUXIEPNIYATRI-XXAQJILISA-N 1 2 340.464 2.004 20 10 EECDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769467076 577578577 /nfs/dbraw/zinc/57/85/77/577578577.db2.gz SEUXIEPNIYATRI-XXAQJILISA-N 1 2 340.464 2.004 20 10 EECDLO C[C@H]1CC[N@H+](Cc2cccc(Br)c2O)CC[S@]1=O ZINC000763493862 577721957 /nfs/dbraw/zinc/72/19/57/577721957.db2.gz SFFORFITQOLGTA-XTZNXHDOSA-N 1 2 332.263 2.498 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)CC[S@]1=O ZINC000763493862 577721958 /nfs/dbraw/zinc/72/19/58/577721958.db2.gz SFFORFITQOLGTA-XTZNXHDOSA-N 1 2 332.263 2.498 20 10 EECDLO CCOC(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000763273392 577718304 /nfs/dbraw/zinc/71/83/04/577718304.db2.gz XUFPCAWNJAUKJP-QMMMGPOBSA-N 1 2 332.194 2.205 20 10 EECDLO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1cccc2nonc21 ZINC000753923788 577796234 /nfs/dbraw/zinc/79/62/34/577796234.db2.gz MRYJKBZQKTUIKR-UHFFFAOYSA-N 1 2 332.385 2.085 20 10 EECDLO CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756356153 577842613 /nfs/dbraw/zinc/84/26/13/577842613.db2.gz ZYTVQDDIUUCROA-HIFRSBDPSA-N 1 2 337.420 2.308 20 10 EECDLO CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756356153 577842614 /nfs/dbraw/zinc/84/26/14/577842614.db2.gz ZYTVQDDIUUCROA-HIFRSBDPSA-N 1 2 337.420 2.308 20 10 EECDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)OCO2 ZINC000740863600 578108335 /nfs/dbraw/zinc/10/83/35/578108335.db2.gz VCTUMCUQTKOLKI-UHFFFAOYSA-N 1 2 349.408 2.156 20 10 EECDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)OCO2 ZINC000740863600 578108336 /nfs/dbraw/zinc/10/83/36/578108336.db2.gz VCTUMCUQTKOLKI-UHFFFAOYSA-N 1 2 349.408 2.156 20 10 EECDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137681 578182756 /nfs/dbraw/zinc/18/27/56/578182756.db2.gz XWSXPRACYMZNOC-SNVBAGLBSA-N 1 2 340.343 2.331 20 10 EECDLO CC[C@@H](CO)Nc1cc(NCc2ccc(N(C)C)c(F)c2)[nH+]cn1 ZINC000892132173 676905367 /nfs/dbraw/zinc/90/53/67/676905367.db2.gz ZWTJYWYVKHEGJY-ZDUSSCGKSA-N 1 2 333.411 2.477 20 10 EECDLO CC[C@@H](CO)Nc1cc(NCc2ccc(N(C)C)c(F)c2)nc[nH+]1 ZINC000892132173 676905368 /nfs/dbraw/zinc/90/53/68/676905368.db2.gz ZWTJYWYVKHEGJY-ZDUSSCGKSA-N 1 2 333.411 2.477 20 10 EECDLO COc1ccc(N2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)cc1 ZINC000895444374 684599504 /nfs/dbraw/zinc/59/95/04/684599504.db2.gz LVOBCJOGJVZHSI-UHFFFAOYSA-N 1 2 342.443 2.284 20 10 EECDLO COCCOC[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883018671 684641694 /nfs/dbraw/zinc/64/16/94/684641694.db2.gz LKYOIVBXROTVKR-SECBINFHSA-N 1 2 336.201 2.435 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896400592 684969865 /nfs/dbraw/zinc/96/98/65/684969865.db2.gz LRCHGSFLUGKTRV-SFHVURJKSA-N 1 2 341.459 2.481 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896400592 684969868 /nfs/dbraw/zinc/96/98/68/684969868.db2.gz LRCHGSFLUGKTRV-SFHVURJKSA-N 1 2 341.459 2.481 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cccnc3OC)CC2)c(OC)c1 ZINC000877708658 1200046185 /nfs/dbraw/zinc/04/61/85/1200046185.db2.gz RRIPFHAZOJTNHQ-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO C[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCC(=O)N1 ZINC000883140388 1202019609 /nfs/dbraw/zinc/01/96/09/1202019609.db2.gz RTTRFVXLAUWUFU-ZDUSSCGKSA-N 1 2 331.185 2.052 20 10 EECDLO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1O ZINC000827850710 1248826872 /nfs/dbraw/zinc/82/68/72/1248826872.db2.gz PXOCEJNDDNRAIB-PWSUYJOCSA-N 1 2 346.349 2.290 20 10 EECDLO COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1O ZINC000827850710 1248826883 /nfs/dbraw/zinc/82/68/83/1248826883.db2.gz PXOCEJNDDNRAIB-PWSUYJOCSA-N 1 2 346.349 2.290 20 10 EECDLO COCCOCN1CCC12C[NH+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001276372575 1229024704 /nfs/dbraw/zinc/02/47/04/1229024704.db2.gz ZFSBKMQZYPLCKI-UHFFFAOYSA-N 1 2 340.851 2.235 20 10 EECDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2F)C[C@H](C)O1 ZINC000900268381 1234136599 /nfs/dbraw/zinc/13/65/99/1234136599.db2.gz AADIDTNLSBZBGF-BETUJISGSA-N 1 2 346.406 2.021 20 10 EECDLO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@@H]1C[NH2+]CC1(F)F ZINC001218233060 1297609358 /nfs/dbraw/zinc/60/93/58/1297609358.db2.gz ILZVBSLASGRCPI-CYBMUJFWSA-N 1 2 335.306 2.315 20 10 EECDLO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CC3(F)F)ccc(O)c21 ZINC001218233769 1297609670 /nfs/dbraw/zinc/60/96/70/1297609670.db2.gz PSVDSXZCMJPQQF-ZDUSSCGKSA-N 1 2 345.301 2.154 20 10 EECDLO COc1cc(C[N@@H+]2CCc3cnc(SC)nc3C2)c(O)cc1O ZINC001231639553 1303875915 /nfs/dbraw/zinc/87/59/15/1303875915.db2.gz TVBPLJRATXNFAM-UHFFFAOYSA-N 1 2 333.413 2.177 20 10 EECDLO COc1cc(C[N@H+]2CCc3cnc(SC)nc3C2)c(O)cc1O ZINC001231639553 1303875918 /nfs/dbraw/zinc/87/59/18/1303875918.db2.gz TVBPLJRATXNFAM-UHFFFAOYSA-N 1 2 333.413 2.177 20 10 EECDLO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@H]21 ZINC001231909714 1303944019 /nfs/dbraw/zinc/94/40/19/1303944019.db2.gz FJZVGWHNHXWGCJ-VNHYZAJKSA-N 1 2 338.835 2.019 20 10 EECDLO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@H]21 ZINC001231909714 1303944023 /nfs/dbraw/zinc/94/40/23/1303944023.db2.gz FJZVGWHNHXWGCJ-VNHYZAJKSA-N 1 2 338.835 2.019 20 10 EECDLO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261478 1304056819 /nfs/dbraw/zinc/05/68/19/1304056819.db2.gz ILQYRSSEBUFHHH-NSHDSACASA-N 1 2 337.807 2.226 20 10 EECDLO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261478 1304056823 /nfs/dbraw/zinc/05/68/23/1304056823.db2.gz ILQYRSSEBUFHHH-NSHDSACASA-N 1 2 337.807 2.226 20 10 EECDLO CCOCc1ncn2c1C[N@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232838045 1304265760 /nfs/dbraw/zinc/26/57/60/1304265760.db2.gz OOUADMGCRVURSG-UHFFFAOYSA-N 1 2 330.432 2.207 20 10 EECDLO CCOCc1ncn2c1C[N@@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232838045 1304265763 /nfs/dbraw/zinc/26/57/63/1304265763.db2.gz OOUADMGCRVURSG-UHFFFAOYSA-N 1 2 330.432 2.207 20 10 EECDLO Oc1c(Cl)cc(Cl)cc1CN1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001236163048 1305518783 /nfs/dbraw/zinc/51/87/83/1305518783.db2.gz JYLWFAQONDGUAD-ZDUSSCGKSA-N 1 2 331.243 2.388 20 10 EECDLO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237621991 1306012174 /nfs/dbraw/zinc/01/21/74/1306012174.db2.gz KUAUVNDVBUZEBM-CYBMUJFWSA-N 1 2 344.814 2.302 20 10 EECDLO CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237621991 1306012187 /nfs/dbraw/zinc/01/21/87/1306012187.db2.gz KUAUVNDVBUZEBM-CYBMUJFWSA-N 1 2 344.814 2.302 20 10 EECDLO COC(=O)[C@@H]1COCCC12C[NH+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237948720 1306157092 /nfs/dbraw/zinc/15/70/92/1306157092.db2.gz HCXZXIUKJRSVCA-NSHDSACASA-N 1 2 343.782 2.196 20 10 EECDLO CC(C)(C)c1cc(O)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1Cl ZINC001248883278 1310963279 /nfs/dbraw/zinc/96/32/79/1310963279.db2.gz CWWVUJSXVHAIPH-CQSZACIVSA-N 1 2 326.824 2.029 20 10 EECDLO CC(C)(C)c1cc(O)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1Cl ZINC001248883278 1310963283 /nfs/dbraw/zinc/96/32/83/1310963283.db2.gz CWWVUJSXVHAIPH-CQSZACIVSA-N 1 2 326.824 2.029 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001139126830 1314707441 /nfs/dbraw/zinc/70/74/41/1314707441.db2.gz RROUUIWVLZOQIC-SFHVURJKSA-N 1 2 335.375 2.494 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001139126830 1314707443 /nfs/dbraw/zinc/70/74/43/1314707443.db2.gz RROUUIWVLZOQIC-SFHVURJKSA-N 1 2 335.375 2.494 20 10 EECDLO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001140623855 1314916539 /nfs/dbraw/zinc/91/65/39/1314916539.db2.gz VASRIIDTASJUFW-HNNXBMFYSA-N 1 2 336.432 2.426 20 10 EECDLO Cc1ccc(O)c(C[N@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001140623855 1314916540 /nfs/dbraw/zinc/91/65/40/1314916540.db2.gz VASRIIDTASJUFW-HNNXBMFYSA-N 1 2 336.432 2.426 20 10 EECDLO COc1cccc(N2CC[NH+](Cc3cc(O)c(O)c(OC)c3)CC2)c1 ZINC001204344154 1322119368 /nfs/dbraw/zinc/11/93/68/1322119368.db2.gz VLCQLIGOOHHELA-UHFFFAOYSA-N 1 2 344.411 2.437 20 10 EECDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206230132 1323432747 /nfs/dbraw/zinc/43/27/47/1323432747.db2.gz YZWLUBVXEWVUJW-OAHLLOKOSA-N 1 2 347.356 2.128 20 10 EECDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206230132 1323432753 /nfs/dbraw/zinc/43/27/53/1323432753.db2.gz YZWLUBVXEWVUJW-OAHLLOKOSA-N 1 2 347.356 2.128 20 10 EECDLO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001603670481 1350739091 /nfs/dbraw/zinc/73/90/91/1350739091.db2.gz HRVHNOKMRDAODI-LBPRGKRZSA-N 1 2 338.415 2.489 20 10 EECDLO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)n3cc[nH+]c3)C2)cc1 ZINC001329152367 1334595906 /nfs/dbraw/zinc/59/59/06/1334595906.db2.gz RFFJQKZILGILCH-LSDHHAIUSA-N 1 2 328.416 2.095 20 10 EECDLO O=C(C[NH+]1CCC(CO)CC1)NCc1cc(Cl)cc(Cl)c1O ZINC001336494023 1336553355 /nfs/dbraw/zinc/55/33/55/1336553355.db2.gz KFSWGJAAYGIGOJ-UHFFFAOYSA-N 1 2 347.242 2.020 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC001350317106 1337694789 /nfs/dbraw/zinc/69/47/89/1337694789.db2.gz QQZUWMGKWIOYPA-NSHDSACASA-N 1 2 341.184 2.332 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC001350317106 1337694793 /nfs/dbraw/zinc/69/47/93/1337694793.db2.gz QQZUWMGKWIOYPA-NSHDSACASA-N 1 2 341.184 2.332 20 10 EECDLO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589951355 1349076302 /nfs/dbraw/zinc/07/63/02/1349076302.db2.gz CIZBJVLCTSMFHT-GGZSPTBLSA-N 1 2 329.404 2.036 20 10 EECDLO CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465736 1349341777 /nfs/dbraw/zinc/34/17/77/1349341777.db2.gz VOEPGQQXZXITQY-RISCZKNCSA-N 1 2 329.404 2.325 20 10 EECDLO CC[C@H]([NH2+]C[C@@]1(OC)CCSC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053738 1350841405 /nfs/dbraw/zinc/84/14/05/1350841405.db2.gz DSPWLOOPCLZQRF-BBRMVZONSA-N 1 2 349.460 2.135 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056574 1350842266 /nfs/dbraw/zinc/84/22/66/1350842266.db2.gz UYXIDJOTHDTHMA-JMSVASOKSA-N 1 2 331.420 2.164 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(CC)c21 ZINC001140744665 1372661596 /nfs/dbraw/zinc/66/15/96/1372661596.db2.gz GMGPHSSPXKHXDD-CQSZACIVSA-N 1 2 346.431 2.154 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(CC)c21 ZINC001140744665 1372661599 /nfs/dbraw/zinc/66/15/99/1372661599.db2.gz GMGPHSSPXKHXDD-CQSZACIVSA-N 1 2 346.431 2.154 20 10 EECDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)cccc1Br ZINC001140099969 757559205 /nfs/dbraw/zinc/55/92/05/757559205.db2.gz ABUARCPFXQZPFI-ZBINZKHDSA-N 1 2 342.233 2.126 20 10 EECDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2F)C[C@@H](C)O1 ZINC000816891148 784322165 /nfs/dbraw/zinc/32/21/65/784322165.db2.gz JZXROQVGEUVWQD-CHWSQXEVSA-N 1 2 346.406 2.021 20 10 EECDLO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132659 786752845 /nfs/dbraw/zinc/75/28/45/786752845.db2.gz FHSZKPFDHJAOCR-SSDOTTSWSA-N 1 2 333.613 2.115 20 10 EECDLO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132659 786752851 /nfs/dbraw/zinc/75/28/51/786752851.db2.gz FHSZKPFDHJAOCR-SSDOTTSWSA-N 1 2 333.613 2.115 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000846109745 790052854 /nfs/dbraw/zinc/05/28/54/790052854.db2.gz VOVZOIYKDFGNAX-XNRPHZJLSA-N 1 2 337.416 2.237 20 10 EECDLO COc1ccc(N2CC[NH+](CN3C(=O)CCC3(C)C)CC2)cc1F ZINC000808168939 812513861 /nfs/dbraw/zinc/51/38/61/812513861.db2.gz TUKMMKQQPWPAGJ-UHFFFAOYSA-N 1 2 335.423 2.315 20 10 EECDLO COc1cccc(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1O ZINC000130833823 462778450 /nfs/dbraw/zinc/77/84/50/462778450.db2.gz AQQULWTUSRMDRA-UHFFFAOYSA-N 1 2 344.386 2.384 20 10 EECDLO COc1cccc(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1O ZINC000130833823 462778454 /nfs/dbraw/zinc/77/84/54/462778454.db2.gz AQQULWTUSRMDRA-UHFFFAOYSA-N 1 2 344.386 2.384 20 10 EECDLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1cc(Br)ccc1O ZINC000091588024 462889062 /nfs/dbraw/zinc/88/90/62/462889062.db2.gz BZEQNYKKHJEXAF-UHFFFAOYSA-N 1 2 327.182 2.001 20 10 EECDLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1cc(Br)ccc1O ZINC000091588024 462889069 /nfs/dbraw/zinc/88/90/69/462889069.db2.gz BZEQNYKKHJEXAF-UHFFFAOYSA-N 1 2 327.182 2.001 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000159758780 463304098 /nfs/dbraw/zinc/30/40/98/463304098.db2.gz NHPGIZVXYQHGRX-UHFFFAOYSA-N 1 2 336.432 2.100 20 10 EECDLO CCc1nc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)no1 ZINC000123950822 463380616 /nfs/dbraw/zinc/38/06/16/463380616.db2.gz ALISLHIEYMWSHN-UHFFFAOYSA-N 1 2 336.823 2.309 20 10 EECDLO Cc1cccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c1O ZINC000291025292 464140988 /nfs/dbraw/zinc/14/09/88/464140988.db2.gz DFPVMVOTSVZGLA-UHFFFAOYSA-N 1 2 325.412 2.245 20 10 EECDLO Cc1cccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)c1O ZINC000291025292 464140994 /nfs/dbraw/zinc/14/09/94/464140994.db2.gz DFPVMVOTSVZGLA-UHFFFAOYSA-N 1 2 325.412 2.245 20 10 EECDLO O=C(c1cccc(O)c1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180057053 464232930 /nfs/dbraw/zinc/23/29/30/464232930.db2.gz FPHLAXUQLPVIJA-UHFFFAOYSA-N 1 2 330.359 2.195 20 10 EECDLO Nc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000237902922 464400519 /nfs/dbraw/zinc/40/05/19/464400519.db2.gz UUALGYDIGSGTDY-MRXNPFEDSA-N 1 2 345.468 2.063 20 10 EECDLO O=C(NCCNc1cccc[nH+]1)NCc1ccc(N2CC=CC2)cc1 ZINC000265952842 464747626 /nfs/dbraw/zinc/74/76/26/464747626.db2.gz UTRJSRLJMVZOEA-UHFFFAOYSA-N 1 2 337.427 2.369 20 10 EECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(Cc3cc(C)on3)CC2)c1O ZINC000267057376 464915252 /nfs/dbraw/zinc/91/52/52/464915252.db2.gz LGEARORCAASDLG-UHFFFAOYSA-N 1 2 347.390 2.348 20 10 EECDLO C[C@H]1c2cccn2CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727172802 576409860 /nfs/dbraw/zinc/40/98/60/576409860.db2.gz MCEXXPHDVNGFGV-HNNXBMFYSA-N 1 2 326.444 2.247 20 10 EECDLO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727172802 576409863 /nfs/dbraw/zinc/40/98/63/576409863.db2.gz MCEXXPHDVNGFGV-HNNXBMFYSA-N 1 2 326.444 2.247 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C ZINC000774845571 577420432 /nfs/dbraw/zinc/42/04/32/577420432.db2.gz IEANCLKJAJFEDZ-UHFFFAOYSA-N 1 2 326.349 2.083 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C ZINC000774845571 577420433 /nfs/dbraw/zinc/42/04/33/577420433.db2.gz IEANCLKJAJFEDZ-UHFFFAOYSA-N 1 2 326.349 2.083 20 10 EECDLO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775254014 577433774 /nfs/dbraw/zinc/43/37/74/577433774.db2.gz FTCJYBWVCZREGR-UONOGXRCSA-N 1 2 346.431 2.464 20 10 EECDLO COCCc1noc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)n1 ZINC000775712463 577443447 /nfs/dbraw/zinc/44/34/47/577443447.db2.gz HAJDSDDYUQSFBB-UHFFFAOYSA-N 1 2 329.759 2.389 20 10 EECDLO COCCc1noc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)n1 ZINC000775712463 577443448 /nfs/dbraw/zinc/44/34/48/577443448.db2.gz HAJDSDDYUQSFBB-UHFFFAOYSA-N 1 2 329.759 2.389 20 10 EECDLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000765795143 577507361 /nfs/dbraw/zinc/50/73/61/577507361.db2.gz HVYJMUQXTHLQRZ-CMPLNLGQSA-N 1 2 327.222 2.159 20 10 EECDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000768228926 577552520 /nfs/dbraw/zinc/55/25/20/577552520.db2.gz MLSWPXNDMMMWOQ-AWEZNQCLSA-N 1 2 325.430 2.271 20 10 EECDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000768228926 577552521 /nfs/dbraw/zinc/55/25/21/577552521.db2.gz MLSWPXNDMMMWOQ-AWEZNQCLSA-N 1 2 325.430 2.271 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N[C@H](CCO)C3CC3)CC2)cc1 ZINC000741414036 578119206 /nfs/dbraw/zinc/11/92/06/578119206.db2.gz SQVVQMYIYIGQIM-GOSISDBHSA-N 1 2 347.459 2.124 20 10 EECDLO COc1cccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1O ZINC000826216186 608377635 /nfs/dbraw/zinc/37/76/35/608377635.db2.gz NSNGGFRSQBVTDE-UHFFFAOYSA-N 1 2 348.366 2.163 20 10 EECDLO Cc1cc(C)nc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)n1 ZINC000894438059 682895981 /nfs/dbraw/zinc/89/59/81/682895981.db2.gz WGTKCZLVVKQMTJ-UHFFFAOYSA-N 1 2 334.370 2.399 20 10 EECDLO COc1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)c(O)c1OC ZINC000893415247 686927081 /nfs/dbraw/zinc/92/70/81/686927081.db2.gz DPXKYVCFXCCFAR-UHFFFAOYSA-N 1 2 325.796 2.428 20 10 EECDLO COc1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)c(O)c1OC ZINC000893415247 686927085 /nfs/dbraw/zinc/92/70/85/686927085.db2.gz DPXKYVCFXCCFAR-UHFFFAOYSA-N 1 2 325.796 2.428 20 10 EECDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cccc1F ZINC001273265651 1197889774 /nfs/dbraw/zinc/88/97/74/1197889774.db2.gz IVQAIPMIFFXSNC-DJJJIMSYSA-N 1 2 348.418 2.466 20 10 EECDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000925577068 1206131043 /nfs/dbraw/zinc/13/10/43/1206131043.db2.gz NQVUPIQMNCBQEY-KRWDZBQOSA-N 1 2 348.491 2.005 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)Cc2noc3c2COCC3)cc1 ZINC000930851816 1206587684 /nfs/dbraw/zinc/58/76/84/1206587684.db2.gz ATFKAFKQUHRRQB-UHFFFAOYSA-N 1 2 331.416 2.324 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2noc3c2COCC3)cc1 ZINC000930851816 1206587686 /nfs/dbraw/zinc/58/76/86/1206587686.db2.gz ATFKAFKQUHRRQB-UHFFFAOYSA-N 1 2 331.416 2.324 20 10 EECDLO COc1ccc(N2CC[NH+](CCc3nc(C)c(C(C)=O)[nH]3)CC2)cc1 ZINC000851714047 1277721344 /nfs/dbraw/zinc/72/13/44/1277721344.db2.gz LJJAXEQGDRJPAZ-UHFFFAOYSA-N 1 2 342.443 2.294 20 10 EECDLO O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)c1ccc(O)c(O)c1Cl ZINC001193247409 1282401374 /nfs/dbraw/zinc/40/13/74/1282401374.db2.gz XWVUIGRKGXUJKA-LBPRGKRZSA-N 1 2 347.802 2.151 20 10 EECDLO O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)c1ccc(O)c(O)c1Cl ZINC001193247409 1282401377 /nfs/dbraw/zinc/40/13/77/1282401377.db2.gz XWVUIGRKGXUJKA-LBPRGKRZSA-N 1 2 347.802 2.151 20 10 EECDLO COc1cc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c(O)cc1O ZINC001231638970 1303874936 /nfs/dbraw/zinc/87/49/36/1303874936.db2.gz JMLWRZWRSXQURG-UHFFFAOYSA-N 1 2 336.432 2.187 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000781895262 1303891578 /nfs/dbraw/zinc/89/15/78/1303891578.db2.gz RCWNESKSRYSUQA-GFCCVEGCSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000781895262 1303891583 /nfs/dbraw/zinc/89/15/83/1303891583.db2.gz RCWNESKSRYSUQA-GFCCVEGCSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1cc(C)nc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)n1 ZINC001232264514 1304058265 /nfs/dbraw/zinc/05/82/65/1304058265.db2.gz CRSVFGUZPLFWDU-UHFFFAOYSA-N 1 2 348.834 2.480 20 10 EECDLO CN(CC1C[NH+](Cc2cc(O)c(O)c(O)c2)C1)C(=O)OC(C)(C)C ZINC001233012682 1304327725 /nfs/dbraw/zinc/32/77/25/1304327725.db2.gz IEQUICUXFSVLBL-UHFFFAOYSA-N 1 2 338.404 2.102 20 10 EECDLO COc1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c(O)c1Cl ZINC001236806501 1305683979 /nfs/dbraw/zinc/68/39/79/1305683979.db2.gz AMQSCBXRSXLVJL-UHFFFAOYSA-N 1 2 338.835 2.499 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3cncnc3)CC2)c(Cl)c1 ZINC001236810089 1305685290 /nfs/dbraw/zinc/68/52/90/1305685290.db2.gz ZMCADQBUACOJRF-UHFFFAOYSA-N 1 2 334.807 2.166 20 10 EECDLO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834899971 1314887895 /nfs/dbraw/zinc/88/78/95/1314887895.db2.gz LSUFJHBUMAKJCM-SFYZADRCSA-N 1 2 333.201 2.469 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001276469956 1322161457 /nfs/dbraw/zinc/16/14/57/1322161457.db2.gz HVIRKWXKQHMDME-GJZGRUSLSA-N 1 2 334.370 2.242 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001276469956 1322161463 /nfs/dbraw/zinc/16/14/63/1322161463.db2.gz HVIRKWXKQHMDME-GJZGRUSLSA-N 1 2 334.370 2.242 20 10 EECDLO Oc1ccc(F)c(F)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1 ZINC001276469956 1322161466 /nfs/dbraw/zinc/16/14/66/1322161466.db2.gz HVIRKWXKQHMDME-GJZGRUSLSA-N 1 2 334.370 2.242 20 10 EECDLO Oc1ccc(F)c(F)c1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cn[nH]c1 ZINC001276469956 1322161472 /nfs/dbraw/zinc/16/14/72/1322161472.db2.gz HVIRKWXKQHMDME-GJZGRUSLSA-N 1 2 334.370 2.242 20 10 EECDLO CN(C)c1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)cc1F ZINC001308252426 1331577613 /nfs/dbraw/zinc/57/76/13/1331577613.db2.gz YHJLHRRZPFMVRM-UHFFFAOYSA-N 1 2 326.379 2.157 20 10 EECDLO COc1ccc(N2CC[C@@H](CNc3nc[nH+]c(N)c3OC)C2)cc1 ZINC000848727471 1338749711 /nfs/dbraw/zinc/74/97/11/1338749711.db2.gz CTSYRPHPPRDZQN-LBPRGKRZSA-N 1 2 329.404 2.014 20 10 EECDLO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589653251 1349015980 /nfs/dbraw/zinc/01/59/80/1349015980.db2.gz BGWIAYSSIQJUJF-STQMWFEESA-N 1 2 332.452 2.199 20 10 EECDLO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589959961 1349080134 /nfs/dbraw/zinc/08/01/34/1349080134.db2.gz YEKPEUQAEQFJAS-GXTWGEPZSA-N 1 2 345.447 2.412 20 10 EECDLO CC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465722 1349341655 /nfs/dbraw/zinc/34/16/55/1349341655.db2.gz VNQVCAVYIVHLGY-GOEBONIOSA-N 1 2 345.447 2.410 20 10 EECDLO CC(C)CC(=O)NCCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001089799218 775816411 /nfs/dbraw/zinc/81/64/11/775816411.db2.gz CKDMPFPFSSOBIZ-UHFFFAOYSA-N 1 2 342.447 2.052 20 10 EECDLO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894077093 780504987 /nfs/dbraw/zinc/50/49/87/780504987.db2.gz WFVNXWPSQBOMAO-VIFPVBQESA-N 1 2 345.212 2.381 20 10 EECDLO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894077093 780504997 /nfs/dbraw/zinc/50/49/97/780504997.db2.gz WFVNXWPSQBOMAO-VIFPVBQESA-N 1 2 345.212 2.381 20 10 EECDLO CCn1cnnc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715776638 795500826 /nfs/dbraw/zinc/50/08/26/795500826.db2.gz BITOIHZZTIZURB-UHFFFAOYSA-N 1 2 329.173 2.195 20 10 EECDLO Cc1cc(C(=O)C[N@H+](CCO)CCCO)c(C)n1-c1ccccc1C ZINC000085795943 796657424 /nfs/dbraw/zinc/65/74/24/796657424.db2.gz PJEMKGWJSUBBFB-UHFFFAOYSA-N 1 2 344.455 2.262 20 10 EECDLO Cc1cc(C(=O)C[N@@H+](CCO)CCCO)c(C)n1-c1ccccc1C ZINC000085795943 796657425 /nfs/dbraw/zinc/65/74/25/796657425.db2.gz PJEMKGWJSUBBFB-UHFFFAOYSA-N 1 2 344.455 2.262 20 10 EECDLO O=C(NCc1cccc(O)c1O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001520508527 1119171039 /nfs/dbraw/zinc/17/10/39/1119171039.db2.gz DXJBCOONCCDBMB-INIZCTEOSA-N 1 2 341.411 2.164 20 10 EECDLO O=C(NCc1cccc(O)c1O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001520508527 1119171041 /nfs/dbraw/zinc/17/10/41/1119171041.db2.gz DXJBCOONCCDBMB-INIZCTEOSA-N 1 2 341.411 2.164 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000072716907 463538875 /nfs/dbraw/zinc/53/88/75/463538875.db2.gz FVSFMPOUFSLOLG-UHFFFAOYSA-N 1 2 345.487 2.404 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000072716907 463538879 /nfs/dbraw/zinc/53/88/79/463538879.db2.gz FVSFMPOUFSLOLG-UHFFFAOYSA-N 1 2 345.487 2.404 20 10 EECDLO COc1cc[nH+]cc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000292734243 464324242 /nfs/dbraw/zinc/32/42/42/464324242.db2.gz QFNGBHOTTRLCPN-UHFFFAOYSA-N 1 2 338.411 2.466 20 10 EECDLO CN(Cc1ccccc1O)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265843478 464706085 /nfs/dbraw/zinc/70/60/85/464706085.db2.gz SNDMSPYUPNVTTM-UHFFFAOYSA-N 1 2 340.423 2.497 20 10 EECDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299670680 465850431 /nfs/dbraw/zinc/85/04/31/465850431.db2.gz MEOKSUBYGQETBV-HNNXBMFYSA-N 1 2 326.444 2.457 20 10 EECDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299670680 465850434 /nfs/dbraw/zinc/85/04/34/465850434.db2.gz MEOKSUBYGQETBV-HNNXBMFYSA-N 1 2 326.444 2.457 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000372751772 466572156 /nfs/dbraw/zinc/57/21/56/466572156.db2.gz QHVSDNMORPLVKH-VZJVUDMVSA-N 1 2 336.819 2.334 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000372751772 466572162 /nfs/dbraw/zinc/57/21/62/466572162.db2.gz QHVSDNMORPLVKH-VZJVUDMVSA-N 1 2 336.819 2.334 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)[C@H](C)n3cccn3)CC2)cc1 ZINC000726563010 576277246 /nfs/dbraw/zinc/27/72/46/576277246.db2.gz ATYZNZIRIDXYKG-AWEZNQCLSA-N 1 2 328.416 2.238 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NC[C@H](O)CC(C)C)CC2)cc1 ZINC000726714607 576291107 /nfs/dbraw/zinc/29/11/07/576291107.db2.gz ZGBALJXXRDPAGL-QGZVFWFLSA-N 1 2 349.475 2.370 20 10 EECDLO CN(C)c1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000728592822 576508462 /nfs/dbraw/zinc/50/84/62/576508462.db2.gz IFGJNIUWDZBOCQ-KRWDZBQOSA-N 1 2 327.432 2.496 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)N[C@](C)(C4CC4)C3=O)CC2)cc1 ZINC000777634653 577483726 /nfs/dbraw/zinc/48/37/26/577483726.db2.gz SUJKLTGRTZNQEJ-LJQANCHMSA-N 1 2 343.427 2.385 20 10 EECDLO CCN(CC)c1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1F ZINC000769934603 577587389 /nfs/dbraw/zinc/58/73/89/577587389.db2.gz MUSUWBQSWVMPRF-UHFFFAOYSA-N 1 2 332.427 2.358 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCOC[C@@H](C)C3)CC2)cc1 ZINC000754638533 577809849 /nfs/dbraw/zinc/80/98/49/577809849.db2.gz CMHVNVUQSHDTAA-HNNXBMFYSA-N 1 2 347.459 2.342 20 10 EECDLO C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)cc(F)c1O ZINC000756434930 577844191 /nfs/dbraw/zinc/84/41/91/577844191.db2.gz ROQSMEYKIXQMTA-WPRPVWTQSA-N 1 2 334.185 2.360 20 10 EECDLO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756766008 577849972 /nfs/dbraw/zinc/84/99/72/577849972.db2.gz URMBWYMEVQKPFZ-LLVKDONJSA-N 1 2 342.386 2.349 20 10 EECDLO Oc1ccc2ccncc2c1C[NH+]1CCN(CC2CCOCC2)CC1 ZINC000736282802 578193372 /nfs/dbraw/zinc/19/33/72/578193372.db2.gz ZJWQOIAOARRNAZ-UHFFFAOYSA-N 1 2 341.455 2.485 20 10 EECDLO CN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2O)C1=O ZINC000708075835 1178326802 /nfs/dbraw/zinc/32/68/02/1178326802.db2.gz PPILCYTXLWSODS-NSHDSACASA-N 1 2 347.640 2.471 20 10 EECDLO CN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Br)c2O)C1=O ZINC000708075835 1178326810 /nfs/dbraw/zinc/32/68/10/1178326810.db2.gz PPILCYTXLWSODS-NSHDSACASA-N 1 2 347.640 2.471 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1)c1cccnc1 ZINC001142530317 1188234977 /nfs/dbraw/zinc/23/49/77/1188234977.db2.gz CSPOLIIPPOAXSQ-CQSZACIVSA-N 1 2 347.365 2.460 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1)c1cccnc1 ZINC001142530317 1188234981 /nfs/dbraw/zinc/23/49/81/1188234981.db2.gz CSPOLIIPPOAXSQ-CQSZACIVSA-N 1 2 347.365 2.460 20 10 EECDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001273157582 1197126544 /nfs/dbraw/zinc/12/65/44/1197126544.db2.gz QCCUAFGMHGKETM-GFCCVEGCSA-N 1 2 338.835 2.257 20 10 EECDLO COc1cc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(O)cc1C ZINC000872753177 1198369598 /nfs/dbraw/zinc/36/95/98/1198369598.db2.gz JNMJTBPLKSELMP-HNNXBMFYSA-N 1 2 346.349 2.352 20 10 EECDLO COc1cc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(O)cc1C ZINC000872753177 1198369603 /nfs/dbraw/zinc/36/96/03/1198369603.db2.gz JNMJTBPLKSELMP-HNNXBMFYSA-N 1 2 346.349 2.352 20 10 EECDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463585 1201080821 /nfs/dbraw/zinc/08/08/21/1201080821.db2.gz JAGFGJRRVGKBPW-HNNXBMFYSA-N 1 2 349.475 2.131 20 10 EECDLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883111758 1202014507 /nfs/dbraw/zinc/01/45/07/1202014507.db2.gz PEVRNVXTRPGBGS-HQJQHLMTSA-N 1 2 347.640 2.422 20 10 EECDLO COc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)cc1 ZINC001274789379 1205166301 /nfs/dbraw/zinc/16/63/01/1205166301.db2.gz AHIUMWBQPDRWBA-QZTJIDSGSA-N 1 2 340.427 2.162 20 10 EECDLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924760622 1206028052 /nfs/dbraw/zinc/02/80/52/1206028052.db2.gz QKIKAAWZKVNUTE-LLVKDONJSA-N 1 2 334.395 2.329 20 10 EECDLO COc1ccc(N2CCCN(C(=O)CNc3cccc[nH+]3)CC2)cc1 ZINC000900293250 1234169455 /nfs/dbraw/zinc/16/94/55/1234169455.db2.gz ABFVHADZUCFJRN-UHFFFAOYSA-N 1 2 340.427 2.241 20 10 EECDLO Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000858316282 1294080129 /nfs/dbraw/zinc/08/01/29/1294080129.db2.gz QKFRXNOCIVTXNA-HNNXBMFYSA-N 1 2 326.400 2.174 20 10 EECDLO COc1ccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(O)c1Cl ZINC001276806886 1298100502 /nfs/dbraw/zinc/10/05/02/1298100502.db2.gz UPMVTKGTHLLZRE-QGZVFWFLSA-N 1 2 340.851 2.351 20 10 EECDLO COc1ccc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(O)c1Cl ZINC001276806886 1298100506 /nfs/dbraw/zinc/10/05/06/1298100506.db2.gz UPMVTKGTHLLZRE-QGZVFWFLSA-N 1 2 340.851 2.351 20 10 EECDLO Oc1cc(Cl)c(F)cc1CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222691768 1299794510 /nfs/dbraw/zinc/79/45/10/1299794510.db2.gz LDHODBKXSZRGNX-MRXNPFEDSA-N 1 2 327.831 2.102 20 10 EECDLO Oc1c(F)c(F)ccc1CN1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001276856548 1299954039 /nfs/dbraw/zinc/95/40/39/1299954039.db2.gz CJGPSLXEKMZIRE-UHFFFAOYSA-N 1 2 348.397 2.075 20 10 EECDLO Oc1c(F)c(F)ccc1CN1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001276856548 1299954042 /nfs/dbraw/zinc/95/40/42/1299954042.db2.gz CJGPSLXEKMZIRE-UHFFFAOYSA-N 1 2 348.397 2.075 20 10 EECDLO Oc1c(Cl)cccc1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001231910917 1303944027 /nfs/dbraw/zinc/94/40/27/1303944027.db2.gz ZJHUTKOXNVCHOS-KBPBESRZSA-N 1 2 330.819 2.404 20 10 EECDLO COc1cnc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)nc1 ZINC001231913975 1303945054 /nfs/dbraw/zinc/94/50/54/1303945054.db2.gz WFOJIFVYSZNTPS-UHFFFAOYSA-N 1 2 334.807 2.166 20 10 EECDLO NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001277737995 1304299988 /nfs/dbraw/zinc/29/99/88/1304299988.db2.gz LGVVYPUILSLPRS-AMIZOPFISA-N 1 2 345.624 2.115 20 10 EECDLO NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001277737995 1304299996 /nfs/dbraw/zinc/29/99/96/1304299996.db2.gz LGVVYPUILSLPRS-AMIZOPFISA-N 1 2 345.624 2.115 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1)N1CCCC1 ZINC001233336304 1304434705 /nfs/dbraw/zinc/43/47/05/1304434705.db2.gz HGZFJWOFHCNEOC-GFCCVEGCSA-N 1 2 339.386 2.440 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1)N1CCCC1 ZINC001233336304 1304434710 /nfs/dbraw/zinc/43/47/10/1304434710.db2.gz HGZFJWOFHCNEOC-GFCCVEGCSA-N 1 2 339.386 2.440 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1)c1ccccn1 ZINC001233336157 1304435181 /nfs/dbraw/zinc/43/51/81/1304435181.db2.gz APGJQKNFHXMSHC-GFCCVEGCSA-N 1 2 347.365 2.460 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1)c1ccccn1 ZINC001233336157 1304435185 /nfs/dbraw/zinc/43/51/85/1304435185.db2.gz APGJQKNFHXMSHC-GFCCVEGCSA-N 1 2 347.365 2.460 20 10 EECDLO COc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(O)c1Cl ZINC001236808366 1305684955 /nfs/dbraw/zinc/68/49/55/1305684955.db2.gz XKWXGLOCSOPPJL-UHFFFAOYSA-N 1 2 326.780 2.129 20 10 EECDLO O=C(c1cc2c([nH]1)C[N@H+](Cc1cc(F)ccc1O)CC2)N1CC=CC1 ZINC001278256579 1308922679 /nfs/dbraw/zinc/92/26/79/1308922679.db2.gz IEJKSCDVYSZVGG-UHFFFAOYSA-N 1 2 341.386 2.430 20 10 EECDLO O=C(c1cc2c([nH]1)C[N@@H+](Cc1cc(F)ccc1O)CC2)N1CC=CC1 ZINC001278256579 1308922684 /nfs/dbraw/zinc/92/26/84/1308922684.db2.gz IEJKSCDVYSZVGG-UHFFFAOYSA-N 1 2 341.386 2.430 20 10 EECDLO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834899973 1314887865 /nfs/dbraw/zinc/88/78/65/1314887865.db2.gz LSUFJHBUMAKJCM-YUMQZZPRSA-N 1 2 333.201 2.469 20 10 EECDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140667215 1314925963 /nfs/dbraw/zinc/92/59/63/1314925963.db2.gz LEOLTHOMVRLWDZ-RPVQJOFSSA-N 1 2 348.418 2.188 20 10 EECDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140667215 1314925966 /nfs/dbraw/zinc/92/59/66/1314925966.db2.gz LEOLTHOMVRLWDZ-RPVQJOFSSA-N 1 2 348.418 2.188 20 10 EECDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000843485672 1315921897 /nfs/dbraw/zinc/92/18/97/1315921897.db2.gz MYCVYOQRGZZBJI-UHFFFAOYSA-N 1 2 341.459 2.172 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CC(F)(F)C[NH2+]1 ZINC001161134565 1320397927 /nfs/dbraw/zinc/39/79/27/1320397927.db2.gz CTQIWCYZCOKDLQ-INIZCTEOSA-N 1 2 325.403 2.488 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(-c2nn[nH]n2)c1O ZINC001589954670 1349077895 /nfs/dbraw/zinc/07/78/95/1349077895.db2.gz IKJSRLSNYOYMMT-FATJJJSSSA-N 1 2 329.404 2.181 20 10 EECDLO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589978989 1349090354 /nfs/dbraw/zinc/09/03/54/1349090354.db2.gz UFGIITNUUBUEJF-RISCZKNCSA-N 1 2 342.403 2.119 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466654 1349341220 /nfs/dbraw/zinc/34/12/20/1349341220.db2.gz LJLDSPZHMKRVJD-ASHKBJFXSA-N 1 2 331.420 2.427 20 10 EECDLO CC[C@H]([NH2+]Cc1ccnc(F)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001590467721 1349343633 /nfs/dbraw/zinc/34/36/33/1349343633.db2.gz CIVIHHZHLGWPFL-ZDUSSCGKSA-N 1 2 328.351 2.347 20 10 EECDLO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CCO1 ZINC001603658202 1350736131 /nfs/dbraw/zinc/73/61/31/1350736131.db2.gz QIYYJNNUXVXTBR-ZOWXZIJZSA-N 1 2 331.420 2.427 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cccnc3N)CC2)c(OC)c1 ZINC000879463255 1369623955 /nfs/dbraw/zinc/62/39/55/1369623955.db2.gz SFUYTTIDYXUUPK-UHFFFAOYSA-N 1 2 328.416 2.003 20 10 EECDLO Oc1cccc(F)c1C[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001137835804 1372281593 /nfs/dbraw/zinc/28/15/93/1372281593.db2.gz OHGXQFIGYTYBAT-UHFFFAOYSA-N 1 2 341.390 2.379 20 10 EECDLO Oc1cccc(F)c1C[N@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001137835804 1372281599 /nfs/dbraw/zinc/28/15/99/1372281599.db2.gz OHGXQFIGYTYBAT-UHFFFAOYSA-N 1 2 341.390 2.379 20 10 EECDLO Cn1ncc2c1nc[nH+]c2N1CC=C(CCNC(=O)C(C)(C)C)CC1 ZINC001089831022 777323589 /nfs/dbraw/zinc/32/35/89/777323589.db2.gz QSWMKJMBUYRSAK-UHFFFAOYSA-N 1 2 342.447 2.052 20 10 EECDLO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715712050 795484149 /nfs/dbraw/zinc/48/41/49/795484149.db2.gz ILAYAASGHAHEBD-SNVBAGLBSA-N 1 2 347.228 2.104 20 10 EECDLO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1Cc3ccccc3C1)cc2=O ZINC000155488330 462898726 /nfs/dbraw/zinc/89/87/26/462898726.db2.gz CFVVCTVRDHZEJZ-UHFFFAOYSA-N 1 2 338.367 2.127 20 10 EECDLO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1O ZINC000184921363 463718556 /nfs/dbraw/zinc/71/85/56/463718556.db2.gz IETBIVAZRLTJMH-QMMMGPOBSA-N 1 2 341.260 2.289 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000277321030 463908528 /nfs/dbraw/zinc/90/85/28/463908528.db2.gz DDGXHNFKPIWFID-HNNXBMFYSA-N 1 2 328.416 2.170 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000277321030 463908529 /nfs/dbraw/zinc/90/85/29/463908529.db2.gz DDGXHNFKPIWFID-HNNXBMFYSA-N 1 2 328.416 2.170 20 10 EECDLO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187798711 464164038 /nfs/dbraw/zinc/16/40/38/464164038.db2.gz NZJNTKAHTLHISK-LLVKDONJSA-N 1 2 342.386 2.349 20 10 EECDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000271058312 464277479 /nfs/dbraw/zinc/27/74/79/464277479.db2.gz CVBWPFOFLVEMJV-UHFFFAOYSA-N 1 2 341.411 2.144 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000265500956 464584145 /nfs/dbraw/zinc/58/41/45/464584145.db2.gz PHSLRIQYQCGRCX-UHFFFAOYSA-N 1 2 332.473 2.350 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000274954319 464759508 /nfs/dbraw/zinc/75/95/08/464759508.db2.gz SSGXUXIDZYXMQT-QGZVFWFLSA-N 1 2 349.475 2.478 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000274954319 464759514 /nfs/dbraw/zinc/75/95/14/464759514.db2.gz SSGXUXIDZYXMQT-QGZVFWFLSA-N 1 2 349.475 2.478 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000276150887 464825420 /nfs/dbraw/zinc/82/54/20/464825420.db2.gz DTPGAUUONZEFAI-AWEZNQCLSA-N 1 2 328.416 2.027 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000276150887 464825429 /nfs/dbraw/zinc/82/54/29/464825429.db2.gz DTPGAUUONZEFAI-AWEZNQCLSA-N 1 2 328.416 2.027 20 10 EECDLO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c(F)ccc(O)c1O ZINC000276494278 464954479 /nfs/dbraw/zinc/95/44/79/464954479.db2.gz GXQYITFIBDNSAA-UHFFFAOYSA-N 1 2 330.359 2.025 20 10 EECDLO O=C(NCC[N@H+]1CCc2ccccc2C1)c1c(F)ccc(O)c1O ZINC000276494278 464954482 /nfs/dbraw/zinc/95/44/82/464954482.db2.gz GXQYITFIBDNSAA-UHFFFAOYSA-N 1 2 330.359 2.025 20 10 EECDLO CC(C)[N@H+](Cc1nnc2n1CCOC2)Cc1ccc(N(C)C)cc1 ZINC000369073121 466712885 /nfs/dbraw/zinc/71/28/85/466712885.db2.gz BBIPAOWIKXAPEB-UHFFFAOYSA-N 1 2 329.448 2.285 20 10 EECDLO CC(C)[N@@H+](Cc1nnc2n1CCOC2)Cc1ccc(N(C)C)cc1 ZINC000369073121 466712889 /nfs/dbraw/zinc/71/28/89/466712889.db2.gz BBIPAOWIKXAPEB-UHFFFAOYSA-N 1 2 329.448 2.285 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cn4cccnc4n3)CC2)cc1F ZINC000122059376 534012355 /nfs/dbraw/zinc/01/23/55/534012355.db2.gz KPCYUEIGTVKEGM-UHFFFAOYSA-N 1 2 341.390 2.199 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)cc1F ZINC000091923640 534014348 /nfs/dbraw/zinc/01/43/48/534014348.db2.gz XIKSBRBDXIMLNF-UHFFFAOYSA-N 1 2 349.431 2.317 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CC(C)(OC)C3)CC2)cc1 ZINC000753155605 577782484 /nfs/dbraw/zinc/78/24/84/577782484.db2.gz VPKBQVGYOCIHAE-UHFFFAOYSA-N 1 2 333.432 2.094 20 10 EECDLO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000756477145 577844774 /nfs/dbraw/zinc/84/47/74/577844774.db2.gz XLFFZNLMWPLCIU-LBPRGKRZSA-N 1 2 329.356 2.267 20 10 EECDLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000748635238 577965209 /nfs/dbraw/zinc/96/52/09/577965209.db2.gz UQSAVNQIMHJSLZ-MRXNPFEDSA-N 1 2 342.443 2.377 20 10 EECDLO COC[C@@H]1CCN(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)C1 ZINC000740480260 578095705 /nfs/dbraw/zinc/09/57/05/578095705.db2.gz RJKVNRDUZXWFQI-OAHLLOKOSA-N 1 2 347.459 2.342 20 10 EECDLO Nc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000311678009 682732354 /nfs/dbraw/zinc/73/23/54/682732354.db2.gz LFSZODISCYHWFF-GOSISDBHSA-N 1 2 340.427 2.291 20 10 EECDLO Nc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000311678009 682732357 /nfs/dbraw/zinc/73/23/57/682732357.db2.gz LFSZODISCYHWFF-GOSISDBHSA-N 1 2 340.427 2.291 20 10 EECDLO Oc1cc(F)c(F)cc1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001142512663 1188209584 /nfs/dbraw/zinc/20/95/84/1188209584.db2.gz HMOYXLLOHGKDSZ-UHFFFAOYSA-N 1 2 348.397 2.479 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000877780504 1200097481 /nfs/dbraw/zinc/09/74/81/1200097481.db2.gz SRSFCMPXTQAEBK-NSHDSACASA-N 1 2 332.263 2.373 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000877780504 1200097490 /nfs/dbraw/zinc/09/74/90/1200097490.db2.gz SRSFCMPXTQAEBK-NSHDSACASA-N 1 2 332.263 2.373 20 10 EECDLO OC[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CCOC1 ZINC000883109121 1202013673 /nfs/dbraw/zinc/01/36/73/1202013673.db2.gz GIPAFJHAYLXGAI-KOLCDFICSA-N 1 2 348.212 2.028 20 10 EECDLO C[C@H](NC(=O)CNc1cccc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000900386654 1234301021 /nfs/dbraw/zinc/30/10/21/1234301021.db2.gz BQCZWBUMAYOYTA-HNNXBMFYSA-N 1 2 340.427 2.208 20 10 EECDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000854003746 1292579242 /nfs/dbraw/zinc/57/92/42/1292579242.db2.gz KZFUJCSZTDGBFV-OAGGEKHMSA-N 1 2 348.491 2.222 20 10 EECDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000854003746 1292579251 /nfs/dbraw/zinc/57/92/51/1292579251.db2.gz KZFUJCSZTDGBFV-OAGGEKHMSA-N 1 2 348.491 2.222 20 10 EECDLO CN(C)C(=O)c1noc2c1C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001276958429 1300505921 /nfs/dbraw/zinc/50/59/21/1300505921.db2.gz OFVJYOCAAYDFJP-UHFFFAOYSA-N 1 2 328.416 2.001 20 10 EECDLO CN(C)C(=O)c1noc2c1C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001276958429 1300505932 /nfs/dbraw/zinc/50/59/32/1300505932.db2.gz OFVJYOCAAYDFJP-UHFFFAOYSA-N 1 2 328.416 2.001 20 10 EECDLO CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231912337 1303945124 /nfs/dbraw/zinc/94/51/24/1303945124.db2.gz DYZDDJGNNLLXFL-ZDUSSCGKSA-N 1 2 326.824 2.163 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233109729 1304362231 /nfs/dbraw/zinc/36/22/31/1304362231.db2.gz ASDHVQNXQRCWEV-UHFFFAOYSA-N 1 2 328.206 2.458 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3nccc(C)n3)CC2)c(Cl)c1 ZINC001236806262 1305683145 /nfs/dbraw/zinc/68/31/45/1305683145.db2.gz RXSHCZFQILJFDS-UHFFFAOYSA-N 1 2 348.834 2.475 20 10 EECDLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921364 1305728475 /nfs/dbraw/zinc/72/84/75/1305728475.db2.gz DRGGPONYEKJYHN-UKRRQHHQSA-N 1 2 342.842 2.329 20 10 EECDLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921364 1305728479 /nfs/dbraw/zinc/72/84/79/1305728479.db2.gz DRGGPONYEKJYHN-UKRRQHHQSA-N 1 2 342.842 2.329 20 10 EECDLO CCn1cc(C[N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001116442774 1305885486 /nfs/dbraw/zinc/88/54/86/1305885486.db2.gz PCCQKMDYHBPIEZ-UHFFFAOYSA-N 1 2 345.466 2.426 20 10 EECDLO CCn1cc(C[N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001116442774 1305885499 /nfs/dbraw/zinc/88/54/99/1305885499.db2.gz PCCQKMDYHBPIEZ-UHFFFAOYSA-N 1 2 345.466 2.426 20 10 EECDLO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001237491802 1305957137 /nfs/dbraw/zinc/95/71/37/1305957137.db2.gz MNLHQBFAFFKQNB-AWEZNQCLSA-N 1 2 336.432 2.426 20 10 EECDLO Cc1cccc(O)c1C[N@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001237491802 1305957139 /nfs/dbraw/zinc/95/71/39/1305957139.db2.gz MNLHQBFAFFKQNB-AWEZNQCLSA-N 1 2 336.432 2.426 20 10 EECDLO CCN(C(=O)[C@@H]1CC12C[NH+](Cc1cc(O)c(O)c(OC)c1)C2)C(C)C ZINC001278235622 1308882452 /nfs/dbraw/zinc/88/24/52/1308882452.db2.gz MUMCKDDMFGMJIY-AWEZNQCLSA-N 1 2 348.443 2.185 20 10 EECDLO COCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001122433604 1310285573 /nfs/dbraw/zinc/28/55/73/1310285573.db2.gz REJKQKIGZBIYCT-HNNXBMFYSA-N 1 2 345.447 2.033 20 10 EECDLO COCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001122433604 1310285577 /nfs/dbraw/zinc/28/55/77/1310285577.db2.gz REJKQKIGZBIYCT-HNNXBMFYSA-N 1 2 345.447 2.033 20 10 EECDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204347556 1322120622 /nfs/dbraw/zinc/12/06/22/1322120622.db2.gz WRXKNVCIWRFNQY-LBPRGKRZSA-N 1 2 338.404 2.205 20 10 EECDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204347556 1322120635 /nfs/dbraw/zinc/12/06/35/1322120635.db2.gz WRXKNVCIWRFNQY-LBPRGKRZSA-N 1 2 338.404 2.205 20 10 EECDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001335737012 1336420144 /nfs/dbraw/zinc/42/01/44/1336420144.db2.gz JOXAFXILROZDBY-HNNXBMFYSA-N 1 2 339.443 2.252 20 10 EECDLO C[C@H]([NH2+]CCN(C)C1CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960969 1349081913 /nfs/dbraw/zinc/08/19/13/1349081913.db2.gz LNAAJMMBBWVNJA-LBPRGKRZSA-N 1 2 330.436 2.097 20 10 EECDLO CC[C@H]([NH2+]CCC1CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055062 1350841139 /nfs/dbraw/zinc/84/11/39/1350841139.db2.gz KZPGOEKCUZFDIR-HNNXBMFYSA-N 1 2 331.420 2.430 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(CC(F)(F)F)CC2)c(OC)c1 ZINC001141028095 1372742983 /nfs/dbraw/zinc/74/29/83/1372742983.db2.gz BEZDTTYBCNFCRI-UHFFFAOYSA-N 1 2 334.338 2.089 20 10 EECDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(O)c1O ZINC000817187196 784565505 /nfs/dbraw/zinc/56/55/05/784565505.db2.gz MOUNCQYMJNFXEN-UHFFFAOYSA-N 1 2 343.379 2.287 20 10 EECDLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2O)C[C@@H](CO)O1 ZINC000817413384 784765355 /nfs/dbraw/zinc/76/53/55/784765355.db2.gz XDSNSTRRYQCACL-LBPRGKRZSA-N 1 2 330.222 2.126 20 10 EECDLO Cn1cc(Cl)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000824758161 788303819 /nfs/dbraw/zinc/30/38/19/788303819.db2.gz LZBNFRWTWJGKDV-UHFFFAOYSA-N 1 2 338.814 2.339 20 10 EECDLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000844726990 789331511 /nfs/dbraw/zinc/33/15/11/789331511.db2.gz ZPDNTRKQXKTLQC-IBGZPJMESA-N 1 2 347.459 2.196 20 10 EECDLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000844726990 789331518 /nfs/dbraw/zinc/33/15/18/789331518.db2.gz ZPDNTRKQXKTLQC-IBGZPJMESA-N 1 2 347.459 2.196 20 10 EECDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1F ZINC000370499805 238258539 /nfs/dbraw/zinc/25/85/39/238258539.db2.gz ODJHFGMSKKHBDW-HNNXBMFYSA-N 1 2 341.342 2.490 20 10 EECDLO COc1cccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1O ZINC000179698106 464175610 /nfs/dbraw/zinc/17/56/10/464175610.db2.gz QICQKCHCEOACIL-UHFFFAOYSA-N 1 2 332.425 2.420 20 10 EECDLO CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180032608 464227492 /nfs/dbraw/zinc/22/74/92/464227492.db2.gz ASGMBSAWGPJXBS-UHFFFAOYSA-N 1 2 339.867 2.032 20 10 EECDLO COc1cccc(CNC(=O)NCCCNc2cccc[nH+]2)c1O ZINC000173955302 464339091 /nfs/dbraw/zinc/33/90/91/464339091.db2.gz JFGNPRMGLFIQDP-UHFFFAOYSA-N 1 2 330.388 2.097 20 10 EECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000281714023 464557454 /nfs/dbraw/zinc/55/74/54/464557454.db2.gz OTEVNESNHUSPLD-QGZVFWFLSA-N 1 2 330.340 2.060 20 10 EECDLO CCN(CC)c1ccc(C[NH2+][C@H](C(N)=O)c2ccccn2)cc1F ZINC000295097794 464703939 /nfs/dbraw/zinc/70/39/39/464703939.db2.gz JYNQOYNSVCATRE-KRWDZBQOSA-N 1 2 330.407 2.383 20 10 EECDLO COc1cc(N2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000273464684 464716800 /nfs/dbraw/zinc/71/68/00/464716800.db2.gz HFWCHDBNGIDFRM-UHFFFAOYSA-N 1 2 329.400 2.434 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000248896252 464818305 /nfs/dbraw/zinc/81/83/05/464818305.db2.gz VBJKEQQRGZDDSG-UKRRQHHQSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000248896252 464818310 /nfs/dbraw/zinc/81/83/10/464818310.db2.gz VBJKEQQRGZDDSG-UKRRQHHQSA-N 1 2 327.808 2.434 20 10 EECDLO Cc1cccn2cc(CC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)[nH+]c12 ZINC000773768720 577363767 /nfs/dbraw/zinc/36/37/67/577363767.db2.gz ZATZCEOQAGZYGG-CYBMUJFWSA-N 1 2 339.395 2.344 20 10 EECDLO CN1CCCc2cc(CNC(=O)N[C@@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000777671679 577484640 /nfs/dbraw/zinc/48/46/40/577484640.db2.gz YMWAZIOIQPHNPN-MRXNPFEDSA-N 1 2 339.443 2.080 20 10 EECDLO Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C[NH+]3CCOCC3)sc2n1 ZINC000771186921 577611405 /nfs/dbraw/zinc/61/14/05/577611405.db2.gz WQTVBBOMFBJEND-GFCCVEGCSA-N 1 2 349.456 2.373 20 10 EECDLO COc1ccc(O)c([C@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000896165139 684869220 /nfs/dbraw/zinc/86/92/20/684869220.db2.gz VXNNIEAUXWSSPZ-ZBEGNZNMSA-N 1 2 344.415 2.382 20 10 EECDLO COc1ccc(O)c([C@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC000896165139 684869223 /nfs/dbraw/zinc/86/92/23/684869223.db2.gz VXNNIEAUXWSSPZ-ZBEGNZNMSA-N 1 2 344.415 2.382 20 10 EECDLO Oc1c(Cl)cccc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000896689995 685175149 /nfs/dbraw/zinc/17/51/49/685175149.db2.gz LXFOBWZCHGZDCA-UHFFFAOYSA-N 1 2 327.808 2.183 20 10 EECDLO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000886221474 1202481734 /nfs/dbraw/zinc/48/17/34/1202481734.db2.gz ZVYNMWYNIUVKIO-RYUDHWBXSA-N 1 2 348.212 2.313 20 10 EECDLO Cc1c(O)ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)c1O ZINC001276118229 1205782244 /nfs/dbraw/zinc/78/22/44/1205782244.db2.gz SEEBROOAYSTOBQ-AEFFLSMTSA-N 1 2 332.444 2.234 20 10 EECDLO Cc1c(O)ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)c1O ZINC001276118229 1205782246 /nfs/dbraw/zinc/78/22/46/1205782246.db2.gz SEEBROOAYSTOBQ-AEFFLSMTSA-N 1 2 332.444 2.234 20 10 EECDLO C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000926558814 1206227364 /nfs/dbraw/zinc/22/73/64/1206227364.db2.gz JEJRFAYYARMFNM-NHYWBVRUSA-N 1 2 349.385 2.189 20 10 EECDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827852043 1248830328 /nfs/dbraw/zinc/83/03/28/1248830328.db2.gz IJFHOFLHFBJLSK-LJQANCHMSA-N 1 2 345.487 2.322 20 10 EECDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827852043 1248830340 /nfs/dbraw/zinc/83/03/40/1248830340.db2.gz IJFHOFLHFBJLSK-LJQANCHMSA-N 1 2 345.487 2.322 20 10 EECDLO Cc1nc(NCCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc[nH+]1 ZINC001101664992 1246097969 /nfs/dbraw/zinc/09/79/69/1246097969.db2.gz BEKHMIBGCKDXET-UHFFFAOYSA-N 1 2 341.375 2.132 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000852434423 1292112941 /nfs/dbraw/zinc/11/29/41/1292112941.db2.gz YZMILGZWMGXLGA-CYBMUJFWSA-N 1 2 338.791 2.275 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000852434423 1292112944 /nfs/dbraw/zinc/11/29/44/1292112944.db2.gz YZMILGZWMGXLGA-CYBMUJFWSA-N 1 2 338.791 2.275 20 10 EECDLO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[NH2+]CC3(F)F)ccc21 ZINC001218238345 1297611167 /nfs/dbraw/zinc/61/11/67/1297611167.db2.gz KSMJWPJIEIUSRS-HNNXBMFYSA-N 1 2 329.302 2.448 20 10 EECDLO COc1ccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001276924503 1300287370 /nfs/dbraw/zinc/28/73/70/1300287370.db2.gz KYLXGOOLPIJMAJ-IBGZPJMESA-N 1 2 342.443 2.290 20 10 EECDLO COc1ccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001276924503 1300287377 /nfs/dbraw/zinc/28/73/77/1300287377.db2.gz KYLXGOOLPIJMAJ-IBGZPJMESA-N 1 2 342.443 2.290 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC001231547326 1303840919 /nfs/dbraw/zinc/84/09/19/1303840919.db2.gz DUASOFHHIDEUFP-ZDUSSCGKSA-N 1 2 334.185 2.070 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2CC[C@@](F)(CO)C2)c1O ZINC001231547326 1303840924 /nfs/dbraw/zinc/84/09/24/1303840924.db2.gz DUASOFHHIDEUFP-ZDUSSCGKSA-N 1 2 334.185 2.070 20 10 EECDLO COc1cc(N(C)C)ccc1CN1CC([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001231857192 1303931474 /nfs/dbraw/zinc/93/14/74/1303931474.db2.gz YNSMNIKFRRMWIV-GASCZTMLSA-N 1 2 333.476 2.055 20 10 EECDLO COc1cc(N(C)C)ccc1CN1CC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001231857192 1303931479 /nfs/dbraw/zinc/93/14/79/1303931479.db2.gz YNSMNIKFRRMWIV-GASCZTMLSA-N 1 2 333.476 2.055 20 10 EECDLO COc1cc(N(C)C)ccc1C[NH+]1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001231857192 1303931482 /nfs/dbraw/zinc/93/14/82/1303931482.db2.gz YNSMNIKFRRMWIV-GASCZTMLSA-N 1 2 333.476 2.055 20 10 EECDLO C[C@@H]1CN(C2C[NH+](Cc3cc(Cl)c(O)cc3O)C2)C[C@@H](C)O1 ZINC001232266840 1304058000 /nfs/dbraw/zinc/05/80/00/1304058000.db2.gz ZVRYUAWKDIAANK-GHMZBOCLSA-N 1 2 326.824 2.045 20 10 EECDLO Oc1cc(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cc(O)c1O ZINC001233010293 1304326907 /nfs/dbraw/zinc/32/69/07/1304326907.db2.gz NXONEDPRTUPMLA-AAEUAGOBSA-N 1 2 339.285 2.031 20 10 EECDLO Oc1cc(C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cc(O)c1O ZINC001233010293 1304326908 /nfs/dbraw/zinc/32/69/08/1304326908.db2.gz NXONEDPRTUPMLA-AAEUAGOBSA-N 1 2 339.285 2.031 20 10 EECDLO COc1cc(Cl)cc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c1O ZINC001233291324 1304418676 /nfs/dbraw/zinc/41/86/76/1304418676.db2.gz VWLRVUKCGITVQO-TXEJJXNPSA-N 1 2 340.851 2.348 20 10 EECDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454129 1304470222 /nfs/dbraw/zinc/47/02/22/1304470222.db2.gz HZGHRYCPJOJRNB-LBPRGKRZSA-N 1 2 333.306 2.175 20 10 EECDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454129 1304470224 /nfs/dbraw/zinc/47/02/24/1304470224.db2.gz HZGHRYCPJOJRNB-LBPRGKRZSA-N 1 2 333.306 2.175 20 10 EECDLO COC(=O)C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760886 1304580937 /nfs/dbraw/zinc/58/09/37/1304580937.db2.gz MZFFCHUIVIYKIX-LLVKDONJSA-N 1 2 349.305 2.055 20 10 EECDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760886 1304580940 /nfs/dbraw/zinc/58/09/40/1304580940.db2.gz MZFFCHUIVIYKIX-LLVKDONJSA-N 1 2 349.305 2.055 20 10 EECDLO COC(=O)C1CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236768152 1305667742 /nfs/dbraw/zinc/66/77/42/1305667742.db2.gz POOINLZWQDXKGZ-UHFFFAOYSA-N 1 2 344.205 2.245 20 10 EECDLO COc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c(O)c1Cl ZINC001236805951 1305684194 /nfs/dbraw/zinc/68/41/94/1305684194.db2.gz HULOFFAMXPYZFX-UHFFFAOYSA-N 1 2 326.824 2.497 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c(Br)c1 ZINC001237064139 1305784697 /nfs/dbraw/zinc/78/46/97/1305784697.db2.gz XDAOUGOBYRQEIB-ZJUUUORDSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c(Br)c1 ZINC001237064139 1305784704 /nfs/dbraw/zinc/78/47/04/1305784704.db2.gz XDAOUGOBYRQEIB-ZJUUUORDSA-N 1 2 348.212 2.316 20 10 EECDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)c(Cl)cc2O)O1 ZINC001237938683 1306155280 /nfs/dbraw/zinc/15/52/80/1306155280.db2.gz MTQZTKVDUBGWCS-BPLDGKMQSA-N 1 2 342.798 2.005 20 10 EECDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)c(Cl)cc2O)O1 ZINC001237938683 1306155284 /nfs/dbraw/zinc/15/52/84/1306155284.db2.gz MTQZTKVDUBGWCS-BPLDGKMQSA-N 1 2 342.798 2.005 20 10 EECDLO COc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)nc1OC ZINC001139107922 1314704874 /nfs/dbraw/zinc/70/48/74/1314704874.db2.gz KDSFBUBPBYBTRA-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO COc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)nc1OC ZINC001139107922 1314704878 /nfs/dbraw/zinc/70/48/78/1314704878.db2.gz KDSFBUBPBYBTRA-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO CCn1ncc(CN[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000838943076 1315195845 /nfs/dbraw/zinc/19/58/45/1315195845.db2.gz GGULUAVHNJNGPE-HNNXBMFYSA-N 1 2 349.866 2.411 20 10 EECDLO CCn1ncc(CN[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000838943076 1315195849 /nfs/dbraw/zinc/19/58/49/1315195849.db2.gz GGULUAVHNJNGPE-HNNXBMFYSA-N 1 2 349.866 2.411 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC)nc21 ZINC001203876688 1321980157 /nfs/dbraw/zinc/98/01/57/1321980157.db2.gz HUOPRAGGYXQCBO-HNNXBMFYSA-N 1 2 331.416 2.450 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC)nc21 ZINC001203876688 1321980160 /nfs/dbraw/zinc/98/01/60/1321980160.db2.gz HUOPRAGGYXQCBO-HNNXBMFYSA-N 1 2 331.416 2.450 20 10 EECDLO CCOC(=O)C[N@H+](CCC(C)(C)C(=O)OC)Cc1ccccc1O ZINC001308830678 1331606291 /nfs/dbraw/zinc/60/62/91/1331606291.db2.gz ZZMNKAOJONFBSX-UHFFFAOYSA-N 1 2 337.416 2.347 20 10 EECDLO CCOC(=O)C[N@@H+](CCC(C)(C)C(=O)OC)Cc1ccccc1O ZINC001308830678 1331606294 /nfs/dbraw/zinc/60/62/94/1331606294.db2.gz ZZMNKAOJONFBSX-UHFFFAOYSA-N 1 2 337.416 2.347 20 10 EECDLO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589951271 1349074909 /nfs/dbraw/zinc/07/49/09/1349074909.db2.gz AAQHKGSWMCLSAR-YWSWHFDRSA-N 1 2 341.415 2.181 20 10 EECDLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc(-c2nn[nH]n2)c1O ZINC001589954559 1349078472 /nfs/dbraw/zinc/07/84/72/1349078472.db2.gz HGETUVWIIYVSMY-ZANVPECISA-N 1 2 325.376 2.024 20 10 EECDLO CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)[C@@H]1CCCOC1 ZINC001590462987 1349338759 /nfs/dbraw/zinc/33/87/59/1349338759.db2.gz WKNZPILNIUYCJK-JMSVASOKSA-N 1 2 331.420 2.428 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604057280 1350842543 /nfs/dbraw/zinc/84/25/43/1350842543.db2.gz ZEJXGDDTVKXXBU-JMSVASOKSA-N 1 2 331.420 2.428 20 10 EECDLO Cc1ncsc1CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001592425136 1404031754 /nfs/dbraw/zinc/03/17/54/1404031754.db2.gz VKODEUWVUDROPN-VIFPVBQESA-N 1 2 330.417 2.231 20 10 EECDLO CCO[C@H](C)C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089810559 776060560 /nfs/dbraw/zinc/06/05/60/776060560.db2.gz RNJKMTRQNDJKQQ-OAHLLOKOSA-N 1 2 346.475 2.470 20 10 EECDLO COCC1(O)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894033913 780434401 /nfs/dbraw/zinc/43/44/01/780434401.db2.gz JQIRLTKFGLUSHK-UHFFFAOYSA-N 1 2 348.212 2.267 20 10 EECDLO COc1ccc(N2CC[C@@H](CNC(=O)CCc3c[nH+]cn3C)C2)cc1 ZINC000819589502 785598145 /nfs/dbraw/zinc/59/81/45/785598145.db2.gz RWWVXFBAVQIPBP-HNNXBMFYSA-N 1 2 342.443 2.004 20 10 EECDLO CCc1cc(=O)[nH]c(C[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844402174 789068907 /nfs/dbraw/zinc/06/89/07/789068907.db2.gz WBYNJBMSVWLTMD-UHFFFAOYSA-N 1 2 330.432 2.321 20 10 EECDLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844402174 789068915 /nfs/dbraw/zinc/06/89/15/789068915.db2.gz WBYNJBMSVWLTMD-UHFFFAOYSA-N 1 2 330.432 2.321 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCC[C@H](OC)C1 ZINC000846107335 790053192 /nfs/dbraw/zinc/05/31/92/790053192.db2.gz HRGGRAKKSVJCLA-HZUKXOBISA-N 1 2 325.380 2.368 20 10 EECDLO CC(=O)NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000715760784 795499342 /nfs/dbraw/zinc/49/93/42/795499342.db2.gz RBEQZSLIDZJZEY-UHFFFAOYSA-N 1 2 345.212 2.394 20 10 EECDLO CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1O)OCCO ZINC000715817146 795537518 /nfs/dbraw/zinc/53/75/18/795537518.db2.gz DPTILOWDDUXOTA-UHFFFAOYSA-N 1 2 336.201 2.171 20 10 EECDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(Br)c1O ZINC000787423336 807110214 /nfs/dbraw/zinc/11/02/14/807110214.db2.gz KBTHXNROJJUHIZ-XWIASGKRSA-N 1 2 339.233 2.241 20 10 EECDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Br)c1O ZINC000787423336 807110221 /nfs/dbraw/zinc/11/02/21/807110221.db2.gz KBTHXNROJJUHIZ-XWIASGKRSA-N 1 2 339.233 2.241 20 10 EECDLO COc1c(O)c(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000278269970 463959839 /nfs/dbraw/zinc/95/98/39/463959839.db2.gz RKVLEQQAZFASCX-JTQLQIEISA-N 1 2 326.349 2.081 20 10 EECDLO COc1c(O)c(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000278269970 463959843 /nfs/dbraw/zinc/95/98/43/463959843.db2.gz RKVLEQQAZFASCX-JTQLQIEISA-N 1 2 326.349 2.081 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1O ZINC000287765726 463993568 /nfs/dbraw/zinc/99/35/68/463993568.db2.gz REFRFIFIJVBBDX-RISCZKNCSA-N 1 2 346.880 2.368 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000182931298 464761364 /nfs/dbraw/zinc/76/13/64/464761364.db2.gz DDSKNRXKRIWXOZ-UHFFFAOYSA-N 1 2 336.443 2.419 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000182931298 464761367 /nfs/dbraw/zinc/76/13/67/464761367.db2.gz DDSKNRXKRIWXOZ-UHFFFAOYSA-N 1 2 336.443 2.419 20 10 EECDLO Cc1cc(Br)cc(C[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000276299533 464881702 /nfs/dbraw/zinc/88/17/02/464881702.db2.gz UPDOFDPRQXHVPN-SECBINFHSA-N 1 2 325.210 2.442 20 10 EECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(Cc3cc(C)no3)CC2)c1O ZINC000177239822 464965848 /nfs/dbraw/zinc/96/58/48/464965848.db2.gz ICPQHKALFZBMSW-UHFFFAOYSA-N 1 2 347.390 2.348 20 10 EECDLO C[C@H]1CN(C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000731844405 577127481 /nfs/dbraw/zinc/12/74/81/577127481.db2.gz GICYSKCETDFTEL-HNNXBMFYSA-N 1 2 344.411 2.235 20 10 EECDLO C[C@H]1CN(C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000731844405 577127483 /nfs/dbraw/zinc/12/74/83/577127483.db2.gz GICYSKCETDFTEL-HNNXBMFYSA-N 1 2 344.411 2.235 20 10 EECDLO COc1cc(Br)cc(CN2CCn3cc[nH+]c3C2)c1O ZINC000769257465 577573441 /nfs/dbraw/zinc/57/34/41/577573441.db2.gz GEWWFWILLXAGAZ-UHFFFAOYSA-N 1 2 338.205 2.376 20 10 EECDLO C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756490652 577845003 /nfs/dbraw/zinc/84/50/03/577845003.db2.gz QMCLEJCOSUICNI-SNVBAGLBSA-N 1 2 346.258 2.124 20 10 EECDLO COc1ccc(N2CCC[N@H+](Cc3nnc4n3CCCC4)CC2)cc1 ZINC000750517417 577993691 /nfs/dbraw/zinc/99/36/91/577993691.db2.gz ABSAMPMWCZQZIK-UHFFFAOYSA-N 1 2 341.459 2.335 20 10 EECDLO COc1ccc(N2CCC[N@@H+](Cc3nnc4n3CCCC4)CC2)cc1 ZINC000750517417 577993692 /nfs/dbraw/zinc/99/36/92/577993692.db2.gz ABSAMPMWCZQZIK-UHFFFAOYSA-N 1 2 341.459 2.335 20 10 EECDLO C[C@H]([NH2+]Cc1nncn1C)c1cc(Br)c(F)cc1O ZINC000756403125 578235627 /nfs/dbraw/zinc/23/56/27/578235627.db2.gz WTDOIGPYUTUMCO-ZETCQYMHSA-N 1 2 329.173 2.273 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCN1CCCOCC1 ZINC000894778185 683086730 /nfs/dbraw/zinc/08/67/30/683086730.db2.gz YSODQRUEKGOFJD-UHFFFAOYSA-N 1 2 347.228 2.106 20 10 EECDLO COCC[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H](O)C(F)(F)F ZINC000895184996 684255303 /nfs/dbraw/zinc/25/53/03/684255303.db2.gz YWOSSMLTSJPGNB-LLVKDONJSA-N 1 2 329.265 2.042 20 10 EECDLO COCC[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H](O)C(F)(F)F ZINC000895184996 684255308 /nfs/dbraw/zinc/25/53/08/684255308.db2.gz YWOSSMLTSJPGNB-LLVKDONJSA-N 1 2 329.265 2.042 20 10 EECDLO CC(C)=CCN1CC2(C[NH+](Cc3ccc(C)cc3O)C2)OCC1=O ZINC001272767288 1193488733 /nfs/dbraw/zinc/48/87/33/1193488733.db2.gz ZRPVQNVEERFJLD-UHFFFAOYSA-N 1 2 330.428 2.080 20 10 EECDLO COC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000825633980 1198427737 /nfs/dbraw/zinc/42/77/37/1198427737.db2.gz GVELXXCGCQHHDH-GXFFZTMASA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000825633980 1198427743 /nfs/dbraw/zinc/42/77/43/1198427743.db2.gz GVELXXCGCQHHDH-GXFFZTMASA-N 1 2 330.222 2.390 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCOC[C@H]1CCOC1 ZINC000882990980 1201992348 /nfs/dbraw/zinc/99/23/48/1201992348.db2.gz HWPSZBFSSRQKPD-JTQLQIEISA-N 1 2 348.212 2.437 20 10 EECDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883079547 1202007841 /nfs/dbraw/zinc/00/78/41/1202007841.db2.gz WSTLWXYZXIWINS-PWSUYJOCSA-N 1 2 345.212 2.298 20 10 EECDLO C[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCC(=O)N1 ZINC000883140387 1202019565 /nfs/dbraw/zinc/01/95/65/1202019565.db2.gz RTTRFVXLAUWUFU-CYBMUJFWSA-N 1 2 331.185 2.052 20 10 EECDLO CN(C)c1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000043862348 1208332499 /nfs/dbraw/zinc/33/24/99/1208332499.db2.gz LMVQTIFIRQNMQE-UHFFFAOYSA-N 1 2 327.432 2.449 20 10 EECDLO CC(C)(C)NC(=O)c1noc2c1C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001277192622 1301745830 /nfs/dbraw/zinc/74/58/30/1301745830.db2.gz RDACRKBGVDYLLO-UHFFFAOYSA-N 1 2 345.399 2.172 20 10 EECDLO CC(C)(C)NC(=O)c1noc2c1C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001277192622 1301745832 /nfs/dbraw/zinc/74/58/32/1301745832.db2.gz RDACRKBGVDYLLO-UHFFFAOYSA-N 1 2 345.399 2.172 20 10 EECDLO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CC[C@@H]2C1 ZINC001231910908 1303944435 /nfs/dbraw/zinc/94/44/35/1303944435.db2.gz ZHIJAVFGPWTAKN-CZUORRHYSA-N 1 2 338.835 2.115 20 10 EECDLO CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC[C@@H]2C1 ZINC001231910908 1303944438 /nfs/dbraw/zinc/94/44/38/1303944438.db2.gz ZHIJAVFGPWTAKN-CZUORRHYSA-N 1 2 338.835 2.115 20 10 EECDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233012045 1304327872 /nfs/dbraw/zinc/32/78/72/1304327872.db2.gz HZGNCSGEXVRGHN-GFCCVEGCSA-N 1 2 338.404 2.245 20 10 EECDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233012045 1304327879 /nfs/dbraw/zinc/32/78/79/1304327879.db2.gz HZGNCSGEXVRGHN-GFCCVEGCSA-N 1 2 338.404 2.245 20 10 EECDLO Oc1cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc(O)c1O ZINC001233015151 1304328552 /nfs/dbraw/zinc/32/85/52/1304328552.db2.gz DJXWAUGOGDYEQJ-AWEZNQCLSA-N 1 2 328.359 2.109 20 10 EECDLO CC1([NH+]2CCOCC2)CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233335406 1304434811 /nfs/dbraw/zinc/43/48/11/1304434811.db2.gz TXPXJLOKHCRRBS-UHFFFAOYSA-N 1 2 326.387 2.357 20 10 EECDLO CC1(N2CCOCC2)CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233335406 1304434814 /nfs/dbraw/zinc/43/48/14/1304434814.db2.gz TXPXJLOKHCRRBS-UHFFFAOYSA-N 1 2 326.387 2.357 20 10 EECDLO CNC(=O)C1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235296577 1305180399 /nfs/dbraw/zinc/18/03/99/1305180399.db2.gz LALJPRYODLWEDU-UHFFFAOYSA-N 1 2 345.212 2.252 20 10 EECDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1ccc(CC)cc1O ZINC001236794363 1305678969 /nfs/dbraw/zinc/67/89/69/1305678969.db2.gz LGDIYMUYGVNNGA-UHFFFAOYSA-N 1 2 337.416 2.273 20 10 EECDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1ccc(CC)cc1O ZINC001236794363 1305678976 /nfs/dbraw/zinc/67/89/76/1305678976.db2.gz LGDIYMUYGVNNGA-UHFFFAOYSA-N 1 2 337.416 2.273 20 10 EECDLO O=C1COCCN1C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237623285 1306011924 /nfs/dbraw/zinc/01/19/24/1306011924.db2.gz LPCRKUYQTQGRTK-UHFFFAOYSA-N 1 2 342.798 2.008 20 10 EECDLO O=C1[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2CN1CC1CC1 ZINC001237801724 1306100073 /nfs/dbraw/zinc/10/00/73/1306100073.db2.gz UUWRVFZGLLXRCZ-JSGCOSHPSA-N 1 2 338.810 2.485 20 10 EECDLO O=C1[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2CN1CC1CC1 ZINC001237801724 1306100082 /nfs/dbraw/zinc/10/00/82/1306100082.db2.gz UUWRVFZGLLXRCZ-JSGCOSHPSA-N 1 2 338.810 2.485 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CC(F)(F)C[NH2+]1 ZINC001161134566 1320398121 /nfs/dbraw/zinc/39/81/21/1320398121.db2.gz CTQIWCYZCOKDLQ-MRXNPFEDSA-N 1 2 325.403 2.488 20 10 EECDLO CC(=O)N1CC[N@H+](Cc2c(O)cccc2Br)C[C@H]1C ZINC001140103311 1314811531 /nfs/dbraw/zinc/81/15/31/1314811531.db2.gz JBTGKYZRZAYCBN-SNVBAGLBSA-N 1 2 327.222 2.207 20 10 EECDLO COc1cc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)cc(O)c1O ZINC001204342194 1322117975 /nfs/dbraw/zinc/11/79/75/1322117975.db2.gz JNQFIFTYYAYNBR-UHFFFAOYSA-N 1 2 329.352 2.393 20 10 EECDLO COc1cc(C[N@H+]2CCc3cc4c(cc3C2)OCO4)cc(O)c1O ZINC001204342194 1322117986 /nfs/dbraw/zinc/11/79/86/1322117986.db2.gz JNQFIFTYYAYNBR-UHFFFAOYSA-N 1 2 329.352 2.393 20 10 EECDLO Cc1cc(Br)c(O)c(CN2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205725474 1323269086 /nfs/dbraw/zinc/26/90/86/1323269086.db2.gz IEVDMLIBGRCVKR-HNNXBMFYSA-N 1 2 343.265 2.139 20 10 EECDLO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001589978984 1349090678 /nfs/dbraw/zinc/09/06/78/1349090678.db2.gz UDGQTATZSWDIAZ-IAQYHMDHSA-N 1 2 331.420 2.020 20 10 EECDLO CC[C@H]([NH2+]CCc1ccns1)c1cccc(-c2nn[nH]n2)c1O ZINC001590470193 1349345097 /nfs/dbraw/zinc/34/50/97/1349345097.db2.gz PBUGNQRDIVMTBO-ZDUSSCGKSA-N 1 2 330.417 2.312 20 10 EECDLO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)cc1 ZINC001592199227 1349604801 /nfs/dbraw/zinc/60/48/01/1349604801.db2.gz LMVPDPBRSQQNQH-MLGOLLRUSA-N 1 2 339.399 2.265 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001604055562 1350841653 /nfs/dbraw/zinc/84/16/53/1350841653.db2.gz NOSGMVMUVDZEEQ-JMSVASOKSA-N 1 2 331.420 2.286 20 10 EECDLO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)cnn1C ZINC001605483509 1351168789 /nfs/dbraw/zinc/16/87/89/1351168789.db2.gz FAPAJKUJLURBIX-ZJUUUORDSA-N 1 2 327.392 2.026 20 10 EECDLO CC(C)[N@@H+]1C[C@]2(F)CN(Cc3ccc(N(C)C)cc3)C(=O)[C@]2(F)C1 ZINC001273926104 1368876004 /nfs/dbraw/zinc/87/60/04/1368876004.db2.gz WAVYBOVQEPAGAT-QZTJIDSGSA-N 1 2 337.414 2.235 20 10 EECDLO CC(C)[N@H+]1C[C@]2(F)CN(Cc3ccc(N(C)C)cc3)C(=O)[C@]2(F)C1 ZINC001273926104 1368876008 /nfs/dbraw/zinc/87/60/08/1368876008.db2.gz WAVYBOVQEPAGAT-QZTJIDSGSA-N 1 2 337.414 2.235 20 10 EECDLO CC(C)(C)N1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC001140286177 1372556542 /nfs/dbraw/zinc/55/65/42/1372556542.db2.gz YZGZJOIRPNBPHY-UHFFFAOYSA-N 1 2 345.487 2.090 20 10 EECDLO CC(C)(C)N1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC001140286177 1372556546 /nfs/dbraw/zinc/55/65/46/1372556546.db2.gz YZGZJOIRPNBPHY-UHFFFAOYSA-N 1 2 345.487 2.090 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)c3ccon3)CC2)c(C)c(C)[nH+]1 ZINC001089809058 776059409 /nfs/dbraw/zinc/05/94/09/776059409.db2.gz WVQXBNSSHCFVNN-UHFFFAOYSA-N 1 2 341.415 2.346 20 10 EECDLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000893946803 780332746 /nfs/dbraw/zinc/33/27/46/780332746.db2.gz RAROZIXSJDJXDW-DTWKUNHWSA-N 1 2 345.212 2.380 20 10 EECDLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000893946803 780332753 /nfs/dbraw/zinc/33/27/53/780332753.db2.gz RAROZIXSJDJXDW-DTWKUNHWSA-N 1 2 345.212 2.380 20 10 EECDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894020047 780408961 /nfs/dbraw/zinc/40/89/61/780408961.db2.gz LHZXFBNJOXBNOJ-SECBINFHSA-N 1 2 345.212 2.252 20 10 EECDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894020047 780408965 /nfs/dbraw/zinc/40/89/65/780408965.db2.gz LHZXFBNJOXBNOJ-SECBINFHSA-N 1 2 345.212 2.252 20 10 EECDLO COc1ccc(N2CCN(Cc3c[nH+]c4n3CCC4)CC2)cc1F ZINC000824920596 788356860 /nfs/dbraw/zinc/35/68/60/788356860.db2.gz RZJVYANJBBWROA-UHFFFAOYSA-N 1 2 330.407 2.299 20 10 EECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCSc1nccs1 ZINC000165090985 789374908 /nfs/dbraw/zinc/37/49/08/789374908.db2.gz HKORGCCECBIHAH-LLVKDONJSA-N 1 2 325.463 2.210 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1 ZINC001176063413 798340713 /nfs/dbraw/zinc/34/07/13/798340713.db2.gz YQROVJZJVFTPNA-KRWDZBQOSA-N 1 2 349.475 2.166 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1 ZINC001176063413 798340718 /nfs/dbraw/zinc/34/07/18/798340718.db2.gz YQROVJZJVFTPNA-KRWDZBQOSA-N 1 2 349.475 2.166 20 10 EECDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1O ZINC000091924389 533482391 /nfs/dbraw/zinc/48/23/91/533482391.db2.gz RFBBXGOXLFGNIR-UHFFFAOYSA-N 1 2 342.395 2.064 20 10 EECDLO O=C(C[NH+](CCO)CCO)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000153707494 462681252 /nfs/dbraw/zinc/68/12/52/462681252.db2.gz LXWVTVSRWIMGMS-QZQOTICOSA-N 1 2 342.399 2.327 20 10 EECDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[S@@](=O)C1 ZINC000277612914 463923634 /nfs/dbraw/zinc/92/36/34/463923634.db2.gz WNJDOUXCJXJJHJ-XTZNXHDOSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[S@@](=O)C1 ZINC000277612914 463923640 /nfs/dbraw/zinc/92/36/40/463923640.db2.gz WNJDOUXCJXJJHJ-XTZNXHDOSA-N 1 2 332.263 2.355 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000277764144 463930857 /nfs/dbraw/zinc/93/08/57/463930857.db2.gz MLJCJUOGGQSBME-CQSZACIVSA-N 1 2 343.420 2.133 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000277764144 463930862 /nfs/dbraw/zinc/93/08/62/463930862.db2.gz MLJCJUOGGQSBME-CQSZACIVSA-N 1 2 343.420 2.133 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)CC ZINC000278412079 463964774 /nfs/dbraw/zinc/96/47/74/463964774.db2.gz QCFDYMBTLSZEDW-MFKMUULPSA-N 1 2 340.376 2.376 20 10 EECDLO Nc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000262682871 464038295 /nfs/dbraw/zinc/03/82/95/464038295.db2.gz WTVSAESLTCETMU-UHFFFAOYSA-N 1 2 325.412 2.282 20 10 EECDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180870602 464410967 /nfs/dbraw/zinc/41/09/67/464410967.db2.gz PXKBOFYTCHBGHR-ZKKXHLJNSA-N 1 2 341.411 2.326 20 10 EECDLO Cn1ccnc1[C@](O)(C[NH2+]Cc1cccc(Cl)c1O)C(F)(F)F ZINC000271996613 464439895 /nfs/dbraw/zinc/43/98/95/464439895.db2.gz TVIFXUBKHUGBSR-CYBMUJFWSA-N 1 2 349.740 2.319 20 10 EECDLO CS[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1N(C)C ZINC000272042990 464459294 /nfs/dbraw/zinc/45/92/94/464459294.db2.gz OZYMIEWTVYJONQ-HUUCEWRRSA-N 1 2 326.437 2.211 20 10 EECDLO CS[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1N(C)C ZINC000272042990 464459300 /nfs/dbraw/zinc/45/93/00/464459300.db2.gz OZYMIEWTVYJONQ-HUUCEWRRSA-N 1 2 326.437 2.211 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)cc1F ZINC000374826384 466754832 /nfs/dbraw/zinc/75/48/32/466754832.db2.gz YNLPCLSHJACGGY-ZDUSSCGKSA-N 1 2 347.438 2.374 20 10 EECDLO COCC1(NC(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)CC1 ZINC000766941424 577527396 /nfs/dbraw/zinc/52/73/96/577527396.db2.gz VSUONTWTJCLWBO-UHFFFAOYSA-N 1 2 333.432 2.142 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CCNC(=O)[C@H]2c2cccs2)c1O ZINC000754735772 577811713 /nfs/dbraw/zinc/81/17/13/577811713.db2.gz BIFMVAYYLOYRMH-OAHLLOKOSA-N 1 2 332.425 2.444 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CCNC(=O)[C@H]2c2cccs2)c1O ZINC000754735772 577811714 /nfs/dbraw/zinc/81/17/14/577811714.db2.gz BIFMVAYYLOYRMH-OAHLLOKOSA-N 1 2 332.425 2.444 20 10 EECDLO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000756477140 577844766 /nfs/dbraw/zinc/84/47/66/577844766.db2.gz XLFFZNLMWPLCIU-GFCCVEGCSA-N 1 2 329.356 2.267 20 10 EECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccoc3C)CC2)cc1 ZINC000742927122 577878037 /nfs/dbraw/zinc/87/80/37/577878037.db2.gz JGKYOWUYFGHIBM-UHFFFAOYSA-N 1 2 343.427 2.149 20 10 EECDLO Cc1nc(N(C)C)nc(NCc2cc(Br)ccc2O)[nH+]1 ZINC000804826799 675650446 /nfs/dbraw/zinc/65/04/46/675650446.db2.gz GQWODRJMVBCREU-UHFFFAOYSA-N 1 2 338.209 2.326 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781907705 679288323 /nfs/dbraw/zinc/28/83/23/679288323.db2.gz DVUGQSCQJJZARC-LBPRGKRZSA-N 1 2 330.222 2.310 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781907705 679288325 /nfs/dbraw/zinc/28/83/25/679288325.db2.gz DVUGQSCQJJZARC-LBPRGKRZSA-N 1 2 330.222 2.310 20 10 EECDLO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000794839166 1198211861 /nfs/dbraw/zinc/21/18/61/1198211861.db2.gz YZUUXWOVQOUNOR-IONNQARKSA-N 1 2 338.629 2.466 20 10 EECDLO COC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000794839162 1198212464 /nfs/dbraw/zinc/21/24/64/1198212464.db2.gz YZUUXWOVQOUNOR-APPZFPTMSA-N 1 2 338.629 2.466 20 10 EECDLO COc1ccc(O)c(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000811805571 1200319300 /nfs/dbraw/zinc/31/93/00/1200319300.db2.gz WYTDMFCXAWMAAR-UHFFFAOYSA-N 1 2 332.429 2.356 20 10 EECDLO COc1ccc(O)c(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000811805571 1200319307 /nfs/dbraw/zinc/31/93/07/1200319307.db2.gz WYTDMFCXAWMAAR-UHFFFAOYSA-N 1 2 332.429 2.356 20 10 EECDLO Cc1ncsc1CN1CCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275419176 1205351653 /nfs/dbraw/zinc/35/16/53/1205351653.db2.gz RVDSLLSRUZOQDS-UHFFFAOYSA-N 1 2 331.441 2.323 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000194458194 1211196433 /nfs/dbraw/zinc/19/64/33/1211196433.db2.gz RKMQZFCEROLAKJ-INIZCTEOSA-N 1 2 348.491 2.053 20 10 EECDLO O=C(CCc1ccc[nH]1)N1CCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001276354045 1213897464 /nfs/dbraw/zinc/89/74/64/1213897464.db2.gz DXCWAWRQPQBRDA-UHFFFAOYSA-N 1 2 343.402 2.279 20 10 EECDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[S@@](=O)C1 ZINC000862347120 1295802092 /nfs/dbraw/zinc/80/20/92/1295802092.db2.gz NILZSVSHDHAPSY-XTZNXHDOSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[S@@](=O)C1 ZINC000862347120 1295802110 /nfs/dbraw/zinc/80/21/10/1295802110.db2.gz NILZSVSHDHAPSY-XTZNXHDOSA-N 1 2 332.263 2.355 20 10 EECDLO Oc1cccc(Br)c1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000862413064 1295837172 /nfs/dbraw/zinc/83/71/72/1295837172.db2.gz HFQGGOWJLPKICE-GFCCVEGCSA-N 1 2 341.249 2.061 20 10 EECDLO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2cccc(Cl)c2O)C3)n1 ZINC001231910797 1303944162 /nfs/dbraw/zinc/94/41/62/1303944162.db2.gz WOZAYOITIQCHDQ-MLGOLLRUSA-N 1 2 335.791 2.137 20 10 EECDLO Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2cccc(Cl)c2O)C3)n1 ZINC001231910797 1303944166 /nfs/dbraw/zinc/94/41/66/1303944166.db2.gz WOZAYOITIQCHDQ-MLGOLLRUSA-N 1 2 335.791 2.137 20 10 EECDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202660 1304035913 /nfs/dbraw/zinc/03/59/13/1304035913.db2.gz DOMAXUQPKXMGBN-MRXNPFEDSA-N 1 2 337.851 2.016 20 10 EECDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202660 1304035919 /nfs/dbraw/zinc/03/59/19/1304035919.db2.gz DOMAXUQPKXMGBN-MRXNPFEDSA-N 1 2 337.851 2.016 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3cnsc3)CC2)cc1 ZINC001232229171 1304045950 /nfs/dbraw/zinc/04/59/50/1304045950.db2.gz GHBQAADCBPLGDP-UHFFFAOYSA-N 1 2 333.457 2.491 20 10 EECDLO Oc1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc(O)c1O ZINC001233011509 1304326004 /nfs/dbraw/zinc/32/60/04/1304326004.db2.gz BMACABZLMWHJGM-UHFFFAOYSA-N 1 2 332.375 2.260 20 10 EECDLO Oc1cc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cc(O)c1O ZINC001233014946 1304328536 /nfs/dbraw/zinc/32/85/36/1304328536.db2.gz CAUNRAMLDVSYNN-HNNXBMFYSA-N 1 2 342.386 2.499 20 10 EECDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)c(OC)cc1O ZINC001233140564 1304373360 /nfs/dbraw/zinc/37/33/60/1304373360.db2.gz MRHVPSOKFXYGCI-QMMMGPOBSA-N 1 2 332.194 2.157 20 10 EECDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)c(OC)cc1O ZINC001233140564 1304373364 /nfs/dbraw/zinc/37/33/64/1304373364.db2.gz MRHVPSOKFXYGCI-QMMMGPOBSA-N 1 2 332.194 2.157 20 10 EECDLO COc1cnc(O[C@@H]2CC[N@H+](Cc3c(O)ccc(F)c3F)C2)nc1 ZINC001233336537 1304436396 /nfs/dbraw/zinc/43/63/96/1304436396.db2.gz PACVIBCZTZRITO-SNVBAGLBSA-N 1 2 337.326 2.122 20 10 EECDLO COc1cnc(O[C@@H]2CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)nc1 ZINC001233336537 1304436399 /nfs/dbraw/zinc/43/63/99/1304436399.db2.gz PACVIBCZTZRITO-SNVBAGLBSA-N 1 2 337.326 2.122 20 10 EECDLO C[NH+]1CC2(C1)CCN(Cc1cc(F)cc(Br)c1O)C2 ZINC001235306924 1305185138 /nfs/dbraw/zinc/18/51/38/1305185138.db2.gz ZCOHZWHYXUMSMV-UHFFFAOYSA-N 1 2 329.213 2.431 20 10 EECDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCO1 ZINC001237061467 1305783366 /nfs/dbraw/zinc/78/33/66/1305783366.db2.gz GBNDITGCVDEDAQ-AWEZNQCLSA-N 1 2 333.306 2.123 20 10 EECDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCO1 ZINC001237061467 1305783377 /nfs/dbraw/zinc/78/33/77/1305783377.db2.gz GBNDITGCVDEDAQ-AWEZNQCLSA-N 1 2 333.306 2.123 20 10 EECDLO O=C1N[C@H]2C[N@H+](Cc3cccc(Br)c3O)CC[C@@H]2CO1 ZINC000843434226 1315914730 /nfs/dbraw/zinc/91/47/30/1315914730.db2.gz ACBYOGZSDUAYEW-PWSUYJOCSA-N 1 2 341.205 2.085 20 10 EECDLO O=C1N[C@H]2C[N@@H+](Cc3cccc(Br)c3O)CC[C@@H]2CO1 ZINC000843434226 1315914731 /nfs/dbraw/zinc/91/47/31/1315914731.db2.gz ACBYOGZSDUAYEW-PWSUYJOCSA-N 1 2 341.205 2.085 20 10 EECDLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139126438 1314707317 /nfs/dbraw/zinc/70/73/17/1314707317.db2.gz HIBFNGPUWDMRNI-GFCCVEGCSA-N 1 2 331.368 2.192 20 10 EECDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139126438 1314707320 /nfs/dbraw/zinc/70/73/20/1314707320.db2.gz HIBFNGPUWDMRNI-GFCCVEGCSA-N 1 2 331.368 2.192 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001139133210 1314708808 /nfs/dbraw/zinc/70/88/08/1314708808.db2.gz FJEHGPTZPZABQM-UHFFFAOYSA-N 1 2 342.395 2.052 20 10 EECDLO CCOC(=O)CCCOc1ccc(C[NH+]2CC3(CCO3)C2)c(O)c1 ZINC001249738444 1317161172 /nfs/dbraw/zinc/16/11/72/1317161172.db2.gz SDGSNPSQYLMPGK-UHFFFAOYSA-N 1 2 335.400 2.089 20 10 EECDLO CCOC1CCC([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)CC1 ZINC001256424329 1318735437 /nfs/dbraw/zinc/73/54/37/1318735437.db2.gz VDDBGQVOUXZPLZ-NRXISQOPSA-N 1 2 337.416 2.119 20 10 EECDLO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589959964 1349081246 /nfs/dbraw/zinc/08/12/46/1349081246.db2.gz YEKPEUQAEQFJAS-TZMCWYRMSA-N 1 2 345.447 2.412 20 10 EECDLO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589964777 1349082955 /nfs/dbraw/zinc/08/29/55/1349082955.db2.gz SNTFBDYPGDFPGD-RYUDHWBXSA-N 1 2 337.383 2.399 20 10 EECDLO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463077 1349339256 /nfs/dbraw/zinc/33/92/56/1349339256.db2.gz GVJBBGKBWYNLEL-CVEARBPZSA-N 1 2 339.399 2.347 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(-c2nn[nH]n2)c1O ZINC001603668410 1350737978 /nfs/dbraw/zinc/73/79/78/1350737978.db2.gz VIMUIAKFTDGPOV-LLVKDONJSA-N 1 2 337.383 2.453 20 10 EECDLO CC[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055326 1350841684 /nfs/dbraw/zinc/84/16/84/1350841684.db2.gz MGISQVWYHWDIDF-CQSZACIVSA-N 1 2 343.431 2.308 20 10 EECDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000783728600 1371362630 /nfs/dbraw/zinc/36/26/30/1371362630.db2.gz MQNLGTPRNCJZEI-SFHVURJKSA-N 1 2 349.450 2.009 20 10 EECDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000783728600 1371362634 /nfs/dbraw/zinc/36/26/34/1371362634.db2.gz MQNLGTPRNCJZEI-SFHVURJKSA-N 1 2 349.450 2.009 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CC(N(C)C3COC3)C2)c(OC)c1 ZINC001138388933 1372388937 /nfs/dbraw/zinc/38/89/37/1372388937.db2.gz BIBFSKILNNCPOD-UHFFFAOYSA-N 1 2 333.476 2.056 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000809764262 783369587 /nfs/dbraw/zinc/36/95/87/783369587.db2.gz HQZBVMWKWPFODA-JTQLQIEISA-N 1 2 327.222 2.174 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000809764262 783369589 /nfs/dbraw/zinc/36/95/89/783369589.db2.gz HQZBVMWKWPFODA-JTQLQIEISA-N 1 2 327.222 2.174 20 10 EECDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809765704 783370302 /nfs/dbraw/zinc/37/03/02/783370302.db2.gz QZQKVFUFFCBYJZ-CQSZACIVSA-N 1 2 346.431 2.296 20 10 EECDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809765704 783370307 /nfs/dbraw/zinc/37/03/07/783370307.db2.gz QZQKVFUFFCBYJZ-CQSZACIVSA-N 1 2 346.431 2.296 20 10 EECDLO COc1ccc(N2CC[C@@H](CNc3[nH+]cnc4c3cnn4C)C2)cc1 ZINC000819003463 785360631 /nfs/dbraw/zinc/36/06/31/785360631.db2.gz DCWDLRSKALUBCC-ZDUSSCGKSA-N 1 2 338.415 2.310 20 10 EECDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000790624042 808848585 /nfs/dbraw/zinc/84/85/85/808848585.db2.gz YDZBKCNRZVTHMY-UHFFFAOYSA-N 1 2 334.395 2.379 20 10 EECDLO Oc1ccc(Cl)c(F)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000792157366 809619811 /nfs/dbraw/zinc/61/98/11/809619811.db2.gz VLOPZVNETVWZED-GFCCVEGCSA-N 1 2 328.815 2.481 20 10 EECDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1O ZINC000158471771 463237055 /nfs/dbraw/zinc/23/70/55/463237055.db2.gz WXEFHNOUHRGONX-UHFFFAOYSA-N 1 2 330.384 2.342 20 10 EECDLO O=C(/C=C\c1cccnc1)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000255507956 463730497 /nfs/dbraw/zinc/73/04/97/463730497.db2.gz PFSFQCDLEDZDRW-HJWRWDBZSA-N 1 2 337.423 2.460 20 10 EECDLO COCc1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000182650824 464701562 /nfs/dbraw/zinc/70/15/62/464701562.db2.gz AIEPHTZAIYDDIF-CQSZACIVSA-N 1 2 333.388 2.103 20 10 EECDLO COCc1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000182650824 464701567 /nfs/dbraw/zinc/70/15/67/464701567.db2.gz AIEPHTZAIYDDIF-CQSZACIVSA-N 1 2 333.388 2.103 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000177285591 464978420 /nfs/dbraw/zinc/97/84/20/464978420.db2.gz MEHYKCLHBAXUDP-UHFFFAOYSA-N 1 2 336.407 2.424 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000177285591 464978425 /nfs/dbraw/zinc/97/84/25/464978425.db2.gz MEHYKCLHBAXUDP-UHFFFAOYSA-N 1 2 336.407 2.424 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3cnn(C)c3)CC2)c1O ZINC000177362619 464995742 /nfs/dbraw/zinc/99/57/42/464995742.db2.gz CQRKVDDPNVEMPO-UHFFFAOYSA-N 1 2 348.834 2.304 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000582166865 468504535 /nfs/dbraw/zinc/50/45/35/468504535.db2.gz LNMFERXBHYRQMF-UHFFFAOYSA-N 1 2 325.416 2.262 20 10 EECDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364478131 466702327 /nfs/dbraw/zinc/70/23/27/466702327.db2.gz SQIMDIRDIFJEAP-TXTHVTMNSA-N 1 2 326.352 2.186 20 10 EECDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000768226962 577552372 /nfs/dbraw/zinc/55/23/72/577552372.db2.gz DGWJYRJYLHTPBH-CYBMUJFWSA-N 1 2 325.430 2.271 20 10 EECDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1cccc(OCC)c1O ZINC000768226962 577552373 /nfs/dbraw/zinc/55/23/73/577552373.db2.gz DGWJYRJYLHTPBH-CYBMUJFWSA-N 1 2 325.430 2.271 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3cccc(OC)n3)CC2)cc1 ZINC000752305477 577768812 /nfs/dbraw/zinc/76/88/12/577768812.db2.gz KGEFUENMNWZRJQ-UHFFFAOYSA-N 1 2 341.411 2.498 20 10 EECDLO COC[C@H]1CCCN1C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000752954320 577779048 /nfs/dbraw/zinc/77/90/48/577779048.db2.gz DVBKIZVGZDEWQC-QGZVFWFLSA-N 1 2 347.459 2.484 20 10 EECDLO COc1ccc(N2CC[NH+](CCNc3nccnc3Cl)CC2)cc1 ZINC000892083238 677984476 /nfs/dbraw/zinc/98/44/76/677984476.db2.gz GJHNURFGMGBLPS-UHFFFAOYSA-N 1 2 347.850 2.373 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)cc1F ZINC000895982234 684795069 /nfs/dbraw/zinc/79/50/69/684795069.db2.gz ZOYPTMULHXOGOD-QGZVFWFLSA-N 1 2 345.422 2.312 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)cc1F ZINC000895982234 684795071 /nfs/dbraw/zinc/79/50/71/684795071.db2.gz ZOYPTMULHXOGOD-QGZVFWFLSA-N 1 2 345.422 2.312 20 10 EECDLO CCN1CCC[N@H+](Cc2ccc(Br)cc2O)CC1=O ZINC000825652516 1198495233 /nfs/dbraw/zinc/49/52/33/1198495233.db2.gz TWZHKBFLHDPPFL-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO CCN1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1=O ZINC000825652516 1198495237 /nfs/dbraw/zinc/49/52/37/1198495237.db2.gz TWZHKBFLHDPPFL-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001274656162 1205118752 /nfs/dbraw/zinc/11/87/52/1205118752.db2.gz NBOOHDMANXSHBV-LBPRGKRZSA-N 1 2 338.835 2.402 20 10 EECDLO COc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2c[nH+]cn2C)cc1 ZINC001274791025 1205163290 /nfs/dbraw/zinc/16/32/90/1205163290.db2.gz OEMZAMPVIRISPH-QZTJIDSGSA-N 1 2 340.427 2.199 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001275774192 1205521036 /nfs/dbraw/zinc/52/10/36/1205521036.db2.gz OSXKJOWXGGMLPE-GASCZTMLSA-N 1 2 349.381 2.084 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001275774192 1205521037 /nfs/dbraw/zinc/52/10/37/1205521037.db2.gz OSXKJOWXGGMLPE-GASCZTMLSA-N 1 2 349.381 2.084 20 10 EECDLO O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC000930523465 1206564580 /nfs/dbraw/zinc/56/45/80/1206564580.db2.gz OJVMAZMEQGPQDO-UHFFFAOYSA-N 1 2 336.395 2.330 20 10 EECDLO O=C(NCCCn1cc[nH+]c1)NCc1ccc(N2CCCC2)cc1 ZINC000047597501 1208418626 /nfs/dbraw/zinc/41/86/26/1208418626.db2.gz JAXCMJJZCRQVJJ-UHFFFAOYSA-N 1 2 327.432 2.373 20 10 EECDLO O=C(NCC(F)(F)F)N1CCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001276360456 1214546620 /nfs/dbraw/zinc/54/66/20/1214546620.db2.gz UFWHVOOPWDMQMM-UHFFFAOYSA-N 1 2 347.312 2.063 20 10 EECDLO C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C(F)(F)F)c1[O-] ZINC000854231455 1292681569 /nfs/dbraw/zinc/68/15/69/1292681569.db2.gz DJJTWPOTVPSWOX-MRVPVSSYSA-N 1 2 342.321 2.216 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1cccc(C)c1O ZINC001231592483 1303859133 /nfs/dbraw/zinc/85/91/33/1303859133.db2.gz RPONGFKOTVNAGY-QGZVFWFLSA-N 1 2 342.443 2.448 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1cccc(C)c1O ZINC001231592483 1303859141 /nfs/dbraw/zinc/85/91/41/1303859141.db2.gz RPONGFKOTVNAGY-QGZVFWFLSA-N 1 2 342.443 2.448 20 10 EECDLO COc1cc(N(C)C)ccc1CN1CC([N@@H+]2CCOC(C)(C)C2)C1 ZINC001231854420 1303932279 /nfs/dbraw/zinc/93/22/79/1303932279.db2.gz GVFVCSNXFRAPIH-UHFFFAOYSA-N 1 2 333.476 2.056 20 10 EECDLO COc1cc(N(C)C)ccc1CN1CC([N@H+]2CCOC(C)(C)C2)C1 ZINC001231854420 1303932281 /nfs/dbraw/zinc/93/22/81/1303932281.db2.gz GVFVCSNXFRAPIH-UHFFFAOYSA-N 1 2 333.476 2.056 20 10 EECDLO COc1cc(N(C)C)ccc1C[NH+]1CC(N2CCOC(C)(C)C2)C1 ZINC001231854420 1303932286 /nfs/dbraw/zinc/93/22/86/1303932286.db2.gz GVFVCSNXFRAPIH-UHFFFAOYSA-N 1 2 333.476 2.056 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3nccc(C)n3)CC2)cc1Cl ZINC001232270619 1304060595 /nfs/dbraw/zinc/06/05/95/1304060595.db2.gz IBRGYEJTVZJFTG-UHFFFAOYSA-N 1 2 348.834 2.475 20 10 EECDLO O=C1NCC[C@]12CC[N@@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233027953 1304334423 /nfs/dbraw/zinc/33/44/23/1304334423.db2.gz GUOBOGBHGRIHLI-CQSZACIVSA-N 1 2 343.196 2.006 20 10 EECDLO O=C1NCC[C@]12CC[N@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233027953 1304334425 /nfs/dbraw/zinc/33/44/25/1304334425.db2.gz GUOBOGBHGRIHLI-CQSZACIVSA-N 1 2 343.196 2.006 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCC3(C2)OCCO3)c(Br)c1 ZINC001237058567 1305780149 /nfs/dbraw/zinc/78/01/49/1305780149.db2.gz GOBSYULQXAGYTO-UHFFFAOYSA-N 1 2 344.205 2.112 20 10 EECDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)c(Cl)cc2O)O1 ZINC001237938684 1306155447 /nfs/dbraw/zinc/15/54/47/1306155447.db2.gz MTQZTKVDUBGWCS-YUELXQCFSA-N 1 2 342.798 2.005 20 10 EECDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)c(Cl)cc2O)O1 ZINC001237938684 1306155450 /nfs/dbraw/zinc/15/54/50/1306155450.db2.gz MTQZTKVDUBGWCS-YUELXQCFSA-N 1 2 342.798 2.005 20 10 EECDLO Oc1cc(F)cc(F)c1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001140581328 1314909378 /nfs/dbraw/zinc/90/93/78/1314909378.db2.gz VAJITWHSHFWNTP-VXGBXAGGSA-N 1 2 332.354 2.029 20 10 EECDLO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000843123859 1315848364 /nfs/dbraw/zinc/84/83/64/1315848364.db2.gz QRFNKXUJCDCOII-LBPRGKRZSA-N 1 2 333.215 2.036 20 10 EECDLO CC1(C)C=Cc2c(O)c(CN3CC[NH+]([C@@H]4CCOC4)CC3)ccc2O1 ZINC001249223652 1317028437 /nfs/dbraw/zinc/02/84/37/1317028437.db2.gz LKNWUKYCZCFEKW-MRXNPFEDSA-N 1 2 344.455 2.483 20 10 EECDLO Cc1cc(C[N@H+]2CCCN(C)C(=O)C2)c(O)cc1Br ZINC001250128900 1317216691 /nfs/dbraw/zinc/21/66/91/1317216691.db2.gz OKEOPOBLEDQHHX-UHFFFAOYSA-N 1 2 327.222 2.127 20 10 EECDLO Cc1cc(C[N@@H+]2CCCN(C)C(=O)C2)c(O)cc1Br ZINC001250128900 1317216697 /nfs/dbraw/zinc/21/66/97/1317216697.db2.gz OKEOPOBLEDQHHX-UHFFFAOYSA-N 1 2 327.222 2.127 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326420 1322113391 /nfs/dbraw/zinc/11/33/91/1322113391.db2.gz XYAGNLILMWRODQ-KRWDZBQOSA-N 1 2 330.428 2.241 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326420 1322113396 /nfs/dbraw/zinc/11/33/96/1322113396.db2.gz XYAGNLILMWRODQ-KRWDZBQOSA-N 1 2 330.428 2.241 20 10 EECDLO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589951269 1349075837 /nfs/dbraw/zinc/07/58/37/1349075837.db2.gz AAQHKGSWMCLSAR-SQWYCQTGSA-N 1 2 341.415 2.181 20 10 EECDLO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978543 1349089578 /nfs/dbraw/zinc/08/95/78/1349089578.db2.gz NZGSRDUBMRXUQC-RNCFNFMXSA-N 1 2 331.401 2.018 20 10 EECDLO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603657360 1350735343 /nfs/dbraw/zinc/73/53/43/1350735343.db2.gz LZYDSURNJKGPHT-RYUDHWBXSA-N 1 2 329.404 2.325 20 10 EECDLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604612532 1350970234 /nfs/dbraw/zinc/97/02/34/1350970234.db2.gz IZGJQHHELHCEJO-MNOVXSKESA-N 1 2 327.392 2.201 20 10 EECDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3c(O)cccc3Br)[C@H]2C1 ZINC001140099968 757558869 /nfs/dbraw/zinc/55/88/69/757558869.db2.gz ABUARCPFXQZPFI-XEGUGMAKSA-N 1 2 342.233 2.126 20 10 EECDLO NC(=O)CC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893947182 780333999 /nfs/dbraw/zinc/33/39/99/780333999.db2.gz TYAZNGWRAQFKIY-UHFFFAOYSA-N 1 2 345.212 2.381 20 10 EECDLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000818344391 785246965 /nfs/dbraw/zinc/24/69/65/785246965.db2.gz MVXKJECFMUCREJ-CYBMUJFWSA-N 1 2 347.438 2.433 20 10 EECDLO OC[C@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000708133476 786753019 /nfs/dbraw/zinc/75/30/19/786753019.db2.gz KAJCDEGOQKZRQP-GFCCVEGCSA-N 1 2 336.613 2.049 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)CNc2cccc[nH+]2)cc1 ZINC000911894013 787800703 /nfs/dbraw/zinc/80/07/03/787800703.db2.gz WEFWKEDMYXBBEW-UHFFFAOYSA-N 1 2 328.416 2.097 20 10 EECDLO COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)cc1 ZINC000844602541 789253817 /nfs/dbraw/zinc/25/38/17/789253817.db2.gz LKTMUSITGTZFEG-CVEARBPZSA-N 1 2 342.443 2.486 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000917206446 798134750 /nfs/dbraw/zinc/13/47/50/798134750.db2.gz ZZMVPIBSVYSXBB-UHFFFAOYSA-N 1 2 339.439 2.263 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000917206446 798134753 /nfs/dbraw/zinc/13/47/53/798134753.db2.gz ZZMVPIBSVYSXBB-UHFFFAOYSA-N 1 2 339.439 2.263 20 10 EECDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000922053529 798776656 /nfs/dbraw/zinc/77/66/56/798776656.db2.gz DGHLPPOAYMIMHW-RDJZCZTQSA-N 1 2 348.491 2.224 20 10 EECDLO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000788627389 807612997 /nfs/dbraw/zinc/61/29/97/807612997.db2.gz XAKOYNUKVKFYDY-QIBSRJKCSA-N 1 2 348.212 2.484 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000140203149 463339178 /nfs/dbraw/zinc/33/91/78/463339178.db2.gz YAGDIUVUNHWAPH-SFHVURJKSA-N 1 2 325.412 2.044 20 10 EECDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058483255 463602979 /nfs/dbraw/zinc/60/29/79/463602979.db2.gz TYVFZJOGRAOLGX-AWEZNQCLSA-N 1 2 327.432 2.153 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(O)c1O ZINC000177685827 463766633 /nfs/dbraw/zinc/76/66/33/463766633.db2.gz NEJKEADBCLPXEE-AWEZNQCLSA-N 1 2 341.411 2.320 20 10 EECDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 ZINC000279200499 464061695 /nfs/dbraw/zinc/06/16/95/464061695.db2.gz ARGAUGMQSZJZGZ-BEFAXECRSA-N 1 2 345.487 2.210 20 10 EECDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 ZINC000279200499 464061699 /nfs/dbraw/zinc/06/16/99/464061699.db2.gz ARGAUGMQSZJZGZ-BEFAXECRSA-N 1 2 345.487 2.210 20 10 EECDLO O=S(=O)(Cc1ccccc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179553419 464156714 /nfs/dbraw/zinc/15/67/14/464156714.db2.gz TXFQMRVUUNFXJW-UHFFFAOYSA-N 1 2 346.452 2.040 20 10 EECDLO COCc1noc([C@H](C)[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000181513189 464498547 /nfs/dbraw/zinc/49/85/47/464498547.db2.gz IQHGWYCYBVSKQH-ZDUSSCGKSA-N 1 2 332.404 2.108 20 10 EECDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cc(Cl)cc(Cl)c1O)C2 ZINC000274919151 464759995 /nfs/dbraw/zinc/75/99/95/464759995.db2.gz LQGBRSCSEVVXPY-UHFFFAOYSA-N 1 2 326.183 2.341 20 10 EECDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cc(Cl)cc(Cl)c1O)C2 ZINC000274919151 464760000 /nfs/dbraw/zinc/76/00/00/464760000.db2.gz LQGBRSCSEVVXPY-UHFFFAOYSA-N 1 2 326.183 2.341 20 10 EECDLO CN(C)c1ccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000366740136 465908302 /nfs/dbraw/zinc/90/83/02/465908302.db2.gz PEPGBYYTPQUIFF-CQSZACIVSA-N 1 2 345.422 2.324 20 10 EECDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775022421 577426659 /nfs/dbraw/zinc/42/66/59/577426659.db2.gz ZIWSVHCMLIRKAE-ZDUSSCGKSA-N 1 2 348.355 2.141 20 10 EECDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccccc1O ZINC000770259623 577593116 /nfs/dbraw/zinc/59/31/16/577593116.db2.gz GCTNCQYEBWPONB-UHFFFAOYSA-N 1 2 342.399 2.254 20 10 EECDLO O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2[nH+]ccn21 ZINC000770412138 577595665 /nfs/dbraw/zinc/59/56/65/577595665.db2.gz KLHRDAKLNPQKMY-UHFFFAOYSA-N 1 2 336.395 2.101 20 10 EECDLO CC(C)COC(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000749247996 577973458 /nfs/dbraw/zinc/97/34/58/577973458.db2.gz DOUWEQKDVAZOCS-UHFFFAOYSA-N 1 2 336.388 2.031 20 10 EECDLO C[C@@H]([NH2+]Cc1nncn1C)c1cc(Br)c(F)cc1O ZINC000756403114 578235650 /nfs/dbraw/zinc/23/56/50/578235650.db2.gz WTDOIGPYUTUMCO-SSDOTTSWSA-N 1 2 329.173 2.273 20 10 EECDLO CCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000177253334 681211599 /nfs/dbraw/zinc/21/15/99/681211599.db2.gz NRYXVONZTAQAQJ-CQSZACIVSA-N 1 2 343.420 2.133 20 10 EECDLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894994346 683454956 /nfs/dbraw/zinc/45/49/56/683454956.db2.gz ZYDYIPHZSFKOES-VIFPVBQESA-N 1 2 345.212 2.204 20 10 EECDLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894994346 683454958 /nfs/dbraw/zinc/45/49/58/683454958.db2.gz ZYDYIPHZSFKOES-VIFPVBQESA-N 1 2 345.212 2.204 20 10 EECDLO CCOc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(O)c1 ZINC000877775766 1200089694 /nfs/dbraw/zinc/08/96/94/1200089694.db2.gz PGJDSQUJMBZZQR-OAHLLOKOSA-N 1 2 346.349 2.434 20 10 EECDLO CCOc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(O)c1 ZINC000877775766 1200089703 /nfs/dbraw/zinc/08/97/03/1200089703.db2.gz PGJDSQUJMBZZQR-OAHLLOKOSA-N 1 2 346.349 2.434 20 10 EECDLO OCc1cc[nH+]c(NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000881822071 1201766655 /nfs/dbraw/zinc/76/66/55/1201766655.db2.gz XOTBWKBHPQXTRT-UHFFFAOYSA-N 1 2 327.428 2.395 20 10 EECDLO C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882926816 1201977706 /nfs/dbraw/zinc/97/77/06/1201977706.db2.gz BLZSJPILJHYUMX-UHFFFAOYSA-N 1 2 348.397 2.107 20 10 EECDLO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001274441542 1205037381 /nfs/dbraw/zinc/03/73/81/1205037381.db2.gz DILLXSZOBXEFHB-MRXNPFEDSA-N 1 2 340.782 2.156 20 10 EECDLO CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001274441542 1205037382 /nfs/dbraw/zinc/03/73/82/1205037382.db2.gz DILLXSZOBXEFHB-MRXNPFEDSA-N 1 2 340.782 2.156 20 10 EECDLO CCn1ccnc1CN1CCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001276354257 1213897546 /nfs/dbraw/zinc/89/75/46/1213897546.db2.gz ODBZSFCCPCZGRQ-UHFFFAOYSA-N 1 2 330.407 2.208 20 10 EECDLO Cc1cc(O)c(C[NH+]2CCN(c3ncc(O)cn3)CC2)cc1Cl ZINC001231869930 1303935242 /nfs/dbraw/zinc/93/52/42/1303935242.db2.gz AVFZOUWHDONKCX-UHFFFAOYSA-N 1 2 334.807 2.172 20 10 EECDLO OC[C@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232195466 1304035369 /nfs/dbraw/zinc/03/53/69/1304035369.db2.gz VIWDLKOGMCHEBM-INIZCTEOSA-N 1 2 328.815 2.083 20 10 EECDLO OC[C@]1(F)CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232195466 1304035373 /nfs/dbraw/zinc/03/53/73/1304035373.db2.gz VIWDLKOGMCHEBM-INIZCTEOSA-N 1 2 328.815 2.083 20 10 EECDLO Oc1cc(I)ccc1C[N@H+]1CCCOCC1 ZINC001232974061 1304312689 /nfs/dbraw/zinc/31/26/89/1304312689.db2.gz HOJWHMBETQNMRX-UHFFFAOYSA-N 1 2 333.169 2.219 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c(Cl)c1 ZINC001236806273 1305683650 /nfs/dbraw/zinc/68/36/50/1305683650.db2.gz SRQCPELFKWKOFW-TXEJJXNPSA-N 1 2 340.851 2.348 20 10 EECDLO COc1cc(C[N@H+](C)Cc2nnc3ccccn32)c(O)c(OC)c1 ZINC001237670749 1306037857 /nfs/dbraw/zinc/03/78/57/1306037857.db2.gz WORXIEKWSOQMDW-UHFFFAOYSA-N 1 2 328.372 2.084 20 10 EECDLO COc1cc(C[N@@H+](C)Cc2nnc3ccccn32)c(O)c(OC)c1 ZINC001237670749 1306037867 /nfs/dbraw/zinc/03/78/67/1306037867.db2.gz WORXIEKWSOQMDW-UHFFFAOYSA-N 1 2 328.372 2.084 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Br)c(F)cc1O ZINC000840833072 1315418871 /nfs/dbraw/zinc/41/88/71/1315418871.db2.gz IOCBJFXEXBWDNU-JGVFFNPUSA-N 1 2 331.185 2.081 20 10 EECDLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203658380 1321934444 /nfs/dbraw/zinc/93/44/44/1321934444.db2.gz LDXGEHVJYZJFJU-QGZVFWFLSA-N 1 2 338.835 2.259 20 10 EECDLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203658380 1321934446 /nfs/dbraw/zinc/93/44/46/1321934446.db2.gz LDXGEHVJYZJFJU-QGZVFWFLSA-N 1 2 338.835 2.259 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c1O ZINC001204336275 1322114959 /nfs/dbraw/zinc/11/49/59/1322114959.db2.gz KSXRNTQVQTXNQO-CABZTGNLSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c1O ZINC001204336275 1322114962 /nfs/dbraw/zinc/11/49/62/1322114962.db2.gz KSXRNTQVQTXNQO-CABZTGNLSA-N 1 2 348.212 2.316 20 10 EECDLO CCOc1ccc(N2CC[NH+](CC(=O)NCC3CCC3)CC2)cc1 ZINC001319515108 1332714989 /nfs/dbraw/zinc/71/49/89/1332714989.db2.gz ITYJZDMCPFNFLX-UHFFFAOYSA-N 1 2 331.460 2.124 20 10 EECDLO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(CO)on1 ZINC001332385622 1335815247 /nfs/dbraw/zinc/81/52/47/1335815247.db2.gz LYDXQOOEBRJOKU-LBPRGKRZSA-N 1 2 349.406 2.118 20 10 EECDLO COc1ccc(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c(O)c1 ZINC001333722191 1336114255 /nfs/dbraw/zinc/11/42/55/1336114255.db2.gz OCSHMTUOHFTQFZ-UHFFFAOYSA-N 1 2 344.415 2.154 20 10 EECDLO COc1ccc(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c(O)c1 ZINC001333722191 1336114258 /nfs/dbraw/zinc/11/42/58/1336114258.db2.gz OCSHMTUOHFTQFZ-UHFFFAOYSA-N 1 2 344.415 2.154 20 10 EECDLO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1cccc(-c2nn[nH]n2)c1O ZINC001589957087 1349078432 /nfs/dbraw/zinc/07/84/32/1349078432.db2.gz RIKTZVROIQPUTQ-RCBQFDQVSA-N 1 2 342.447 2.240 20 10 EECDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cn1 ZINC001607111111 1351422468 /nfs/dbraw/zinc/42/24/68/1351422468.db2.gz NQNAKOQQIURQBJ-UHFFFAOYSA-N 1 2 334.742 2.050 20 10 EECDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129865 1372464066 /nfs/dbraw/zinc/46/40/66/1372464066.db2.gz IGBONFWHWBFLJN-SFHVURJKSA-N 1 2 331.368 2.192 20 10 EECDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129865 1372464072 /nfs/dbraw/zinc/46/40/72/1372464072.db2.gz IGBONFWHWBFLJN-SFHVURJKSA-N 1 2 331.368 2.192 20 10 EECDLO COCCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089798241 775798422 /nfs/dbraw/zinc/79/84/22/775798422.db2.gz XNTNIYUEPXYSPP-UHFFFAOYSA-N 1 2 332.448 2.081 20 10 EECDLO OCCO[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894016618 780425812 /nfs/dbraw/zinc/42/58/12/780425812.db2.gz HDJSYWTZNTWDIX-LBPRGKRZSA-N 1 2 348.212 2.267 20 10 EECDLO OCCO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894016618 780425814 /nfs/dbraw/zinc/42/58/14/780425814.db2.gz HDJSYWTZNTWDIX-LBPRGKRZSA-N 1 2 348.212 2.267 20 10 EECDLO O=C(CCc1c[nH]c[nH+]1)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089870563 783276927 /nfs/dbraw/zinc/27/69/27/783276927.db2.gz WOGFAQYRLFPDGW-UHFFFAOYSA-N 1 2 343.406 2.219 20 10 EECDLO O=C(CCc1c[nH+]c[nH]1)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089870563 783276934 /nfs/dbraw/zinc/27/69/34/783276934.db2.gz WOGFAQYRLFPDGW-UHFFFAOYSA-N 1 2 343.406 2.219 20 10 EECDLO CCN(Cc1cc(Br)ccc1O)C(=O)Cc1[nH]cc[nH+]1 ZINC000816940599 784394016 /nfs/dbraw/zinc/39/40/16/784394016.db2.gz HVLWESNIPYMFRV-UHFFFAOYSA-N 1 2 338.205 2.469 20 10 EECDLO CC(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708217289 786770613 /nfs/dbraw/zinc/77/06/13/786770613.db2.gz ZPJFMEQPTQRCKT-UHFFFAOYSA-N 1 2 335.629 2.376 20 10 EECDLO CC(=O)NCC[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708217289 786770619 /nfs/dbraw/zinc/77/06/19/786770619.db2.gz ZPJFMEQPTQRCKT-UHFFFAOYSA-N 1 2 335.629 2.376 20 10 EECDLO Oc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c1 ZINC001144520364 789905398 /nfs/dbraw/zinc/90/53/98/789905398.db2.gz MYLDDSDNJJRYQS-HNNXBMFYSA-N 1 2 328.359 2.109 20 10 EECDLO COc1cc(C(=O)NC2C[NH+]([C@@H](C)c3ccccc3)C2)cc(OC)n1 ZINC001030614065 791287966 /nfs/dbraw/zinc/28/79/66/791287966.db2.gz AUAZGUCKHHCNDI-ZDUSSCGKSA-N 1 2 341.411 2.274 20 10 EECDLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184362815 801982057 /nfs/dbraw/zinc/98/20/57/801982057.db2.gz WFZKKLGDOTVIBY-GFCCVEGCSA-N 1 2 332.400 2.154 20 10 EECDLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184362815 801982064 /nfs/dbraw/zinc/98/20/64/801982064.db2.gz WFZKKLGDOTVIBY-GFCCVEGCSA-N 1 2 332.400 2.154 20 10 EECDLO Cc1ncsc1C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171750626 463918732 /nfs/dbraw/zinc/91/87/32/463918732.db2.gz UACWMQGELHMREH-UHFFFAOYSA-N 1 2 332.473 2.266 20 10 EECDLO Cc1ncsc1C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171750626 463918739 /nfs/dbraw/zinc/91/87/39/463918739.db2.gz UACWMQGELHMREH-UHFFFAOYSA-N 1 2 332.473 2.266 20 10 EECDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000180036692 464228235 /nfs/dbraw/zinc/22/82/35/464228235.db2.gz XDYFEHAEPLPRAT-GFCCVEGCSA-N 1 2 327.222 2.174 20 10 EECDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000180036692 464228250 /nfs/dbraw/zinc/22/82/50/464228250.db2.gz XDYFEHAEPLPRAT-GFCCVEGCSA-N 1 2 327.222 2.174 20 10 EECDLO COc1cc[nH+]cc1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000294436749 464499724 /nfs/dbraw/zinc/49/97/24/464499724.db2.gz ZSDDPZNKOBNAFH-UHFFFAOYSA-N 1 2 340.427 2.472 20 10 EECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000281714022 464557256 /nfs/dbraw/zinc/55/72/56/464557256.db2.gz OTEVNESNHUSPLD-KRWDZBQOSA-N 1 2 330.340 2.060 20 10 EECDLO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1 ZINC000294983471 464670434 /nfs/dbraw/zinc/67/04/34/464670434.db2.gz KBBWWXYOHSJWMX-AWEZNQCLSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1 ZINC000294983471 464670435 /nfs/dbraw/zinc/67/04/35/464670435.db2.gz KBBWWXYOHSJWMX-AWEZNQCLSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299723453 465869732 /nfs/dbraw/zinc/86/97/32/465869732.db2.gz SZAKGGKDXOFQBE-HNNXBMFYSA-N 1 2 326.444 2.457 20 10 EECDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299723453 465869738 /nfs/dbraw/zinc/86/97/38/465869738.db2.gz SZAKGGKDXOFQBE-HNNXBMFYSA-N 1 2 326.444 2.457 20 10 EECDLO O=C1/C(=C\c2cccnc2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000209468889 485529230 /nfs/dbraw/zinc/52/92/30/485529230.db2.gz AHGZEBCBONMGLW-SDNWHVSQSA-N 1 2 349.481 2.005 20 10 EECDLO C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(N(C)C)cc1 ZINC000777638397 577483844 /nfs/dbraw/zinc/48/38/44/577483844.db2.gz VOIXGWIAEXADCC-HIFRSBDPSA-N 1 2 327.432 2.324 20 10 EECDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768537805 577558094 /nfs/dbraw/zinc/55/80/94/577558094.db2.gz XCBMJXKUVUSYDQ-QGZVFWFLSA-N 1 2 336.407 2.190 20 10 EECDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768537805 577558095 /nfs/dbraw/zinc/55/80/95/577558095.db2.gz XCBMJXKUVUSYDQ-QGZVFWFLSA-N 1 2 336.407 2.190 20 10 EECDLO COc1ccc(N2CC[NH+](C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000769697664 577582509 /nfs/dbraw/zinc/58/25/09/577582509.db2.gz TUSNJWYUBWIJLF-UHFFFAOYSA-N 1 2 347.459 2.437 20 10 EECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)c1 ZINC000756382036 577843010 /nfs/dbraw/zinc/84/30/10/577843010.db2.gz QLPIUIZCIUBTEK-BDJLRTHQSA-N 1 2 328.368 2.056 20 10 EECDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463663 1201080809 /nfs/dbraw/zinc/08/08/09/1201080809.db2.gz LNUYXLLXPYNNHF-HNNXBMFYSA-N 1 2 349.475 2.083 20 10 EECDLO CC(C)C[C@H]1NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000023852586 1201433789 /nfs/dbraw/zinc/43/37/89/1201433789.db2.gz WXRQKWWTWPHXSI-MRXNPFEDSA-N 1 2 332.448 2.108 20 10 EECDLO CC(C)C[C@H]1NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000023852586 1201433791 /nfs/dbraw/zinc/43/37/91/1201433791.db2.gz WXRQKWWTWPHXSI-MRXNPFEDSA-N 1 2 332.448 2.108 20 10 EECDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883144956 1202020481 /nfs/dbraw/zinc/02/04/81/1202020481.db2.gz HDFTXUBSXAHENA-WDEREUQCSA-N 1 2 336.613 2.312 20 10 EECDLO Oc1cc(F)c(F)cc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1CCCC1 ZINC001275773809 1205520772 /nfs/dbraw/zinc/52/07/72/1205520772.db2.gz NCKAONHSSDDQTC-AEFFLSMTSA-N 1 2 338.398 2.498 20 10 EECDLO Oc1cc(F)c(F)cc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C1CCCC1 ZINC001275773809 1205520773 /nfs/dbraw/zinc/52/07/73/1205520773.db2.gz NCKAONHSSDDQTC-AEFFLSMTSA-N 1 2 338.398 2.498 20 10 EECDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cc(F)ccc2O)CCC1 ZINC001275906804 1205581815 /nfs/dbraw/zinc/58/18/15/1205581815.db2.gz MFGWZHMGDHBWKE-IYBDPMFKSA-N 1 2 348.418 2.276 20 10 EECDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cc(F)ccc2O)CCC1 ZINC001275906804 1205581817 /nfs/dbraw/zinc/58/18/17/1205581817.db2.gz MFGWZHMGDHBWKE-IYBDPMFKSA-N 1 2 348.418 2.276 20 10 EECDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2c(O)cccc2F)[nH]1 ZINC001276354011 1213898034 /nfs/dbraw/zinc/89/80/34/1213898034.db2.gz CPBGAWWYPFIFPG-OKILXGFUSA-N 1 2 329.375 2.091 20 10 EECDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2c(O)cccc2F)[nH]1 ZINC001276354011 1213898036 /nfs/dbraw/zinc/89/80/36/1213898036.db2.gz CPBGAWWYPFIFPG-OKILXGFUSA-N 1 2 329.375 2.091 20 10 EECDLO C[N@H+](CCC1OCCO1)Cc1cc(Br)cc(F)c1O ZINC001235068197 1305103445 /nfs/dbraw/zinc/10/34/45/1305103445.db2.gz DYVNKWWSBSNUIG-UHFFFAOYSA-N 1 2 334.185 2.489 20 10 EECDLO C[N@@H+](CCC1OCCO1)Cc1cc(Br)cc(F)c1O ZINC001235068197 1305103447 /nfs/dbraw/zinc/10/34/47/1305103447.db2.gz DYVNKWWSBSNUIG-UHFFFAOYSA-N 1 2 334.185 2.489 20 10 EECDLO NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000858224619 1294051611 /nfs/dbraw/zinc/05/16/11/1294051611.db2.gz MRPDDMVPPFBJHV-ZDUSSCGKSA-N 1 2 346.258 2.128 20 10 EECDLO NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000858224619 1294051614 /nfs/dbraw/zinc/05/16/14/1294051614.db2.gz MRPDDMVPPFBJHV-ZDUSSCGKSA-N 1 2 346.258 2.128 20 10 EECDLO COc1cc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(O)cc1O ZINC001231635388 1303873609 /nfs/dbraw/zinc/87/36/09/1303873609.db2.gz XUEYZMGLEKYSDO-UHFFFAOYSA-N 1 2 342.395 2.064 20 10 EECDLO COc1cc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c(O)cc1O ZINC001231637804 1303875131 /nfs/dbraw/zinc/87/51/31/1303875131.db2.gz SPJYOVKIUFDWNR-UHFFFAOYSA-N 1 2 348.424 2.126 20 10 EECDLO CCNC(=O)COC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231913181 1303945096 /nfs/dbraw/zinc/94/50/96/1303945096.db2.gz GZLXDPMAYUVGEM-UHFFFAOYSA-N 1 2 326.824 2.163 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCS1 ZINC001232263954 1304058218 /nfs/dbraw/zinc/05/82/18/1304058218.db2.gz XHEKNMYTGFZMSL-ZDUSSCGKSA-N 1 2 331.821 2.232 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCS1 ZINC001232263954 1304058224 /nfs/dbraw/zinc/05/82/24/1304058224.db2.gz XHEKNMYTGFZMSL-ZDUSSCGKSA-N 1 2 331.821 2.232 20 10 EECDLO Oc1cc(I)ccc1C[NH+]1CC2(C1)CCOC2 ZINC001232973811 1304312668 /nfs/dbraw/zinc/31/26/68/1304312668.db2.gz AWZRRCNMRBZBNM-UHFFFAOYSA-N 1 2 345.180 2.219 20 10 EECDLO COc1cc(O)c(CN2CCn3c[nH+]cc3C2)cc1Br ZINC001233140797 1304373495 /nfs/dbraw/zinc/37/34/95/1304373495.db2.gz UDPJALSZWJJXSV-UHFFFAOYSA-N 1 2 338.205 2.376 20 10 EECDLO CN(C1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1)[C@@H]1CCOC1 ZINC001233454902 1304470379 /nfs/dbraw/zinc/47/03/79/1304470379.db2.gz OCDWLCWLQPBTGP-CYBMUJFWSA-N 1 2 330.350 2.316 20 10 EECDLO CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001233496729 1304484063 /nfs/dbraw/zinc/48/40/63/1304484063.db2.gz HKKZUSYYASNGQR-CRPGXEFLSA-N 1 2 333.384 2.264 20 10 EECDLO CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001233496729 1304484067 /nfs/dbraw/zinc/48/40/67/1304484067.db2.gz HKKZUSYYASNGQR-CRPGXEFLSA-N 1 2 333.384 2.264 20 10 EECDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OC)c(Cl)c3O)C[C@@H]21 ZINC001236807047 1305683100 /nfs/dbraw/zinc/68/31/00/1305683100.db2.gz MEBDFCPYYBIHQA-PJXYFTJBSA-N 1 2 325.792 2.295 20 10 EECDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(OC)c(Cl)c3O)C[C@@H]21 ZINC001236807047 1305683104 /nfs/dbraw/zinc/68/31/04/1305683104.db2.gz MEBDFCPYYBIHQA-PJXYFTJBSA-N 1 2 325.792 2.295 20 10 EECDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236921163 1305728257 /nfs/dbraw/zinc/72/82/57/1305728257.db2.gz AVMIDRZKYSAVDO-INIZCTEOSA-N 1 2 337.851 2.016 20 10 EECDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236921163 1305728250 /nfs/dbraw/zinc/72/82/50/1305728250.db2.gz AVMIDRZKYSAVDO-INIZCTEOSA-N 1 2 337.851 2.016 20 10 EECDLO COc1ccc(C[NH+]2CC(C)C2)c(O)c1I ZINC001248481977 1310910226 /nfs/dbraw/zinc/91/02/26/1310910226.db2.gz MZYCYFJTLSVOMY-UHFFFAOYSA-N 1 2 333.169 2.457 20 10 EECDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139128813 1314708141 /nfs/dbraw/zinc/70/81/41/1314708141.db2.gz ZQIJGNZDTFPPQT-PBWFPOADSA-N 1 2 345.395 2.185 20 10 EECDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139128813 1314708144 /nfs/dbraw/zinc/70/81/44/1314708144.db2.gz ZQIJGNZDTFPPQT-PBWFPOADSA-N 1 2 345.395 2.185 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CCOC2=O)CC1 ZINC001139133581 1314708932 /nfs/dbraw/zinc/70/89/32/1314708932.db2.gz IDQWWBJNFROEME-UHFFFAOYSA-N 1 2 343.379 2.336 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnccc3OC)CC2)c(OC)c1 ZINC001139609544 1314754105 /nfs/dbraw/zinc/75/41/05/1314754105.db2.gz HQJMXNCVWXGVHU-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1ccc(Cl)cc1O ZINC001140466259 1314892490 /nfs/dbraw/zinc/89/24/90/1314892490.db2.gz DBDVZWUEAXXQQU-UHFFFAOYSA-N 1 2 343.807 2.364 20 10 EECDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1ccc(Cl)cc1O ZINC001140466259 1314892496 /nfs/dbraw/zinc/89/24/96/1314892496.db2.gz DBDVZWUEAXXQQU-UHFFFAOYSA-N 1 2 343.807 2.364 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccn3)C2)c(OC)c1 ZINC001141029209 1315020710 /nfs/dbraw/zinc/02/07/10/1315020710.db2.gz MFHNPSQKEXVJIU-SFHVURJKSA-N 1 2 330.384 2.378 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccn3)C2)c(OC)c1 ZINC001141029209 1315020713 /nfs/dbraw/zinc/02/07/13/1315020713.db2.gz MFHNPSQKEXVJIU-SFHVURJKSA-N 1 2 330.384 2.378 20 10 EECDLO CC(C)N1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1=O ZINC001141078002 1315038180 /nfs/dbraw/zinc/03/81/80/1315038180.db2.gz IHCRJIDNNGAKEV-UHFFFAOYSA-N 1 2 327.472 2.438 20 10 EECDLO CC(C)N1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1=O ZINC001141078002 1315038184 /nfs/dbraw/zinc/03/81/84/1315038184.db2.gz IHCRJIDNNGAKEV-UHFFFAOYSA-N 1 2 327.472 2.438 20 10 EECDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958754 1315644430 /nfs/dbraw/zinc/64/44/30/1315644430.db2.gz ITTBSJKDFYIYTR-HNNXBMFYSA-N 1 2 327.432 2.134 20 10 EECDLO COC(=O)Cc1ccc(C[N@@H+]2CCc3nc(Cl)ncc3C2)c(O)c1 ZINC001249201441 1317023240 /nfs/dbraw/zinc/02/32/40/1317023240.db2.gz SLAZUVONXYOQNR-UHFFFAOYSA-N 1 2 347.802 2.109 20 10 EECDLO COC(=O)Cc1ccc(C[N@H+]2CCc3nc(Cl)ncc3C2)c(O)c1 ZINC001249201441 1317023249 /nfs/dbraw/zinc/02/32/49/1317023249.db2.gz SLAZUVONXYOQNR-UHFFFAOYSA-N 1 2 347.802 2.109 20 10 EECDLO Oc1cc(O)c(CCNc2cc(N3CCCCC3)nc[nH+]2)cc1O ZINC001157245072 1318516813 /nfs/dbraw/zinc/51/68/13/1318516813.db2.gz IYVYWHDHXITWOS-UHFFFAOYSA-N 1 2 330.388 2.238 20 10 EECDLO Oc1cc(O)c(CCNc2cc(N3CCCCC3)[nH+]cn2)cc1O ZINC001157245072 1318516825 /nfs/dbraw/zinc/51/68/25/1318516825.db2.gz IYVYWHDHXITWOS-UHFFFAOYSA-N 1 2 330.388 2.238 20 10 EECDLO CCOc1cccc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)n1 ZINC001203880773 1321981470 /nfs/dbraw/zinc/98/14/70/1321981470.db2.gz ZGTSWUWDQCSYKU-UHFFFAOYSA-N 1 2 329.400 2.214 20 10 EECDLO CC[C@@H]([NH2+]Cc1cnn(CC)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001590467631 1349343056 /nfs/dbraw/zinc/34/30/56/1349343056.db2.gz ADOOKMGNTVCFCI-CQSZACIVSA-N 1 2 327.392 2.030 20 10 EECDLO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001605907950 1351251348 /nfs/dbraw/zinc/25/13/48/1351251348.db2.gz RYNRIUVHOUCOLD-BLLLJJGKSA-N 1 2 339.399 2.265 20 10 EECDLO COCCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001089798106 775796185 /nfs/dbraw/zinc/79/61/85/775796185.db2.gz RGLOODSJFZFPFF-UHFFFAOYSA-N 1 2 344.459 2.342 20 10 EECDLO OCCO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894016609 780425837 /nfs/dbraw/zinc/42/58/37/780425837.db2.gz HDJSYWTZNTWDIX-GFCCVEGCSA-N 1 2 348.212 2.267 20 10 EECDLO OCCO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894016609 780425841 /nfs/dbraw/zinc/42/58/41/780425841.db2.gz HDJSYWTZNTWDIX-GFCCVEGCSA-N 1 2 348.212 2.267 20 10 EECDLO COC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708125530 786753141 /nfs/dbraw/zinc/75/31/41/786753141.db2.gz SPSRNCDWYORDIV-GFCCVEGCSA-N 1 2 338.629 2.295 20 10 EECDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000824491522 788189968 /nfs/dbraw/zinc/18/99/68/788189968.db2.gz TXERCGGTTYVZEW-UHFFFAOYSA-N 1 2 349.232 2.267 20 10 EECDLO Oc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001144520466 789905070 /nfs/dbraw/zinc/90/50/70/789905070.db2.gz RTUNIKLNGBDYML-MRXNPFEDSA-N 1 2 342.386 2.499 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H]1CCC[C@H](OC)C1 ZINC000846110318 790053892 /nfs/dbraw/zinc/05/38/92/790053892.db2.gz YAVFFVRXOQLXEH-RVSPLBMKSA-N 1 2 337.416 2.237 20 10 EECDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000922053528 798776599 /nfs/dbraw/zinc/77/65/99/798776599.db2.gz DGHLPPOAYMIMHW-NVXWUHKLSA-N 1 2 348.491 2.224 20 10 EECDLO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cccc(C(F)(F)F)c1O ZINC000788781512 807696842 /nfs/dbraw/zinc/69/68/42/807696842.db2.gz GXLNSVOHIMJGMU-VIFPVBQESA-N 1 2 342.321 2.384 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(OCC)ccc1O)C1CCOCC1 ZINC000789578157 808070228 /nfs/dbraw/zinc/07/02/28/808070228.db2.gz BMPQJVSQTCJQPI-QGZVFWFLSA-N 1 2 337.416 2.239 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c(O)c1O ZINC000179537794 464153741 /nfs/dbraw/zinc/15/37/41/464153741.db2.gz NIMLUXNMLQBIAD-UHFFFAOYSA-N 1 2 342.395 2.070 20 10 EECDLO COCC[N@H+](CC(=O)OC)Cc1cc(Br)cc(C)c1O ZINC000180253857 464274237 /nfs/dbraw/zinc/27/42/37/464274237.db2.gz NHXOGGWJMXXSPA-UHFFFAOYSA-N 1 2 346.221 2.085 20 10 EECDLO COCC[N@@H+](CC(=O)OC)Cc1cc(Br)cc(C)c1O ZINC000180253857 464274241 /nfs/dbraw/zinc/27/42/41/464274241.db2.gz NHXOGGWJMXXSPA-UHFFFAOYSA-N 1 2 346.221 2.085 20 10 EECDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000281107826 464334611 /nfs/dbraw/zinc/33/46/11/464334611.db2.gz AXUPGQCTPWXQHT-JTQLQIEISA-N 1 2 326.349 2.083 20 10 EECDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000281107826 464334615 /nfs/dbraw/zinc/33/46/15/464334615.db2.gz AXUPGQCTPWXQHT-JTQLQIEISA-N 1 2 326.349 2.083 20 10 EECDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000293861712 464422981 /nfs/dbraw/zinc/42/29/81/464422981.db2.gz IIBPROJDSWPGFH-CYBMUJFWSA-N 1 2 346.196 2.488 20 10 EECDLO C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272566359 464661339 /nfs/dbraw/zinc/66/13/39/464661339.db2.gz FLDKLEZLWKUQQA-YGRLFVJLSA-N 1 2 325.796 2.480 20 10 EECDLO C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272566359 464661343 /nfs/dbraw/zinc/66/13/43/464661343.db2.gz FLDKLEZLWKUQQA-YGRLFVJLSA-N 1 2 325.796 2.480 20 10 EECDLO C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272566359 464661347 /nfs/dbraw/zinc/66/13/47/464661347.db2.gz FLDKLEZLWKUQQA-YGRLFVJLSA-N 1 2 325.796 2.480 20 10 EECDLO C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272566359 464661351 /nfs/dbraw/zinc/66/13/51/464661351.db2.gz FLDKLEZLWKUQQA-YGRLFVJLSA-N 1 2 325.796 2.480 20 10 EECDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000273603386 464721476 /nfs/dbraw/zinc/72/14/76/464721476.db2.gz LRWMFGVHCNZYRO-GFCCVEGCSA-N 1 2 347.488 2.222 20 10 EECDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183025148 464779516 /nfs/dbraw/zinc/77/95/16/464779516.db2.gz IAKIRMHVBDXTBK-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183025148 464779522 /nfs/dbraw/zinc/77/95/22/464779522.db2.gz IAKIRMHVBDXTBK-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO CN(Cc1ccccc1O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000362965579 466150491 /nfs/dbraw/zinc/15/04/91/466150491.db2.gz YNPLULNCBDRSSD-UHFFFAOYSA-N 1 2 337.383 2.315 20 10 EECDLO O=C1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)CCN1Cc1ccccc1 ZINC000373990487 534842806 /nfs/dbraw/zinc/84/28/06/534842806.db2.gz AIOVEBGCMLFXPL-MRXNPFEDSA-N 1 2 341.367 2.191 20 10 EECDLO CCOCCNC(=S)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726494775 576269673 /nfs/dbraw/zinc/26/96/73/576269673.db2.gz WNXMZCGPPJCCDV-UHFFFAOYSA-N 1 2 337.489 2.165 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729614698 576668652 /nfs/dbraw/zinc/66/86/52/576668652.db2.gz QLIKVXPMGMSTNU-MRXNPFEDSA-N 1 2 348.491 2.005 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729614698 576668654 /nfs/dbraw/zinc/66/86/54/576668654.db2.gz QLIKVXPMGMSTNU-MRXNPFEDSA-N 1 2 348.491 2.005 20 10 EECDLO COC(=O)CCCc1nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775836628 577446967 /nfs/dbraw/zinc/44/69/67/577446967.db2.gz OOPVAHTVUHDRGL-CYBMUJFWSA-N 1 2 346.431 2.482 20 10 EECDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000768228927 577552466 /nfs/dbraw/zinc/55/24/66/577552466.db2.gz MLSWPXNDMMMWOQ-CQSZACIVSA-N 1 2 325.430 2.271 20 10 EECDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000768228927 577552467 /nfs/dbraw/zinc/55/24/67/577552467.db2.gz MLSWPXNDMMMWOQ-CQSZACIVSA-N 1 2 325.430 2.271 20 10 EECDLO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768297406 577553406 /nfs/dbraw/zinc/55/34/06/577553406.db2.gz YVKVTYAUCCJYBY-UHFFFAOYSA-N 1 2 336.455 2.471 20 10 EECDLO CCOc1ccc(C[N@H+](C)[C@H](COC(C)C)C(=O)OC)c(O)c1 ZINC000770356366 577594531 /nfs/dbraw/zinc/59/45/31/577594531.db2.gz UYRROOSBYWCUFK-OAHLLOKOSA-N 1 2 325.405 2.189 20 10 EECDLO CCOc1ccc(C[N@@H+](C)[C@H](COC(C)C)C(=O)OC)c(O)c1 ZINC000770356366 577594532 /nfs/dbraw/zinc/59/45/32/577594532.db2.gz UYRROOSBYWCUFK-OAHLLOKOSA-N 1 2 325.405 2.189 20 10 EECDLO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)CC2 ZINC000756757929 577849846 /nfs/dbraw/zinc/84/98/46/577849846.db2.gz OVDQTRDUSPPATG-KOLCDFICSA-N 1 2 338.358 2.074 20 10 EECDLO Cc1n[nH]c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891254251 676250597 /nfs/dbraw/zinc/25/05/97/676250597.db2.gz XXCIUNZIFACPQV-INIZCTEOSA-N 1 2 329.448 2.125 20 10 EECDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000156933463 676469141 /nfs/dbraw/zinc/46/91/41/676469141.db2.gz LPBNRXWDCSYSDZ-UHFFFAOYSA-N 1 2 329.462 2.262 20 10 EECDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000156933463 676469142 /nfs/dbraw/zinc/46/91/42/676469142.db2.gz LPBNRXWDCSYSDZ-UHFFFAOYSA-N 1 2 329.462 2.262 20 10 EECDLO CCCC[C@H](CC)C[NH+]1CC2(CN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001269919170 1184717375 /nfs/dbraw/zinc/71/73/75/1184717375.db2.gz JYZORZSNPYHIEE-AWEZNQCLSA-N 1 2 347.459 2.467 20 10 EECDLO CO[C@H](C)C(=[NH2+])NOC=C(O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000842036645 1188240525 /nfs/dbraw/zinc/24/05/25/1188240525.db2.gz OFHBSZUUKSZLQS-GFCCVEGCSA-N 1 2 348.378 2.344 20 10 EECDLO CCCCN1CC2(C[NH+](Cc3cccc(OCC)c3O)C2)OCC1=O ZINC001272625077 1190937883 /nfs/dbraw/zinc/93/78/83/1190937883.db2.gz HBLSWUINLWKVCY-UHFFFAOYSA-N 1 2 348.443 2.004 20 10 EECDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)no1 ZINC000810218190 1199356117 /nfs/dbraw/zinc/35/61/17/1199356117.db2.gz PMVXUORXUHZHOC-AWEZNQCLSA-N 1 2 349.456 2.069 20 10 EECDLO CCCn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000876551407 1199666263 /nfs/dbraw/zinc/66/62/63/1199666263.db2.gz QQXFZVTZHXNNCM-UHFFFAOYSA-N 1 2 329.448 2.157 20 10 EECDLO CCCn1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000876551407 1199666265 /nfs/dbraw/zinc/66/62/65/1199666265.db2.gz QQXFZVTZHXNNCM-UHFFFAOYSA-N 1 2 329.448 2.157 20 10 EECDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879464051 1201080907 /nfs/dbraw/zinc/08/09/07/1201080907.db2.gz ZRSMZQMWKABQAA-GJZGRUSLSA-N 1 2 349.475 2.129 20 10 EECDLO CC(C)=CCN1C(=O)COCC12C[NH+](Cc1cc(F)cc(C)c1O)C2 ZINC001274100288 1204369588 /nfs/dbraw/zinc/36/95/88/1204369588.db2.gz ZPGDKIYNKJGWKU-UHFFFAOYSA-N 1 2 348.418 2.219 20 10 EECDLO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c2ncnn21 ZINC000924759167 1206028100 /nfs/dbraw/zinc/02/81/00/1206028100.db2.gz GAEUMVPINWVCPG-LRDDRELGSA-N 1 2 345.422 2.174 20 10 EECDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001276380326 1249963113 /nfs/dbraw/zinc/96/31/13/1249963113.db2.gz PIJZLGAJPGKMPT-SJORKVTESA-N 1 2 347.846 2.459 20 10 EECDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001276380326 1249963127 /nfs/dbraw/zinc/96/31/27/1249963127.db2.gz PIJZLGAJPGKMPT-SJORKVTESA-N 1 2 347.846 2.459 20 10 EECDLO Cc1nc(N[C@@H](C)CNC(=O)c2ccc(N=NC(N)=O)cc2)cc[nH+]1 ZINC001097905709 1246784033 /nfs/dbraw/zinc/78/40/33/1246784033.db2.gz IAGTZDBFJOKDAA-JTQLQIEISA-N 1 2 341.375 2.178 20 10 EECDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235067144 1305103670 /nfs/dbraw/zinc/10/36/70/1305103670.db2.gz QXNLBKHSBQNTIL-LBPRGKRZSA-N 1 2 345.212 2.346 20 10 EECDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235067144 1305103671 /nfs/dbraw/zinc/10/36/71/1305103671.db2.gz QXNLBKHSBQNTIL-LBPRGKRZSA-N 1 2 345.212 2.346 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000852211539 1292042279 /nfs/dbraw/zinc/04/22/79/1292042279.db2.gz MNKXXSYXHXQTQR-UHFFFAOYSA-N 1 2 334.376 2.468 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000852211539 1292042288 /nfs/dbraw/zinc/04/22/88/1292042288.db2.gz MNKXXSYXHXQTQR-UHFFFAOYSA-N 1 2 334.376 2.468 20 10 EECDLO Oc1cccc(Br)c1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000862333398 1295795952 /nfs/dbraw/zinc/79/59/52/1295795952.db2.gz OCYGACFIUZXFIL-CQSZACIVSA-N 1 2 328.206 2.146 20 10 EECDLO Oc1cccc(Br)c1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000862333398 1295795960 /nfs/dbraw/zinc/79/59/60/1295795960.db2.gz OCYGACFIUZXFIL-CQSZACIVSA-N 1 2 328.206 2.146 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)Cc2cn(C)nc21 ZINC001232257730 1304056085 /nfs/dbraw/zinc/05/60/85/1304056085.db2.gz IPHWZOSROWFATL-LBPRGKRZSA-N 1 2 337.807 2.231 20 10 EECDLO COc1cccc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)n1 ZINC001232262430 1304056882 /nfs/dbraw/zinc/05/68/82/1304056882.db2.gz HHHIAWICYHRSQC-UHFFFAOYSA-N 1 2 349.818 2.477 20 10 EECDLO Oc1ccc(F)c(F)c1CN1CC[NH+](CCc2ccccn2)CC1 ZINC001233334347 1304435295 /nfs/dbraw/zinc/43/52/95/1304435295.db2.gz CIAHYFFDDMLIPK-UHFFFAOYSA-N 1 2 333.382 2.426 20 10 EECDLO Cn1c[nH+]c2c1CCN(Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001236919049 1305727344 /nfs/dbraw/zinc/72/73/44/1305727344.db2.gz KSMZQHIZZATVSZ-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(OCC)cc2O)Cc2nnn(C)c21 ZINC001237042178 1305774601 /nfs/dbraw/zinc/77/46/01/1305774601.db2.gz XRMORKLOIHSKAG-AWEZNQCLSA-N 1 2 346.431 2.055 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OCC)cc2O)Cc2nnn(C)c21 ZINC001237042178 1305774611 /nfs/dbraw/zinc/77/46/11/1305774611.db2.gz XRMORKLOIHSKAG-AWEZNQCLSA-N 1 2 346.431 2.055 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC2(C1)OCCO2 ZINC001139132629 1314708903 /nfs/dbraw/zinc/70/89/03/1314708903.db2.gz YMXXMGATKWJKQY-UHFFFAOYSA-N 1 2 331.368 2.146 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC2(C1)OCCO2 ZINC001139132629 1314708907 /nfs/dbraw/zinc/70/89/07/1314708907.db2.gz YMXXMGATKWJKQY-UHFFFAOYSA-N 1 2 331.368 2.146 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001139133242 1314709037 /nfs/dbraw/zinc/70/90/37/1314709037.db2.gz GHVYNYOMWNAQRC-LJQANCHMSA-N 1 2 343.379 2.479 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001139133242 1314709042 /nfs/dbraw/zinc/70/90/42/1314709042.db2.gz GHVYNYOMWNAQRC-LJQANCHMSA-N 1 2 343.379 2.479 20 10 EECDLO O=C1OC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)C[C@H]12 ZINC001308889748 1331608272 /nfs/dbraw/zinc/60/82/72/1331608272.db2.gz UAYUFBZJCVOZCM-WPRPVWTQSA-N 1 2 346.608 2.413 20 10 EECDLO O=C1OC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)C[C@H]12 ZINC001308889748 1331608274 /nfs/dbraw/zinc/60/82/74/1331608274.db2.gz UAYUFBZJCVOZCM-WPRPVWTQSA-N 1 2 346.608 2.413 20 10 EECDLO NC(=O)c1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)cc1 ZINC001331989243 1335696819 /nfs/dbraw/zinc/69/68/19/1335696819.db2.gz IVEMGUPOGQWHJZ-UHFFFAOYSA-N 1 2 347.365 2.092 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(-c2nn[nH]n2)c1O ZINC001589954665 1349078240 /nfs/dbraw/zinc/07/82/40/1349078240.db2.gz IKJSRLSNYOYMMT-BTQDYEIMSA-N 1 2 329.404 2.181 20 10 EECDLO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589978987 1349090235 /nfs/dbraw/zinc/09/02/35/1349090235.db2.gz UFGIITNUUBUEJF-BXUZGUMPSA-N 1 2 342.403 2.119 20 10 EECDLO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590427321 1349318990 /nfs/dbraw/zinc/31/89/90/1349318990.db2.gz ZPDQQJKXLHXYFE-LBPRGKRZSA-N 1 2 333.436 2.412 20 10 EECDLO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590446355 1349329238 /nfs/dbraw/zinc/32/92/38/1349329238.db2.gz ARZLMMRDSMQCIL-YPMHNXCESA-N 1 2 331.420 2.428 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1cccc(-c2nn[nH]n2)c1O ZINC001603676295 1350740611 /nfs/dbraw/zinc/74/06/11/1350740611.db2.gz CYTVEJIZALYXSW-LERXQTSPSA-N 1 2 331.420 2.163 20 10 EECDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809764842 783369862 /nfs/dbraw/zinc/36/98/62/783369862.db2.gz KWZUZROCFCLOPU-NSHDSACASA-N 1 2 329.366 2.482 20 10 EECDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809764842 783369871 /nfs/dbraw/zinc/36/98/71/783369871.db2.gz KWZUZROCFCLOPU-NSHDSACASA-N 1 2 329.366 2.482 20 10 EECDLO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000824709998 788283756 /nfs/dbraw/zinc/28/37/56/788283756.db2.gz VBGNQOOJJSZPMZ-GXFFZTMASA-N 1 2 330.222 2.296 20 10 EECDLO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(Br)c1O ZINC000922590156 801432375 /nfs/dbraw/zinc/43/23/75/801432375.db2.gz POQBXABNXSTZDQ-ZDUSSCGKSA-N 1 2 343.265 2.355 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000793515623 810378535 /nfs/dbraw/zinc/37/85/35/810378535.db2.gz QFXMCMZDKORMQB-IBGZPJMESA-N 1 2 345.487 2.321 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000793515623 810378539 /nfs/dbraw/zinc/37/85/39/810378539.db2.gz QFXMCMZDKORMQB-IBGZPJMESA-N 1 2 345.487 2.321 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)cc1Br ZINC001237679633 782085957 /nfs/dbraw/zinc/08/59/57/782085957.db2.gz SXWXDRLGNBDYFS-LBPRGKRZSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1Br ZINC001237679633 782085948 /nfs/dbraw/zinc/08/59/48/782085948.db2.gz SXWXDRLGNBDYFS-LBPRGKRZSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)[nH+]1 ZINC000155090267 462846521 /nfs/dbraw/zinc/84/65/21/462846521.db2.gz WPMHAPZAAAYSOW-UHFFFAOYSA-N 1 2 344.390 2.158 20 10 EECDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000157588577 463146785 /nfs/dbraw/zinc/14/67/85/463146785.db2.gz QFZKYKVIJVZOEF-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000157588577 463146793 /nfs/dbraw/zinc/14/67/93/463146793.db2.gz QFZKYKVIJVZOEF-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO COCCOCCOCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276992116 463833151 /nfs/dbraw/zinc/83/31/51/463833151.db2.gz XOWZBXAXVMPPAM-LBPRGKRZSA-N 1 2 333.375 2.391 20 10 EECDLO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O ZINC000186235405 463957614 /nfs/dbraw/zinc/95/76/14/463957614.db2.gz YVOPQMFCJCUNBK-SECBINFHSA-N 1 2 333.215 2.208 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC(C)C ZINC000278246847 463959767 /nfs/dbraw/zinc/95/97/67/463959767.db2.gz OPDDQMGKDCOWHW-UHFFFAOYSA-N 1 2 340.376 2.330 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC(C)C ZINC000278246847 463959770 /nfs/dbraw/zinc/95/97/70/463959770.db2.gz OPDDQMGKDCOWHW-UHFFFAOYSA-N 1 2 340.376 2.330 20 10 EECDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278511958 463968215 /nfs/dbraw/zinc/96/82/15/463968215.db2.gz APQILBAAFMNZKB-OAHLLOKOSA-N 1 2 329.400 2.174 20 10 EECDLO COCCC[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179605947 464162873 /nfs/dbraw/zinc/16/28/73/464162873.db2.gz MXKIQABGSRVDKH-ZDUSSCGKSA-N 1 2 347.864 2.071 20 10 EECDLO COCCC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179605947 464162878 /nfs/dbraw/zinc/16/28/78/464162878.db2.gz MXKIQABGSRVDKH-ZDUSSCGKSA-N 1 2 347.864 2.071 20 10 EECDLO Cn1ncc2c1nc[nH+]c2N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000179948427 464213695 /nfs/dbraw/zinc/21/36/95/464213695.db2.gz QTCATKZRATWGRC-CQSZACIVSA-N 1 2 339.399 2.255 20 10 EECDLO COCC1(O)CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000270335636 464252417 /nfs/dbraw/zinc/25/24/17/464252417.db2.gz CUBAGIIKBSEVDJ-UHFFFAOYSA-N 1 2 327.808 2.222 20 10 EECDLO Cc1nc(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)n[nH]1 ZINC000273444182 464716664 /nfs/dbraw/zinc/71/66/64/464716664.db2.gz NNCIUMSGAJSCTF-QMMMGPOBSA-N 1 2 325.210 2.475 20 10 EECDLO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)[nH]1 ZINC000273444182 464716669 /nfs/dbraw/zinc/71/66/69/464716669.db2.gz NNCIUMSGAJSCTF-QMMMGPOBSA-N 1 2 325.210 2.475 20 10 EECDLO CCC[N@H+](Cc1nnnn1CC(F)(F)F)Cc1ccccc1O ZINC000190919931 464744884 /nfs/dbraw/zinc/74/48/84/464744884.db2.gz FPRUNTFNBCDQRY-UHFFFAOYSA-N 1 2 329.326 2.353 20 10 EECDLO CN(Cc1ccccc1O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368750951 466697025 /nfs/dbraw/zinc/69/70/25/466697025.db2.gz QAYOIVOZXJRTJS-UHFFFAOYSA-N 1 2 328.416 2.309 20 10 EECDLO CC(C)c1nnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000292161486 528273551 /nfs/dbraw/zinc/27/35/51/528273551.db2.gz KOUHEOVHZDDDNK-UHFFFAOYSA-N 1 2 329.448 2.397 20 10 EECDLO CC(C)c1nnc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000292161486 528273553 /nfs/dbraw/zinc/27/35/53/528273553.db2.gz KOUHEOVHZDDDNK-UHFFFAOYSA-N 1 2 329.448 2.397 20 10 EECDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cc(Br)ccc1O ZINC000093054401 528647480 /nfs/dbraw/zinc/64/74/80/528647480.db2.gz CWILYXPOLQMDGO-CYBMUJFWSA-N 1 2 327.222 2.111 20 10 EECDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000093054401 528647485 /nfs/dbraw/zinc/64/74/85/528647485.db2.gz CWILYXPOLQMDGO-CYBMUJFWSA-N 1 2 327.222 2.111 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCc3cocn3)CC2)cc1 ZINC000730829191 577060954 /nfs/dbraw/zinc/06/09/54/577060954.db2.gz DIGFWJUYUWKXBI-UHFFFAOYSA-N 1 2 330.388 2.151 20 10 EECDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768181432 577551696 /nfs/dbraw/zinc/55/16/96/577551696.db2.gz WKMVFMWVWYPFPK-INIZCTEOSA-N 1 2 346.431 2.425 20 10 EECDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768181432 577551697 /nfs/dbraw/zinc/55/16/97/577551697.db2.gz WKMVFMWVWYPFPK-INIZCTEOSA-N 1 2 346.431 2.425 20 10 EECDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000769466051 577578458 /nfs/dbraw/zinc/57/84/58/577578458.db2.gz HBTNNGXXCJUDQI-OAHLLOKOSA-N 1 2 337.416 2.333 20 10 EECDLO CCOc1cccc(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000769466051 577578459 /nfs/dbraw/zinc/57/84/59/577578459.db2.gz HBTNNGXXCJUDQI-OAHLLOKOSA-N 1 2 337.416 2.333 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)[C@@H]3C[C@]34CCOC4)CC2)cc1 ZINC000763442507 577721270 /nfs/dbraw/zinc/72/12/70/577721270.db2.gz STSDHULUEUZJSY-HKUYNNGSSA-N 1 2 330.428 2.207 20 10 EECDLO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000756396816 577843363 /nfs/dbraw/zinc/84/33/63/577843363.db2.gz KTWUKMVNASCFSG-GXTWGEPZSA-N 1 2 332.356 2.391 20 10 EECDLO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)CC2 ZINC000756757935 577849798 /nfs/dbraw/zinc/84/97/98/577849798.db2.gz OVDQTRDUSPPATG-ONGXEEELSA-N 1 2 338.358 2.074 20 10 EECDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@H](C)[S@]1=O ZINC000894407980 682846628 /nfs/dbraw/zinc/84/66/28/682846628.db2.gz PEKKPDFFZNNXEE-WBLQJCTDSA-N 1 2 327.446 2.141 20 10 EECDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)C[C@H](C)[S@]1=O ZINC000894407980 682846632 /nfs/dbraw/zinc/84/66/32/682846632.db2.gz PEKKPDFFZNNXEE-WBLQJCTDSA-N 1 2 327.446 2.141 20 10 EECDLO Oc1c(F)cc(F)cc1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000882986525 1201991542 /nfs/dbraw/zinc/99/15/42/1201991542.db2.gz AWWSUIFSJYUPSE-UHFFFAOYSA-N 1 2 326.387 2.405 20 10 EECDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[S@](=O)C1 ZINC000862347121 1295803317 /nfs/dbraw/zinc/80/33/17/1295803317.db2.gz NILZSVSHDHAPSY-YPMLDQLKSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[S@](=O)C1 ZINC000862347121 1295803328 /nfs/dbraw/zinc/80/33/28/1295803328.db2.gz NILZSVSHDHAPSY-YPMLDQLKSA-N 1 2 332.263 2.355 20 10 EECDLO Oc1cc(O)c(C[NH+]2CCN(Cc3ccccn3)CC2)cc1Cl ZINC001232257379 1304054916 /nfs/dbraw/zinc/05/49/16/1304054916.db2.gz DKHBZZXMXJIZQH-UHFFFAOYSA-N 1 2 333.819 2.464 20 10 EECDLO CCCC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001233496731 1304483772 /nfs/dbraw/zinc/48/37/72/1304483772.db2.gz HKKZUSYYASNGQR-PCJJGOFDSA-N 1 2 333.384 2.264 20 10 EECDLO CCCC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001233496731 1304483776 /nfs/dbraw/zinc/48/37/76/1304483776.db2.gz HKKZUSYYASNGQR-PCJJGOFDSA-N 1 2 333.384 2.264 20 10 EECDLO COC(=O)C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760887 1304581478 /nfs/dbraw/zinc/58/14/78/1304581478.db2.gz MZFFCHUIVIYKIX-NSHDSACASA-N 1 2 349.305 2.055 20 10 EECDLO COC(=O)C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760887 1304581483 /nfs/dbraw/zinc/58/14/83/1304581483.db2.gz MZFFCHUIVIYKIX-NSHDSACASA-N 1 2 349.305 2.055 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)c(Br)c1 ZINC001237072811 1305787569 /nfs/dbraw/zinc/78/75/69/1305787569.db2.gz KGKLUOLPIGDFIE-LBPRGKRZSA-N 1 2 343.221 2.003 20 10 EECDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)ccc(F)c2Cl)O1 ZINC001237122312 1305804668 /nfs/dbraw/zinc/80/46/68/1305804668.db2.gz SNEIACRRZAMGHX-MRVWCRGKSA-N 1 2 342.798 2.005 20 10 EECDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc(F)c2Cl)O1 ZINC001237122312 1305804683 /nfs/dbraw/zinc/80/46/83/1305804683.db2.gz SNEIACRRZAMGHX-MRVWCRGKSA-N 1 2 342.798 2.005 20 10 EECDLO Oc1c(Cl)cc(F)cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC001237814529 1306107387 /nfs/dbraw/zinc/10/73/87/1306107387.db2.gz SHWVNIVJBKRXBR-UHFFFAOYSA-N 1 2 328.815 2.481 20 10 EECDLO CCOC(=O)c1cc2n(n1)CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140063232 1314806870 /nfs/dbraw/zinc/80/68/70/1314806870.db2.gz NLFMGRGVYBAHTL-UHFFFAOYSA-N 1 2 333.363 2.310 20 10 EECDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140664790 1314925210 /nfs/dbraw/zinc/92/52/10/1314925210.db2.gz SATAMANOBOOSJI-KRWDZBQOSA-N 1 2 338.423 2.292 20 10 EECDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140664790 1314925211 /nfs/dbraw/zinc/92/52/11/1314925211.db2.gz SATAMANOBOOSJI-KRWDZBQOSA-N 1 2 338.423 2.292 20 10 EECDLO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cccc(-c2nn[nH]n2)c1O ZINC001589957088 1349078128 /nfs/dbraw/zinc/07/81/28/1349078128.db2.gz RIKTZVROIQPUTQ-VBNZEHGJSA-N 1 2 342.447 2.240 20 10 EECDLO C[C@@H]([NH2+]CCOCC1CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589961490 1349082139 /nfs/dbraw/zinc/08/21/39/1349082139.db2.gz BYCCGRVFQAUIKI-GFCCVEGCSA-N 1 2 331.420 2.430 20 10 EECDLO CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590466613 1349341917 /nfs/dbraw/zinc/34/19/17/1349341917.db2.gz ZLAAYNQUMTYWLN-CQSZACIVSA-N 1 2 349.410 2.379 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001604055568 1350841626 /nfs/dbraw/zinc/84/16/26/1350841626.db2.gz NOSGMVMUVDZEEQ-ZOWXZIJZSA-N 1 2 331.420 2.286 20 10 EECDLO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000834899800 1372574577 /nfs/dbraw/zinc/57/45/77/1372574577.db2.gz KIXAETDXIPKLSB-YUMQZZPRSA-N 1 2 333.201 2.469 20 10 EECDLO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000834899797 1372574777 /nfs/dbraw/zinc/57/47/77/1372574777.db2.gz KIXAETDXIPKLSB-HTQZYQBOSA-N 1 2 333.201 2.469 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCc3cnc(SC)nc3C2)c(OC)c1 ZINC001141030639 1372744889 /nfs/dbraw/zinc/74/48/89/1372744889.db2.gz FCVWUGGFOVMUJP-UHFFFAOYSA-N 1 2 347.440 2.480 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCc3cnc(SC)nc3C2)c(OC)c1 ZINC001141030639 1372744893 /nfs/dbraw/zinc/74/48/93/1372744893.db2.gz FCVWUGGFOVMUJP-UHFFFAOYSA-N 1 2 347.440 2.480 20 10 EECDLO C[C@@H](O)CNc1cc(NCCCSc2nccs2)[nH+]cn1 ZINC000840260079 782463645 /nfs/dbraw/zinc/46/36/45/782463645.db2.gz HQVDSXVPHQLKHU-SNVBAGLBSA-N 1 2 325.463 2.320 20 10 EECDLO C[C@@H](O)CNc1cc(NCCCSc2nccs2)nc[nH+]1 ZINC000840260079 782463652 /nfs/dbraw/zinc/46/36/52/782463652.db2.gz HQVDSXVPHQLKHU-SNVBAGLBSA-N 1 2 325.463 2.320 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Br)cc(F)c1O ZINC000840832366 783024529 /nfs/dbraw/zinc/02/45/29/783024529.db2.gz CDIMLHJNHMZRKK-HTQZYQBOSA-N 1 2 331.185 2.081 20 10 EECDLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000824978545 788385617 /nfs/dbraw/zinc/38/56/17/788385617.db2.gz WUKBBZNAZZCXHJ-HNNXBMFYSA-N 1 2 329.849 2.446 20 10 EECDLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000824978545 788385625 /nfs/dbraw/zinc/38/56/25/788385625.db2.gz WUKBBZNAZZCXHJ-HNNXBMFYSA-N 1 2 329.849 2.446 20 10 EECDLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000824978548 788386085 /nfs/dbraw/zinc/38/60/85/788386085.db2.gz WUKBBZNAZZCXHJ-OAHLLOKOSA-N 1 2 329.849 2.446 20 10 EECDLO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000824978548 788386094 /nfs/dbraw/zinc/38/60/94/788386094.db2.gz WUKBBZNAZZCXHJ-OAHLLOKOSA-N 1 2 329.849 2.446 20 10 EECDLO Oc1cc(Br)ccc1C[NH2+]CCCN1CCC(O)CC1 ZINC000825132245 788451948 /nfs/dbraw/zinc/45/19/48/788451948.db2.gz YSDDUVHZTWLCLL-UHFFFAOYSA-N 1 2 343.265 2.091 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H]1CCC[C@H](OC)C1 ZINC000846109742 790053024 /nfs/dbraw/zinc/05/30/24/790053024.db2.gz VOVZOIYKDFGNAX-DUVNUKRYSA-N 1 2 337.416 2.237 20 10 EECDLO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715712047 795484097 /nfs/dbraw/zinc/48/40/97/795484097.db2.gz ILAYAASGHAHEBD-JTQLQIEISA-N 1 2 347.228 2.104 20 10 EECDLO CC(C)NC(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715815596 795537919 /nfs/dbraw/zinc/53/79/19/795537919.db2.gz XOHKRZXHBDJJQJ-UHFFFAOYSA-N 1 2 333.201 2.298 20 10 EECDLO CC(C)CN1C[C@H]2C[N@H+](Cc3ccc(N(C)C)c(F)c3)CCN2C1=O ZINC000787289806 807068304 /nfs/dbraw/zinc/06/83/04/807068304.db2.gz XZDIBKGZWCEICP-MRXNPFEDSA-N 1 2 348.466 2.470 20 10 EECDLO CC(C)CN1C[C@H]2C[N@@H+](Cc3ccc(N(C)C)c(F)c3)CCN2C1=O ZINC000787289806 807068312 /nfs/dbraw/zinc/06/83/12/807068312.db2.gz XZDIBKGZWCEICP-MRXNPFEDSA-N 1 2 348.466 2.470 20 10 EECDLO CS(=O)(=O)CC[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000093816309 533356908 /nfs/dbraw/zinc/35/69/08/533356908.db2.gz HQWWYTDEJSXWOU-UHFFFAOYSA-N 1 2 348.262 2.164 20 10 EECDLO CS(=O)(=O)CC[N@@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000093816309 533356911 /nfs/dbraw/zinc/35/69/11/533356911.db2.gz HQWWYTDEJSXWOU-UHFFFAOYSA-N 1 2 348.262 2.164 20 10 EECDLO O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2[nH+]ccn2c1 ZINC000068420338 463133211 /nfs/dbraw/zinc/13/32/11/463133211.db2.gz NSERXGXIENJONV-UHFFFAOYSA-N 1 2 336.395 2.101 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000139768732 463332470 /nfs/dbraw/zinc/33/24/70/463332470.db2.gz ILVDXUCZJIWKNY-UHFFFAOYSA-N 1 2 331.460 2.014 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000139768732 463332476 /nfs/dbraw/zinc/33/24/76/463332476.db2.gz ILVDXUCZJIWKNY-UHFFFAOYSA-N 1 2 331.460 2.014 20 10 EECDLO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)no1 ZINC000290872587 464135136 /nfs/dbraw/zinc/13/51/36/464135136.db2.gz KHPNWFKIZOJWDG-SNVBAGLBSA-N 1 2 335.360 2.280 20 10 EECDLO COc1c(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000293906637 464425341 /nfs/dbraw/zinc/42/53/41/464425341.db2.gz FTJGHPUJLNIQSQ-SJORKVTESA-N 1 2 334.372 2.452 20 10 EECDLO COc1c(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000293906637 464425347 /nfs/dbraw/zinc/42/53/47/464425347.db2.gz FTJGHPUJLNIQSQ-SJORKVTESA-N 1 2 334.372 2.452 20 10 EECDLO Cc1nnc(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)[nH]1 ZINC000273396780 464712920 /nfs/dbraw/zinc/71/29/20/464712920.db2.gz FQPNZURDRDDXLS-QMMMGPOBSA-N 1 2 325.210 2.475 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3ccc[nH]c3=O)CC2)cc1 ZINC000726562187 576274078 /nfs/dbraw/zinc/27/40/78/576274078.db2.gz DPBDSKYZYCYZRT-UHFFFAOYSA-N 1 2 327.384 2.195 20 10 EECDLO COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000728979072 576569007 /nfs/dbraw/zinc/56/90/07/576569007.db2.gz XSKGFAFNBKMZFQ-LBPRGKRZSA-N 1 2 338.367 2.473 20 10 EECDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766934917 577527275 /nfs/dbraw/zinc/52/72/75/577527275.db2.gz PTWUHCRHCSXHAN-WBVHZDCISA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766934917 577527276 /nfs/dbraw/zinc/52/72/76/577527276.db2.gz PTWUHCRHCSXHAN-WBVHZDCISA-N 1 2 333.476 2.210 20 10 EECDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769467078 577578588 /nfs/dbraw/zinc/57/85/88/577578588.db2.gz SEUXIEPNIYATRI-XMQCVEROSA-N 1 2 340.464 2.004 20 10 EECDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769467078 577578589 /nfs/dbraw/zinc/57/85/89/577578589.db2.gz SEUXIEPNIYATRI-XMQCVEROSA-N 1 2 340.464 2.004 20 10 EECDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770352912 577594368 /nfs/dbraw/zinc/59/43/68/577594368.db2.gz QCTSHFMGPPBJNR-HOCLYGCPSA-N 1 2 349.431 2.167 20 10 EECDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770352912 577594369 /nfs/dbraw/zinc/59/43/69/577594369.db2.gz QCTSHFMGPPBJNR-HOCLYGCPSA-N 1 2 349.431 2.167 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)N4CCC[C@@]4(C)C3=O)CC2)cc1 ZINC000761223766 577679625 /nfs/dbraw/zinc/67/96/25/577679625.db2.gz RTIGMAIYRFBNCG-IBGZPJMESA-N 1 2 343.427 2.481 20 10 EECDLO C[C@@H](NC(=O)C1=CC(=O)CS1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741296493 578116467 /nfs/dbraw/zinc/11/64/67/578116467.db2.gz MCWQNGDJZOZCSK-CZUORRHYSA-N 1 2 346.452 2.473 20 10 EECDLO C[C@@H](NC(=O)C1=CC(=O)CS1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741296493 578116468 /nfs/dbraw/zinc/11/64/68/578116468.db2.gz MCWQNGDJZOZCSK-CZUORRHYSA-N 1 2 346.452 2.473 20 10 EECDLO COc1ccc(O)c(CNC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000177626072 681421122 /nfs/dbraw/zinc/42/11/22/681421122.db2.gz MHZKVYBYUFLASU-UHFFFAOYSA-N 1 2 326.356 2.048 20 10 EECDLO CCOCc1cc(C[NH2+][C@H](C)c2nnnn2C2CC2)ccc1OC ZINC000191820966 684765407 /nfs/dbraw/zinc/76/54/07/684765407.db2.gz NGWKVMRUDRMRRU-GFCCVEGCSA-N 1 2 331.420 2.404 20 10 EECDLO Cc1c(C[N@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c2ccccc2n1C ZINC001273309427 1198018017 /nfs/dbraw/zinc/01/80/17/1198018017.db2.gz HWDXACLOLVGSBU-QZTJIDSGSA-N 1 2 333.382 2.191 20 10 EECDLO Cc1c(C[N@@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c2ccccc2n1C ZINC001273309427 1198018026 /nfs/dbraw/zinc/01/80/26/1198018026.db2.gz HWDXACLOLVGSBU-QZTJIDSGSA-N 1 2 333.382 2.191 20 10 EECDLO COc1ccc(N2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000244513320 1212237123 /nfs/dbraw/zinc/23/71/23/1212237123.db2.gz ZOCPSENFKWGNLC-UHFFFAOYSA-N 1 2 325.416 2.386 20 10 EECDLO COc1ccc(N2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000244513320 1212237127 /nfs/dbraw/zinc/23/71/27/1212237127.db2.gz ZOCPSENFKWGNLC-UHFFFAOYSA-N 1 2 325.416 2.386 20 10 EECDLO CC1(C)C[N@H+](Cc2c(O)cccc2Br)C[C@H](CO)O1 ZINC000862396386 1295824258 /nfs/dbraw/zinc/82/42/58/1295824258.db2.gz NTXKEIOXMIKEPU-SNVBAGLBSA-N 1 2 330.222 2.126 20 10 EECDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)C[C@H](CO)O1 ZINC000862396386 1295824271 /nfs/dbraw/zinc/82/42/71/1295824271.db2.gz NTXKEIOXMIKEPU-SNVBAGLBSA-N 1 2 330.222 2.126 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001231548260 1303839393 /nfs/dbraw/zinc/83/93/93/1303839393.db2.gz RDJHWJFUTKZEHP-NXEZZACHSA-N 1 2 348.212 2.316 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001231548260 1303839399 /nfs/dbraw/zinc/83/93/99/1303839399.db2.gz RDJHWJFUTKZEHP-NXEZZACHSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(C[NH+]2CCN(CCc3ccccc3)CC2)c(O)cc1O ZINC001231636543 1303873751 /nfs/dbraw/zinc/87/37/51/1303873751.db2.gz XQWYTIHFMSUWSK-UHFFFAOYSA-N 1 2 342.439 2.467 20 10 EECDLO COC[C@@H]1CC[N@@H+]1Cc1ccc(I)cc1O ZINC001232977366 1304313814 /nfs/dbraw/zinc/31/38/14/1304313814.db2.gz BABVLQODUQIVCX-NSHDSACASA-N 1 2 333.169 2.218 20 10 EECDLO COC[C@@H]1CC[N@H+]1Cc1ccc(I)cc1O ZINC001232977366 1304313818 /nfs/dbraw/zinc/31/38/18/1304313818.db2.gz BABVLQODUQIVCX-NSHDSACASA-N 1 2 333.169 2.218 20 10 EECDLO COCC[NH+]1CCN(Cc2c(O)cc(Br)cc2F)CC1 ZINC001233029050 1304333793 /nfs/dbraw/zinc/33/37/93/1304333793.db2.gz YRPWYFQXDRGTSY-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001233483002 1304476282 /nfs/dbraw/zinc/47/62/82/1304476282.db2.gz KOZSYLAEAIHRST-LLVKDONJSA-N 1 2 338.404 2.245 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001233483002 1304476290 /nfs/dbraw/zinc/47/62/90/1304476290.db2.gz KOZSYLAEAIHRST-LLVKDONJSA-N 1 2 338.404 2.245 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760853 1304581053 /nfs/dbraw/zinc/58/10/53/1304581053.db2.gz LVLBGILFDKXPRQ-GFCCVEGCSA-N 1 2 349.305 2.055 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760853 1304581057 /nfs/dbraw/zinc/58/10/57/1304581057.db2.gz LVLBGILFDKXPRQ-GFCCVEGCSA-N 1 2 349.305 2.055 20 10 EECDLO C[N@H+](CCN1CCOCC1)Cc1cc(F)cc(Br)c1O ZINC001235295784 1305180501 /nfs/dbraw/zinc/18/05/01/1305180501.db2.gz FTMGPEOOVNGHOI-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO C[N@@H+](CCN1CCOCC1)Cc1cc(F)cc(Br)c1O ZINC001235295784 1305180505 /nfs/dbraw/zinc/18/05/05/1305180505.db2.gz FTMGPEOOVNGHOI-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO COc1cc(O)c(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c(Cl)c1 ZINC001236809825 1305685835 /nfs/dbraw/zinc/68/58/35/1305685835.db2.gz YONFUZMLPQHUTB-LBPRGKRZSA-N 1 2 337.807 2.018 20 10 EECDLO COc1cc(O)c(C[N@H+]2Cc3ccnn3CC[C@H]2CO)c(Cl)c1 ZINC001236809825 1305685844 /nfs/dbraw/zinc/68/58/44/1305685844.db2.gz YONFUZMLPQHUTB-LBPRGKRZSA-N 1 2 337.807 2.018 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CCC3(C2)OCCO3)cc1Br ZINC001237678018 1306042925 /nfs/dbraw/zinc/04/29/25/1306042925.db2.gz HCUIDZVYWJRTIO-UHFFFAOYSA-N 1 2 328.206 2.412 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001139129383 1314708097 /nfs/dbraw/zinc/70/80/97/1314708097.db2.gz XTKGYBLEDIQVKX-CYBMUJFWSA-N 1 2 344.411 2.107 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001139129383 1314708099 /nfs/dbraw/zinc/70/80/99/1314708099.db2.gz XTKGYBLEDIQVKX-CYBMUJFWSA-N 1 2 344.411 2.107 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001139133241 1314708870 /nfs/dbraw/zinc/70/88/70/1314708870.db2.gz GHVYNYOMWNAQRC-IBGZPJMESA-N 1 2 343.379 2.479 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001139133241 1314708872 /nfs/dbraw/zinc/70/88/72/1314708872.db2.gz GHVYNYOMWNAQRC-IBGZPJMESA-N 1 2 343.379 2.479 20 10 EECDLO C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000841958533 1315644396 /nfs/dbraw/zinc/64/43/96/1315644396.db2.gz GGDWCZYEBSEXOL-PBHICJAKSA-N 1 2 327.432 2.301 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203940561 1321994973 /nfs/dbraw/zinc/99/49/73/1321994973.db2.gz PPTFISZIDKTYAO-KRWDZBQOSA-N 1 2 332.444 2.487 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203940561 1321994978 /nfs/dbraw/zinc/99/49/78/1321994978.db2.gz PPTFISZIDKTYAO-KRWDZBQOSA-N 1 2 332.444 2.487 20 10 EECDLO Oc1c(F)cccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC001276537379 1323997727 /nfs/dbraw/zinc/99/77/27/1323997727.db2.gz FLSVKBCSFFGVPG-IYBDPMFKSA-N 1 2 330.407 2.077 20 10 EECDLO Oc1c(F)cccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccnc1 ZINC001276537379 1323997729 /nfs/dbraw/zinc/99/77/29/1323997729.db2.gz FLSVKBCSFFGVPG-IYBDPMFKSA-N 1 2 330.407 2.077 20 10 EECDLO CCOc1ccc(N2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)cc1 ZINC001319496207 1332711545 /nfs/dbraw/zinc/71/15/45/1332711545.db2.gz IYKPNPMONPPILN-UHFFFAOYSA-N 1 2 345.487 2.466 20 10 EECDLO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001589978983 1349090393 /nfs/dbraw/zinc/09/03/93/1349090393.db2.gz UDGQTATZSWDIAZ-ABAIWWIYSA-N 1 2 331.420 2.020 20 10 EECDLO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CCO1 ZINC001603658199 1350736334 /nfs/dbraw/zinc/73/63/34/1350736334.db2.gz QIYYJNNUXVXTBR-HUBLWGQQSA-N 1 2 331.420 2.427 20 10 EECDLO Cc1nnc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000953116040 1369966620 /nfs/dbraw/zinc/96/66/20/1369966620.db2.gz TTXSEXHPEMUFJH-UHFFFAOYSA-N 1 2 336.436 2.237 20 10 EECDLO COCC1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001591392594 1403907590 /nfs/dbraw/zinc/90/75/90/1403907590.db2.gz PDNYKPNNTGBUHG-HIFPTAJRSA-N 1 2 331.420 2.428 20 10 EECDLO Cc1[nH+]cn(-c2ccc(NCCc3cc(O)c(O)cc3O)nn2)c1C ZINC001168009633 781720786 /nfs/dbraw/zinc/72/07/86/781720786.db2.gz MMWRKVHPLVVLEJ-UHFFFAOYSA-N 1 2 341.371 2.051 20 10 EECDLO COc1cc(O)c(C[NH2+]Cc2ncn(-c3ccccc3)n2)cc1OC ZINC000816664926 784179353 /nfs/dbraw/zinc/17/93/53/784179353.db2.gz KSZOEYROXQOLAF-UHFFFAOYSA-N 1 2 340.383 2.280 20 10 EECDLO COc1ccc(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)c(O)c1 ZINC000794377072 810803140 /nfs/dbraw/zinc/80/31/40/810803140.db2.gz LRSQDYZMLXYLRJ-UHFFFAOYSA-N 1 2 325.368 2.216 20 10 EECDLO COc1cc(N2CC[NH+](Cc3cncs3)CC2)cc(OC)c1OC ZINC000184754509 465024322 /nfs/dbraw/zinc/02/43/22/465024322.db2.gz VLTVUGRBFGLROI-UHFFFAOYSA-N 1 2 349.456 2.491 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000053531717 463171870 /nfs/dbraw/zinc/17/18/70/463171870.db2.gz RMQXYEYXTSGJCH-UHFFFAOYSA-N 1 2 348.491 2.005 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCC[C@H](CO)C3)CC2)cc1 ZINC000071855156 463442380 /nfs/dbraw/zinc/44/23/80/463442380.db2.gz KDASVBWDGNSGQU-HNNXBMFYSA-N 1 2 347.459 2.078 20 10 EECDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000271193963 464287289 /nfs/dbraw/zinc/28/72/89/464287289.db2.gz RXUZKXNVWAXJCY-SFHVURJKSA-N 1 2 341.363 2.393 20 10 EECDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000271193963 464287292 /nfs/dbraw/zinc/28/72/92/464287292.db2.gz RXUZKXNVWAXJCY-SFHVURJKSA-N 1 2 341.363 2.393 20 10 EECDLO Cn1cc(N2CC[N@H+](Cc3c(O)ccc4ccccc43)CC2=O)cn1 ZINC000176175798 464712601 /nfs/dbraw/zinc/71/26/01/464712601.db2.gz AHTXYAVGZSRKII-UHFFFAOYSA-N 1 2 336.395 2.128 20 10 EECDLO Cn1cc(N2CC[N@@H+](Cc3c(O)ccc4ccccc43)CC2=O)cn1 ZINC000176175798 464712604 /nfs/dbraw/zinc/71/26/04/464712604.db2.gz AHTXYAVGZSRKII-UHFFFAOYSA-N 1 2 336.395 2.128 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)cc1F ZINC000374826382 466754126 /nfs/dbraw/zinc/75/41/26/466754126.db2.gz YNLPCLSHJACGGY-CYBMUJFWSA-N 1 2 347.438 2.374 20 10 EECDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000378367493 467280766 /nfs/dbraw/zinc/28/07/66/467280766.db2.gz DEJKPHSDVVMUKX-CYBMUJFWSA-N 1 2 331.372 2.034 20 10 EECDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000378367493 467280770 /nfs/dbraw/zinc/28/07/70/467280770.db2.gz DEJKPHSDVVMUKX-CYBMUJFWSA-N 1 2 331.372 2.034 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000378429448 467299254 /nfs/dbraw/zinc/29/92/54/467299254.db2.gz AMIJYZLMYRNIGT-KRWDZBQOSA-N 1 2 341.459 2.271 20 10 EECDLO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000776871248 577469126 /nfs/dbraw/zinc/46/91/26/577469126.db2.gz ZGXVAPZRMCQKPK-VCTAVGKDSA-N 1 2 331.359 2.142 20 10 EECDLO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000777219001 577475185 /nfs/dbraw/zinc/47/51/85/577475185.db2.gz GSMRSUIOCJJODB-KGLIPLIRSA-N 1 2 333.787 2.095 20 10 EECDLO O=C(c1ccccn1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768535784 577557988 /nfs/dbraw/zinc/55/79/88/577557988.db2.gz CGHRSHYVHUSPFT-UHFFFAOYSA-N 1 2 331.803 2.399 20 10 EECDLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000750838129 577743462 /nfs/dbraw/zinc/74/34/62/577743462.db2.gz MVBYMIBMECYGRO-CALCHBBNSA-N 1 2 340.383 2.078 20 10 EECDLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000750838129 577743463 /nfs/dbraw/zinc/74/34/63/577743463.db2.gz MVBYMIBMECYGRO-CALCHBBNSA-N 1 2 340.383 2.078 20 10 EECDLO COC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756592914 577847313 /nfs/dbraw/zinc/84/73/13/577847313.db2.gz JKHUKIKXCFGWAP-SCZZXKLOSA-N 1 2 336.201 2.342 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(F)cc(F)c1O ZINC000756865241 577851957 /nfs/dbraw/zinc/85/19/57/577851957.db2.gz PEALKNMSMZGJCB-ZYHUDNBSSA-N 1 2 329.343 2.243 20 10 EECDLO OC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CCCOC1 ZINC000883146531 1202021070 /nfs/dbraw/zinc/02/10/70/1202021070.db2.gz PKZPKFMJNAALLC-RNCFNFMXSA-N 1 2 348.212 2.171 20 10 EECDLO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)C1=CC(=O)CS1 ZINC000779235590 1209635597 /nfs/dbraw/zinc/63/55/97/1209635597.db2.gz ZSEKOBNLGQMIEM-HOCLYGCPSA-N 1 2 346.452 2.067 20 10 EECDLO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C1=CC(=O)CS1 ZINC000779235590 1209635600 /nfs/dbraw/zinc/63/56/00/1209635600.db2.gz ZSEKOBNLGQMIEM-HOCLYGCPSA-N 1 2 346.452 2.067 20 10 EECDLO FC(F)(F)CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000194513849 1211211749 /nfs/dbraw/zinc/21/17/49/1211211749.db2.gz GXHGTMRDWQBQPK-UHFFFAOYSA-N 1 2 343.393 2.203 20 10 EECDLO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1O ZINC001276379907 1249539416 /nfs/dbraw/zinc/53/94/16/1249539416.db2.gz AXFFOFAQHAZQRW-GASCZTMLSA-N 1 2 340.851 2.315 20 10 EECDLO COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1O ZINC001276379907 1249539426 /nfs/dbraw/zinc/53/94/26/1249539426.db2.gz AXFFOFAQHAZQRW-GASCZTMLSA-N 1 2 340.851 2.315 20 10 EECDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(O)c(O)c1Cl ZINC001193247049 1282401269 /nfs/dbraw/zinc/40/12/69/1282401269.db2.gz IZLCBWAGIVDWHB-SNVBAGLBSA-N 1 2 333.775 2.155 20 10 EECDLO O=C(Cc1ccccc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000778996655 1291746626 /nfs/dbraw/zinc/74/66/26/1291746626.db2.gz WHTASGOXPGYYAC-UHFFFAOYSA-N 1 2 328.387 2.418 20 10 EECDLO COc1cccc(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c1O ZINC000853259204 1292341650 /nfs/dbraw/zinc/34/16/50/1292341650.db2.gz UOQLHXCYJMCGAB-UHFFFAOYSA-N 1 2 344.415 2.154 20 10 EECDLO COc1cccc(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c1O ZINC000853259204 1292341657 /nfs/dbraw/zinc/34/16/57/1292341657.db2.gz UOQLHXCYJMCGAB-UHFFFAOYSA-N 1 2 344.415 2.154 20 10 EECDLO COc1ccc[nH+]c1NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000858508220 1294138883 /nfs/dbraw/zinc/13/88/83/1294138883.db2.gz UILBEAZDAAHHJL-UHFFFAOYSA-N 1 2 340.427 2.371 20 10 EECDLO COCC[C@H]1COCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862375452 1295814751 /nfs/dbraw/zinc/81/47/51/1295814751.db2.gz PPPFRVFEZGDKHT-NSHDSACASA-N 1 2 330.222 2.392 20 10 EECDLO COCC[C@H]1COCC[N@H+]1Cc1c(O)cccc1Br ZINC000862375452 1295814761 /nfs/dbraw/zinc/81/47/61/1295814761.db2.gz PPPFRVFEZGDKHT-NSHDSACASA-N 1 2 330.222 2.392 20 10 EECDLO COc1cc(O)c(CN2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)cc1OC ZINC001276790813 1297731325 /nfs/dbraw/zinc/73/13/25/1297731325.db2.gz TWUOBDJMWQGZAD-UHFFFAOYSA-N 1 2 343.427 2.055 20 10 EECDLO O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001276914884 1300243694 /nfs/dbraw/zinc/24/36/94/1300243694.db2.gz VQCCSHUYPLHTMR-WYXOVGLDSA-N 1 2 348.418 2.459 20 10 EECDLO O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001276914884 1300243704 /nfs/dbraw/zinc/24/37/04/1300243704.db2.gz VQCCSHUYPLHTMR-WYXOVGLDSA-N 1 2 348.418 2.459 20 10 EECDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cc(C)nn2C)C3)cc1F ZINC001277010675 1300803293 /nfs/dbraw/zinc/80/32/93/1300803293.db2.gz WAZKYAAWEMTWKQ-UHFFFAOYSA-N 1 2 330.407 2.198 20 10 EECDLO C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2c(O)cccc2F)C[C@H](C)O1 ZINC001277483773 1303608670 /nfs/dbraw/zinc/60/86/70/1303608670.db2.gz AWIQTJSNIGEUII-QJNYJZHLSA-N 1 2 348.418 2.132 20 10 EECDLO C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2c(O)cccc2F)C[C@H](C)O1 ZINC001277483773 1303608675 /nfs/dbraw/zinc/60/86/75/1303608675.db2.gz AWIQTJSNIGEUII-QJNYJZHLSA-N 1 2 348.418 2.132 20 10 EECDLO O=C([C@@H]1CCSC12C[NH+](Cc1c(O)cccc1F)C2)N1CC=CC1 ZINC001277491397 1303655717 /nfs/dbraw/zinc/65/57/17/1303655717.db2.gz IIIIXQMJKBYVCR-AWEZNQCLSA-N 1 2 348.443 2.237 20 10 EECDLO COC(=O)c1c(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)c2ccccc2n1C ZINC001232403687 1304109332 /nfs/dbraw/zinc/10/93/32/1304109332.db2.gz AULNPJSBRCYCGX-CYBMUJFWSA-N 1 2 343.427 2.018 20 10 EECDLO COC(=O)c1c(C[N@H+]2CCN(C(C)=O)[C@H](C)C2)c2ccccc2n1C ZINC001232403687 1304109334 /nfs/dbraw/zinc/10/93/34/1304109334.db2.gz AULNPJSBRCYCGX-CYBMUJFWSA-N 1 2 343.427 2.018 20 10 EECDLO Cc1cccc(C(=O)N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c1 ZINC001233484905 1304477156 /nfs/dbraw/zinc/47/71/56/1304477156.db2.gz BTOBOWIDCHJFAF-UHFFFAOYSA-N 1 2 342.395 2.070 20 10 EECDLO COC(=O)CC1C[NH+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236753226 1305658965 /nfs/dbraw/zinc/65/89/65/1305658965.db2.gz KSNAYRWYDBLEOT-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)CCCO1 ZINC001236802324 1305680875 /nfs/dbraw/zinc/68/08/75/1305680875.db2.gz IYLRPGLMMONYRN-ZDUSSCGKSA-N 1 2 334.199 2.463 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CCCO1 ZINC001236802324 1305680882 /nfs/dbraw/zinc/68/08/82/1305680882.db2.gz IYLRPGLMMONYRN-ZDUSSCGKSA-N 1 2 334.199 2.463 20 10 EECDLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236807143 1305682763 /nfs/dbraw/zinc/68/27/63/1305682763.db2.gz CLEPRXRXFIAXBK-ZDUSSCGKSA-N 1 2 346.431 2.066 20 10 EECDLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236807143 1305682768 /nfs/dbraw/zinc/68/27/68/1305682768.db2.gz CLEPRXRXFIAXBK-ZDUSSCGKSA-N 1 2 346.431 2.066 20 10 EECDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139130929 1314709180 /nfs/dbraw/zinc/70/91/80/1314709180.db2.gz KETPCHHXUGJFNF-LBPRGKRZSA-N 1 2 331.368 2.335 20 10 EECDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139130929 1314709183 /nfs/dbraw/zinc/70/91/83/1314709183.db2.gz KETPCHHXUGJFNF-LBPRGKRZSA-N 1 2 331.368 2.335 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)Cc2nnn(C)c21 ZINC001139671716 1314756915 /nfs/dbraw/zinc/75/69/15/1314756915.db2.gz OVQAKZVFZCKINJ-MRXNPFEDSA-N 1 2 343.475 2.325 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)Cc2nnn(C)c21 ZINC001139671716 1314756921 /nfs/dbraw/zinc/75/69/21/1314756921.db2.gz OVQAKZVFZCKINJ-MRXNPFEDSA-N 1 2 343.475 2.325 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252711 1317035775 /nfs/dbraw/zinc/03/57/75/1317035775.db2.gz ROBPMXKUZHBCSQ-INIZCTEOSA-N 1 2 347.411 2.340 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252711 1317035782 /nfs/dbraw/zinc/03/57/82/1317035782.db2.gz ROBPMXKUZHBCSQ-INIZCTEOSA-N 1 2 347.411 2.340 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC)nc21 ZINC001203876690 1321980069 /nfs/dbraw/zinc/98/00/69/1321980069.db2.gz HUOPRAGGYXQCBO-OAHLLOKOSA-N 1 2 331.416 2.450 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC)nc21 ZINC001203876690 1321980071 /nfs/dbraw/zinc/98/00/71/1321980071.db2.gz HUOPRAGGYXQCBO-OAHLLOKOSA-N 1 2 331.416 2.450 20 10 EECDLO Oc1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)c(O)c1 ZINC001204275376 1322101005 /nfs/dbraw/zinc/10/10/05/1322101005.db2.gz PPRHLCLPKRGLQE-UHFFFAOYSA-N 1 2 328.412 2.294 20 10 EECDLO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603648851 1350733279 /nfs/dbraw/zinc/73/32/79/1350733279.db2.gz BOAFHAXLBRYWGT-NHYWBVRUSA-N 1 2 331.420 2.164 20 10 EECDLO COc1cc(N2CC[NH+](Cc3cc(C)n[nH]3)CC2)cc(OC)c1OC ZINC001321083583 1333014879 /nfs/dbraw/zinc/01/48/79/1333014879.db2.gz GQSZBDSMLXEBMU-UHFFFAOYSA-N 1 2 346.431 2.066 20 10 EECDLO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)[C@@H](O)c1ccccc1 ZINC001589950545 1349075195 /nfs/dbraw/zinc/07/51/95/1349075195.db2.gz UDDVBRKYDPMJBW-HWWQOWPSSA-N 1 2 339.399 2.345 20 10 EECDLO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589951890 1349077220 /nfs/dbraw/zinc/07/72/20/1349077220.db2.gz HPXBEFLDFZTFSS-NORZTCDRSA-N 1 2 343.431 2.428 20 10 EECDLO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603655896 1350734883 /nfs/dbraw/zinc/73/48/83/1350734883.db2.gz GBIIKWLHSKTPQG-RYUDHWBXSA-N 1 2 330.436 2.096 20 10 EECDLO CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056932 1350842721 /nfs/dbraw/zinc/84/27/21/1350842721.db2.gz YAHUFBMTENAUHJ-UGFHNGPFSA-N 1 2 329.404 2.181 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(Cc3ccco3)CC2)c(OC)c1 ZINC001141028354 1372743066 /nfs/dbraw/zinc/74/30/66/1372743066.db2.gz LRCVTITUMQBGBN-UHFFFAOYSA-N 1 2 332.400 2.320 20 10 EECDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N(C)C)cc3)[nH+]cn2)C1 ZINC000840238981 782449942 /nfs/dbraw/zinc/44/99/42/782449942.db2.gz LEVJNWBUQWHEPL-HOCLYGCPSA-N 1 2 341.459 2.362 20 10 EECDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N(C)C)cc3)nc[nH+]2)C1 ZINC000840238981 782449947 /nfs/dbraw/zinc/44/99/47/782449947.db2.gz LEVJNWBUQWHEPL-HOCLYGCPSA-N 1 2 341.459 2.362 20 10 EECDLO CCOCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089800908 775825666 /nfs/dbraw/zinc/82/56/66/775825666.db2.gz UTTMMRZQUSNYTJ-UHFFFAOYSA-N 1 2 332.448 2.081 20 10 EECDLO CO[C@@H](C)CC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089817415 776607815 /nfs/dbraw/zinc/60/78/15/776607815.db2.gz MULXIRCKNNAAHN-ZDUSSCGKSA-N 1 2 346.475 2.470 20 10 EECDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCCCNC1=O ZINC000893983429 780377914 /nfs/dbraw/zinc/37/79/14/780377914.db2.gz BXWZQKXSSRVYQR-LBPRGKRZSA-N 1 2 345.212 2.394 20 10 EECDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCCCNC1=O ZINC000893983429 780377925 /nfs/dbraw/zinc/37/79/25/780377925.db2.gz BXWZQKXSSRVYQR-LBPRGKRZSA-N 1 2 345.212 2.394 20 10 EECDLO CCN1C[C@H](C[NH2+]Cc2cccc(Br)c2O)CC1=O ZINC000846092523 790047794 /nfs/dbraw/zinc/04/77/94/790047794.db2.gz FGLNORMOZHKCOL-JTQLQIEISA-N 1 2 327.222 2.113 20 10 EECDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1 ZINC000823772018 798765024 /nfs/dbraw/zinc/76/50/24/798765024.db2.gz ACGUDDCGVIBNAD-AWEZNQCLSA-N 1 2 334.807 2.465 20 10 EECDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1 ZINC000823772018 798765027 /nfs/dbraw/zinc/76/50/27/798765027.db2.gz ACGUDDCGVIBNAD-AWEZNQCLSA-N 1 2 334.807 2.465 20 10 EECDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(Br)ccc1O ZINC000076118586 462811430 /nfs/dbraw/zinc/81/14/30/462811430.db2.gz BYTYJESQHNOVKS-UHFFFAOYSA-N 1 2 336.251 2.021 20 10 EECDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(Br)ccc1O ZINC000076118586 462811429 /nfs/dbraw/zinc/81/14/29/462811429.db2.gz BYTYJESQHNOVKS-UHFFFAOYSA-N 1 2 336.251 2.021 20 10 EECDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000185013652 463735388 /nfs/dbraw/zinc/73/53/88/463735388.db2.gz MGJXZYRPBRZFPT-CYBMUJFWSA-N 1 2 332.473 2.485 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(=O)c(OC)co3)CC2)cc1F ZINC000268487536 463762510 /nfs/dbraw/zinc/76/25/10/463762510.db2.gz QMPMIRYGDPKEEO-UHFFFAOYSA-N 1 2 348.374 2.118 20 10 EECDLO COC(=O)c1coc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000171028949 463764820 /nfs/dbraw/zinc/76/48/20/463764820.db2.gz ZGCRPDQOJMHGHN-UHFFFAOYSA-N 1 2 330.384 2.397 20 10 EECDLO COc1cccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1O ZINC000277423456 463915623 /nfs/dbraw/zinc/91/56/23/463915623.db2.gz LHCMKJGLUHNMBJ-CQSZACIVSA-N 1 2 344.415 2.154 20 10 EECDLO COc1cccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1O ZINC000277423456 463915629 /nfs/dbraw/zinc/91/56/29/463915629.db2.gz LHCMKJGLUHNMBJ-CQSZACIVSA-N 1 2 344.415 2.154 20 10 EECDLO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000289687340 464090650 /nfs/dbraw/zinc/09/06/50/464090650.db2.gz FHHKKLDMNUDIBC-GFCCVEGCSA-N 1 2 344.864 2.092 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000187548791 464140089 /nfs/dbraw/zinc/14/00/89/464140089.db2.gz KVPVIVAYTHBBLT-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000187548791 464140091 /nfs/dbraw/zinc/14/00/91/464140091.db2.gz KVPVIVAYTHBBLT-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000179573073 464159713 /nfs/dbraw/zinc/15/97/13/464159713.db2.gz DNQQENOOHYYRAV-HNNXBMFYSA-N 1 2 338.835 2.177 20 10 EECDLO CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000271706333 464367319 /nfs/dbraw/zinc/36/73/19/464367319.db2.gz NMXQIGRNXBMWJH-UHFFFAOYSA-N 1 2 327.432 2.362 20 10 EECDLO C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400688 464715187 /nfs/dbraw/zinc/71/51/87/464715187.db2.gz MXOSWUNTJNRZMX-MGPQQGTHSA-N 1 2 337.420 2.450 20 10 EECDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000275792113 464789700 /nfs/dbraw/zinc/78/97/00/464789700.db2.gz XHEFUYYBVMIURG-OLZOCXBDSA-N 1 2 333.411 2.203 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)cc1F ZINC000084866381 534015675 /nfs/dbraw/zinc/01/56/75/534015675.db2.gz IXGRIHRSVFWEBK-CQSZACIVSA-N 1 2 337.439 2.117 20 10 EECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccsc3)CC2)cc1 ZINC000038598294 524422889 /nfs/dbraw/zinc/42/28/89/524422889.db2.gz QCLGRKBQNXZQLD-UHFFFAOYSA-N 1 2 345.468 2.309 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCO[C@@H](C)C3)CC2)cc1 ZINC000726714873 576291123 /nfs/dbraw/zinc/29/11/23/576291123.db2.gz AMYOVDWMMVFEBK-AWEZNQCLSA-N 1 2 333.432 2.094 20 10 EECDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000775201167 577432627 /nfs/dbraw/zinc/43/26/27/577432627.db2.gz CHAHHVLSQBIMLA-NEPJUHHUSA-N 1 2 347.814 2.031 20 10 EECDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000775201167 577432628 /nfs/dbraw/zinc/43/26/28/577432628.db2.gz CHAHHVLSQBIMLA-NEPJUHHUSA-N 1 2 347.814 2.031 20 10 EECDLO CCCn1cc(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)nn1 ZINC000766388471 577518416 /nfs/dbraw/zinc/51/84/16/577518416.db2.gz POXGZDNOPQTHFO-UHFFFAOYSA-N 1 2 343.431 2.096 20 10 EECDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c(O)c1 ZINC000768132700 577550875 /nfs/dbraw/zinc/55/08/75/577550875.db2.gz IOZHHAPCXDVVPP-UHFFFAOYSA-N 1 2 341.411 2.144 20 10 EECDLO O=C(CCn1cc[nH+]c1)NCc1ccc(N2CCSCC2)cc1 ZINC000751336366 577750891 /nfs/dbraw/zinc/75/08/91/577750891.db2.gz MAXZEGHMLZUHFC-UHFFFAOYSA-N 1 2 330.457 2.143 20 10 EECDLO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)CC2 ZINC000756757927 577849820 /nfs/dbraw/zinc/84/98/20/577849820.db2.gz OVDQTRDUSPPATG-GXSJLCMTSA-N 1 2 338.358 2.074 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000161032230 676686533 /nfs/dbraw/zinc/68/65/33/676686533.db2.gz HQFSRNPIAMYNHN-LJQANCHMSA-N 1 2 345.487 2.356 20 10 EECDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000898540831 693364261 /nfs/dbraw/zinc/36/42/61/693364261.db2.gz CBSNSXJVADCQAF-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cccc2F)C1=O ZINC001273266462 1197892102 /nfs/dbraw/zinc/89/21/02/1197892102.db2.gz YTWKMIWMVLFGDP-SGTLLEGYSA-N 1 2 334.391 2.076 20 10 EECDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2c(O)cccc2F)C1=O ZINC001273266462 1197892112 /nfs/dbraw/zinc/89/21/12/1197892112.db2.gz YTWKMIWMVLFGDP-SGTLLEGYSA-N 1 2 334.391 2.076 20 10 EECDLO COC(=O)C[N@H+](CCc1cnccn1)Cc1cc(Cl)ccc1O ZINC000878242629 1200347847 /nfs/dbraw/zinc/34/78/47/1200347847.db2.gz OAYMRJUJFBGOGZ-UHFFFAOYSA-N 1 2 335.791 2.053 20 10 EECDLO COC(=O)C[N@@H+](CCc1cnccn1)Cc1cc(Cl)ccc1O ZINC000878242629 1200347853 /nfs/dbraw/zinc/34/78/53/1200347853.db2.gz OAYMRJUJFBGOGZ-UHFFFAOYSA-N 1 2 335.791 2.053 20 10 EECDLO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836636 1205180117 /nfs/dbraw/zinc/18/01/17/1205180117.db2.gz MJXXXUIESQGIIQ-SGTLLEGYSA-N 1 2 334.416 2.169 20 10 EECDLO CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836636 1205180119 /nfs/dbraw/zinc/18/01/19/1205180119.db2.gz MJXXXUIESQGIIQ-SGTLLEGYSA-N 1 2 334.416 2.169 20 10 EECDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cc(F)ccc2O)n(C)n1 ZINC001275914161 1205583646 /nfs/dbraw/zinc/58/36/46/1205583646.db2.gz WQHMLAZXQOKYQU-CALCHBBNSA-N 1 2 330.407 2.032 20 10 EECDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cc(F)ccc2O)n(C)n1 ZINC001275914161 1205583647 /nfs/dbraw/zinc/58/36/47/1205583647.db2.gz WQHMLAZXQOKYQU-CALCHBBNSA-N 1 2 330.407 2.032 20 10 EECDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(F)ccc2O)n(C)n1 ZINC001275914161 1205583649 /nfs/dbraw/zinc/58/36/49/1205583649.db2.gz WQHMLAZXQOKYQU-CALCHBBNSA-N 1 2 330.407 2.032 20 10 EECDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(F)ccc2O)n(C)n1 ZINC001275914161 1205583651 /nfs/dbraw/zinc/58/36/51/1205583651.db2.gz WQHMLAZXQOKYQU-CALCHBBNSA-N 1 2 330.407 2.032 20 10 EECDLO COc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c(O)c1 ZINC000795283632 1212426416 /nfs/dbraw/zinc/42/64/16/1212426416.db2.gz FKQSOINLLSZNOP-CQSZACIVSA-N 1 2 344.415 2.154 20 10 EECDLO COc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c(O)c1 ZINC000795283632 1212426423 /nfs/dbraw/zinc/42/64/23/1212426423.db2.gz FKQSOINLLSZNOP-CQSZACIVSA-N 1 2 344.415 2.154 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC000827852369 1248831327 /nfs/dbraw/zinc/83/13/27/1248831327.db2.gz XCOSPRKRZFESDB-MFKMUULPSA-N 1 2 346.349 2.290 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC000827852369 1248831331 /nfs/dbraw/zinc/83/13/31/1248831331.db2.gz XCOSPRKRZFESDB-MFKMUULPSA-N 1 2 346.349 2.290 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C/Cl)cc1 ZINC001039062767 1230274328 /nfs/dbraw/zinc/27/43/28/1230274328.db2.gz ZOUUWAFLBAPZFZ-FRABWHEFSA-N 1 2 335.795 2.406 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@H+]2C/C=C/Cl)cc1 ZINC001039062767 1230274331 /nfs/dbraw/zinc/27/43/31/1230274331.db2.gz ZOUUWAFLBAPZFZ-FRABWHEFSA-N 1 2 335.795 2.406 20 10 EECDLO Cc1cc[nH+]c(N2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)c1 ZINC001193612838 1282595800 /nfs/dbraw/zinc/59/58/00/1282595800.db2.gz USHSJIPPACHBFH-UHFFFAOYSA-N 1 2 347.802 2.417 20 10 EECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cocc3C)CC2)cc1 ZINC000858839471 1294241209 /nfs/dbraw/zinc/24/12/09/1294241209.db2.gz FUTXMLZDCKXLHF-UHFFFAOYSA-N 1 2 343.427 2.149 20 10 EECDLO COC[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000862336665 1295798097 /nfs/dbraw/zinc/79/80/97/1295798097.db2.gz IWRIRFMDLBGETA-GHMZBOCLSA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000862336665 1295798108 /nfs/dbraw/zinc/79/81/08/1295798108.db2.gz IWRIRFMDLBGETA-GHMZBOCLSA-N 1 2 330.222 2.390 20 10 EECDLO COc1ccnc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC001231969738 1303961437 /nfs/dbraw/zinc/96/14/37/1303961437.db2.gz SDDDMWLOLMATDB-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO COc1ccc2c(c1)CCCN2CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783988579 1304392849 /nfs/dbraw/zinc/39/28/49/1304392849.db2.gz CCDAEBDYLBQQOP-OAHLLOKOSA-N 1 2 340.427 2.155 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c(Cl)c1 ZINC001236806272 1305682882 /nfs/dbraw/zinc/68/28/82/1305682882.db2.gz SRQCPELFKWKOFW-RYUDHWBXSA-N 1 2 340.851 2.348 20 10 EECDLO CC(C)(C)OC(=O)NC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138494920 1314621423 /nfs/dbraw/zinc/62/14/23/1314621423.db2.gz OCYVITWLUKTDJK-UHFFFAOYSA-N 1 2 347.459 2.232 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000840374890 1315358269 /nfs/dbraw/zinc/35/82/69/1315358269.db2.gz CEQGCFIXPCRMCU-AWEZNQCLSA-N 1 2 329.448 2.225 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2nnn(CC)c21 ZINC001203591055 1321918339 /nfs/dbraw/zinc/91/83/39/1321918339.db2.gz APVHXMXWDPTSKU-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2nnn(CC)c21 ZINC001203591055 1321918341 /nfs/dbraw/zinc/91/83/41/1321918341.db2.gz APVHXMXWDPTSKU-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)n3cc[nH+]c3)C2)cc1 ZINC001329152356 1334595728 /nfs/dbraw/zinc/59/57/28/1334595728.db2.gz RFFJQKZILGILCH-CABCVRRESA-N 1 2 328.416 2.095 20 10 EECDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001335737195 1336420097 /nfs/dbraw/zinc/42/00/97/1336420097.db2.gz LYGWTLOFVQASMX-HNNXBMFYSA-N 1 2 327.432 2.167 20 10 EECDLO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589975637 1349088784 /nfs/dbraw/zinc/08/87/84/1349088784.db2.gz DGRUCNZZPCKYAH-VIFPVBQESA-N 1 2 342.428 2.368 20 10 EECDLO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589978990 1349090447 /nfs/dbraw/zinc/09/04/47/1349090447.db2.gz UFGIITNUUBUEJF-SMDDNHRTSA-N 1 2 342.403 2.119 20 10 EECDLO CC[C@H]([NH2+]Cc1c(C)noc1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466003 1349341028 /nfs/dbraw/zinc/34/10/28/1349341028.db2.gz JCADLDFROMPVSX-AWEZNQCLSA-N 1 2 328.376 2.418 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466656 1349341816 /nfs/dbraw/zinc/34/18/16/1349341816.db2.gz LJLDSPZHMKRVJD-OXIQGZBJSA-N 1 2 331.420 2.427 20 10 EECDLO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1O ZINC001603655870 1350734806 /nfs/dbraw/zinc/73/48/06/1350734806.db2.gz CFNFYLDHXFXBOB-WCQYABFASA-N 1 2 337.383 2.227 20 10 EECDLO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(-c2nn[nH]n2)c1O ZINC001603668411 1350738424 /nfs/dbraw/zinc/73/84/24/1350738424.db2.gz VIMUIAKFTDGPOV-NSHDSACASA-N 1 2 337.383 2.453 20 10 EECDLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604612534 1350970387 /nfs/dbraw/zinc/97/03/87/1350970387.db2.gz IZGJQHHELHCEJO-QWRGUYRKSA-N 1 2 327.392 2.201 20 10 EECDLO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000834899799 1372574697 /nfs/dbraw/zinc/57/46/97/1372574697.db2.gz KIXAETDXIPKLSB-SFYZADRCSA-N 1 2 333.201 2.469 20 10 EECDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000894054256 780471215 /nfs/dbraw/zinc/47/12/15/780471215.db2.gz KIXOJYOJFCGBMI-KBPBESRZSA-N 1 2 333.400 2.458 20 10 EECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000894054256 780471218 /nfs/dbraw/zinc/47/12/18/780471218.db2.gz KIXOJYOJFCGBMI-KBPBESRZSA-N 1 2 333.400 2.458 20 10 EECDLO COC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708125531 786753331 /nfs/dbraw/zinc/75/33/31/786753331.db2.gz SPSRNCDWYORDIV-LBPRGKRZSA-N 1 2 338.629 2.295 20 10 EECDLO CCOC(=O)C[N@H+](CCC(=O)N1CCCCC1)Cc1ccccc1O ZINC000823575884 787804323 /nfs/dbraw/zinc/80/43/23/787804323.db2.gz DAYLYMJWNSABOB-UHFFFAOYSA-N 1 2 348.443 2.160 20 10 EECDLO CCOC(=O)C[N@@H+](CCC(=O)N1CCCCC1)Cc1ccccc1O ZINC000823575884 787804336 /nfs/dbraw/zinc/80/43/36/787804336.db2.gz DAYLYMJWNSABOB-UHFFFAOYSA-N 1 2 348.443 2.160 20 10 EECDLO CC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844388998 789057796 /nfs/dbraw/zinc/05/77/96/789057796.db2.gz CDDWQNBJPHKCPD-YJBOKZPZSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844388998 789057804 /nfs/dbraw/zinc/05/78/04/789057804.db2.gz CDDWQNBJPHKCPD-YJBOKZPZSA-N 1 2 333.476 2.210 20 10 EECDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3O)C[C@@H]21 ZINC001144306978 789533119 /nfs/dbraw/zinc/53/31/19/789533119.db2.gz YJDOLRDZAZRCOQ-WOFXILAISA-N 1 2 344.180 2.145 20 10 EECDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Br)c(F)cc3O)C[C@@H]21 ZINC001144306978 789533121 /nfs/dbraw/zinc/53/31/21/789533121.db2.gz YJDOLRDZAZRCOQ-WOFXILAISA-N 1 2 344.180 2.145 20 10 EECDLO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(Br)cc(F)c1O ZINC000788627385 807612657 /nfs/dbraw/zinc/61/26/57/807612657.db2.gz XAKOYNUKVKFYDY-FZNYLWTLSA-N 1 2 348.212 2.484 20 10 EECDLO CN(C)c1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000054402009 463233473 /nfs/dbraw/zinc/23/34/73/463233473.db2.gz PLTXVJJEFGJBOX-UHFFFAOYSA-N 1 2 342.443 2.373 20 10 EECDLO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(F)c(F)c1O ZINC000187878943 464170179 /nfs/dbraw/zinc/17/01/79/464170179.db2.gz QKXHQCBLPUZYMY-QWRGUYRKSA-N 1 2 329.343 2.243 20 10 EECDLO C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000272566353 464661313 /nfs/dbraw/zinc/66/13/13/464661313.db2.gz FLDKLEZLWKUQQA-IINYFYTJSA-N 1 2 325.796 2.480 20 10 EECDLO C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000272566353 464661317 /nfs/dbraw/zinc/66/13/17/464661317.db2.gz FLDKLEZLWKUQQA-IINYFYTJSA-N 1 2 325.796 2.480 20 10 EECDLO C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000272566353 464661320 /nfs/dbraw/zinc/66/13/20/464661320.db2.gz FLDKLEZLWKUQQA-IINYFYTJSA-N 1 2 325.796 2.480 20 10 EECDLO C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000272566353 464661321 /nfs/dbraw/zinc/66/13/21/464661321.db2.gz FLDKLEZLWKUQQA-IINYFYTJSA-N 1 2 325.796 2.480 20 10 EECDLO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000191197715 464795002 /nfs/dbraw/zinc/79/50/02/464795002.db2.gz UYAZBYCQJXKUAX-JTQLQIEISA-N 1 2 348.415 2.135 20 10 EECDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccccc1O ZINC000361069730 465744188 /nfs/dbraw/zinc/74/41/88/465744188.db2.gz TURIAPUXNNXHPM-GOSISDBHSA-N 1 2 336.395 2.021 20 10 EECDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866059 529163915 /nfs/dbraw/zinc/16/39/15/529163915.db2.gz GZOPELWIIPVFHG-UONOGXRCSA-N 1 2 337.439 2.260 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000774876986 577421796 /nfs/dbraw/zinc/42/17/96/577421796.db2.gz UCZHVAZVTAGJGU-CYBMUJFWSA-N 1 2 338.360 2.036 20 10 EECDLO COc1c(O)c(C[N@H+]2CCCC[C@@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000774876986 577421798 /nfs/dbraw/zinc/42/17/98/577421798.db2.gz UCZHVAZVTAGJGU-CYBMUJFWSA-N 1 2 338.360 2.036 20 10 EECDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000768226975 577552365 /nfs/dbraw/zinc/55/23/65/577552365.db2.gz DGWJYRJYLHTPBH-ZDUSSCGKSA-N 1 2 325.430 2.271 20 10 EECDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1cccc(OCC)c1O ZINC000768226975 577552366 /nfs/dbraw/zinc/55/23/66/577552366.db2.gz DGWJYRJYLHTPBH-ZDUSSCGKSA-N 1 2 325.430 2.271 20 10 EECDLO C[C@H]1[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000763415796 577720883 /nfs/dbraw/zinc/72/08/83/577720883.db2.gz NOVOEFJEPBAICH-OAHLLOKOSA-N 1 2 333.476 2.210 20 10 EECDLO C[C@H]1[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000763415796 577720884 /nfs/dbraw/zinc/72/08/84/577720884.db2.gz NOVOEFJEPBAICH-OAHLLOKOSA-N 1 2 333.476 2.210 20 10 EECDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CC[S@@](=O)C1 ZINC000763646716 577723876 /nfs/dbraw/zinc/72/38/76/577723876.db2.gz AJYOJCZDGUHFLZ-MLCYQJTMSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[S@@](=O)C1 ZINC000763646716 577723877 /nfs/dbraw/zinc/72/38/77/577723877.db2.gz AJYOJCZDGUHFLZ-MLCYQJTMSA-N 1 2 332.263 2.355 20 10 EECDLO CCn1ncnc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000876945557 1199826846 /nfs/dbraw/zinc/82/68/46/1199826846.db2.gz FDBRXWGTUMDHDJ-KBPBESRZSA-N 1 2 347.438 2.341 20 10 EECDLO Cc1cc(O)c(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc1Cl ZINC000877776714 1200093455 /nfs/dbraw/zinc/09/34/55/1200093455.db2.gz WFUBHUXOVCRATM-UHFFFAOYSA-N 1 2 336.741 2.464 20 10 EECDLO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000886221475 1202481817 /nfs/dbraw/zinc/48/18/17/1202481817.db2.gz ZVYNMWYNIUVKIO-VXGBXAGGSA-N 1 2 348.212 2.313 20 10 EECDLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)C1=CC(=O)CS1 ZINC000779235588 1209620453 /nfs/dbraw/zinc/62/04/53/1209620453.db2.gz ZSEKOBNLGQMIEM-GOEBONIOSA-N 1 2 346.452 2.067 20 10 EECDLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C1=CC(=O)CS1 ZINC000779235588 1209620455 /nfs/dbraw/zinc/62/04/55/1209620455.db2.gz ZSEKOBNLGQMIEM-GOEBONIOSA-N 1 2 346.452 2.067 20 10 EECDLO C[N@@H+]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228112705 1302108299 /nfs/dbraw/zinc/10/82/99/1302108299.db2.gz AHWKDLNHTXCEDY-ZDUSSCGKSA-N 1 2 329.352 2.117 20 10 EECDLO C[N@H+]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228112705 1302108307 /nfs/dbraw/zinc/10/83/07/1302108307.db2.gz AHWKDLNHTXCEDY-ZDUSSCGKSA-N 1 2 329.352 2.117 20 10 EECDLO Cn1ccnc1NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001277456198 1303215381 /nfs/dbraw/zinc/21/53/81/1303215381.db2.gz CIWXHAAUCMXATL-YVEFUNNKSA-N 1 2 346.818 2.382 20 10 EECDLO Cn1ccnc1NC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277456198 1303215384 /nfs/dbraw/zinc/21/53/84/1303215384.db2.gz CIWXHAAUCMXATL-YVEFUNNKSA-N 1 2 346.818 2.382 20 10 EECDLO COC[C@H]1Cn2nccc2C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261477 1304057505 /nfs/dbraw/zinc/05/75/05/1304057505.db2.gz ILQYRSSEBUFHHH-LLVKDONJSA-N 1 2 337.807 2.226 20 10 EECDLO COC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261477 1304057515 /nfs/dbraw/zinc/05/75/15/1304057515.db2.gz ILQYRSSEBUFHHH-LLVKDONJSA-N 1 2 337.807 2.226 20 10 EECDLO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581568 1314909510 /nfs/dbraw/zinc/90/95/10/1314909510.db2.gz ZEPDWQQJGKVXDG-VXGBXAGGSA-N 1 2 348.349 2.467 20 10 EECDLO O=C(Nc1ccccc1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159233 1315051439 /nfs/dbraw/zinc/05/14/39/1315051439.db2.gz DAGCLSFYRRQPEL-UHFFFAOYSA-N 1 2 327.384 2.448 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)nc1 ZINC001142531496 1315653098 /nfs/dbraw/zinc/65/30/98/1315653098.db2.gz ZIDLSOZIGAPSBP-UHFFFAOYSA-N 1 2 335.354 2.396 20 10 EECDLO COC(=O)CC1C[NH+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204339691 1322115970 /nfs/dbraw/zinc/11/59/70/1322115970.db2.gz PDMQBYQMODDHGC-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO O=C(NCC(F)(F)F)N1CCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001276539780 1324011665 /nfs/dbraw/zinc/01/16/65/1324011665.db2.gz YCICUTNJIZMPPH-UHFFFAOYSA-N 1 2 347.312 2.063 20 10 EECDLO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589963379 1349083776 /nfs/dbraw/zinc/08/37/76/1349083776.db2.gz WRZNNNSXGRDLRS-LLVKDONJSA-N 1 2 347.419 2.345 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3cc(C)n[nH]3)CC2)cc1 ZINC001203081081 1372718003 /nfs/dbraw/zinc/71/80/03/1372718003.db2.gz JZBBSJBDTUEUPH-UHFFFAOYSA-N 1 2 330.432 2.066 20 10 EECDLO CCCC[C@H]1NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000064381505 773450980 /nfs/dbraw/zinc/45/09/80/773450980.db2.gz KDKBUZDWJUGLLG-MRXNPFEDSA-N 1 2 332.448 2.253 20 10 EECDLO CCCC[C@H]1NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000064381505 773450981 /nfs/dbraw/zinc/45/09/81/773450981.db2.gz KDKBUZDWJUGLLG-MRXNPFEDSA-N 1 2 332.448 2.253 20 10 EECDLO Oc1c(Br)cc(Cl)cc1C[NH2+][C@@H]1COCC[C@H]1O ZINC000708055008 786706524 /nfs/dbraw/zinc/70/65/24/786706524.db2.gz AHHWXYNSYIEIQV-GHMZBOCLSA-N 1 2 336.613 2.048 20 10 EECDLO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715804199 795536897 /nfs/dbraw/zinc/53/68/97/795536897.db2.gz NOELRKILNHFCNI-MRVPVSSYSA-N 1 2 333.201 2.297 20 10 EECDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1F ZINC000370499806 238259708 /nfs/dbraw/zinc/25/97/08/238259708.db2.gz ODJHFGMSKKHBDW-OAHLLOKOSA-N 1 2 341.342 2.490 20 10 EECDLO COCCOCCOCCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276992112 463833638 /nfs/dbraw/zinc/83/36/38/463833638.db2.gz XOWZBXAXVMPPAM-GFCCVEGCSA-N 1 2 333.375 2.391 20 10 EECDLO CC(=O)N1CC[N@H+](Cc2cc(Br)ccc2O)[C@@H](C)C1 ZINC000271155168 464283825 /nfs/dbraw/zinc/28/38/25/464283825.db2.gz BCLKPSSPZXZZFK-JTQLQIEISA-N 1 2 327.222 2.207 20 10 EECDLO CC(=O)N1CC[N@@H+](Cc2cc(Br)ccc2O)[C@@H](C)C1 ZINC000271155168 464283832 /nfs/dbraw/zinc/28/38/32/464283832.db2.gz BCLKPSSPZXZZFK-JTQLQIEISA-N 1 2 327.222 2.207 20 10 EECDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000271744503 464371168 /nfs/dbraw/zinc/37/11/68/464371168.db2.gz SBHADKYARANPBO-OCCSQVGLSA-N 1 2 340.851 2.409 20 10 EECDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271744503 464371174 /nfs/dbraw/zinc/37/11/74/464371174.db2.gz SBHADKYARANPBO-OCCSQVGLSA-N 1 2 340.851 2.409 20 10 EECDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000271744505 464372108 /nfs/dbraw/zinc/37/21/08/464372108.db2.gz SBHADKYARANPBO-TZMCWYRMSA-N 1 2 340.851 2.409 20 10 EECDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271744505 464372114 /nfs/dbraw/zinc/37/21/14/464372114.db2.gz SBHADKYARANPBO-TZMCWYRMSA-N 1 2 340.851 2.409 20 10 EECDLO C[C@H](N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)C(F)(F)F ZINC000176062111 464691089 /nfs/dbraw/zinc/69/10/89/464691089.db2.gz VHPWUVHTUCUWEV-JTQLQIEISA-N 1 2 332.322 2.189 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CC(=O)NCC2(C)C)c1O ZINC000282746824 464930709 /nfs/dbraw/zinc/93/07/09/464930709.db2.gz NSFPQJWIFTUCMX-UHFFFAOYSA-N 1 2 327.222 2.174 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CC(=O)NCC2(C)C)c1O ZINC000282746824 464930715 /nfs/dbraw/zinc/93/07/15/464930715.db2.gz NSFPQJWIFTUCMX-UHFFFAOYSA-N 1 2 327.222 2.174 20 10 EECDLO CCOC(=O)N1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184672208 465016944 /nfs/dbraw/zinc/01/69/44/465016944.db2.gz NPMGPAZSKUSNSO-UHFFFAOYSA-N 1 2 328.796 2.328 20 10 EECDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000378357402 467277631 /nfs/dbraw/zinc/27/76/31/467277631.db2.gz ROEAHXXQJSNCHJ-LJQANCHMSA-N 1 2 345.487 2.356 20 10 EECDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000378357402 467277633 /nfs/dbraw/zinc/27/76/33/467277633.db2.gz ROEAHXXQJSNCHJ-LJQANCHMSA-N 1 2 345.487 2.356 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1F ZINC000084866525 534015695 /nfs/dbraw/zinc/01/56/95/534015695.db2.gz OZDZQGBODGLOKI-AWEZNQCLSA-N 1 2 349.450 2.404 20 10 EECDLO C[C@@H]1CN(C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000731844406 577127496 /nfs/dbraw/zinc/12/74/96/577127496.db2.gz GICYSKCETDFTEL-OAHLLOKOSA-N 1 2 344.411 2.235 20 10 EECDLO C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000731844406 577127497 /nfs/dbraw/zinc/12/74/97/577127497.db2.gz GICYSKCETDFTEL-OAHLLOKOSA-N 1 2 344.411 2.235 20 10 EECDLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000731868325 577130965 /nfs/dbraw/zinc/13/09/65/577130965.db2.gz CHCHJJGWKREWJK-UHFFFAOYSA-N 1 2 331.441 2.006 20 10 EECDLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCOCC1 ZINC000773316553 577332700 /nfs/dbraw/zinc/33/27/00/577332700.db2.gz WDESJWKXJXWKER-HRCADAONSA-N 1 2 348.491 2.222 20 10 EECDLO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000756396820 577843383 /nfs/dbraw/zinc/84/33/83/577843383.db2.gz KTWUKMVNASCFSG-OCCSQVGLSA-N 1 2 332.356 2.391 20 10 EECDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc([N+](=O)[O-])ccc1O ZINC000756845921 577851273 /nfs/dbraw/zinc/85/12/73/577851273.db2.gz VFKYOTKZURNRKZ-LLVKDONJSA-N 1 2 332.360 2.297 20 10 EECDLO O=C(NCc1cccc(Cl)c1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000890759773 675595769 /nfs/dbraw/zinc/59/57/69/675595769.db2.gz QYGQSYVCEFZTNM-OAHLLOKOSA-N 1 2 338.835 2.305 20 10 EECDLO O=C(NCc1cccc(Cl)c1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000890759773 675595771 /nfs/dbraw/zinc/59/57/71/675595771.db2.gz QYGQSYVCEFZTNM-OAHLLOKOSA-N 1 2 338.835 2.305 20 10 EECDLO Cc1ccc(C[NH+]2CC3(C2)CN(CC2CCCC2)C(=O)CO3)c(O)c1 ZINC001272765813 1193487612 /nfs/dbraw/zinc/48/76/12/1193487612.db2.gz KYSJCUPUNSWKES-UHFFFAOYSA-N 1 2 344.455 2.304 20 10 EECDLO OC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000883085992 1202009565 /nfs/dbraw/zinc/00/95/65/1202009565.db2.gz IGDOIGDGPYPIET-ZDUSSCGKSA-N 1 2 348.212 2.171 20 10 EECDLO CC(C)CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1=O ZINC000779201336 1209341607 /nfs/dbraw/zinc/34/16/07/1209341607.db2.gz DQQGLLOLOCFYSZ-QGZVFWFLSA-N 1 2 345.487 2.212 20 10 EECDLO CC(C)CN1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1=O ZINC000779201336 1209341610 /nfs/dbraw/zinc/34/16/10/1209341610.db2.gz DQQGLLOLOCFYSZ-QGZVFWFLSA-N 1 2 345.487 2.212 20 10 EECDLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061115 1230272647 /nfs/dbraw/zinc/27/26/47/1230272647.db2.gz PKFZCYIYIPPMLR-GXTWGEPZSA-N 1 2 335.383 2.401 20 10 EECDLO CC[C@H](F)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061115 1230272650 /nfs/dbraw/zinc/27/26/50/1230272650.db2.gz PKFZCYIYIPPMLR-GXTWGEPZSA-N 1 2 335.383 2.401 20 10 EECDLO Oc1cc2c(cc1C[N@@H+]1CCOc3cccc(F)c3C1)[C@H](O)CO2 ZINC000800856550 1234681143 /nfs/dbraw/zinc/68/11/43/1234681143.db2.gz ZPWFPMFXNZSVAF-MRXNPFEDSA-N 1 2 331.343 2.352 20 10 EECDLO Oc1cc2c(cc1C[N@H+]1CCOc3cccc(F)c3C1)[C@H](O)CO2 ZINC000800856550 1234681144 /nfs/dbraw/zinc/68/11/44/1234681144.db2.gz ZPWFPMFXNZSVAF-MRXNPFEDSA-N 1 2 331.343 2.352 20 10 EECDLO CCN(Cc1cc(Br)ccc1O)C(=O)Cc1c[nH+]c[nH]1 ZINC000901056684 1235169856 /nfs/dbraw/zinc/16/98/56/1235169856.db2.gz QUDCUCVRUYUTGU-UHFFFAOYSA-N 1 2 338.205 2.469 20 10 EECDLO Cc1ccc(C)n1-c1ccc(C[NH+]2CC3(C2)CC[C@H](C(N)=O)O3)cc1 ZINC001277207319 1301819393 /nfs/dbraw/zinc/81/93/93/1301819393.db2.gz RUMAYCASMRLHBJ-GOSISDBHSA-N 1 2 339.439 2.313 20 10 EECDLO COc1cc(O)c(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)cc1Cl ZINC001232271539 1304061305 /nfs/dbraw/zinc/06/13/05/1304061305.db2.gz WKBZUJOURDCEFD-CYBMUJFWSA-N 1 2 337.807 2.018 20 10 EECDLO COc1cc(O)c(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)cc1Cl ZINC001232271539 1304061310 /nfs/dbraw/zinc/06/13/10/1304061310.db2.gz WKBZUJOURDCEFD-CYBMUJFWSA-N 1 2 337.807 2.018 20 10 EECDLO COc1cc(O)c(CN2CCC([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC001236798442 1305678864 /nfs/dbraw/zinc/67/88/64/1305678864.db2.gz OHOCSFPDPGLLLA-UHFFFAOYSA-N 1 2 340.851 2.351 20 10 EECDLO CC[N@H+](CCN1CCOCC1)Cc1ccc(OC)c(Cl)c1O ZINC001236808391 1305684884 /nfs/dbraw/zinc/68/48/84/1305684884.db2.gz YGIJXASAXWMRFJ-UHFFFAOYSA-N 1 2 328.840 2.208 20 10 EECDLO CC[N@@H+](CCN1CCOCC1)Cc1ccc(OC)c(Cl)c1O ZINC001236808391 1305684889 /nfs/dbraw/zinc/68/48/89/1305684889.db2.gz YGIJXASAXWMRFJ-UHFFFAOYSA-N 1 2 328.840 2.208 20 10 EECDLO COCCOC1C[NH+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237058907 1305782283 /nfs/dbraw/zinc/78/22/83/1305782283.db2.gz CMLTYNBIOFEUDR-UHFFFAOYSA-N 1 2 335.322 2.181 20 10 EECDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237203293 1305844279 /nfs/dbraw/zinc/84/42/79/1305844279.db2.gz RCQQUHVPKJQVNR-QGZVFWFLSA-N 1 2 340.464 2.245 20 10 EECDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237203293 1305844293 /nfs/dbraw/zinc/84/42/93/1305844293.db2.gz RCQQUHVPKJQVNR-QGZVFWFLSA-N 1 2 340.464 2.245 20 10 EECDLO C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)n1cc[nH+]c1 ZINC001116361142 1305878174 /nfs/dbraw/zinc/87/81/74/1305878174.db2.gz IKGUFQCJXHKSRT-GDBMZVCRSA-N 1 2 329.400 2.358 20 10 EECDLO C[C@H]1COCC[N@H+](Cc2cccc(I)c2O)C1 ZINC001237778285 1306084903 /nfs/dbraw/zinc/08/49/03/1306084903.db2.gz WDGRBTUKQYGUSX-SNVBAGLBSA-N 1 2 347.196 2.465 20 10 EECDLO C[C@H]1COCC[N@@H+](Cc2cccc(I)c2O)C1 ZINC001237778285 1306084913 /nfs/dbraw/zinc/08/49/13/1306084913.db2.gz WDGRBTUKQYGUSX-SNVBAGLBSA-N 1 2 347.196 2.465 20 10 EECDLO CCN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(O)c(O)c(OC)c1)C(C)C ZINC001278236021 1308884116 /nfs/dbraw/zinc/88/41/16/1308884116.db2.gz UXJVBZOKWGJYSK-KUHUBIRLSA-N 1 2 348.443 2.328 20 10 EECDLO CCN(C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(O)c(O)c(OC)c1)C(C)C ZINC001278236021 1308884128 /nfs/dbraw/zinc/88/41/28/1308884128.db2.gz UXJVBZOKWGJYSK-KUHUBIRLSA-N 1 2 348.443 2.328 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001139126269 1314707625 /nfs/dbraw/zinc/70/76/25/1314707625.db2.gz DDIRFQHSDMWQFQ-HNNXBMFYSA-N 1 2 343.301 2.306 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001139126269 1314707626 /nfs/dbraw/zinc/70/76/26/1314707626.db2.gz DDIRFQHSDMWQFQ-HNNXBMFYSA-N 1 2 343.301 2.306 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Br)c(F)cc1O ZINC000840833071 1315418916 /nfs/dbraw/zinc/41/89/16/1315418916.db2.gz IOCBJFXEXBWDNU-HTQZYQBOSA-N 1 2 331.185 2.081 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)cc1 ZINC001143053037 1315848255 /nfs/dbraw/zinc/84/82/55/1315848255.db2.gz GZCXTNZCMVTOSK-UHFFFAOYSA-N 1 2 341.411 2.184 20 10 EECDLO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2)c1O ZINC001203596596 1321919509 /nfs/dbraw/zinc/91/95/09/1321919509.db2.gz KVLFFIFQJRTFAS-UHFFFAOYSA-N 1 2 326.396 2.245 20 10 EECDLO COc1cccc(C[N@H+]2CCN(Cc3ccccc3)C(=O)C2)c1O ZINC001203596596 1321919511 /nfs/dbraw/zinc/91/95/11/1321919511.db2.gz KVLFFIFQJRTFAS-UHFFFAOYSA-N 1 2 326.396 2.245 20 10 EECDLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC001203635695 1321929195 /nfs/dbraw/zinc/92/91/95/1321929195.db2.gz DSJVQMKVPVDWQX-XEGUGMAKSA-N 1 2 342.233 2.126 20 10 EECDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC001203635695 1321929197 /nfs/dbraw/zinc/92/91/97/1321929197.db2.gz DSJVQMKVPVDWQX-XEGUGMAKSA-N 1 2 342.233 2.126 20 10 EECDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001276472448 1322175001 /nfs/dbraw/zinc/17/50/01/1322175001.db2.gz MZJRONBAPPEEHE-RYUDHWBXSA-N 1 2 339.386 2.295 20 10 EECDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001276472448 1322175012 /nfs/dbraw/zinc/17/50/12/1322175012.db2.gz MZJRONBAPPEEHE-RYUDHWBXSA-N 1 2 339.386 2.295 20 10 EECDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(-c2nn[nH]n2)cn1 ZINC001609610901 1352036552 /nfs/dbraw/zinc/03/65/52/1352036552.db2.gz CUMKEPUMGHUTBJ-UHFFFAOYSA-N 1 2 334.742 2.050 20 10 EECDLO Cn1cc[nH+]c1CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001346190784 1337480522 /nfs/dbraw/zinc/48/05/22/1337480522.db2.gz VDIGNSKDTNKIKN-UHFFFAOYSA-N 1 2 344.484 2.222 20 10 EECDLO CC[C@H]([NH2+]CCCC(C)(C)CO)c1cccc(-c2nn[nH]n2)c1O ZINC001604055364 1350841570 /nfs/dbraw/zinc/84/15/70/1350841570.db2.gz MUAPZDIEHKQFQS-AWEZNQCLSA-N 1 2 333.436 2.412 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)Cc2nc(-c3nn[nH]n3)cs2)cc1 ZINC001604810258 1351011770 /nfs/dbraw/zinc/01/17/70/1351011770.db2.gz KZNXEPHMPFVBES-UHFFFAOYSA-N 1 2 329.433 2.021 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)Cc2nc(-c3nn[nH]n3)cs2)cc1 ZINC001604810258 1351011775 /nfs/dbraw/zinc/01/17/75/1351011775.db2.gz KZNXEPHMPFVBES-UHFFFAOYSA-N 1 2 329.433 2.021 20 10 EECDLO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000088658240 1356826602 /nfs/dbraw/zinc/82/66/02/1356826602.db2.gz TWZLMNSZCARTDL-LBPRGKRZSA-N 1 2 333.215 2.036 20 10 EECDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000830704457 1372344086 /nfs/dbraw/zinc/34/40/86/1372344086.db2.gz XRZOVBBDYVNIPW-MRXNPFEDSA-N 1 2 345.487 2.354 20 10 EECDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000830704457 1372344089 /nfs/dbraw/zinc/34/40/89/1372344089.db2.gz XRZOVBBDYVNIPW-MRXNPFEDSA-N 1 2 345.487 2.354 20 10 EECDLO CCOCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001089799790 775820725 /nfs/dbraw/zinc/82/07/25/775820725.db2.gz CHIIFPRCYHIXKX-UHFFFAOYSA-N 1 2 344.459 2.342 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1F ZINC000824914361 788345781 /nfs/dbraw/zinc/34/57/81/788345781.db2.gz QVGRGRRQTDQZCL-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1F ZINC000824914361 788345785 /nfs/dbraw/zinc/34/57/85/788345785.db2.gz QVGRGRRQTDQZCL-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000844854599 789428574 /nfs/dbraw/zinc/42/85/74/789428574.db2.gz ROGIBDWKDHJRLM-UHFFFAOYSA-N 1 2 330.432 2.267 20 10 EECDLO COc1cc(C(=O)NC2C[NH+](CC3=CCCCC3)C2)cc(OC)n1 ZINC001030611940 791277034 /nfs/dbraw/zinc/27/70/34/791277034.db2.gz APCIGVLXMZJMMM-UHFFFAOYSA-N 1 2 331.416 2.013 20 10 EECDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1 ZINC000823772019 798764696 /nfs/dbraw/zinc/76/46/96/798764696.db2.gz ACGUDDCGVIBNAD-CQSZACIVSA-N 1 2 334.807 2.465 20 10 EECDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1 ZINC000823772019 798764702 /nfs/dbraw/zinc/76/47/02/798764702.db2.gz ACGUDDCGVIBNAD-CQSZACIVSA-N 1 2 334.807 2.465 20 10 EECDLO CCN(CC)c1ccc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1F ZINC001350661325 1126183128 /nfs/dbraw/zinc/18/31/28/1126183128.db2.gz DRHOILDMQKPEMM-HNNXBMFYSA-N 1 2 334.395 2.181 20 10 EECDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000091923188 529780243 /nfs/dbraw/zinc/78/02/43/529780243.db2.gz CDRINKJNAZUQPU-UHFFFAOYSA-N 1 2 339.439 2.416 20 10 EECDLO O=C(NCc1ccccc1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000084504896 463608572 /nfs/dbraw/zinc/60/85/72/463608572.db2.gz LIGGDHZARMOTTA-UHFFFAOYSA-N 1 2 338.323 2.416 20 10 EECDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[S@](=O)C1 ZINC000277612909 463923567 /nfs/dbraw/zinc/92/35/67/463923567.db2.gz WNJDOUXCJXJJHJ-MGNBDDOMSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[S@](=O)C1 ZINC000277612909 463923572 /nfs/dbraw/zinc/92/35/72/463923572.db2.gz WNJDOUXCJXJJHJ-MGNBDDOMSA-N 1 2 332.263 2.355 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000186492764 464011541 /nfs/dbraw/zinc/01/15/41/464011541.db2.gz CDBNGOUOEYYDSE-ROUUACIJSA-N 1 2 342.439 2.013 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000186492764 464011548 /nfs/dbraw/zinc/01/15/48/464011548.db2.gz CDBNGOUOEYYDSE-ROUUACIJSA-N 1 2 342.439 2.013 20 10 EECDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H](C)[S@@]1=O ZINC000289254245 464071515 /nfs/dbraw/zinc/07/15/15/464071515.db2.gz FGRQOFGPFFRZNI-KDGBHJTFSA-N 1 2 327.446 2.141 20 10 EECDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@H](C)[S@@]1=O ZINC000289254245 464071517 /nfs/dbraw/zinc/07/15/17/464071517.db2.gz FGRQOFGPFFRZNI-KDGBHJTFSA-N 1 2 327.446 2.141 20 10 EECDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179719341 464178135 /nfs/dbraw/zinc/17/81/35/464178135.db2.gz NFUJUHRKFQJYTD-ZDUSSCGKSA-N 1 2 346.880 2.339 20 10 EECDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179719341 464178139 /nfs/dbraw/zinc/17/81/39/464178139.db2.gz NFUJUHRKFQJYTD-ZDUSSCGKSA-N 1 2 346.880 2.339 20 10 EECDLO COc1ccc(O)c(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000271834217 464392905 /nfs/dbraw/zinc/39/29/05/464392905.db2.gz PEDIECPJXFWRAN-UHFFFAOYSA-N 1 2 335.425 2.436 20 10 EECDLO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000271834217 464392915 /nfs/dbraw/zinc/39/29/15/464392915.db2.gz PEDIECPJXFWRAN-UHFFFAOYSA-N 1 2 335.425 2.436 20 10 EECDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cc(Br)ccc1O ZINC000190033048 464589419 /nfs/dbraw/zinc/58/94/19/464589419.db2.gz REVKSDNXTCWUGP-AWEZNQCLSA-N 1 2 326.190 2.436 20 10 EECDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cc(Br)ccc1O ZINC000190033048 464589427 /nfs/dbraw/zinc/58/94/27/464589427.db2.gz REVKSDNXTCWUGP-AWEZNQCLSA-N 1 2 326.190 2.436 20 10 EECDLO COC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000184719031 465021637 /nfs/dbraw/zinc/02/16/37/465021637.db2.gz HFNBYBLNCVHOAK-QGZVFWFLSA-N 1 2 345.443 2.248 20 10 EECDLO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)n1-c1ccccc1 ZINC000299431594 465745404 /nfs/dbraw/zinc/74/54/04/465745404.db2.gz MZRWJNSLGJEBDY-KRWDZBQOSA-N 1 2 327.428 2.155 20 10 EECDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccccc1 ZINC000299431594 465745409 /nfs/dbraw/zinc/74/54/09/465745409.db2.gz MZRWJNSLGJEBDY-KRWDZBQOSA-N 1 2 327.428 2.155 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000364912584 466719810 /nfs/dbraw/zinc/71/98/10/466719810.db2.gz BZZBWQDQXUFQCS-AWEZNQCLSA-N 1 2 325.412 2.346 20 10 EECDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1=CC(=O)CS1 ZINC000738547426 576573086 /nfs/dbraw/zinc/57/30/86/576573086.db2.gz DVNBOFRUQLHZKG-UHFFFAOYSA-N 1 2 345.468 2.348 20 10 EECDLO COc1ccc(O)c(CNC(=O)NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000734065802 577275747 /nfs/dbraw/zinc/27/57/47/577275747.db2.gz IEKQUQUEHNMUMM-UHFFFAOYSA-N 1 2 340.383 2.356 20 10 EECDLO COc1ccc(O)c(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000734069154 577275907 /nfs/dbraw/zinc/27/59/07/577275907.db2.gz NGUUODWDEUNTGI-UHFFFAOYSA-N 1 2 345.399 2.421 20 10 EECDLO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000776871246 577469100 /nfs/dbraw/zinc/46/91/00/577469100.db2.gz ZGXVAPZRMCQKPK-COLVAYQJSA-N 1 2 331.359 2.142 20 10 EECDLO COc1cccc(O)c1C[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000765685376 577505139 /nfs/dbraw/zinc/50/51/39/577505139.db2.gz VEVZNURIPFXYMR-UHFFFAOYSA-N 1 2 330.359 2.389 20 10 EECDLO COc1cccc(O)c1C[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000765685376 577505140 /nfs/dbraw/zinc/50/51/40/577505140.db2.gz VEVZNURIPFXYMR-UHFFFAOYSA-N 1 2 330.359 2.389 20 10 EECDLO CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756356155 577842622 /nfs/dbraw/zinc/84/26/22/577842622.db2.gz ZYTVQDDIUUCROA-ZFWWWQNUSA-N 1 2 337.420 2.308 20 10 EECDLO CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756356155 577842623 /nfs/dbraw/zinc/84/26/23/577842623.db2.gz ZYTVQDDIUUCROA-ZFWWWQNUSA-N 1 2 337.420 2.308 20 10 EECDLO CC(=O)NCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756372833 577842866 /nfs/dbraw/zinc/84/28/66/577842866.db2.gz UWMHQWOFGHBUOE-MRVPVSSYSA-N 1 2 333.201 2.471 20 10 EECDLO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756578590 577847194 /nfs/dbraw/zinc/84/71/94/577847194.db2.gz WZAMKWDIDLJJBQ-AMIZOPFISA-N 1 2 336.201 2.342 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N[C@@H](CCO)C3CC3)CC2)cc1 ZINC000741414041 578119198 /nfs/dbraw/zinc/11/91/98/578119198.db2.gz SQVVQMYIYIGQIM-SFHVURJKSA-N 1 2 347.459 2.124 20 10 EECDLO O=C1COCC2(C[NH+](Cc3cccc(F)c3O)C2)N1CC1CCCC1 ZINC001273304968 1198005905 /nfs/dbraw/zinc/00/59/05/1198005905.db2.gz WAZSKBFDOMHVFT-UHFFFAOYSA-N 1 2 348.418 2.135 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Br)cc(F)c1O ZINC000872141406 1198051852 /nfs/dbraw/zinc/05/18/52/1198051852.db2.gz VTQZZNDZOIIVAC-NZXMKCKXSA-N 1 2 334.185 2.094 20 10 EECDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876779980 1199770935 /nfs/dbraw/zinc/77/09/35/1199770935.db2.gz PWNCSMQIXXCVAL-HNNXBMFYSA-N 1 2 334.460 2.420 20 10 EECDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876779980 1199770939 /nfs/dbraw/zinc/77/09/39/1199770939.db2.gz PWNCSMQIXXCVAL-HNNXBMFYSA-N 1 2 334.460 2.420 20 10 EECDLO Oc1c(Br)cccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827119333 1250140443 /nfs/dbraw/zinc/14/04/43/1250140443.db2.gz KPZRMZWQUXPMCM-ZDUSSCGKSA-N 1 2 341.249 2.061 20 10 EECDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000691675963 1303786564 /nfs/dbraw/zinc/78/65/64/1303786564.db2.gz JZSTXVVKCIWZTL-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000691675963 1303786567 /nfs/dbraw/zinc/78/65/67/1303786567.db2.gz JZSTXVVKCIWZTL-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO Oc1cc(O)c(CN2CCC([NH+]3CCOCC3)CC2)cc1Cl ZINC001232259864 1304056984 /nfs/dbraw/zinc/05/69/84/1304056984.db2.gz LYRISWBKAIIZMH-UHFFFAOYSA-N 1 2 326.824 2.048 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3ncc(C)cn3)CC2)cc1Cl ZINC001232271223 1304060576 /nfs/dbraw/zinc/06/05/76/1304060576.db2.gz RLHPKNFRLJQKMZ-UHFFFAOYSA-N 1 2 348.834 2.475 20 10 EECDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233018107 1304330381 /nfs/dbraw/zinc/33/03/81/1304330381.db2.gz OZXKXSDOBHZLTI-PWSUYJOCSA-N 1 2 338.404 2.291 20 10 EECDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233018107 1304330389 /nfs/dbraw/zinc/33/03/89/1304330389.db2.gz OZXKXSDOBHZLTI-PWSUYJOCSA-N 1 2 338.404 2.291 20 10 EECDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236790717 1305676865 /nfs/dbraw/zinc/67/68/65/1305676865.db2.gz ZVWKTGDTHORKDJ-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236790717 1305676874 /nfs/dbraw/zinc/67/68/74/1305676874.db2.gz ZVWKTGDTHORKDJ-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)c(O)c(OC)c1 ZINC001237679715 1306041688 /nfs/dbraw/zinc/04/16/88/1306041688.db2.gz YMYSJYDEAXWGCN-QGZVFWFLSA-N 1 2 330.384 2.378 20 10 EECDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)c(O)c(OC)c1 ZINC001237679715 1306041702 /nfs/dbraw/zinc/04/17/02/1306041702.db2.gz YMYSJYDEAXWGCN-QGZVFWFLSA-N 1 2 330.384 2.378 20 10 EECDLO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139126439 1314707598 /nfs/dbraw/zinc/70/75/98/1314707598.db2.gz HIBFNGPUWDMRNI-LBPRGKRZSA-N 1 2 331.368 2.192 20 10 EECDLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139126439 1314707602 /nfs/dbraw/zinc/70/76/02/1314707602.db2.gz HIBFNGPUWDMRNI-LBPRGKRZSA-N 1 2 331.368 2.192 20 10 EECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001140580392 1314909328 /nfs/dbraw/zinc/90/93/28/1314909328.db2.gz ALCJFKSANCADPF-QGZVFWFLSA-N 1 2 332.354 2.315 20 10 EECDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001140580392 1314909329 /nfs/dbraw/zinc/90/93/29/1314909329.db2.gz ALCJFKSANCADPF-QGZVFWFLSA-N 1 2 332.354 2.315 20 10 EECDLO Nc1[nH]c2cc(C(=O)N3CCCc4cc(O)c(O)cc4C3)ccc2[nH+]1 ZINC001156970397 1318318869 /nfs/dbraw/zinc/31/88/69/1318318869.db2.gz QYZMSAKKSDVTJX-UHFFFAOYSA-N 1 2 338.367 2.145 20 10 EECDLO O=c1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)nc2ccccn12 ZINC001308454117 1331592547 /nfs/dbraw/zinc/59/25/47/1331592547.db2.gz WMZCMLSDGHHOEY-UHFFFAOYSA-N 1 2 333.750 2.482 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cccc(-c2nn[nH]n2)c1O ZINC001589957085 1349078109 /nfs/dbraw/zinc/07/81/09/1349078109.db2.gz RIKTZVROIQPUTQ-APHBMKBZSA-N 1 2 342.447 2.240 20 10 EECDLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc(-c2nn[nH]n2)c1O ZINC001589954549 1349078541 /nfs/dbraw/zinc/07/85/41/1349078541.db2.gz HGETUVWIIYVSMY-RNCFNFMXSA-N 1 2 325.376 2.024 20 10 EECDLO CC[C@H]([NH2+]Cc1cnn(CC)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001590467630 1349342471 /nfs/dbraw/zinc/34/24/71/1349342471.db2.gz ADOOKMGNTVCFCI-AWEZNQCLSA-N 1 2 327.392 2.030 20 10 EECDLO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001603679841 1350741131 /nfs/dbraw/zinc/74/11/31/1350741131.db2.gz XJBQHDYZUPCEPZ-BLLLJJGKSA-N 1 2 339.399 2.347 20 10 EECDLO C[C@H](c1nccc(N)n1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846766034 790520875 /nfs/dbraw/zinc/52/08/75/790520875.db2.gz JWLXQICTIKUVJK-CQSZACIVSA-N 1 2 327.432 2.088 20 10 EECDLO C[C@H](c1nccc(N)n1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846766034 790520884 /nfs/dbraw/zinc/52/08/84/790520884.db2.gz JWLXQICTIKUVJK-CQSZACIVSA-N 1 2 327.432 2.088 20 10 EECDLO COc1cc(Br)cc(C[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000780563022 787591990 /nfs/dbraw/zinc/59/19/90/787591990.db2.gz OFZDSPWRLAAWDN-MRVPVSSYSA-N 1 2 341.209 2.143 20 10 EECDLO CCn1cc(C[NH2+]Cc2cc(Br)cc(F)c2O)nn1 ZINC000715788271 795502995 /nfs/dbraw/zinc/50/29/95/795502995.db2.gz JRQQVEQWMPPNDR-UHFFFAOYSA-N 1 2 329.173 2.195 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)NC3CCCC3)CC2)cc1F ZINC000084866511 237007766 /nfs/dbraw/zinc/00/77/66/237007766.db2.gz XZBVUDMOZQHLCM-UHFFFAOYSA-N 1 2 335.423 2.015 20 10 EECDLO O=C(c1cccc(O)c1O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000193137869 237372013 /nfs/dbraw/zinc/37/20/13/237372013.db2.gz JVMKWMVGQHKDGT-UHFFFAOYSA-N 1 2 330.359 2.195 20 10 EECDLO COCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(Cl)c1O ZINC000091774141 462906029 /nfs/dbraw/zinc/90/60/29/462906029.db2.gz LLNONTWSBDLSCJ-UHFFFAOYSA-N 1 2 335.231 2.236 20 10 EECDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(Cl)c1O ZINC000091774141 462906030 /nfs/dbraw/zinc/90/60/30/462906030.db2.gz LLNONTWSBDLSCJ-UHFFFAOYSA-N 1 2 335.231 2.236 20 10 EECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000080612755 463336995 /nfs/dbraw/zinc/33/69/95/463336995.db2.gz RZAFRCVYKQAOCZ-CYBMUJFWSA-N 1 2 328.416 2.355 20 10 EECDLO O=C(NCc1ccccc1O)c1ccccc1C[NH+]1CCOCC1 ZINC000269140358 463887778 /nfs/dbraw/zinc/88/77/78/463887778.db2.gz MEUBBRHYPSPYKA-UHFFFAOYSA-N 1 2 326.396 2.154 20 10 EECDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000292737992 464325674 /nfs/dbraw/zinc/32/56/74/464325674.db2.gz HCFNGRMIHGTFCJ-SNVBAGLBSA-N 1 2 348.262 2.021 20 10 EECDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000292737992 464325678 /nfs/dbraw/zinc/32/56/78/464325678.db2.gz HCFNGRMIHGTFCJ-SNVBAGLBSA-N 1 2 348.262 2.021 20 10 EECDLO COCc1noc([C@@H](C)[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000181513206 464499200 /nfs/dbraw/zinc/49/92/00/464499200.db2.gz IQHGWYCYBVSKQH-CYBMUJFWSA-N 1 2 332.404 2.108 20 10 EECDLO Cc1cc(C[NH+]2CC(OCC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000751942471 577762866 /nfs/dbraw/zinc/76/28/66/577762866.db2.gz BUFVXHXNSCZBCH-UHFFFAOYSA-N 1 2 334.460 2.287 20 10 EECDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C(=O)N1C ZINC000895921207 684779992 /nfs/dbraw/zinc/77/99/92/684779992.db2.gz OBVRBUPAEHBFLW-ILXRZTDVSA-N 1 2 349.450 2.102 20 10 EECDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C(=O)N1C ZINC000895921207 684779996 /nfs/dbraw/zinc/77/99/96/684779996.db2.gz OBVRBUPAEHBFLW-ILXRZTDVSA-N 1 2 349.450 2.102 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896400590 684969840 /nfs/dbraw/zinc/96/98/40/684969840.db2.gz LRCHGSFLUGKTRV-GOSISDBHSA-N 1 2 341.459 2.481 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896400590 684969843 /nfs/dbraw/zinc/96/98/43/684969843.db2.gz LRCHGSFLUGKTRV-GOSISDBHSA-N 1 2 341.459 2.481 20 10 EECDLO Nc1ccc(CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000841959269 1188209098 /nfs/dbraw/zinc/20/90/98/1188209098.db2.gz MBMZGQGHGYBJJF-QGZVFWFLSA-N 1 2 326.400 2.069 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903280 1193598159 /nfs/dbraw/zinc/59/81/59/1193598159.db2.gz PPHNSVMDQPXFBE-YJYMSZOUSA-N 1 2 346.427 2.032 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272903280 1193598160 /nfs/dbraw/zinc/59/81/60/1193598160.db2.gz PPHNSVMDQPXFBE-YJYMSZOUSA-N 1 2 346.427 2.032 20 10 EECDLO COc1ccc(N2CC[NH+](CN3C(=O)C(C)(C)[C@H]3C3CC3)CC2)cc1 ZINC000811727632 1200267782 /nfs/dbraw/zinc/26/77/82/1200267782.db2.gz KTCKDSKKJWWRKF-GOSISDBHSA-N 1 2 343.471 2.422 20 10 EECDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(Br)cc1O ZINC000688549670 1210594271 /nfs/dbraw/zinc/59/42/71/1210594271.db2.gz GYPXAQJDSKHUHA-SECBINFHSA-N 1 2 336.251 2.020 20 10 EECDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000688549670 1210594273 /nfs/dbraw/zinc/59/42/73/1210594273.db2.gz GYPXAQJDSKHUHA-SECBINFHSA-N 1 2 336.251 2.020 20 10 EECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c1 ZINC000903198179 1239992754 /nfs/dbraw/zinc/99/27/54/1239992754.db2.gz GQRHLDOZKPFELL-LBPRGKRZSA-N 1 2 329.400 2.491 20 10 EECDLO CN(C)C(=O)c1cc2c([nH]1)C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001276958372 1300532609 /nfs/dbraw/zinc/53/26/09/1300532609.db2.gz MCMDETBSVMHUMT-UHFFFAOYSA-N 1 2 326.444 2.341 20 10 EECDLO CN(C)C(=O)c1cc2c([nH]1)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001276958372 1300532616 /nfs/dbraw/zinc/53/26/16/1300532616.db2.gz MCMDETBSVMHUMT-UHFFFAOYSA-N 1 2 326.444 2.341 20 10 EECDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000691675966 1303786090 /nfs/dbraw/zinc/78/60/90/1303786090.db2.gz JZSTXVVKCIWZTL-LBPRGKRZSA-N 1 2 327.222 2.255 20 10 EECDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000691675966 1303786093 /nfs/dbraw/zinc/78/60/93/1303786093.db2.gz JZSTXVVKCIWZTL-LBPRGKRZSA-N 1 2 327.222 2.255 20 10 EECDLO CC1(C)CN(Cc2cccc(Br)c2O)CC[N@@H+]1CCO ZINC000783713418 1304334942 /nfs/dbraw/zinc/33/49/42/1304334942.db2.gz BEJODKJWYCGEND-UHFFFAOYSA-N 1 2 343.265 2.043 20 10 EECDLO CC1(C)CN(Cc2cccc(Br)c2O)CC[N@H+]1CCO ZINC000783713418 1304334948 /nfs/dbraw/zinc/33/49/48/1304334948.db2.gz BEJODKJWYCGEND-UHFFFAOYSA-N 1 2 343.265 2.043 20 10 EECDLO CCn1nnc2c1CC[N@H+](Cc1c(C)cc(OC)cc1O)[C@@H]2COC ZINC001236808115 1305683679 /nfs/dbraw/zinc/68/36/79/1305683679.db2.gz KKKWEQJOHPLLMI-MRXNPFEDSA-N 1 2 346.431 2.066 20 10 EECDLO CCn1nnc2c1CC[N@@H+](Cc1c(C)cc(OC)cc1O)[C@@H]2COC ZINC001236808115 1305683688 /nfs/dbraw/zinc/68/36/88/1305683688.db2.gz KKKWEQJOHPLLMI-MRXNPFEDSA-N 1 2 346.431 2.066 20 10 EECDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c(O)c1Cl ZINC001236817083 1305687288 /nfs/dbraw/zinc/68/72/88/1305687288.db2.gz CMTSIEZDKLZECZ-DGCLKSJQSA-N 1 2 338.835 2.497 20 10 EECDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c(O)c1Cl ZINC001236817083 1305687295 /nfs/dbraw/zinc/68/72/95/1305687295.db2.gz CMTSIEZDKLZECZ-DGCLKSJQSA-N 1 2 338.835 2.497 20 10 EECDLO CCC(=O)NC1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139129286 1314708438 /nfs/dbraw/zinc/70/84/38/1314708438.db2.gz UKBUKVRWEGWIPO-UHFFFAOYSA-N 1 2 344.411 2.298 20 10 EECDLO Oc1c(F)ccc(F)c1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001139682061 1314758518 /nfs/dbraw/zinc/75/85/18/1314758518.db2.gz NDTWZPAOLIXWBD-UHFFFAOYSA-N 1 2 348.397 2.479 20 10 EECDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccccc3O)nc[nH+]2)C1 ZINC000840281748 1315344330 /nfs/dbraw/zinc/34/43/30/1315344330.db2.gz ZLERUOKOVNBUES-ZIAGYGMSSA-N 1 2 328.416 2.026 20 10 EECDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccccc3O)[nH+]cn2)C1 ZINC000840281748 1315344333 /nfs/dbraw/zinc/34/43/33/1315344333.db2.gz ZLERUOKOVNBUES-ZIAGYGMSSA-N 1 2 328.416 2.026 20 10 EECDLO COc1cccc(CC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001605317671 1351134869 /nfs/dbraw/zinc/13/48/69/1351134869.db2.gz UBXFBIRNRNHCGM-LBPRGKRZSA-N 1 2 339.399 2.474 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc(-c2nn[nH]n2)c1O ZINC001590002739 1349102413 /nfs/dbraw/zinc/10/24/13/1349102413.db2.gz GTJHBTORVFOZSH-NEPJUHHUSA-N 1 2 339.399 2.476 20 10 EECDLO CC[C@@H]([NH2+]CCC1CC(OC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590466644 1349341403 /nfs/dbraw/zinc/34/14/03/1349341403.db2.gz LCLNLFXCCXWBSP-KOHJWAIASA-N 1 2 331.420 2.428 20 10 EECDLO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001605907951 1351251231 /nfs/dbraw/zinc/25/12/31/1351251231.db2.gz RYNRIUVHOUCOLD-LRDDRELGSA-N 1 2 339.399 2.265 20 10 EECDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001607111639 1351423113 /nfs/dbraw/zinc/42/31/13/1351423113.db2.gz ZMUAKJZLHNWVDZ-UHFFFAOYSA-N 1 2 335.289 2.279 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC12CC2 ZINC001139129908 1372464416 /nfs/dbraw/zinc/46/44/16/1372464416.db2.gz KAQGGFCCDNVJJV-CQSZACIVSA-N 1 2 343.379 2.192 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC12CC2 ZINC001139129908 1372464421 /nfs/dbraw/zinc/46/44/21/1372464421.db2.gz KAQGGFCCDNVJJV-CQSZACIVSA-N 1 2 343.379 2.192 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)cc(F)c1O ZINC000840826356 783020559 /nfs/dbraw/zinc/02/05/59/783020559.db2.gz UXVJWPOPRAFTSE-IUCAKERBSA-N 1 2 345.212 2.471 20 10 EECDLO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894020049 780409299 /nfs/dbraw/zinc/40/92/99/780409299.db2.gz LHZXFBNJOXBNOJ-VIFPVBQESA-N 1 2 345.212 2.252 20 10 EECDLO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894020049 780409305 /nfs/dbraw/zinc/40/93/05/780409305.db2.gz LHZXFBNJOXBNOJ-VIFPVBQESA-N 1 2 345.212 2.252 20 10 EECDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894093534 780514200 /nfs/dbraw/zinc/51/42/00/780514200.db2.gz FKULTZGEVBIBMQ-UHFFFAOYSA-N 1 2 347.228 2.498 20 10 EECDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894093534 780514207 /nfs/dbraw/zinc/51/42/07/780514207.db2.gz FKULTZGEVBIBMQ-UHFFFAOYSA-N 1 2 347.228 2.498 20 10 EECDLO COCCOC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000824591464 788227924 /nfs/dbraw/zinc/22/79/24/788227924.db2.gz VRQUSVZSGCUZMJ-UHFFFAOYSA-N 1 2 347.814 2.487 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000844282014 788972631 /nfs/dbraw/zinc/97/26/31/788972631.db2.gz RFUQWLWSGYZIFC-UHFFFAOYSA-N 1 2 345.447 2.060 20 10 EECDLO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715804201 795537075 /nfs/dbraw/zinc/53/70/75/795537075.db2.gz NOELRKILNHFCNI-QMMMGPOBSA-N 1 2 333.201 2.297 20 10 EECDLO COc1ccc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)c(O)c1 ZINC000792878170 810051737 /nfs/dbraw/zinc/05/17/37/810051737.db2.gz OKJPYYUQQOFKHS-UHFFFAOYSA-N 1 2 345.399 2.421 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnc4cnccn34)CC2)cc1F ZINC000091923157 462913734 /nfs/dbraw/zinc/91/37/34/462913734.db2.gz XLXSSLXNYIVGLW-UHFFFAOYSA-N 1 2 341.390 2.199 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N(C)c3ccccc3)CC2)cc1 ZINC000068678609 463165132 /nfs/dbraw/zinc/16/51/32/463165132.db2.gz KGTKOMWKPZDPAK-UHFFFAOYSA-N 1 2 339.439 2.480 20 10 EECDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1 ZINC000278342292 463962626 /nfs/dbraw/zinc/96/26/26/463962626.db2.gz HSKYMAZFLLTRQZ-SNVBAGLBSA-N 1 2 338.360 2.225 20 10 EECDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1 ZINC000278342292 463962631 /nfs/dbraw/zinc/96/26/31/463962631.db2.gz HSKYMAZFLLTRQZ-SNVBAGLBSA-N 1 2 338.360 2.225 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273517961 464719893 /nfs/dbraw/zinc/71/98/93/464719893.db2.gz SXLCWBHZUBGTDF-GZMMTYOYSA-N 1 2 347.293 2.114 20 10 EECDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ncn(C)n1 ZINC000275792117 464789949 /nfs/dbraw/zinc/78/99/49/464789949.db2.gz XHEFUYYBVMIURG-QWHCGFSZSA-N 1 2 333.411 2.203 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000249273745 464857376 /nfs/dbraw/zinc/85/73/76/464857376.db2.gz CDBNGOUOEYYDSE-ZWKOTPCHSA-N 1 2 342.439 2.013 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000249273745 464857382 /nfs/dbraw/zinc/85/73/82/464857382.db2.gz CDBNGOUOEYYDSE-ZWKOTPCHSA-N 1 2 342.439 2.013 20 10 EECDLO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000276535514 464971143 /nfs/dbraw/zinc/97/11/43/464971143.db2.gz IDQUPEVGAQCLHS-GFCCVEGCSA-N 1 2 344.386 2.414 20 10 EECDLO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[N@H+]1CCc2ccccc2C1 ZINC000276535514 464971149 /nfs/dbraw/zinc/97/11/49/464971149.db2.gz IDQUPEVGAQCLHS-GFCCVEGCSA-N 1 2 344.386 2.414 20 10 EECDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000370697149 466968998 /nfs/dbraw/zinc/96/89/98/466968998.db2.gz JRQNJRKFXGXLAK-CYBMUJFWSA-N 1 2 338.360 2.227 20 10 EECDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000370697149 466969001 /nfs/dbraw/zinc/96/90/01/466969001.db2.gz JRQNJRKFXGXLAK-CYBMUJFWSA-N 1 2 338.360 2.227 20 10 EECDLO Cn1nnc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000370564779 534332515 /nfs/dbraw/zinc/33/25/15/534332515.db2.gz ZCYIRQFRKHOKOG-UHFFFAOYSA-N 1 2 334.427 2.063 20 10 EECDLO O=C(C1=CC(=O)CS1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000732262755 577161571 /nfs/dbraw/zinc/16/15/71/577161571.db2.gz XWOOZWZDWDMMNL-UHFFFAOYSA-N 1 2 342.424 2.059 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000775659589 577442005 /nfs/dbraw/zinc/44/20/05/577442005.db2.gz KOJDPXIIDIIYBB-AWEZNQCLSA-N 1 2 328.815 2.481 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000775659589 577442006 /nfs/dbraw/zinc/44/20/06/577442006.db2.gz KOJDPXIIDIIYBB-AWEZNQCLSA-N 1 2 328.815 2.481 20 10 EECDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2cccc3nonc32)C1 ZINC000765062052 577493828 /nfs/dbraw/zinc/49/38/28/577493828.db2.gz ZPIHQQLNKXMIGC-UHFFFAOYSA-N 1 2 344.396 2.012 20 10 EECDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2cccc3nonc32)C1 ZINC000765062052 577493829 /nfs/dbraw/zinc/49/38/29/577493829.db2.gz ZPIHQQLNKXMIGC-UHFFFAOYSA-N 1 2 344.396 2.012 20 10 EECDLO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756611358 577847504 /nfs/dbraw/zinc/84/75/04/577847504.db2.gz SECAQMCVWYLORM-LLVKDONJSA-N 1 2 345.355 2.015 20 10 EECDLO CNC(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756481446 578246028 /nfs/dbraw/zinc/24/60/28/578246028.db2.gz AARPBFDKLFAFFP-MRVPVSSYSA-N 1 2 333.201 2.471 20 10 EECDLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000895325821 684495873 /nfs/dbraw/zinc/49/58/73/684495873.db2.gz UHYWWHRWYSMCIV-NSHDSACASA-N 1 2 347.640 2.422 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000864926675 1198002892 /nfs/dbraw/zinc/00/28/92/1198002892.db2.gz LAEPJGBRMORAQH-AATRIKPKSA-N 1 2 331.460 2.037 20 10 EECDLO COc1cc(O)c(CNc2ccc(N3CCOCC3)c[nH+]2)cc1OC ZINC000802642666 1237898836 /nfs/dbraw/zinc/89/88/36/1237898836.db2.gz BAYMZGYCOOEDQI-UHFFFAOYSA-N 1 2 345.399 2.253 20 10 EECDLO CCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802656281 1237933442 /nfs/dbraw/zinc/93/34/42/1237933442.db2.gz NCSIKXMWHSWIHQ-GFCCVEGCSA-N 1 2 328.771 2.154 20 10 EECDLO CCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802656281 1237933449 /nfs/dbraw/zinc/93/34/49/1237933449.db2.gz NCSIKXMWHSWIHQ-GFCCVEGCSA-N 1 2 328.771 2.154 20 10 EECDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001276380329 1249969100 /nfs/dbraw/zinc/96/91/00/1249969100.db2.gz PKXFGPAZBYJSMN-IYBDPMFKSA-N 1 2 347.846 2.459 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Br)cc(F)c1O ZINC000858553692 1294153195 /nfs/dbraw/zinc/15/31/95/1294153195.db2.gz VTQZZNDZOIIVAC-UPZJHPNMSA-N 1 2 334.185 2.094 20 10 EECDLO CCOc1ccc(N2CC3(C2)C[NH+](Cc2cc(C)nn2C)C3)cc1 ZINC001276926272 1300296263 /nfs/dbraw/zinc/29/62/63/1300296263.db2.gz PQQUJZBUZBCHAN-UHFFFAOYSA-N 1 2 326.444 2.449 20 10 EECDLO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)CC[C@@H]21 ZINC001231909513 1303943854 /nfs/dbraw/zinc/94/38/54/1303943854.db2.gz BJROZNKKHLRUDN-HOTGVXAUSA-N 1 2 338.835 2.257 20 10 EECDLO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)CC[C@@H]21 ZINC001231909513 1303943859 /nfs/dbraw/zinc/94/38/59/1303943859.db2.gz BJROZNKKHLRUDN-HOTGVXAUSA-N 1 2 338.835 2.257 20 10 EECDLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194522 1304034893 /nfs/dbraw/zinc/03/48/93/1304034893.db2.gz JDBOAGZANMXYAT-HUUCEWRRSA-N 1 2 342.842 2.329 20 10 EECDLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194522 1304034897 /nfs/dbraw/zinc/03/48/97/1304034897.db2.gz JDBOAGZANMXYAT-HUUCEWRRSA-N 1 2 342.842 2.329 20 10 EECDLO COc1cc(O)c(C[N@@H+](C)CC(OC)OC)c(Br)c1 ZINC001237069953 1305786885 /nfs/dbraw/zinc/78/68/85/1305786885.db2.gz INPYYBWEXJLXDF-UHFFFAOYSA-N 1 2 334.210 2.214 20 10 EECDLO COc1cc(O)c(C[N@H+](C)CC(OC)OC)c(Br)c1 ZINC001237069953 1305786894 /nfs/dbraw/zinc/78/68/94/1305786894.db2.gz INPYYBWEXJLXDF-UHFFFAOYSA-N 1 2 334.210 2.214 20 10 EECDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]21 ZINC001237811519 1306106808 /nfs/dbraw/zinc/10/68/08/1306106808.db2.gz AFGZXOVCJZFJQR-IMRBUKKESA-N 1 2 326.799 2.387 20 10 EECDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]21 ZINC001237811519 1306106816 /nfs/dbraw/zinc/10/68/16/1306106816.db2.gz AFGZXOVCJZFJQR-IMRBUKKESA-N 1 2 326.799 2.387 20 10 EECDLO Oc1c(Cl)cc(F)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001237812421 1306106920 /nfs/dbraw/zinc/10/69/20/1306106920.db2.gz FZBKSRPKWFBQHC-AWEZNQCLSA-N 1 2 328.815 2.481 20 10 EECDLO Cn1cc[nH+]c1CCC(=O)NCc1cccc(Br)c1O ZINC001123852189 1310735051 /nfs/dbraw/zinc/73/50/51/1310735051.db2.gz IWBXUTWLPFRVCR-UHFFFAOYSA-N 1 2 338.205 2.137 20 10 EECDLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140465334 1314892266 /nfs/dbraw/zinc/89/22/66/1314892266.db2.gz OIPXOOPEGDOAMY-KRWDZBQOSA-N 1 2 338.835 2.259 20 10 EECDLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140465334 1314892271 /nfs/dbraw/zinc/89/22/71/1314892271.db2.gz OIPXOOPEGDOAMY-KRWDZBQOSA-N 1 2 338.835 2.259 20 10 EECDLO COc1cc(C[NH+]2CCN(c3ncccc3C)CC2)cc(O)c1O ZINC001204341462 1322118225 /nfs/dbraw/zinc/11/82/25/1322118225.db2.gz CSTLDKWBZCRHPV-UHFFFAOYSA-N 1 2 329.400 2.132 20 10 EECDLO OCCOC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001262109549 1322236604 /nfs/dbraw/zinc/23/66/04/1322236604.db2.gz WWWYYBRVADGPHN-UHFFFAOYSA-N 1 2 348.212 2.267 20 10 EECDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588404882 1322508709 /nfs/dbraw/zinc/50/87/09/1322508709.db2.gz PXKBOFYTCHBGHR-ZQMJAJRESA-N 1 2 341.411 2.326 20 10 EECDLO Cc1ccc(C)n1-c1ccc(C[NH+]2CCN(S(C)(=O)=O)CC2)cc1 ZINC001209518058 1324954484 /nfs/dbraw/zinc/95/44/84/1324954484.db2.gz MFAXFCQNMVEQNC-UHFFFAOYSA-N 1 2 347.484 2.171 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589961105 1349082394 /nfs/dbraw/zinc/08/23/94/1349082394.db2.gz AGTFJBVHRCDLSQ-WBIUFABUSA-N 1 2 329.404 2.181 20 10 EECDLO CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590462730 1349338814 /nfs/dbraw/zinc/33/88/14/1349338814.db2.gz RZEYOSDNLJYBJN-SWLSCSKDSA-N 1 2 332.452 2.343 20 10 EECDLO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466004 1349341063 /nfs/dbraw/zinc/34/10/63/1349341063.db2.gz JCADLDFROMPVSX-CQSZACIVSA-N 1 2 328.376 2.418 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)[C@H]3CCCO3)CC2)c(C)c(C)[nH+]1 ZINC001089799227 775816115 /nfs/dbraw/zinc/81/61/15/775816115.db2.gz CYFQHHDMHISQOA-QGZVFWFLSA-N 1 2 344.459 2.224 20 10 EECDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809700299 783289104 /nfs/dbraw/zinc/28/91/04/783289104.db2.gz CCHMZHCWLMEFLF-RISCZKNCSA-N 1 2 328.815 2.480 20 10 EECDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809700299 783289113 /nfs/dbraw/zinc/28/91/13/783289113.db2.gz CCHMZHCWLMEFLF-RISCZKNCSA-N 1 2 328.815 2.480 20 10 EECDLO CC[C@H]1C[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](CC)O1 ZINC000817281479 784623548 /nfs/dbraw/zinc/62/35/48/784623548.db2.gz WMLOCWAXRCDROP-ROUUACIJSA-N 1 2 333.476 2.258 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846110316 790053587 /nfs/dbraw/zinc/05/35/87/790053587.db2.gz YAVFFVRXOQLXEH-HACGYAERSA-N 1 2 337.416 2.237 20 10 EECDLO CNC(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000715757320 795495300 /nfs/dbraw/zinc/49/53/00/795495300.db2.gz FWUXNZZPJMRMPF-UHFFFAOYSA-N 1 2 345.212 2.252 20 10 EECDLO CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001172312308 796952544 /nfs/dbraw/zinc/95/25/44/796952544.db2.gz AKWOIZKEBYGVHS-NFAWXSAZSA-N 1 2 339.432 2.365 20 10 EECDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000789943468 808283625 /nfs/dbraw/zinc/28/36/25/808283625.db2.gz ZXHNPUDBRMTOCJ-UHFFFAOYSA-N 1 2 330.359 2.195 20 10 EECDLO CC[C@]1(C)C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000135589625 463180037 /nfs/dbraw/zinc/18/00/37/463180037.db2.gz RIPBDUYBIQEVSY-LJQANCHMSA-N 1 2 333.476 2.212 20 10 EECDLO CC[C@]1(C)C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000135589625 463180042 /nfs/dbraw/zinc/18/00/42/463180042.db2.gz RIPBDUYBIQEVSY-LJQANCHMSA-N 1 2 333.476 2.212 20 10 EECDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1 ZINC000158495326 463238068 /nfs/dbraw/zinc/23/80/68/463238068.db2.gz SDEQVSLCTRYGHF-UHFFFAOYSA-N 1 2 330.384 2.342 20 10 EECDLO COc1c(O)c(CNC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278909489 464007324 /nfs/dbraw/zinc/00/73/24/464007324.db2.gz SHGYSNPFVPCIOO-CYBMUJFWSA-N 1 2 325.409 2.375 20 10 EECDLO COCc1noc([C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000181519317 464500193 /nfs/dbraw/zinc/50/01/93/464500193.db2.gz ITPRLGFYYRQZNJ-CQSZACIVSA-N 1 2 346.431 2.246 20 10 EECDLO COCc1noc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000181519317 464500200 /nfs/dbraw/zinc/50/02/00/464500200.db2.gz ITPRLGFYYRQZNJ-CQSZACIVSA-N 1 2 346.431 2.246 20 10 EECDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000371449054 465801825 /nfs/dbraw/zinc/80/18/25/465801825.db2.gz DXQAVNXCZOVOIW-HNNXBMFYSA-N 1 2 338.835 2.155 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCCOCC3)CC2)cc1 ZINC000726713394 576291220 /nfs/dbraw/zinc/29/12/20/576291220.db2.gz NSVLBPBLCYENBD-UHFFFAOYSA-N 1 2 333.432 2.096 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000731283441 577092811 /nfs/dbraw/zinc/09/28/11/577092811.db2.gz KSELSEXDEOWXJY-OAHLLOKOSA-N 1 2 335.448 2.035 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000731283441 577092815 /nfs/dbraw/zinc/09/28/15/577092815.db2.gz KSELSEXDEOWXJY-OAHLLOKOSA-N 1 2 335.448 2.035 20 10 EECDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773114632 577316733 /nfs/dbraw/zinc/31/67/33/577316733.db2.gz YNAZMYZLVCDPOK-HNNXBMFYSA-N 1 2 348.491 2.224 20 10 EECDLO CCN(C(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000776157784 577453371 /nfs/dbraw/zinc/45/33/71/577453371.db2.gz TYGZHQHIQRPKPD-UHFFFAOYSA-N 1 2 329.356 2.443 20 10 EECDLO COC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769460533 577578343 /nfs/dbraw/zinc/57/83/43/577578343.db2.gz NKALVJBBDGVMFE-MRXNPFEDSA-N 1 2 349.431 2.432 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769460533 577578344 /nfs/dbraw/zinc/57/83/44/577578344.db2.gz NKALVJBBDGVMFE-MRXNPFEDSA-N 1 2 349.431 2.432 20 10 EECDLO CC1(C)C[NH+]=C(N2CCN(C(=O)C3=CC(=O)CS3)CC2)S1 ZINC000759090353 577636873 /nfs/dbraw/zinc/63/68/73/577636873.db2.gz NXUYAJBEZIVCRF-UHFFFAOYSA-N 1 2 325.459 2.093 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000761115558 577676930 /nfs/dbraw/zinc/67/69/30/577676930.db2.gz UDQPEBDDUXFPNN-AWEZNQCLSA-N 1 2 336.819 2.445 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000761115558 577676931 /nfs/dbraw/zinc/67/69/31/577676931.db2.gz UDQPEBDDUXFPNN-AWEZNQCLSA-N 1 2 336.819 2.445 20 10 EECDLO CC[N@@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCNC1=O ZINC000894661778 683020856 /nfs/dbraw/zinc/02/08/56/683020856.db2.gz FPCOCVQYOYDVSA-LLVKDONJSA-N 1 2 331.185 2.004 20 10 EECDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109772163 689932363 /nfs/dbraw/zinc/93/23/63/689932363.db2.gz SITDVRHWHLICPU-SFHVURJKSA-N 1 2 340.423 2.141 20 10 EECDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772163 689932366 /nfs/dbraw/zinc/93/23/66/689932366.db2.gz SITDVRHWHLICPU-SFHVURJKSA-N 1 2 340.423 2.141 20 10 EECDLO COc1ccc(C[NH2+]Cc2nnc(C)s2)cc1Cn1cccn1 ZINC000873102930 1198500801 /nfs/dbraw/zinc/50/08/01/1198500801.db2.gz VYUVGHMTJWPVDM-UHFFFAOYSA-N 1 2 329.429 2.390 20 10 EECDLO CCN(CC)C(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000121920727 1201709306 /nfs/dbraw/zinc/70/93/06/1201709306.db2.gz VKXSDUQDSUHOCO-UHFFFAOYSA-N 1 2 339.867 2.032 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ncco1 ZINC000924727458 1206025150 /nfs/dbraw/zinc/02/51/50/1206025150.db2.gz WDURGKDWGGQGFM-HIFRSBDPSA-N 1 2 328.416 2.227 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2cn(C)nn2)c1 ZINC000827304888 1247845536 /nfs/dbraw/zinc/84/55/36/1247845536.db2.gz IOXCMKKHVCABNC-UHFFFAOYSA-N 1 2 325.210 2.224 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2cn(C)nn2)c1 ZINC000827304888 1247845555 /nfs/dbraw/zinc/84/55/55/1247845555.db2.gz IOXCMKKHVCABNC-UHFFFAOYSA-N 1 2 325.210 2.224 20 10 EECDLO Cc1cc(C(=O)C[N@H+](CCO)C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000827411292 1248008017 /nfs/dbraw/zinc/00/80/17/1248008017.db2.gz PTZVVWHWAZERMK-UHFFFAOYSA-N 1 2 331.391 2.268 20 10 EECDLO Cc1cc(C(=O)C[N@@H+](CCO)C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000827411292 1248008023 /nfs/dbraw/zinc/00/80/23/1248008023.db2.gz PTZVVWHWAZERMK-UHFFFAOYSA-N 1 2 331.391 2.268 20 10 EECDLO CCN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)OC)CC[C@H]2C(=O)OC)cc1 ZINC000859600419 1294540902 /nfs/dbraw/zinc/54/09/02/1294540902.db2.gz CXRLJUPWCPSHGJ-WBVHZDCISA-N 1 2 348.443 2.069 20 10 EECDLO CCN(C)c1ccc(C[N@H+]2C[C@H](C(=O)OC)CC[C@H]2C(=O)OC)cc1 ZINC000859600419 1294540922 /nfs/dbraw/zinc/54/09/22/1294540922.db2.gz CXRLJUPWCPSHGJ-WBVHZDCISA-N 1 2 348.443 2.069 20 10 EECDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862365636 1295809092 /nfs/dbraw/zinc/80/90/92/1295809092.db2.gz VJXWSIRVQADCIQ-ZFWWWQNUSA-N 1 2 339.430 2.326 20 10 EECDLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](C(=O)NC(C)(C)C)O3)c(O)c1 ZINC001277569076 1303923240 /nfs/dbraw/zinc/92/32/40/1303923240.db2.gz UYSCETNRVBFFBW-INIZCTEOSA-N 1 2 332.444 2.349 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cc1Cl ZINC001232266703 1304058399 /nfs/dbraw/zinc/05/83/99/1304058399.db2.gz RHUGLEWJVNUSAG-YNZJMPHRSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cc1Cl ZINC001232266703 1304058406 /nfs/dbraw/zinc/05/84/06/1304058406.db2.gz RHUGLEWJVNUSAG-YNZJMPHRSA-N 1 2 327.808 2.026 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1Br ZINC001237681698 1306044940 /nfs/dbraw/zinc/04/49/40/1306044940.db2.gz KQIPTPOZVCYOKD-GFCCVEGCSA-N 1 2 339.233 2.270 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1Br ZINC001237681698 1306044951 /nfs/dbraw/zinc/04/49/51/1306044951.db2.gz KQIPTPOZVCYOKD-GFCCVEGCSA-N 1 2 339.233 2.270 20 10 EECDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)cc(Cl)c2O)O1 ZINC001237799362 1306098436 /nfs/dbraw/zinc/09/84/36/1306098436.db2.gz HKPYLIZEYMBUAO-MGPQQGTHSA-N 1 2 342.798 2.005 20 10 EECDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)cc(Cl)c2O)O1 ZINC001237799362 1306098448 /nfs/dbraw/zinc/09/84/48/1306098448.db2.gz HKPYLIZEYMBUAO-MGPQQGTHSA-N 1 2 342.798 2.005 20 10 EECDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1cc(F)cc(C)c1O ZINC001238060569 1306204594 /nfs/dbraw/zinc/20/45/94/1306204594.db2.gz BZNGUXZRTUKQIH-UHFFFAOYSA-N 1 2 341.379 2.158 20 10 EECDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1cc(F)cc(C)c1O ZINC001238060569 1306204602 /nfs/dbraw/zinc/20/46/02/1306204602.db2.gz BZNGUXZRTUKQIH-UHFFFAOYSA-N 1 2 341.379 2.158 20 10 EECDLO COc1ccc(C[N@H+](C)CCF)c(O)c1I ZINC001248501258 1310912018 /nfs/dbraw/zinc/91/20/18/1310912018.db2.gz LJNIHGRCORLRNZ-UHFFFAOYSA-N 1 2 339.148 2.407 20 10 EECDLO COc1ccc(C[N@@H+](C)CCF)c(O)c1I ZINC001248501258 1310912023 /nfs/dbraw/zinc/91/20/23/1310912023.db2.gz LJNIHGRCORLRNZ-UHFFFAOYSA-N 1 2 339.148 2.407 20 10 EECDLO Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)cc1Br ZINC001250129146 1317217432 /nfs/dbraw/zinc/21/74/32/1317217432.db2.gz YWKBLMFNHXYCDX-GFCCVEGCSA-N 1 2 339.233 2.270 20 10 EECDLO Cc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)cc1Br ZINC001250129146 1317217438 /nfs/dbraw/zinc/21/74/38/1317217438.db2.gz YWKBLMFNHXYCDX-GFCCVEGCSA-N 1 2 339.233 2.270 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cnn(CC)c21 ZINC001203877807 1321980806 /nfs/dbraw/zinc/98/08/06/1321980806.db2.gz KHCMMZIETVCSJK-HNNXBMFYSA-N 1 2 331.416 2.450 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cnn(CC)c21 ZINC001203877807 1321980808 /nfs/dbraw/zinc/98/08/08/1321980808.db2.gz KHCMMZIETVCSJK-HNNXBMFYSA-N 1 2 331.416 2.450 20 10 EECDLO COC(=O)c1cnc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203936098 1321994893 /nfs/dbraw/zinc/99/48/93/1321994893.db2.gz IYKFXFNEPYKXJQ-UHFFFAOYSA-N 1 2 325.412 2.493 20 10 EECDLO COC(=O)c1cnc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203936098 1321994898 /nfs/dbraw/zinc/99/48/98/1321994898.db2.gz IYKFXFNEPYKXJQ-UHFFFAOYSA-N 1 2 325.412 2.493 20 10 EECDLO CCOC(=O)c1nc2c(s1)C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001204280348 1322103416 /nfs/dbraw/zinc/10/34/16/1322103416.db2.gz JWCFBPFWZNLEMB-UHFFFAOYSA-N 1 2 334.397 2.289 20 10 EECDLO CCOC(=O)c1nc2c(s1)C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001204280348 1322103421 /nfs/dbraw/zinc/10/34/21/1322103421.db2.gz JWCFBPFWZNLEMB-UHFFFAOYSA-N 1 2 334.397 2.289 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001276470334 1322163125 /nfs/dbraw/zinc/16/31/25/1322163125.db2.gz MHHKUNAOZIOOBS-WBVHZDCISA-N 1 2 349.381 2.084 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001276470334 1322163131 /nfs/dbraw/zinc/16/31/31/1322163131.db2.gz MHHKUNAOZIOOBS-WBVHZDCISA-N 1 2 349.381 2.084 20 10 EECDLO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc(-c2nn[nH]n2)c1O ZINC001589977795 1349088352 /nfs/dbraw/zinc/08/83/52/1349088352.db2.gz JFAJBSKJGPRRKP-PZSREKOKSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@H]([NH2+]CC1(O)CCCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978924 1349091325 /nfs/dbraw/zinc/09/13/25/1349091325.db2.gz SLVCCYOSZUQGKM-LBPRGKRZSA-N 1 2 331.420 2.308 20 10 EECDLO CCc1nc(C[NH2+][C@@H](CC)c2cccc(-c3nn[nH]n3)c2O)co1 ZINC001590913483 1349410833 /nfs/dbraw/zinc/41/08/33/1349410833.db2.gz XUVKQDOPRCRCCH-ZDUSSCGKSA-N 1 2 328.376 2.364 20 10 EECDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001593538787 1349835075 /nfs/dbraw/zinc/83/50/75/1349835075.db2.gz GITISKHDMIRPGM-UHFFFAOYSA-N 1 2 335.289 2.279 20 10 EECDLO CC[C@@H]([NH2+]CCC1CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055063 1350840975 /nfs/dbraw/zinc/84/09/75/1350840975.db2.gz KZPGOEKCUZFDIR-OAHLLOKOSA-N 1 2 331.420 2.430 20 10 EECDLO Oc1c(F)cc(Br)cc1CN1CC[NH2+]CC(F)(F)C1 ZINC001211347267 759375127 /nfs/dbraw/zinc/37/51/27/759375127.db2.gz NKASJLABVQDEPG-UHFFFAOYSA-N 1 2 339.155 2.334 20 10 EECDLO CCCCC(=O)NCCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001089805937 775955801 /nfs/dbraw/zinc/95/58/01/775955801.db2.gz JUYQOIUOEKLALQ-UHFFFAOYSA-N 1 2 342.447 2.196 20 10 EECDLO Oc1cccc(Br)c1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000706830417 785778591 /nfs/dbraw/zinc/77/85/91/785778591.db2.gz WGCIOALJJWJFSB-NEPJUHHUSA-N 1 2 341.249 2.108 20 10 EECDLO CCOC(=O)c1c(C[N@H+](C)Cc2ccc(N(C)C)cc2)cnn1C ZINC001136910803 788249874 /nfs/dbraw/zinc/24/98/74/788249874.db2.gz IURJCMCJRKIWHD-UHFFFAOYSA-N 1 2 330.432 2.295 20 10 EECDLO CCOC(=O)c1c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cnn1C ZINC001136910803 788249881 /nfs/dbraw/zinc/24/98/81/788249881.db2.gz IURJCMCJRKIWHD-UHFFFAOYSA-N 1 2 330.432 2.295 20 10 EECDLO C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H](C)[N@H+]1CCO ZINC000824925633 788360205 /nfs/dbraw/zinc/36/02/05/788360205.db2.gz BFCOZANMJXGZPV-TXEJJXNPSA-N 1 2 343.265 2.042 20 10 EECDLO CCN1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)CC1=O ZINC000846092524 790047922 /nfs/dbraw/zinc/04/79/22/790047922.db2.gz FGLNORMOZHKCOL-SNVBAGLBSA-N 1 2 327.222 2.113 20 10 EECDLO CC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1O ZINC000846188737 790084011 /nfs/dbraw/zinc/08/40/11/790084011.db2.gz PAKSEGOKZUCAAB-MFKMUULPSA-N 1 2 332.853 2.120 20 10 EECDLO CO[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)C[C@@H]1OC ZINC000715739860 795492324 /nfs/dbraw/zinc/49/23/24/795492324.db2.gz WUNCFFOPICMBNJ-TXEJJXNPSA-N 1 2 334.185 2.139 20 10 EECDLO CO[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@@H]1OC ZINC000715739860 795492326 /nfs/dbraw/zinc/49/23/26/795492326.db2.gz WUNCFFOPICMBNJ-TXEJJXNPSA-N 1 2 334.185 2.139 20 10 EECDLO OCCCSCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715760626 795500300 /nfs/dbraw/zinc/50/03/00/795500300.db2.gz PCDQZBLJZQLCDO-UHFFFAOYSA-N 1 2 338.242 2.499 20 10 EECDLO COc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)c(O)c1 ZINC000792856544 810033204 /nfs/dbraw/zinc/03/32/04/810033204.db2.gz VFTRPCRQKOVGIK-UHFFFAOYSA-N 1 2 330.388 2.097 20 10 EECDLO CCN(CC)c1ccc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1F ZINC001339266599 1126181642 /nfs/dbraw/zinc/18/16/42/1126181642.db2.gz DRHOILDMQKPEMM-OAHLLOKOSA-N 1 2 334.395 2.181 20 10 EECDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000129112238 462689264 /nfs/dbraw/zinc/68/92/64/462689264.db2.gz SQCICGCHZJNIPI-CYBMUJFWSA-N 1 2 339.867 2.078 20 10 EECDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276674464 463714844 /nfs/dbraw/zinc/71/48/44/463714844.db2.gz ZRSGYFIIJUVSBU-LBPRGKRZSA-N 1 2 345.374 2.151 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000277764142 463930028 /nfs/dbraw/zinc/93/00/28/463930028.db2.gz MLJCJUOGGQSBME-AWEZNQCLSA-N 1 2 343.420 2.133 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000277764142 463930034 /nfs/dbraw/zinc/93/00/34/463930034.db2.gz MLJCJUOGGQSBME-AWEZNQCLSA-N 1 2 343.420 2.133 20 10 EECDLO CC(C)S(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000178692965 463943981 /nfs/dbraw/zinc/94/39/81/463943981.db2.gz QEDCCLUJOXJYAS-MRXNPFEDSA-N 1 2 341.473 2.196 20 10 EECDLO CC(C)S(=O)(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000178692965 463943984 /nfs/dbraw/zinc/94/39/84/463943984.db2.gz QEDCCLUJOXJYAS-MRXNPFEDSA-N 1 2 341.473 2.196 20 10 EECDLO CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)c1cccc(Cl)c1O ZINC000287889708 464024894 /nfs/dbraw/zinc/02/48/94/464024894.db2.gz YYNZXVYQWIQLBR-ZDUSSCGKSA-N 1 2 334.869 2.414 20 10 EECDLO Nc1ccc(CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000237891346 464396789 /nfs/dbraw/zinc/39/67/89/464396789.db2.gz UEBLJQCZTCYJKD-UHFFFAOYSA-N 1 2 339.439 2.035 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000293880610 464423354 /nfs/dbraw/zinc/42/33/54/464423354.db2.gz JSAIMEAENFOZIV-LLVKDONJSA-N 1 2 347.864 2.311 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000293880610 464423361 /nfs/dbraw/zinc/42/33/61/464423361.db2.gz JSAIMEAENFOZIV-LLVKDONJSA-N 1 2 347.864 2.311 20 10 EECDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000302918216 466213368 /nfs/dbraw/zinc/21/33/68/466213368.db2.gz XQBBKCOACSQEIA-UHFFFAOYSA-N 1 2 327.432 2.300 20 10 EECDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000302918216 466213374 /nfs/dbraw/zinc/21/33/74/466213374.db2.gz XQBBKCOACSQEIA-UHFFFAOYSA-N 1 2 327.432 2.300 20 10 EECDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368621784 466689609 /nfs/dbraw/zinc/68/96/09/466689609.db2.gz KHGQALXUNRZFAL-CHWSQXEVSA-N 1 2 343.807 2.207 20 10 EECDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368621784 466689614 /nfs/dbraw/zinc/68/96/14/466689614.db2.gz KHGQALXUNRZFAL-CHWSQXEVSA-N 1 2 343.807 2.207 20 10 EECDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773369917 577337120 /nfs/dbraw/zinc/33/71/20/577337120.db2.gz FFYUNBLIFWXRAX-OAHLLOKOSA-N 1 2 348.491 2.224 20 10 EECDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773369917 577337125 /nfs/dbraw/zinc/33/71/25/577337125.db2.gz FFYUNBLIFWXRAX-OAHLLOKOSA-N 1 2 348.491 2.224 20 10 EECDLO Cc1cccn2cc(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)[nH+]c12 ZINC000773768721 577363782 /nfs/dbraw/zinc/36/37/82/577363782.db2.gz ZATZCEOQAGZYGG-ZDUSSCGKSA-N 1 2 339.395 2.344 20 10 EECDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766934914 577527251 /nfs/dbraw/zinc/52/72/51/577527251.db2.gz PTWUHCRHCSXHAN-NVXWUHKLSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766934914 577527252 /nfs/dbraw/zinc/52/72/52/577527252.db2.gz PTWUHCRHCSXHAN-NVXWUHKLSA-N 1 2 333.476 2.210 20 10 EECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)c1 ZINC000756382048 577843017 /nfs/dbraw/zinc/84/30/17/577843017.db2.gz QLPIUIZCIUBTEK-ZBEGNZNMSA-N 1 2 328.368 2.056 20 10 EECDLO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756611363 577847462 /nfs/dbraw/zinc/84/74/62/577847462.db2.gz SECAQMCVWYLORM-NSHDSACASA-N 1 2 345.355 2.015 20 10 EECDLO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H]1CCCO1 ZINC000891242366 676231901 /nfs/dbraw/zinc/23/19/01/676231901.db2.gz FRIDTVLKDIUXSJ-JCGIZDLHSA-N 1 2 333.476 2.287 20 10 EECDLO CC(C)(CN1CCOCC1)[NH2+]Cc1cccc(Br)c1O ZINC000308639834 676784801 /nfs/dbraw/zinc/78/48/01/676784801.db2.gz NPQANIHGSUOTBR-UHFFFAOYSA-N 1 2 343.265 2.355 20 10 EECDLO COc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000877775930 1200093030 /nfs/dbraw/zinc/09/30/30/1200093030.db2.gz UHRWOXXJVWDQQZ-CQSZACIVSA-N 1 2 332.322 2.044 20 10 EECDLO COc1cccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000877775930 1200093038 /nfs/dbraw/zinc/09/30/38/1200093038.db2.gz UHRWOXXJVWDQQZ-CQSZACIVSA-N 1 2 332.322 2.044 20 10 EECDLO O=[N+]([O-])c1ccc(O)c(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000812778724 1200907089 /nfs/dbraw/zinc/90/70/89/1200907089.db2.gz NQNWWOCVPLZVHI-QGZVFWFLSA-N 1 2 343.383 2.479 20 10 EECDLO O=[N+]([O-])c1ccc(O)c(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000812778724 1200907099 /nfs/dbraw/zinc/90/70/99/1200907099.db2.gz NQNWWOCVPLZVHI-QGZVFWFLSA-N 1 2 343.383 2.479 20 10 EECDLO OCc1cc[nH+]c(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000881824752 1201767986 /nfs/dbraw/zinc/76/79/86/1201767986.db2.gz SMYIWOOAJWOQGD-UHFFFAOYSA-N 1 2 331.391 2.286 20 10 EECDLO C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1O ZINC000868436166 1201811849 /nfs/dbraw/zinc/81/18/49/1201811849.db2.gz KAIPYZSZQSIDKA-KGLIPLIRSA-N 1 2 326.400 2.426 20 10 EECDLO CC[C@@H](C)N1CC2(C[NH+](Cc3c(C)cc(C)cc3O)C2)OCC1=O ZINC001274214411 1204467107 /nfs/dbraw/zinc/46/71/07/1204467107.db2.gz XCLZHIYUSQCQRD-OAHLLOKOSA-N 1 2 332.444 2.221 20 10 EECDLO Cc1cccc(O)c1C[N@@H+]1C[C@]2(F)CN(CC(F)F)C(=O)[C@]2(F)C1 ZINC001274302966 1204991323 /nfs/dbraw/zinc/99/13/23/1204991323.db2.gz AHBUCGOMEBDFPR-JKSUJKDBSA-N 1 2 346.324 2.040 20 10 EECDLO Cc1cccc(O)c1C[N@H+]1C[C@]2(F)CN(CC(F)F)C(=O)[C@]2(F)C1 ZINC001274302966 1204991325 /nfs/dbraw/zinc/99/13/25/1204991325.db2.gz AHBUCGOMEBDFPR-JKSUJKDBSA-N 1 2 346.324 2.040 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N(CC(C)C)C3CC3)CC2)cc1 ZINC000076456981 1209218605 /nfs/dbraw/zinc/21/86/05/1209218605.db2.gz SPTQIGXJFZMCJF-UHFFFAOYSA-N 1 2 345.487 2.464 20 10 EECDLO COc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)c(O)c1 ZINC000795285939 1212421072 /nfs/dbraw/zinc/42/10/72/1212421072.db2.gz WLGNAIHXGJGCMU-UHFFFAOYSA-N 1 2 332.429 2.356 20 10 EECDLO COc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)c(O)c1 ZINC000795285939 1212421074 /nfs/dbraw/zinc/42/10/74/1212421074.db2.gz WLGNAIHXGJGCMU-UHFFFAOYSA-N 1 2 332.429 2.356 20 10 EECDLO C[N@@H+](Cc1c(O)cccc1Br)[C@H]1CCCCNC1=O ZINC000862237670 1295763979 /nfs/dbraw/zinc/76/39/79/1295763979.db2.gz UEIVDXXKYMOZDU-LBPRGKRZSA-N 1 2 327.222 2.255 20 10 EECDLO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1C[NH2+]CC1(F)F ZINC001218232507 1297609970 /nfs/dbraw/zinc/60/99/70/1297609970.db2.gz CQHYOYQHCYXOPV-ZDUSSCGKSA-N 1 2 345.301 2.154 20 10 EECDLO COc1ccc(O)c(C[NH+]2CC3(C2)CC[C@H](C(=O)NC(C)(C)C)O3)c1 ZINC001277463110 1303391011 /nfs/dbraw/zinc/39/10/11/1303391011.db2.gz IFMUFYGPSGXNIB-MRXNPFEDSA-N 1 2 348.443 2.049 20 10 EECDLO Cn1c[nH+]c2c1CCN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001232200224 1304035357 /nfs/dbraw/zinc/03/53/57/1304035357.db2.gz QKXQDXUOZLYJLZ-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)c1ccncc1 ZINC001233079678 1304353677 /nfs/dbraw/zinc/35/36/77/1304353677.db2.gz JWJXZEFHHTZMQR-UHFFFAOYSA-N 1 2 347.365 2.460 20 10 EECDLO COc1cc(O)c(C[NH+]2CC3(CC(O)C3)C2)c(Br)c1 ZINC001237063551 1305784867 /nfs/dbraw/zinc/78/48/67/1305784867.db2.gz TXVCFBVOZCEDAZ-UHFFFAOYSA-N 1 2 328.206 2.120 20 10 EECDLO COC[C@@H]1CC[N@H+]1Cc1cccc(I)c1O ZINC001237785396 1306091555 /nfs/dbraw/zinc/09/15/55/1306091555.db2.gz FPDNCBMIMDAGFD-JTQLQIEISA-N 1 2 333.169 2.218 20 10 EECDLO Cc1noc([C@H]2CC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139132753 1314708884 /nfs/dbraw/zinc/70/88/84/1314708884.db2.gz ZURVXTSDWWAOEJ-LBPRGKRZSA-N 1 2 341.367 2.488 20 10 EECDLO Cc1noc([C@H]2CC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139132753 1314708888 /nfs/dbraw/zinc/70/88/88/1314708888.db2.gz ZURVXTSDWWAOEJ-LBPRGKRZSA-N 1 2 341.367 2.488 20 10 EECDLO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2c(F)ccc(F)c2O)C1 ZINC001139681913 1314758388 /nfs/dbraw/zinc/75/83/88/1314758388.db2.gz HMNPLBNPZPXRPO-LBPRGKRZSA-N 1 2 336.386 2.061 20 10 EECDLO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589950551 1349075014 /nfs/dbraw/zinc/07/50/14/1349075014.db2.gz UDDVBRKYDPMJBW-MQIPJXDCSA-N 1 2 339.399 2.345 20 10 EECDLO COc1c(O)c(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000862432449 1369536469 /nfs/dbraw/zinc/53/64/69/1369536469.db2.gz DHEIMXKCKKDXMN-UHFFFAOYSA-N 1 2 348.359 2.138 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(OC)c1 ZINC001138390351 1372388707 /nfs/dbraw/zinc/38/87/07/1372388707.db2.gz SFJXWDSAYGQEGZ-MRXNPFEDSA-N 1 2 333.432 2.178 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(OC)c1 ZINC001138390351 1372388711 /nfs/dbraw/zinc/38/87/11/1372388711.db2.gz SFJXWDSAYGQEGZ-MRXNPFEDSA-N 1 2 333.432 2.178 20 10 EECDLO COc1cc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c(O)cc1C ZINC000179437181 773759029 /nfs/dbraw/zinc/75/90/29/773759029.db2.gz VOQZUMMEOCTDCZ-UHFFFAOYSA-N 1 2 341.411 2.062 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)[C@H](O)C(C)C)CC2)c(C)c(C)[nH+]1 ZINC001089828941 777245458 /nfs/dbraw/zinc/24/54/58/777245458.db2.gz GSUCWQYPUSIRMV-QGZVFWFLSA-N 1 2 346.475 2.062 20 10 EECDLO COC(=O)c1c(C[N@H+](C)Cc2cnn(C)c2)c2cc(F)ccc2n1C ZINC000893909007 780313325 /nfs/dbraw/zinc/31/33/25/780313325.db2.gz IGCMZGISZSWTDJ-UHFFFAOYSA-N 1 2 344.390 2.470 20 10 EECDLO COC(=O)c1c(C[N@@H+](C)Cc2cnn(C)c2)c2cc(F)ccc2n1C ZINC000893909007 780313331 /nfs/dbraw/zinc/31/33/31/780313331.db2.gz IGCMZGISZSWTDJ-UHFFFAOYSA-N 1 2 344.390 2.470 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000825279196 788547863 /nfs/dbraw/zinc/54/78/63/788547863.db2.gz PWCZZDHMQXIYMK-LLVKDONJSA-N 1 2 329.803 2.420 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000825279196 788547888 /nfs/dbraw/zinc/54/78/88/788547888.db2.gz PWCZZDHMQXIYMK-LLVKDONJSA-N 1 2 329.803 2.420 20 10 EECDLO CN1CCCc2cc(CNC(=O)NCCCn3cc[nH+]c3)ccc21 ZINC000058483288 789907362 /nfs/dbraw/zinc/90/73/62/789907362.db2.gz OBZQKWBZKVCWPU-UHFFFAOYSA-N 1 2 327.432 2.155 20 10 EECDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCN(C(C)=O)C2)C1 ZINC001169556141 803841211 /nfs/dbraw/zinc/84/12/11/803841211.db2.gz PACFOEKTFYPFOA-AWEZNQCLSA-N 1 2 327.428 2.166 20 10 EECDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2CCN(C(C)=O)C2)C1 ZINC001169556141 803841219 /nfs/dbraw/zinc/84/12/19/803841219.db2.gz PACFOEKTFYPFOA-AWEZNQCLSA-N 1 2 327.428 2.166 20 10 EECDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000126258615 463619876 /nfs/dbraw/zinc/61/98/76/463619876.db2.gz XJDOTEQSZSAOFM-GFCCVEGCSA-N 1 2 328.453 2.289 20 10 EECDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000126258615 463619883 /nfs/dbraw/zinc/61/98/83/463619883.db2.gz XJDOTEQSZSAOFM-GFCCVEGCSA-N 1 2 328.453 2.289 20 10 EECDLO CCCS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000121041222 463069337 /nfs/dbraw/zinc/06/93/37/463069337.db2.gz KPPPNNAMYGIHCA-MRXNPFEDSA-N 1 2 341.473 2.198 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000058160690 463545255 /nfs/dbraw/zinc/54/52/55/463545255.db2.gz ZVGOQFWTSMSXFZ-HNNXBMFYSA-N 1 2 331.460 2.265 20 10 EECDLO O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279154041 464047376 /nfs/dbraw/zinc/04/73/76/464047376.db2.gz HPKXNVJHQYCPLQ-HNNXBMFYSA-N 1 2 329.400 2.256 20 10 EECDLO CC(=O)c1cc(C[N@H+]2CC[C@H](C)C2)c([O-])c(C[NH+]2CCOCC2)c1 ZINC000725777934 576022191 /nfs/dbraw/zinc/02/21/91/576022191.db2.gz JJIGPCBGHFAINB-AWEZNQCLSA-N 1 2 332.444 2.269 20 10 EECDLO CC(=O)c1cc(C[N@@H+]2CC[C@H](C)C2)c([O-])c(C[NH+]2CCOCC2)c1 ZINC000725777934 576022193 /nfs/dbraw/zinc/02/21/93/576022193.db2.gz JJIGPCBGHFAINB-AWEZNQCLSA-N 1 2 332.444 2.269 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NC[C@@]3(C)CCOC3)CC2)cc1 ZINC000733353168 577225039 /nfs/dbraw/zinc/22/50/39/577225039.db2.gz VXTFIKHUEGAYBN-LJQANCHMSA-N 1 2 347.459 2.390 20 10 EECDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000754667635 577810538 /nfs/dbraw/zinc/81/05/38/577810538.db2.gz DNAMDGDGOFQWSM-GOSISDBHSA-N 1 2 339.439 2.487 20 10 EECDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000754667635 577810539 /nfs/dbraw/zinc/81/05/39/577810539.db2.gz DNAMDGDGOFQWSM-GOSISDBHSA-N 1 2 339.439 2.487 20 10 EECDLO CN(C)c1ccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000755847045 577832831 /nfs/dbraw/zinc/83/28/31/577832831.db2.gz ZARNHELLNPOLQR-HNNXBMFYSA-N 1 2 327.432 2.185 20 10 EECDLO C[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)c(F)cc1O ZINC000756516231 577845520 /nfs/dbraw/zinc/84/55/20/577845520.db2.gz IPFAGMUGFSCCLG-QMMMGPOBSA-N 1 2 333.201 2.423 20 10 EECDLO CC[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160565532 676342754 /nfs/dbraw/zinc/34/27/54/676342754.db2.gz MDPRNOPVWDAINL-LLVKDONJSA-N 1 2 348.262 2.164 20 10 EECDLO CC[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160565532 676342755 /nfs/dbraw/zinc/34/27/55/676342755.db2.gz MDPRNOPVWDAINL-LLVKDONJSA-N 1 2 348.262 2.164 20 10 EECDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H](C)[S@@]1=O ZINC000894407982 682846606 /nfs/dbraw/zinc/84/66/06/682846606.db2.gz PEKKPDFFZNNXEE-GHIWOLQHSA-N 1 2 327.446 2.141 20 10 EECDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H](C)[S@@]1=O ZINC000894407982 682846610 /nfs/dbraw/zinc/84/66/10/682846610.db2.gz PEKKPDFFZNNXEE-GHIWOLQHSA-N 1 2 327.446 2.141 20 10 EECDLO O=C1N(C2CCCC2)C[C@@]2(F)C[N@@H+](Cc3ccccc3O)C[C@@]12F ZINC001272618146 1190932930 /nfs/dbraw/zinc/93/29/30/1190932930.db2.gz BYVCTZLRUPHBOX-ZWKOTPCHSA-N 1 2 336.382 2.409 20 10 EECDLO O=C1N(C2CCCC2)C[C@@]2(F)C[N@H+](Cc3ccccc3O)C[C@@]12F ZINC001272618146 1190932933 /nfs/dbraw/zinc/93/29/33/1190932933.db2.gz BYVCTZLRUPHBOX-ZWKOTPCHSA-N 1 2 336.382 2.409 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1F ZINC000865635320 1198309248 /nfs/dbraw/zinc/30/92/48/1198309248.db2.gz DDSFVUWQKNNOFV-AATRIKPKSA-N 1 2 349.450 2.177 20 10 EECDLO CCn1ncnc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000876945559 1199826704 /nfs/dbraw/zinc/82/67/04/1199826704.db2.gz FDBRXWGTUMDHDJ-ZIAGYGMSSA-N 1 2 347.438 2.341 20 10 EECDLO COCc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)no1 ZINC000882917569 1201974284 /nfs/dbraw/zinc/97/42/84/1201974284.db2.gz PDVYFFQURROEDO-UHFFFAOYSA-N 1 2 349.406 2.211 20 10 EECDLO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001275277184 1205297416 /nfs/dbraw/zinc/29/74/16/1205297416.db2.gz VBYATCHYUYTPTR-CALCHBBNSA-N 1 2 347.846 2.459 20 10 EECDLO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001275277184 1205297417 /nfs/dbraw/zinc/29/74/17/1205297417.db2.gz VBYATCHYUYTPTR-CALCHBBNSA-N 1 2 347.846 2.459 20 10 EECDLO O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001275420692 1205352732 /nfs/dbraw/zinc/35/27/32/1205352732.db2.gz ZYISTXXLMLZHAI-GASCZTMLSA-N 1 2 344.436 2.187 20 10 EECDLO O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001275420692 1205352734 /nfs/dbraw/zinc/35/27/34/1205352734.db2.gz ZYISTXXLMLZHAI-GASCZTMLSA-N 1 2 344.436 2.187 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000800533645 1234275116 /nfs/dbraw/zinc/27/51/16/1234275116.db2.gz CBFWRLMEBGRQLR-LLVKDONJSA-N 1 2 348.262 2.082 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000800533645 1234275119 /nfs/dbraw/zinc/27/51/19/1234275119.db2.gz CBFWRLMEBGRQLR-LLVKDONJSA-N 1 2 348.262 2.082 20 10 EECDLO Cc1ccc(O)c(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000858133518 1294017025 /nfs/dbraw/zinc/01/70/25/1294017025.db2.gz XAHUPLJLGODAPO-UHFFFAOYSA-N 1 2 328.416 2.275 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC001203635694 1321929504 /nfs/dbraw/zinc/92/95/04/1321929504.db2.gz DSJVQMKVPVDWQX-VZJVUDMVSA-N 1 2 342.233 2.126 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC001203635694 1321929506 /nfs/dbraw/zinc/92/95/06/1321929506.db2.gz DSJVQMKVPVDWQX-VZJVUDMVSA-N 1 2 342.233 2.126 20 10 EECDLO O=C([C@@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1)N1CCCC12CC2 ZINC001277447021 1303084440 /nfs/dbraw/zinc/08/44/40/1303084440.db2.gz YTKRVAJCUVMVCN-KRWDZBQOSA-N 1 2 342.439 2.281 20 10 EECDLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](C(=O)NC(C)(C)C)O3)c(O)c1 ZINC001277569077 1303923400 /nfs/dbraw/zinc/92/34/00/1303923400.db2.gz UYSCETNRVBFFBW-MRXNPFEDSA-N 1 2 332.444 2.349 20 10 EECDLO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccc(Cl)c2O)cn1 ZINC001231909544 1303944127 /nfs/dbraw/zinc/94/41/27/1303944127.db2.gz CJNIXAROXNMTQJ-LSDHHAIUSA-N 1 2 346.818 2.159 20 10 EECDLO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2cccc(Cl)c2O)cn1 ZINC001231909544 1303944128 /nfs/dbraw/zinc/94/41/28/1303944128.db2.gz CJNIXAROXNMTQJ-LSDHHAIUSA-N 1 2 346.818 2.159 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)cc1Cl ZINC001232266701 1304058456 /nfs/dbraw/zinc/05/84/56/1304058456.db2.gz RHUGLEWJVNUSAG-CKUKBARFSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)cc1Cl ZINC001232266701 1304058463 /nfs/dbraw/zinc/05/84/63/1304058463.db2.gz RHUGLEWJVNUSAG-CKUKBARFSA-N 1 2 327.808 2.026 20 10 EECDLO COC(=O)c1c(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c2ccccc2n1C ZINC001232402951 1304108658 /nfs/dbraw/zinc/10/86/58/1304108658.db2.gz SJPCDZLKKFWWNG-MAUKXSAKSA-N 1 2 334.391 2.260 20 10 EECDLO COC(=O)c1c(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)c2ccccc2n1C ZINC001232402951 1304108661 /nfs/dbraw/zinc/10/86/61/1304108661.db2.gz SJPCDZLKKFWWNG-MAUKXSAKSA-N 1 2 334.391 2.260 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1O ZINC001233287742 1304417864 /nfs/dbraw/zinc/41/78/64/1304417864.db2.gz GFSUUAWALUPHQB-DDTOSNHZSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1O ZINC001233287742 1304417869 /nfs/dbraw/zinc/41/78/69/1304417869.db2.gz GFSUUAWALUPHQB-DDTOSNHZSA-N 1 2 327.808 2.026 20 10 EECDLO Oc1cc(O)c(CN2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)cc1O ZINC001233486509 1304478236 /nfs/dbraw/zinc/47/82/36/1304478236.db2.gz PACXNFFQYPZQNB-INIZCTEOSA-N 1 2 326.396 2.218 20 10 EECDLO Oc1cc(O)c(CN2CC[N@H+]3CCc4ccccc4[C@@H]3C2)cc1O ZINC001233486509 1304478241 /nfs/dbraw/zinc/47/82/41/1304478241.db2.gz PACXNFFQYPZQNB-INIZCTEOSA-N 1 2 326.396 2.218 20 10 EECDLO Oc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cc1O ZINC001233487693 1304479771 /nfs/dbraw/zinc/47/97/71/1304479771.db2.gz OPJZQBKKLKIJOH-INIZCTEOSA-N 1 2 342.386 2.499 20 10 EECDLO COCC(=O)NC1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236795604 1305679458 /nfs/dbraw/zinc/67/94/58/1305679458.db2.gz HXLQNMXJHXXFNO-UHFFFAOYSA-N 1 2 347.242 2.426 20 10 EECDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236803037 1305681182 /nfs/dbraw/zinc/68/11/82/1305681182.db2.gz LXOKIXGHYGJFDY-LLVKDONJSA-N 1 2 347.242 2.426 20 10 EECDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236803037 1305681188 /nfs/dbraw/zinc/68/11/88/1305681188.db2.gz LXOKIXGHYGJFDY-LLVKDONJSA-N 1 2 347.242 2.426 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1c(C)cccc1O ZINC001237485277 1305954274 /nfs/dbraw/zinc/95/42/74/1305954274.db2.gz FWQJARFFSMIXRY-QGZVFWFLSA-N 1 2 342.443 2.448 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1c(C)cccc1O ZINC001237485277 1305954282 /nfs/dbraw/zinc/95/42/82/1305954282.db2.gz FWQJARFFSMIXRY-QGZVFWFLSA-N 1 2 342.443 2.448 20 10 EECDLO COc1cc(C[NH+]2CCN(CC(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237672890 1306038186 /nfs/dbraw/zinc/03/81/86/1306038186.db2.gz BFBLIJKARUXZJN-UHFFFAOYSA-N 1 2 334.338 2.089 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2nnn(CC)c21 ZINC001203623254 1321925174 /nfs/dbraw/zinc/92/51/74/1321925174.db2.gz OGALQHUOHHMMBL-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2nnn(CC)c21 ZINC001203623254 1321925177 /nfs/dbraw/zinc/92/51/77/1321925177.db2.gz OGALQHUOHHMMBL-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001332888466 1335925115 /nfs/dbraw/zinc/92/51/15/1335925115.db2.gz COJUMZVIVMSMQL-HNNXBMFYSA-N 1 2 342.443 2.336 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC001332888466 1335925120 /nfs/dbraw/zinc/92/51/20/1335925120.db2.gz COJUMZVIVMSMQL-HNNXBMFYSA-N 1 2 342.443 2.336 20 10 EECDLO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589960575 1349080998 /nfs/dbraw/zinc/08/09/98/1349080998.db2.gz CDAQBGHJDXWKHW-GFCCVEGCSA-N 1 2 330.436 2.097 20 10 EECDLO CCc1nc(CC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)cs1 ZINC001604555193 1350960269 /nfs/dbraw/zinc/96/02/69/1350960269.db2.gz GOYNYXZTUJYYAS-SNVBAGLBSA-N 1 2 344.444 2.485 20 10 EECDLO COc1ccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c(O)c1 ZINC000045301740 1352577644 /nfs/dbraw/zinc/57/76/44/1352577644.db2.gz WQEGZCJZSIQASE-UHFFFAOYSA-N 1 2 332.425 2.420 20 10 EECDLO O=C(NCc1ccco1)C12CC(C1)C[N@H+]2Cc1c(O)cccc1F ZINC001137836067 1372281744 /nfs/dbraw/zinc/28/17/44/1372281744.db2.gz UNTLUFOQFYMKMQ-UHFFFAOYSA-N 1 2 330.359 2.405 20 10 EECDLO O=C(NCc1ccco1)C12CC(C1)C[N@@H+]2Cc1c(O)cccc1F ZINC001137836067 1372281746 /nfs/dbraw/zinc/28/17/46/1372281746.db2.gz UNTLUFOQFYMKMQ-UHFFFAOYSA-N 1 2 330.359 2.405 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CC(N3CCOCC3)C2)c(OC)c1 ZINC001138389096 1372388722 /nfs/dbraw/zinc/38/87/22/1372388722.db2.gz JVBXHFBOYUQRCF-UHFFFAOYSA-N 1 2 333.476 2.058 20 10 EECDLO COC[C@H](C)C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089812201 776234268 /nfs/dbraw/zinc/23/42/68/776234268.db2.gz BUPHPOANOQNVFO-ZDUSSCGKSA-N 1 2 346.475 2.327 20 10 EECDLO O=C(CCc1[nH]cc[nH+]1)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089827643 777204428 /nfs/dbraw/zinc/20/44/28/777204428.db2.gz QGMKUQZZOHEDSE-UHFFFAOYSA-N 1 2 343.406 2.219 20 10 EECDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](CC)CO1 ZINC000844386693 789056407 /nfs/dbraw/zinc/05/64/07/789056407.db2.gz JMLUXGOJUSEMMH-SJLPKXTDSA-N 1 2 333.476 2.258 20 10 EECDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](CC)CO1 ZINC000844386693 789056415 /nfs/dbraw/zinc/05/64/15/789056415.db2.gz JMLUXGOJUSEMMH-SJLPKXTDSA-N 1 2 333.476 2.258 20 10 EECDLO Oc1c(Br)cccc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846111565 790054772 /nfs/dbraw/zinc/05/47/72/790054772.db2.gz UFLVCDPKHHLOSR-AWEZNQCLSA-N 1 2 330.222 2.176 20 10 EECDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000793210790 810208749 /nfs/dbraw/zinc/20/87/49/810208749.db2.gz YUPZAMHDGPJQRU-CQSZACIVSA-N 1 2 328.416 2.056 20 10 EECDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000793210790 810208752 /nfs/dbraw/zinc/20/87/52/810208752.db2.gz YUPZAMHDGPJQRU-CQSZACIVSA-N 1 2 328.416 2.056 20 10 EECDLO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C(F)(F)F)O1 ZINC000793698820 810490512 /nfs/dbraw/zinc/49/05/12/810490512.db2.gz IERLEWZDLCFCQE-GXTWGEPZSA-N 1 2 347.333 2.360 20 10 EECDLO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C(F)(F)F)O1 ZINC000793698820 810490517 /nfs/dbraw/zinc/49/05/17/810490517.db2.gz IERLEWZDLCFCQE-GXTWGEPZSA-N 1 2 347.333 2.360 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)CCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000279515825 464115280 /nfs/dbraw/zinc/11/52/80/464115280.db2.gz AUNSXFSNXGSZPO-UHFFFAOYSA-N 1 2 338.395 2.248 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)CCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000279515825 464115284 /nfs/dbraw/zinc/11/52/84/464115284.db2.gz AUNSXFSNXGSZPO-UHFFFAOYSA-N 1 2 338.395 2.248 20 10 EECDLO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000179847035 464197629 /nfs/dbraw/zinc/19/76/29/464197629.db2.gz LBWFIUQBJAGXOX-AWEZNQCLSA-N 1 2 331.840 2.280 20 10 EECDLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179847035 464197636 /nfs/dbraw/zinc/19/76/36/464197636.db2.gz LBWFIUQBJAGXOX-AWEZNQCLSA-N 1 2 331.840 2.280 20 10 EECDLO CCOc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000271854547 464394709 /nfs/dbraw/zinc/39/47/09/464394709.db2.gz UOKXYDUGILZXMH-OAHLLOKOSA-N 1 2 333.409 2.409 20 10 EECDLO Nc1[nH+]cnc(NCc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000272959339 464697936 /nfs/dbraw/zinc/69/79/36/464697936.db2.gz AGOAUOOLOATHSG-UHFFFAOYSA-N 1 2 337.786 2.300 20 10 EECDLO Nc1nc[nH+]c(NCc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000272959339 464697946 /nfs/dbraw/zinc/69/79/46/464697946.db2.gz AGOAUOOLOATHSG-UHFFFAOYSA-N 1 2 337.786 2.300 20 10 EECDLO COC(C[N@H+](CCCO)Cc1cc(Cl)cc(C(C)=O)c1O)OC ZINC000273614295 464722463 /nfs/dbraw/zinc/72/24/63/464722463.db2.gz OTFXPSVFHLTCKU-UHFFFAOYSA-N 1 2 345.823 2.052 20 10 EECDLO COC(C[N@@H+](CCCO)Cc1cc(Cl)cc(C(C)=O)c1O)OC ZINC000273614295 464722469 /nfs/dbraw/zinc/72/24/69/464722469.db2.gz OTFXPSVFHLTCKU-UHFFFAOYSA-N 1 2 345.823 2.052 20 10 EECDLO COCCc1noc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2O)n1 ZINC000184696801 465019080 /nfs/dbraw/zinc/01/90/80/465019080.db2.gz XZAVZSLAUDNVSO-UHFFFAOYSA-N 1 2 341.795 2.258 20 10 EECDLO O=C(CCn1cc[nH+]c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298787456 465505512 /nfs/dbraw/zinc/50/55/12/465505512.db2.gz CIWXVOVSJKYVRG-MRXNPFEDSA-N 1 2 329.400 2.187 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N(C)Cc3ccco3)CC2)cc1 ZINC000039561511 524424607 /nfs/dbraw/zinc/42/46/07/524424607.db2.gz DGIHARHTTRFKQK-UHFFFAOYSA-N 1 2 343.427 2.069 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCc3cc(C)on3)CC2)cc1 ZINC000726613834 576280716 /nfs/dbraw/zinc/28/07/16/576280716.db2.gz RTHUQCLBNIEUAV-UHFFFAOYSA-N 1 2 344.415 2.460 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)[C@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000763442509 577721243 /nfs/dbraw/zinc/72/12/43/577721243.db2.gz STSDHULUEUZJSY-IEBWSBKVSA-N 1 2 330.428 2.207 20 10 EECDLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756355684 577842601 /nfs/dbraw/zinc/84/26/01/577842601.db2.gz QTSPTRFMGONMTN-HTQZYQBOSA-N 1 2 333.201 2.469 20 10 EECDLO C[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(Br)c(F)cc1O ZINC000756369954 577842810 /nfs/dbraw/zinc/84/28/10/577842810.db2.gz FKMYPEFSNZSNQY-QMMMGPOBSA-N 1 2 345.212 2.471 20 10 EECDLO C[C@@H]([NH2+]Cc1nncn1C)c1cc(Br)cc(F)c1O ZINC000756403911 577843458 /nfs/dbraw/zinc/84/34/58/577843458.db2.gz ZBLIOPMKJHXAMT-SSDOTTSWSA-N 1 2 329.173 2.273 20 10 EECDLO COc1cccc(O)c1CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000877706341 1200044717 /nfs/dbraw/zinc/04/47/17/1200044717.db2.gz DMILSAGEXBKPGC-UHFFFAOYSA-N 1 2 328.412 2.424 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275775151 1205521735 /nfs/dbraw/zinc/52/17/35/1205521735.db2.gz WUKUUXNDRJSOOH-GASCZTMLSA-N 1 2 338.398 2.498 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275775151 1205521737 /nfs/dbraw/zinc/52/17/37/1205521737.db2.gz WUKUUXNDRJSOOH-GASCZTMLSA-N 1 2 338.398 2.498 20 10 EECDLO COC1(CC(=O)N2CCC23C[NH+](Cc2cc(F)ccc2O)C3)CCC1 ZINC001275906888 1205581797 /nfs/dbraw/zinc/58/17/97/1205581797.db2.gz OQPHZSVXLXXDDI-UHFFFAOYSA-N 1 2 348.418 2.277 20 10 EECDLO Cc1c(O)ccc(CN2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)c1O ZINC001276118230 1205782218 /nfs/dbraw/zinc/78/22/18/1205782218.db2.gz SEEBROOAYSTOBQ-WMZOPIPTSA-N 1 2 332.444 2.234 20 10 EECDLO Cc1c(O)ccc(CN2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)c1O ZINC001276118230 1205782220 /nfs/dbraw/zinc/78/22/20/1205782220.db2.gz SEEBROOAYSTOBQ-WMZOPIPTSA-N 1 2 332.444 2.234 20 10 EECDLO CC(=O)N1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC001203649695 1321932219 /nfs/dbraw/zinc/93/22/19/1321932219.db2.gz AZOOAJACUIDKSL-SNVBAGLBSA-N 1 2 327.222 2.207 20 10 EECDLO CC(=O)N1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC001203649695 1321932220 /nfs/dbraw/zinc/93/22/20/1321932220.db2.gz AZOOAJACUIDKSL-SNVBAGLBSA-N 1 2 327.222 2.207 20 10 EECDLO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1F ZINC000862326587 1295792483 /nfs/dbraw/zinc/79/24/83/1295792483.db2.gz QICXMMFBPDUQCB-ZDUSSCGKSA-N 1 2 338.402 2.067 20 10 EECDLO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1F ZINC000862326587 1295792491 /nfs/dbraw/zinc/79/24/91/1295792491.db2.gz QICXMMFBPDUQCB-ZDUSSCGKSA-N 1 2 338.402 2.067 20 10 EECDLO COC(=O)c1c(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)c2ccccc2n1C ZINC001232406822 1304109820 /nfs/dbraw/zinc/10/98/20/1304109820.db2.gz YJGLXNQOKCINHF-ZDUSSCGKSA-N 1 2 343.427 2.018 20 10 EECDLO COC(=O)c1c(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)c2ccccc2n1C ZINC001232406822 1304109821 /nfs/dbraw/zinc/10/98/21/1304109821.db2.gz YJGLXNQOKCINHF-ZDUSSCGKSA-N 1 2 343.427 2.018 20 10 EECDLO COCCOc1ccc(N2CCN(Cc3c[nH+]c(C)[nH]3)CC2)cc1 ZINC001232465949 1304135881 /nfs/dbraw/zinc/13/58/81/1304135881.db2.gz SCWKWNYHKWOELT-UHFFFAOYSA-N 1 2 330.432 2.066 20 10 EECDLO Oc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1O ZINC001233487445 1304479842 /nfs/dbraw/zinc/47/98/42/1304479842.db2.gz DCYZFYTUUAPEDS-OAHLLOKOSA-N 1 2 328.359 2.109 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3cc(C)ncn3)CC2)c(Cl)c1 ZINC001236806672 1305684085 /nfs/dbraw/zinc/68/40/85/1305684085.db2.gz YVZICDNFNJRTRQ-UHFFFAOYSA-N 1 2 348.834 2.475 20 10 EECDLO CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1 ZINC001237814929 1306106841 /nfs/dbraw/zinc/10/68/41/1306106841.db2.gz TUZNFUQQOZQYQK-SWLSCSKDSA-N 1 2 328.815 2.337 20 10 EECDLO CC[N@H+]1CCO[C@@H]2CN(Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1 ZINC001237814929 1306106845 /nfs/dbraw/zinc/10/68/45/1306106845.db2.gz TUZNFUQQOZQYQK-SWLSCSKDSA-N 1 2 328.815 2.337 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)CC(C)C)CC2)c(OC)c1 ZINC001141029153 1315020345 /nfs/dbraw/zinc/02/03/45/1315020345.db2.gz KMLGFUPUFKBBER-UHFFFAOYSA-N 1 2 336.432 2.100 20 10 EECDLO COc1cccc(C[NH+]2CCN(Cc3cc(O)ccc3O)CC2)c1 ZINC001141161203 1315052010 /nfs/dbraw/zinc/05/20/10/1315052010.db2.gz OTZXGXVDMXKVFS-UHFFFAOYSA-N 1 2 328.412 2.424 20 10 EECDLO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Br)c(F)cc1O ZINC000840833074 1315418961 /nfs/dbraw/zinc/41/89/61/1315418961.db2.gz IOCBJFXEXBWDNU-YUMQZZPRSA-N 1 2 331.185 2.081 20 10 EECDLO CC(C)(O)CN1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249263209 1317037968 /nfs/dbraw/zinc/03/79/68/1317037968.db2.gz FDTKKYZVYKRZFY-UHFFFAOYSA-N 1 2 346.471 2.465 20 10 EECDLO Oc1cc(-c2[nH]c3cc(F)c(N4CCOCC4)cc3[nH+]2)cc(O)c1O ZINC001251248510 1317439898 /nfs/dbraw/zinc/43/98/98/1317439898.db2.gz VFYJXXIYLRVHQS-UHFFFAOYSA-N 1 2 345.330 2.322 20 10 EECDLO Oc1ccc(C[N@@H+]2CCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001204273044 1322098245 /nfs/dbraw/zinc/09/82/45/1322098245.db2.gz KAKSBJVLNWUXEB-UHFFFAOYSA-N 1 2 329.400 2.237 20 10 EECDLO Oc1ccc(C[N@H+]2CCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001204273044 1322098252 /nfs/dbraw/zinc/09/82/52/1322098252.db2.gz KAKSBJVLNWUXEB-UHFFFAOYSA-N 1 2 329.400 2.237 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001204336273 1322115254 /nfs/dbraw/zinc/11/52/54/1322115254.db2.gz KSXRNTQVQTXNQO-BXKDBHETSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001204336273 1322115257 /nfs/dbraw/zinc/11/52/57/1322115257.db2.gz KSXRNTQVQTXNQO-BXKDBHETSA-N 1 2 348.212 2.316 20 10 EECDLO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204348471 1322122853 /nfs/dbraw/zinc/12/28/53/1322122853.db2.gz NDWHUMDFKQHLJY-AWEZNQCLSA-N 1 2 347.415 2.069 20 10 EECDLO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204348471 1322122868 /nfs/dbraw/zinc/12/28/68/1322122868.db2.gz NDWHUMDFKQHLJY-AWEZNQCLSA-N 1 2 347.415 2.069 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3cncs3)CC2)cc1 ZINC001209551225 1324965794 /nfs/dbraw/zinc/96/57/94/1324965794.db2.gz RMBBDJBASXHEGM-UHFFFAOYSA-N 1 2 333.457 2.491 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cccc(-c2nn[nH]n2)c1O ZINC001589974559 1349087652 /nfs/dbraw/zinc/08/76/52/1349087652.db2.gz YQXFWQQIMCZRMR-KHIZAZIESA-N 1 2 329.404 2.325 20 10 EECDLO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001603551728 1350718701 /nfs/dbraw/zinc/71/87/01/1350718701.db2.gz DFYOAOFYCIJLEM-WDEREUQCSA-N 1 2 347.419 2.201 20 10 EECDLO CC[C@@H]([NH2+]Cc1cnccc1OC)c1cccc(-c2nn[nH]n2)c1O ZINC001604059883 1350843753 /nfs/dbraw/zinc/84/37/53/1350843753.db2.gz BALPITXNOYBCDR-CQSZACIVSA-N 1 2 340.387 2.217 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001139129931 1372463805 /nfs/dbraw/zinc/46/38/05/1372463805.db2.gz KOWCPEVDPDTCLY-ZDUSSCGKSA-N 1 2 342.395 2.004 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001139129931 1372463807 /nfs/dbraw/zinc/46/38/07/1372463807.db2.gz KOWCPEVDPDTCLY-ZDUSSCGKSA-N 1 2 342.395 2.004 20 10 EECDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1 ZINC000179764530 774227783 /nfs/dbraw/zinc/22/77/83/774227783.db2.gz QLGUOSDCWQWYAU-UHFFFAOYSA-N 1 2 342.395 2.064 20 10 EECDLO Oc1c(Br)cc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000708087388 786738098 /nfs/dbraw/zinc/73/80/98/786738098.db2.gz BHKPSCYPGMPFIZ-UWVGGRQHSA-N 1 2 331.641 2.459 20 10 EECDLO COCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708169336 786763753 /nfs/dbraw/zinc/76/37/53/786763753.db2.gz GKCWJKKEUBUEHQ-SNVBAGLBSA-N 1 2 338.629 2.295 20 10 EECDLO COCC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708169335 786764425 /nfs/dbraw/zinc/76/44/25/786764425.db2.gz GKCWJKKEUBUEHQ-JTQLQIEISA-N 1 2 338.629 2.295 20 10 EECDLO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000824710001 788283827 /nfs/dbraw/zinc/28/38/27/788283827.db2.gz VBGNQOOJJSZPMZ-MFKMUULPSA-N 1 2 330.222 2.296 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000844857291 789404463 /nfs/dbraw/zinc/40/44/63/789404463.db2.gz SCKAZAWQDMUDAU-HNNXBMFYSA-N 1 2 330.432 2.438 20 10 EECDLO COc1cc(C(=O)NC2C[NH+]([C@H](C)c3ccccc3)C2)cc(OC)n1 ZINC001030614061 791287880 /nfs/dbraw/zinc/28/78/80/791287880.db2.gz AUAZGUCKHHCNDI-CYBMUJFWSA-N 1 2 341.411 2.274 20 10 EECDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715794176 795504737 /nfs/dbraw/zinc/50/47/37/795504737.db2.gz JALLOMMGJBOYOT-DCXZOGHSSA-N 1 2 338.242 2.493 20 10 EECDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715794176 795504743 /nfs/dbraw/zinc/50/47/43/795504743.db2.gz JALLOMMGJBOYOT-DCXZOGHSSA-N 1 2 338.242 2.493 20 10 EECDLO CCCNC(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715805076 795536973 /nfs/dbraw/zinc/53/69/73/795536973.db2.gz UQRMBOOIVLZPGW-UHFFFAOYSA-N 1 2 333.201 2.300 20 10 EECDLO CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810267 796605067 /nfs/dbraw/zinc/60/50/67/796605067.db2.gz YSLBJSYZGIHNLD-SNPRPXQTSA-N 1 2 347.394 2.496 20 10 EECDLO CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810267 796605071 /nfs/dbraw/zinc/60/50/71/796605071.db2.gz YSLBJSYZGIHNLD-SNPRPXQTSA-N 1 2 347.394 2.496 20 10 EECDLO C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105302453 533107097 /nfs/dbraw/zinc/10/70/97/533107097.db2.gz HLFQWCFTFFWNQY-CVEARBPZSA-N 1 2 348.491 2.003 20 10 EECDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278478722 463966901 /nfs/dbraw/zinc/96/69/01/463966901.db2.gz IZPNLIULTCCSSG-MFKMUULPSA-N 1 2 338.360 2.083 20 10 EECDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278478722 463966905 /nfs/dbraw/zinc/96/69/05/463966905.db2.gz IZPNLIULTCCSSG-MFKMUULPSA-N 1 2 338.360 2.083 20 10 EECDLO O=C1C[N@H+](Cc2cccc(NCc3cc(F)ccc3O)c2)CCN1 ZINC000291038986 464142002 /nfs/dbraw/zinc/14/20/02/464142002.db2.gz GGGPDWJQOAQURI-UHFFFAOYSA-N 1 2 329.375 2.075 20 10 EECDLO O=C1C[N@@H+](Cc2cccc(NCc3cc(F)ccc3O)c2)CCN1 ZINC000291038986 464142005 /nfs/dbraw/zinc/14/20/05/464142005.db2.gz GGGPDWJQOAQURI-UHFFFAOYSA-N 1 2 329.375 2.075 20 10 EECDLO CN(C)c1ccc(CN(C(=O)NCc2[nH+]ccn2C)C2CC2)cc1 ZINC000264237033 464291163 /nfs/dbraw/zinc/29/11/63/464291163.db2.gz WKSCWJHUMBMEDP-UHFFFAOYSA-N 1 2 327.432 2.360 20 10 EECDLO CS[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1N(C)C ZINC000272042991 464459005 /nfs/dbraw/zinc/45/90/05/464459005.db2.gz OZYMIEWTVYJONQ-LSDHHAIUSA-N 1 2 326.437 2.211 20 10 EECDLO CS[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1N(C)C ZINC000272042991 464459011 /nfs/dbraw/zinc/45/90/11/464459011.db2.gz OZYMIEWTVYJONQ-LSDHHAIUSA-N 1 2 326.437 2.211 20 10 EECDLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1 ZINC000294983474 464670542 /nfs/dbraw/zinc/67/05/42/464670542.db2.gz KBBWWXYOHSJWMX-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1 ZINC000294983474 464670544 /nfs/dbraw/zinc/67/05/44/464670544.db2.gz KBBWWXYOHSJWMX-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000266331765 464771579 /nfs/dbraw/zinc/77/15/79/464771579.db2.gz VYOWKWOJGNWNBS-UHFFFAOYSA-N 1 2 348.491 2.005 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000184693863 465019473 /nfs/dbraw/zinc/01/94/73/465019473.db2.gz NOJDMICLFUMIFU-SNVBAGLBSA-N 1 2 347.864 2.452 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000184693863 465019474 /nfs/dbraw/zinc/01/94/74/465019474.db2.gz NOJDMICLFUMIFU-SNVBAGLBSA-N 1 2 347.864 2.452 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000367859764 466547355 /nfs/dbraw/zinc/54/73/55/466547355.db2.gz QMUXVXGDDYRMJO-NSHDSACASA-N 1 2 345.848 2.115 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000367859764 466547357 /nfs/dbraw/zinc/54/73/57/466547357.db2.gz QMUXVXGDDYRMJO-NSHDSACASA-N 1 2 345.848 2.115 20 10 EECDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000368281408 466594199 /nfs/dbraw/zinc/59/41/99/466594199.db2.gz BQXYBYHIVDVQKT-SFHVURJKSA-N 1 2 340.379 2.102 20 10 EECDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368621788 466689182 /nfs/dbraw/zinc/68/91/82/466689182.db2.gz KHGQALXUNRZFAL-QWHCGFSZSA-N 1 2 343.807 2.207 20 10 EECDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368621788 466689187 /nfs/dbraw/zinc/68/91/87/466689187.db2.gz KHGQALXUNRZFAL-QWHCGFSZSA-N 1 2 343.807 2.207 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000377695788 467119373 /nfs/dbraw/zinc/11/93/73/467119373.db2.gz MTTKNUTXPKSKGS-UONOGXRCSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000377695788 467119376 /nfs/dbraw/zinc/11/93/76/467119376.db2.gz MTTKNUTXPKSKGS-UONOGXRCSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cccc(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)c1O ZINC000729859272 576685812 /nfs/dbraw/zinc/68/58/12/576685812.db2.gz JSTQFLLLHKJDTL-UHFFFAOYSA-N 1 2 325.368 2.216 20 10 EECDLO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c(O)c1 ZINC000769191725 577572046 /nfs/dbraw/zinc/57/20/46/577572046.db2.gz BTCDSJXVXHWXGD-GOSISDBHSA-N 1 2 326.396 2.464 20 10 EECDLO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c(O)c1 ZINC000769191725 577572047 /nfs/dbraw/zinc/57/20/47/577572047.db2.gz BTCDSJXVXHWXGD-GOSISDBHSA-N 1 2 326.396 2.464 20 10 EECDLO FC(F)(F)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769464876 577578357 /nfs/dbraw/zinc/57/83/57/577578357.db2.gz BGKJDUYJCIGJQD-OAHLLOKOSA-N 1 2 330.350 2.286 20 10 EECDLO FC(F)(F)[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769464876 577578358 /nfs/dbraw/zinc/57/83/58/577578358.db2.gz BGKJDUYJCIGJQD-OAHLLOKOSA-N 1 2 330.350 2.286 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)cc1 ZINC000895487703 684617909 /nfs/dbraw/zinc/61/79/09/684617909.db2.gz HQSNXHCVXQBPCK-KRWDZBQOSA-N 1 2 327.432 2.172 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)cc1 ZINC000895487703 684617911 /nfs/dbraw/zinc/61/79/11/684617911.db2.gz HQSNXHCVXQBPCK-KRWDZBQOSA-N 1 2 327.432 2.172 20 10 EECDLO CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001274441540 1205037443 /nfs/dbraw/zinc/03/74/43/1205037443.db2.gz DILLXSZOBXEFHB-INIZCTEOSA-N 1 2 340.782 2.156 20 10 EECDLO CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001274441540 1205037447 /nfs/dbraw/zinc/03/74/47/1205037447.db2.gz DILLXSZOBXEFHB-INIZCTEOSA-N 1 2 340.782 2.156 20 10 EECDLO O=C(Cc1ccsc1)N1CCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275419139 1205351891 /nfs/dbraw/zinc/35/18/91/1205351891.db2.gz IQOZTKDNGGKBJF-UHFFFAOYSA-N 1 2 344.436 2.189 20 10 EECDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000826994406 1248793652 /nfs/dbraw/zinc/79/36/52/1248793652.db2.gz GKVSGIPIQKWFTM-LLVKDONJSA-N 1 2 341.205 2.181 20 10 EECDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000826994406 1248793663 /nfs/dbraw/zinc/79/36/63/1248793663.db2.gz GKVSGIPIQKWFTM-LLVKDONJSA-N 1 2 341.205 2.181 20 10 EECDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000900439254 1234355284 /nfs/dbraw/zinc/35/52/84/1234355284.db2.gz BNACIISPWFJUSE-GOSISDBHSA-N 1 2 342.443 2.226 20 10 EECDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c(C)n1-c1ccccn1 ZINC000857942533 1293961124 /nfs/dbraw/zinc/96/11/24/1293961124.db2.gz CIOJHHSFORHDMM-HNNXBMFYSA-N 1 2 335.411 2.430 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(N3CCOC(C)(C)C3)C2)cc1Cl ZINC001232270136 1304059364 /nfs/dbraw/zinc/05/93/64/1304059364.db2.gz UXHFEASCSOSBJH-UHFFFAOYSA-N 1 2 340.851 2.349 20 10 EECDLO COC(=O)c1c(C[N@@H+]2CCc3nn(C)cc3C2)c2ccccc2n1C ZINC001232405203 1304109887 /nfs/dbraw/zinc/10/98/87/1304109887.db2.gz IBGCMKCYMWODAF-UHFFFAOYSA-N 1 2 338.411 2.257 20 10 EECDLO COC(=O)c1c(C[N@H+]2CCc3nn(C)cc3C2)c2ccccc2n1C ZINC001232405203 1304109889 /nfs/dbraw/zinc/10/98/89/1304109889.db2.gz IBGCMKCYMWODAF-UHFFFAOYSA-N 1 2 338.411 2.257 20 10 EECDLO COc1cccc(N2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)c1 ZINC001233010858 1304326452 /nfs/dbraw/zinc/32/64/52/1304326452.db2.gz VWEYWZDGBIGHTM-UHFFFAOYSA-N 1 2 330.384 2.134 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760854 1304581213 /nfs/dbraw/zinc/58/12/13/1304581213.db2.gz LVLBGILFDKXPRQ-LBPRGKRZSA-N 1 2 349.305 2.055 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760854 1304581220 /nfs/dbraw/zinc/58/12/20/1304581220.db2.gz LVLBGILFDKXPRQ-LBPRGKRZSA-N 1 2 349.305 2.055 20 10 EECDLO O=C1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]2CCCN12 ZINC001233760845 1304581386 /nfs/dbraw/zinc/58/13/86/1304581386.db2.gz LQMNGZNPBAYDQV-LLVKDONJSA-N 1 2 330.306 2.097 20 10 EECDLO O=C1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]2CCCN12 ZINC001233760845 1304581390 /nfs/dbraw/zinc/58/13/90/1304581390.db2.gz LQMNGZNPBAYDQV-LLVKDONJSA-N 1 2 330.306 2.097 20 10 EECDLO OC[C@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236926182 1305730968 /nfs/dbraw/zinc/73/09/68/1305730968.db2.gz BYFFSBLNTXYRAZ-INIZCTEOSA-N 1 2 328.815 2.083 20 10 EECDLO OC[C@]1(F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236926182 1305730974 /nfs/dbraw/zinc/73/09/74/1305730974.db2.gz BYFFSBLNTXYRAZ-INIZCTEOSA-N 1 2 328.815 2.083 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001139127030 1314708240 /nfs/dbraw/zinc/70/82/40/1314708240.db2.gz BYZRIPIDBZLTTF-UHFFFAOYSA-N 1 2 346.402 2.425 20 10 EECDLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129272 1314708327 /nfs/dbraw/zinc/70/83/27/1314708327.db2.gz UBUANEUTXFSVCY-YPMHNXCESA-N 1 2 345.395 2.438 20 10 EECDLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129272 1314708330 /nfs/dbraw/zinc/70/83/30/1314708330.db2.gz UBUANEUTXFSVCY-YPMHNXCESA-N 1 2 345.395 2.438 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001139128477 1314708425 /nfs/dbraw/zinc/70/84/25/1314708425.db2.gz VGIOUNLGCOTSAI-AWEZNQCLSA-N 1 2 328.412 2.477 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001139128477 1314708430 /nfs/dbraw/zinc/70/84/30/1314708430.db2.gz VGIOUNLGCOTSAI-AWEZNQCLSA-N 1 2 328.412 2.477 20 10 EECDLO COc1cccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)c1O ZINC000840257199 1315337070 /nfs/dbraw/zinc/33/70/70/1315337070.db2.gz YEVALSKBUGEYNJ-JSGCOSHPSA-N 1 2 344.415 2.010 20 10 EECDLO COc1cccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)c1O ZINC000840257199 1315337075 /nfs/dbraw/zinc/33/70/75/1315337075.db2.gz YEVALSKBUGEYNJ-JSGCOSHPSA-N 1 2 344.415 2.010 20 10 EECDLO COC[C@@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCC[NH2+]1 ZINC000841066704 1315466354 /nfs/dbraw/zinc/46/63/54/1315466354.db2.gz FJQYJQDOWZVKFX-AWEZNQCLSA-N 1 2 329.238 2.013 20 10 EECDLO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc(O)c1O ZINC001204351466 1322124271 /nfs/dbraw/zinc/12/42/71/1322124271.db2.gz RVULJXJQJKLDJE-HNNXBMFYSA-N 1 2 342.386 2.412 20 10 EECDLO C[C@H]1C[N@H+](Cc2cccc(I)c2[O-])C[C@H]1C[NH3+] ZINC001205151641 1322298497 /nfs/dbraw/zinc/29/84/97/1322298497.db2.gz XTUFTGAYMQVYMH-GXSJLCMTSA-N 1 2 346.212 2.023 20 10 EECDLO C[C@H]1C[N@@H+](Cc2cccc(I)c2[O-])C[C@H]1C[NH3+] ZINC001205151641 1322298503 /nfs/dbraw/zinc/29/85/03/1322298503.db2.gz XTUFTGAYMQVYMH-GXSJLCMTSA-N 1 2 346.212 2.023 20 10 EECDLO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589671113 1349017980 /nfs/dbraw/zinc/01/79/80/1349017980.db2.gz USPUOXILDVQMHB-LBPRGKRZSA-N 1 2 341.419 2.276 20 10 EECDLO CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590471853 1349346398 /nfs/dbraw/zinc/34/63/98/1349346398.db2.gz OYTPYHNXBXUTBA-TYNCELHUSA-N 1 2 331.420 2.164 20 10 EECDLO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)cnn1C ZINC001605483507 1351169080 /nfs/dbraw/zinc/16/90/80/1351169080.db2.gz FAPAJKUJLURBIX-UWVGGRQHSA-N 1 2 327.392 2.026 20 10 EECDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@H]1CCNC1=O ZINC000894093214 780514850 /nfs/dbraw/zinc/51/48/50/780514850.db2.gz BWEYHTYGNLVDOX-JTQLQIEISA-N 1 2 333.613 2.128 20 10 EECDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@H]1CCNC1=O ZINC000894093214 780514857 /nfs/dbraw/zinc/51/48/57/780514857.db2.gz BWEYHTYGNLVDOX-JTQLQIEISA-N 1 2 333.613 2.128 20 10 EECDLO Cn1cc([C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]2[NH3+])cn1 ZINC000818431948 785253295 /nfs/dbraw/zinc/25/32/95/785253295.db2.gz XIYFVLGWDWELPL-GXTWGEPZSA-N 1 2 341.242 2.359 20 10 EECDLO Oc1cccc(Br)c1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000706830422 785778053 /nfs/dbraw/zinc/77/80/53/785778053.db2.gz WGCIOALJJWJFSB-RYUDHWBXSA-N 1 2 341.249 2.108 20 10 EECDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707129390 786137515 /nfs/dbraw/zinc/13/75/15/786137515.db2.gz GZARRQVTINCFBO-LBPRGKRZSA-N 1 2 327.222 2.255 20 10 EECDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000707129390 786137517 /nfs/dbraw/zinc/13/75/17/786137517.db2.gz GZARRQVTINCFBO-LBPRGKRZSA-N 1 2 327.222 2.255 20 10 EECDLO Cc1ccc(O)c(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000793603621 810428494 /nfs/dbraw/zinc/42/84/94/810428494.db2.gz JVISCHOQLDTFQI-INIZCTEOSA-N 1 2 349.475 2.341 20 10 EECDLO Cc1ccc(O)c(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000793603621 810428499 /nfs/dbraw/zinc/42/84/99/810428499.db2.gz JVISCHOQLDTFQI-INIZCTEOSA-N 1 2 349.475 2.341 20 10 EECDLO O=C(CC[NH+]1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807835374 812363115 /nfs/dbraw/zinc/36/31/15/812363115.db2.gz WZEFOZFKNYMERH-UHFFFAOYSA-N 1 2 333.215 2.038 20 10 EECDLO CC(=O)c1cc(Cl)cc(CN2CCN(c3[nH+]ccn3C)CC2)c1O ZINC000089926704 462743944 /nfs/dbraw/zinc/74/39/44/462743944.db2.gz HUPSLZHDRQJZSN-UHFFFAOYSA-N 1 2 348.834 2.304 20 10 EECDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(O)c1O ZINC000187017960 464090506 /nfs/dbraw/zinc/09/05/06/464090506.db2.gz AGBMHCQLAVHSCC-UHFFFAOYSA-N 1 2 327.315 2.353 20 10 EECDLO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000179847022 464198718 /nfs/dbraw/zinc/19/87/18/464198718.db2.gz LBWFIUQBJAGXOX-CQSZACIVSA-N 1 2 331.840 2.280 20 10 EECDLO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179847022 464198722 /nfs/dbraw/zinc/19/87/22/464198722.db2.gz LBWFIUQBJAGXOX-CQSZACIVSA-N 1 2 331.840 2.280 20 10 EECDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c1O ZINC000271076362 464279122 /nfs/dbraw/zinc/27/91/22/464279122.db2.gz SAUCYMYSOBSWHF-UHFFFAOYSA-N 1 2 341.411 2.144 20 10 EECDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271196227 464287751 /nfs/dbraw/zinc/28/77/51/464287751.db2.gz SZZOYFDXSJDDKM-UHFFFAOYSA-N 1 2 344.503 2.058 20 10 EECDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1c(F)ccc(O)c1O ZINC000294647052 464562711 /nfs/dbraw/zinc/56/27/11/464562711.db2.gz BGHYLPGUMCFFIB-LBPRGKRZSA-N 1 2 334.347 2.397 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000529666988 467891966 /nfs/dbraw/zinc/89/19/66/467891966.db2.gz PWUOWAHJNBZSDL-CYBMUJFWSA-N 1 2 330.222 2.392 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000529666988 467891968 /nfs/dbraw/zinc/89/19/68/467891968.db2.gz PWUOWAHJNBZSDL-CYBMUJFWSA-N 1 2 330.222 2.392 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc(Br)cc(Cl)c1O ZINC000530228294 467965538 /nfs/dbraw/zinc/96/55/38/467965538.db2.gz ZTAMYEXHPKJPQA-PSASIEDQSA-N 1 2 349.656 2.447 20 10 EECDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773369912 577337069 /nfs/dbraw/zinc/33/70/69/577337069.db2.gz FFYUNBLIFWXRAX-HNNXBMFYSA-N 1 2 348.491 2.224 20 10 EECDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773369912 577337071 /nfs/dbraw/zinc/33/70/71/577337071.db2.gz FFYUNBLIFWXRAX-HNNXBMFYSA-N 1 2 348.491 2.224 20 10 EECDLO COc1cc(C)nc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000775684456 577442795 /nfs/dbraw/zinc/44/27/95/577442795.db2.gz KMRPUROMMMXCCD-UHFFFAOYSA-N 1 2 348.834 2.475 20 10 EECDLO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000777219008 577475174 /nfs/dbraw/zinc/47/51/74/577475174.db2.gz GSMRSUIOCJJODB-ZIAGYGMSSA-N 1 2 333.787 2.095 20 10 EECDLO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)[NH+](C)C)cc1 ZINC000891242361 676231817 /nfs/dbraw/zinc/23/18/17/676231817.db2.gz FQJVNPDAPGZTRA-QYZOEREBSA-N 1 2 345.487 2.287 20 10 EECDLO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000891242370 676231936 /nfs/dbraw/zinc/23/19/36/676231936.db2.gz FRIDTVLKDIUXSJ-WBAXXEDZSA-N 1 2 333.476 2.287 20 10 EECDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NC[C@@H]1CCCO1 ZINC000096970927 676581964 /nfs/dbraw/zinc/58/19/64/676581964.db2.gz JCJBFBMGGMNITK-INIZCTEOSA-N 1 2 344.411 2.283 20 10 EECDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NC[C@@H]1CCCO1 ZINC000096970927 676581966 /nfs/dbraw/zinc/58/19/66/676581966.db2.gz JCJBFBMGGMNITK-INIZCTEOSA-N 1 2 344.411 2.283 20 10 EECDLO CN(C)c1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1F ZINC000894208389 681242406 /nfs/dbraw/zinc/24/24/06/681242406.db2.gz HKKMWBIQDQUIFW-UHFFFAOYSA-N 1 2 342.216 2.073 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C1CCOCC1 ZINC000894540138 682961717 /nfs/dbraw/zinc/96/17/17/682961717.db2.gz DBVIUWWAGGHTMF-INIZCTEOSA-N 1 2 337.416 2.157 20 10 EECDLO CCCCN1C(=O)COCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001272629307 1190939810 /nfs/dbraw/zinc/93/98/10/1190939810.db2.gz NBNJPPPZRQREOB-UHFFFAOYSA-N 1 2 338.835 2.259 20 10 EECDLO O=C1N(CC(F)F)CC[C@]12CCC[N@H+]2Cc1cccc(F)c1O ZINC001273304597 1198003771 /nfs/dbraw/zinc/00/37/71/1198003771.db2.gz OMRJYHNSUUPVPY-MRXNPFEDSA-N 1 2 328.334 2.363 20 10 EECDLO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+]2Cc1cccc(F)c1O ZINC001273304597 1198003780 /nfs/dbraw/zinc/00/37/80/1198003780.db2.gz OMRJYHNSUUPVPY-MRXNPFEDSA-N 1 2 328.334 2.363 20 10 EECDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1C1CCOCC1 ZINC000877672344 1200019771 /nfs/dbraw/zinc/01/97/71/1200019771.db2.gz CFUJCOJDMLFHKF-CQSZACIVSA-N 1 2 342.798 2.054 20 10 EECDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879464053 1201081132 /nfs/dbraw/zinc/08/11/32/1201081132.db2.gz ZRSMZQMWKABQAA-LSDHHAIUSA-N 1 2 349.475 2.129 20 10 EECDLO CN(C)c1ccc(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c(Cl)c1 ZINC001276155803 1205803770 /nfs/dbraw/zinc/80/37/70/1205803770.db2.gz JYKLDOXLZSZVJF-UHFFFAOYSA-N 1 2 345.878 2.447 20 10 EECDLO CN(C)c1ccc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c(Cl)c1 ZINC001276155803 1205803771 /nfs/dbraw/zinc/80/37/71/1205803771.db2.gz JYKLDOXLZSZVJF-UHFFFAOYSA-N 1 2 345.878 2.447 20 10 EECDLO Cc1noc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000851717937 1277726101 /nfs/dbraw/zinc/72/61/01/1277726101.db2.gz RLRLAHKRTVIHRC-UHFFFAOYSA-N 1 2 346.387 2.360 20 10 EECDLO Cc1noc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000851717937 1277726109 /nfs/dbraw/zinc/72/61/09/1277726109.db2.gz RLRLAHKRTVIHRC-UHFFFAOYSA-N 1 2 346.387 2.360 20 10 EECDLO COc1cc(C[NH+]2CC(N(C)C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635064 1303872380 /nfs/dbraw/zinc/87/23/80/1303872380.db2.gz VAUMFGRDZQQWGE-UHFFFAOYSA-N 1 2 338.404 2.158 20 10 EECDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)[nH]1 ZINC001232078960 1303992700 /nfs/dbraw/zinc/99/27/00/1303992700.db2.gz JTWQCAJVMVMNSG-UHFFFAOYSA-N 1 2 343.427 2.441 20 10 EECDLO O=S(=O)(Nc1cccc2c1C[NH2+]C2)c1cccc2nsnc21 ZINC001237705963 1306060866 /nfs/dbraw/zinc/06/08/66/1306060866.db2.gz NRZVIELZZCEVAA-UHFFFAOYSA-N 1 2 332.410 2.095 20 10 EECDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1c(N)ccnc1F ZINC001238156871 1306254430 /nfs/dbraw/zinc/25/44/30/1306254430.db2.gz RFIFENOAQXKDSP-UHFFFAOYSA-N 1 2 330.407 2.272 20 10 EECDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1c(N)ccnc1F ZINC001238156871 1306254439 /nfs/dbraw/zinc/25/44/39/1306254439.db2.gz RFIFENOAQXKDSP-UHFFFAOYSA-N 1 2 330.407 2.272 20 10 EECDLO CC(=O)N1CCC([N@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139128869 1314708225 /nfs/dbraw/zinc/70/82/25/1314708225.db2.gz HGVGXPZQXNUNGW-UHFFFAOYSA-N 1 2 344.411 2.250 20 10 EECDLO CC(=O)N1CCC([N@@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139128869 1314708229 /nfs/dbraw/zinc/70/82/29/1314708229.db2.gz HGVGXPZQXNUNGW-UHFFFAOYSA-N 1 2 344.411 2.250 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001139127507 1314708257 /nfs/dbraw/zinc/70/82/57/1314708257.db2.gz XGNFRAXEWVDDAU-SFHVURJKSA-N 1 2 335.375 2.494 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001139127507 1314708261 /nfs/dbraw/zinc/70/82/61/1314708261.db2.gz XGNFRAXEWVDDAU-SFHVURJKSA-N 1 2 335.375 2.494 20 10 EECDLO COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)C[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140178377 1314827915 /nfs/dbraw/zinc/82/79/15/1314827915.db2.gz JXNIVCBBJLLSNX-SWLSCSKDSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)C[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140178377 1314827921 /nfs/dbraw/zinc/82/79/21/1314827921.db2.gz JXNIVCBBJLLSNX-SWLSCSKDSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)[C@H]1C[C@](O)(C(F)(F)F)C[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140178376 1314828083 /nfs/dbraw/zinc/82/80/83/1314828083.db2.gz JXNIVCBBJLLSNX-IUODEOHRSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)[C@H]1C[C@](O)(C(F)(F)F)C[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140178376 1314828088 /nfs/dbraw/zinc/82/80/88/1314828088.db2.gz JXNIVCBBJLLSNX-IUODEOHRSA-N 1 2 347.333 2.050 20 10 EECDLO Oc1cc(-c2[nH]c3ccc(N4CCOCC4)cc3[nH+]2)cc(O)c1O ZINC001251248323 1317439926 /nfs/dbraw/zinc/43/99/26/1317439926.db2.gz KZMOWEMXDSODCV-UHFFFAOYSA-N 1 2 327.340 2.183 20 10 EECDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC001260440718 1319889714 /nfs/dbraw/zinc/88/97/14/1319889714.db2.gz HFKAKZNRFUKBLY-UHFFFAOYSA-N 1 2 332.385 2.085 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)cc1 ZINC001203934295 1321994421 /nfs/dbraw/zinc/99/44/21/1321994421.db2.gz PDYSYTWJTHLNRN-QGZVFWFLSA-N 1 2 349.475 2.166 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)cc1 ZINC001203934295 1321994426 /nfs/dbraw/zinc/99/44/26/1321994426.db2.gz PDYSYTWJTHLNRN-QGZVFWFLSA-N 1 2 349.475 2.166 20 10 EECDLO C[NH+](C)CCN1CC2(C1)CN(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001276498231 1323633083 /nfs/dbraw/zinc/63/30/83/1323633083.db2.gz SWZVBPIAQBJMOR-UHFFFAOYSA-N 1 2 343.393 2.090 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1cccc(-c2nn[nH]n2)c1O ZINC001604053317 1350840525 /nfs/dbraw/zinc/84/05/25/1350840525.db2.gz BKSCLFCIEQETNZ-TUKIKUTGSA-N 1 2 331.420 2.428 20 10 EECDLO CC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604052578 1350840559 /nfs/dbraw/zinc/84/05/59/1350840559.db2.gz CGJHFZOHDNFXCK-JMSVASOKSA-N 1 2 331.420 2.164 20 10 EECDLO Cc1cc(C[N@H+](C)CCNC(=O)c2ccc(N=NC(N)=O)cc2)on1 ZINC001753075497 1406665626 /nfs/dbraw/zinc/66/56/26/1406665626.db2.gz ZYDHTLYLOUPVJR-UHFFFAOYSA-N 1 2 344.375 2.007 20 10 EECDLO Cc1cc(C[N@@H+](C)CCNC(=O)c2ccc(N=NC(N)=O)cc2)on1 ZINC001753075497 1406665633 /nfs/dbraw/zinc/66/56/33/1406665633.db2.gz ZYDHTLYLOUPVJR-UHFFFAOYSA-N 1 2 344.375 2.007 20 10 EECDLO C[C@H](O)CNc1cc(NCCCSc2nccs2)[nH+]cn1 ZINC000840260077 782463552 /nfs/dbraw/zinc/46/35/52/782463552.db2.gz HQVDSXVPHQLKHU-JTQLQIEISA-N 1 2 325.463 2.320 20 10 EECDLO C[C@H](O)CNc1cc(NCCCSc2nccs2)nc[nH+]1 ZINC000840260077 782463558 /nfs/dbraw/zinc/46/35/58/782463558.db2.gz HQVDSXVPHQLKHU-JTQLQIEISA-N 1 2 325.463 2.320 20 10 EECDLO CC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1cccc(Cl)c1O ZINC000840825109 783020002 /nfs/dbraw/zinc/02/00/02/783020002.db2.gz SJZWSOSSTGQQAM-CYBMUJFWSA-N 1 2 326.824 2.382 20 10 EECDLO COc1cc(C)cc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1O ZINC000893870786 780259629 /nfs/dbraw/zinc/25/96/29/780259629.db2.gz BVYXAJQUVAJJEQ-UHFFFAOYSA-N 1 2 330.384 2.260 20 10 EECDLO COCc1noc([C@@H](C)[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844402141 789068523 /nfs/dbraw/zinc/06/85/23/789068523.db2.gz VMPJAEYAHQDOGD-CYBMUJFWSA-N 1 2 334.420 2.354 20 10 EECDLO COCc1noc([C@@H](C)[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844402141 789068529 /nfs/dbraw/zinc/06/85/29/789068529.db2.gz VMPJAEYAHQDOGD-CYBMUJFWSA-N 1 2 334.420 2.354 20 10 EECDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c(F)ccc(O)c1O ZINC000789997195 808325315 /nfs/dbraw/zinc/32/53/15/808325315.db2.gz BEQHJSWEIOGEGX-UHFFFAOYSA-N 1 2 327.315 2.353 20 10 EECDLO CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c1O ZINC000092675434 237040570 /nfs/dbraw/zinc/04/05/70/237040570.db2.gz UCHCEPCFNNIKBL-QGZVFWFLSA-N 1 2 326.396 2.464 20 10 EECDLO CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c1O ZINC000092675434 237040577 /nfs/dbraw/zinc/04/05/77/237040577.db2.gz UCHCEPCFNNIKBL-QGZVFWFLSA-N 1 2 326.396 2.464 20 10 EECDLO O=C(/C=C/c1cccnc1)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000120081343 462960376 /nfs/dbraw/zinc/96/03/76/462960376.db2.gz PFSFQCDLEDZDRW-CMDGGOBGSA-N 1 2 337.423 2.460 20 10 EECDLO Cc1ncc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000053144755 463135266 /nfs/dbraw/zinc/13/52/66/463135266.db2.gz WNBPTDHJTLDPQO-UHFFFAOYSA-N 1 2 332.473 2.266 20 10 EECDLO Cc1ncc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000053144755 463135270 /nfs/dbraw/zinc/13/52/70/463135270.db2.gz WNBPTDHJTLDPQO-UHFFFAOYSA-N 1 2 332.473 2.266 20 10 EECDLO CN(C)c1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000054401347 463234081 /nfs/dbraw/zinc/23/40/81/463234081.db2.gz WWXKOAGIZNKMQL-UHFFFAOYSA-N 1 2 339.443 2.179 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000283376237 463862963 /nfs/dbraw/zinc/86/29/63/463862963.db2.gz RGDIIKJSTYJQAF-UHFFFAOYSA-N 1 2 333.476 2.260 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000187548811 464139425 /nfs/dbraw/zinc/13/94/25/464139425.db2.gz KVPVIVAYTHBBLT-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000187548811 464139429 /nfs/dbraw/zinc/13/94/29/464139429.db2.gz KVPVIVAYTHBBLT-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000291208355 464148855 /nfs/dbraw/zinc/14/88/55/464148855.db2.gz KMLONFACBZZJJT-CQSZACIVSA-N 1 2 327.808 2.486 20 10 EECDLO COCC[C@@H]1COCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000291208355 464148859 /nfs/dbraw/zinc/14/88/59/464148859.db2.gz KMLONFACBZZJJT-CQSZACIVSA-N 1 2 327.808 2.486 20 10 EECDLO Cn1cc[nH+]c1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264104560 464284022 /nfs/dbraw/zinc/28/40/22/464284022.db2.gz FYVUVRRQODIADT-HNNXBMFYSA-N 1 2 344.415 2.017 20 10 EECDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1O ZINC000273376010 464714002 /nfs/dbraw/zinc/71/40/02/464714002.db2.gz HGKCAFSLWKRVQP-NSHDSACASA-N 1 2 331.376 2.469 20 10 EECDLO O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000368017891 466568395 /nfs/dbraw/zinc/56/83/95/466568395.db2.gz KMKLNARFLKCJRB-FNORWQNLSA-N 1 2 327.384 2.003 20 10 EECDLO CCCCS(=O)(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726600618 576279062 /nfs/dbraw/zinc/27/90/62/576279062.db2.gz CHBKRJDRTYGUDT-UHFFFAOYSA-N 1 2 326.462 2.384 20 10 EECDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1=CC(=O)CS1 ZINC000731865725 577128442 /nfs/dbraw/zinc/12/84/42/577128442.db2.gz FAMVFFDJOXRLNA-HNNXBMFYSA-N 1 2 332.425 2.085 20 10 EECDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1=CC(=O)CS1 ZINC000731865725 577128446 /nfs/dbraw/zinc/12/84/46/577128446.db2.gz FAMVFFDJOXRLNA-HNNXBMFYSA-N 1 2 332.425 2.085 20 10 EECDLO COC(=O)CCCc1nc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)no1 ZINC000775373385 577436164 /nfs/dbraw/zinc/43/61/64/577436164.db2.gz QSISCWJHLHNVLF-NSHDSACASA-N 1 2 349.387 2.130 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)N[C@H](C(C)C)C3=O)CC2)cc1 ZINC000777633570 577483647 /nfs/dbraw/zinc/48/36/47/577483647.db2.gz BMJSICFFPQRPQV-MRXNPFEDSA-N 1 2 331.416 2.240 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)[C@@H]4CCCCN4C3=O)CC2)cc1 ZINC000777634643 577483687 /nfs/dbraw/zinc/48/36/87/577483687.db2.gz SOFCKUSGWXJEAB-KRWDZBQOSA-N 1 2 343.427 2.481 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000761115559 577676963 /nfs/dbraw/zinc/67/69/63/577676963.db2.gz UDQPEBDDUXFPNN-CQSZACIVSA-N 1 2 336.819 2.445 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000761115559 577676964 /nfs/dbraw/zinc/67/69/64/577676964.db2.gz UDQPEBDDUXFPNN-CQSZACIVSA-N 1 2 336.819 2.445 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)[C@H]4CCCN4C3=O)CC2)cc1 ZINC000761224208 577679615 /nfs/dbraw/zinc/67/96/15/577679615.db2.gz VGEKFKRPLXHEQS-MRXNPFEDSA-N 1 2 329.400 2.091 20 10 EECDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1=CC(=O)CS1 ZINC000743505025 577886504 /nfs/dbraw/zinc/88/65/04/577886504.db2.gz PRJZYUNLGBGQOA-AWEZNQCLSA-N 1 2 345.468 2.394 20 10 EECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000749396946 577975699 /nfs/dbraw/zinc/97/56/99/577975699.db2.gz JLUXOBLZEIDRDN-UHFFFAOYSA-N 1 2 339.355 2.230 20 10 EECDLO COC1(CO)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894578966 682974558 /nfs/dbraw/zinc/97/45/58/682974558.db2.gz YWELRMCEXOQLDX-UHFFFAOYSA-N 1 2 348.212 2.267 20 10 EECDLO CC(C)(C)OC(=O)N1CC(O)(C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000895207448 684292450 /nfs/dbraw/zinc/29/24/50/684292450.db2.gz MVKRKEWUIWLAJE-UHFFFAOYSA-N 1 2 342.823 2.117 20 10 EECDLO O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272903125 1193598358 /nfs/dbraw/zinc/59/83/58/1193598358.db2.gz NIHZQXIRCMXEHF-HNNXBMFYSA-N 1 2 344.333 2.227 20 10 EECDLO O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903125 1193598360 /nfs/dbraw/zinc/59/83/60/1193598360.db2.gz NIHZQXIRCMXEHF-HNNXBMFYSA-N 1 2 344.333 2.227 20 10 EECDLO Cn1cc(Cl)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877565311 1199966816 /nfs/dbraw/zinc/96/68/16/1199966816.db2.gz WZGLVGWMJRSSMQ-UHFFFAOYSA-N 1 2 334.851 2.324 20 10 EECDLO Cc1cc(Cn2cc(C[N@H+](C)CCO)nn2)ccc1N1CCCCC1 ZINC000881382463 1201689645 /nfs/dbraw/zinc/68/96/45/1201689645.db2.gz MOSCBOONIHVURF-UHFFFAOYSA-N 1 2 343.475 2.049 20 10 EECDLO Cc1cc(Cn2cc(C[N@@H+](C)CCO)nn2)ccc1N1CCCCC1 ZINC000881382463 1201689646 /nfs/dbraw/zinc/68/96/46/1201689646.db2.gz MOSCBOONIHVURF-UHFFFAOYSA-N 1 2 343.475 2.049 20 10 EECDLO CC(C)=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836202 1205179840 /nfs/dbraw/zinc/17/98/40/1205179840.db2.gz FJSUCFMGWWLMRL-IBGZPJMESA-N 1 2 346.427 2.337 20 10 EECDLO CC(C)=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836202 1205179842 /nfs/dbraw/zinc/17/98/42/1205179842.db2.gz FJSUCFMGWWLMRL-IBGZPJMESA-N 1 2 346.427 2.337 20 10 EECDLO Cc1cc(CN2CCC23C[NH+](Cc2c(O)cccc2F)C3)n(C)n1 ZINC001276360425 1214537733 /nfs/dbraw/zinc/53/77/33/1214537733.db2.gz TZUHGIAZDOIIFA-UHFFFAOYSA-N 1 2 330.407 2.034 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@@H](C(N)=O)C1 ZINC000862332491 1295796250 /nfs/dbraw/zinc/79/62/50/1295796250.db2.gz ISRYWAAHZHXBQJ-BXKDBHETSA-N 1 2 327.222 2.241 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@@H](C(N)=O)C1 ZINC000862332491 1295796255 /nfs/dbraw/zinc/79/62/55/1295796255.db2.gz ISRYWAAHZHXBQJ-BXKDBHETSA-N 1 2 327.222 2.241 20 10 EECDLO CCN1CCC[N@H+](Cc2c(O)cccc2Br)CC1=O ZINC000862338292 1295797547 /nfs/dbraw/zinc/79/75/47/1295797547.db2.gz OLGANBZNRZSCJQ-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO CCN1CCC[N@@H+](Cc2c(O)cccc2Br)CC1=O ZINC000862338292 1295797554 /nfs/dbraw/zinc/79/75/54/1295797554.db2.gz OLGANBZNRZSCJQ-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[NH2+]CC3(F)F)ccc21 ZINC001218238349 1297612094 /nfs/dbraw/zinc/61/20/94/1297612094.db2.gz KSMJWPJIEIUSRS-OAHLLOKOSA-N 1 2 329.302 2.448 20 10 EECDLO Oc1c(CN2C[C@@H]3C[N@@H+](C4CCCC4)C[C@H](C2)O3)ccc(F)c1F ZINC001276856652 1299953981 /nfs/dbraw/zinc/95/39/81/1299953981.db2.gz FRCYHINAGPRFBK-GASCZTMLSA-N 1 2 338.398 2.498 20 10 EECDLO CCN(C(=O)[C@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1)C(C)C ZINC001277440820 1303027243 /nfs/dbraw/zinc/02/72/43/1303027243.db2.gz FSPDAPLKPTVPEI-QGZVFWFLSA-N 1 2 332.444 2.383 20 10 EECDLO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277456824 1303222564 /nfs/dbraw/zinc/22/25/64/1303222564.db2.gz CRMBUXRGNQMXEX-MEDUHNTESA-N 1 2 332.791 2.372 20 10 EECDLO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001277456824 1303222567 /nfs/dbraw/zinc/22/25/67/1303222567.db2.gz CRMBUXRGNQMXEX-MEDUHNTESA-N 1 2 332.791 2.372 20 10 EECDLO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(C)c21 ZINC001231852448 1303930612 /nfs/dbraw/zinc/93/06/12/1303930612.db2.gz KWBRECDUFCYHFX-OAHLLOKOSA-N 1 2 344.459 2.241 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(C)c21 ZINC001231852448 1303930615 /nfs/dbraw/zinc/93/06/15/1303930615.db2.gz KWBRECDUFCYHFX-OAHLLOKOSA-N 1 2 344.459 2.241 20 10 EECDLO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)CC[C@H]21 ZINC001231909514 1303943837 /nfs/dbraw/zinc/94/38/37/1303943837.db2.gz BJROZNKKHLRUDN-HZPDHXFCSA-N 1 2 338.835 2.257 20 10 EECDLO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)CC[C@H]21 ZINC001231909514 1303943844 /nfs/dbraw/zinc/94/38/44/1303943844.db2.gz BJROZNKKHLRUDN-HZPDHXFCSA-N 1 2 338.835 2.257 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)c(O)c1 ZINC001232834785 1304265007 /nfs/dbraw/zinc/26/50/07/1304265007.db2.gz MRNKMYMYPJEQFH-KGLIPLIRSA-N 1 2 336.329 2.295 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)c(O)c1 ZINC001232834785 1304265013 /nfs/dbraw/zinc/26/50/13/1304265013.db2.gz MRNKMYMYPJEQFH-KGLIPLIRSA-N 1 2 336.329 2.295 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2)c(O)c1 ZINC001232839322 1304267254 /nfs/dbraw/zinc/26/72/54/1304267254.db2.gz GCNJOOFJMSEAOJ-UHFFFAOYSA-N 1 2 339.439 2.303 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCN(Cc3ccccc3)C(=O)C2)c(O)c1 ZINC001232839322 1304267260 /nfs/dbraw/zinc/26/72/60/1304267260.db2.gz GCNJOOFJMSEAOJ-UHFFFAOYSA-N 1 2 339.439 2.303 20 10 EECDLO COc1cc(O)c(C[NH+]2CC3(CC(O)C3)C2)cc1Br ZINC001233134771 1304372555 /nfs/dbraw/zinc/37/25/55/1304372555.db2.gz DGNXMAPGNKLDCU-UHFFFAOYSA-N 1 2 328.206 2.120 20 10 EECDLO CN(C)C(=O)CC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001235068920 1305104775 /nfs/dbraw/zinc/10/47/75/1305104775.db2.gz NGVNZUKINVVBMH-UHFFFAOYSA-N 1 2 333.201 2.204 20 10 EECDLO CN(C)C(=O)CC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001235068920 1305104779 /nfs/dbraw/zinc/10/47/79/1305104779.db2.gz NGVNZUKINVVBMH-UHFFFAOYSA-N 1 2 333.201 2.204 20 10 EECDLO COc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc(OC)n1 ZINC001237561432 1305981860 /nfs/dbraw/zinc/98/18/60/1305981860.db2.gz VIUDVYXAXJABFN-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO COc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc(OC)n1 ZINC001237561432 1305981865 /nfs/dbraw/zinc/98/18/65/1305981865.db2.gz VIUDVYXAXJABFN-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO CO[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001138130653 1314551028 /nfs/dbraw/zinc/55/10/28/1314551028.db2.gz FGNURIRXRKXQNW-UONOGXRCSA-N 1 2 340.395 2.255 20 10 EECDLO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001138130653 1314551032 /nfs/dbraw/zinc/55/10/32/1314551032.db2.gz FGNURIRXRKXQNW-UONOGXRCSA-N 1 2 340.395 2.255 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001139125676 1314707719 /nfs/dbraw/zinc/70/77/19/1314707719.db2.gz ZVNZDRJYNSCYRH-UHFFFAOYSA-N 1 2 343.379 2.131 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCc2nn(C)cc2C1 ZINC001139127024 1314708168 /nfs/dbraw/zinc/70/81/68/1314708168.db2.gz BNRKIYZIBMITKE-UHFFFAOYSA-N 1 2 325.368 2.099 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCc2nn(C)cc2C1 ZINC001139127024 1314708171 /nfs/dbraw/zinc/70/81/71/1314708171.db2.gz BNRKIYZIBMITKE-UHFFFAOYSA-N 1 2 325.368 2.099 20 10 EECDLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140465335 1314892884 /nfs/dbraw/zinc/89/28/84/1314892884.db2.gz OIPXOOPEGDOAMY-QGZVFWFLSA-N 1 2 338.835 2.259 20 10 EECDLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140465335 1314892888 /nfs/dbraw/zinc/89/28/88/1314892888.db2.gz OIPXOOPEGDOAMY-QGZVFWFLSA-N 1 2 338.835 2.259 20 10 EECDLO Nc1ccc(CCNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000841957789 1315644195 /nfs/dbraw/zinc/64/41/95/1315644195.db2.gz VGWRIHLYWJAACD-UHFFFAOYSA-N 1 2 327.432 2.398 20 10 EECDLO COc1ccccc1N1CC[NH+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204341824 1322117205 /nfs/dbraw/zinc/11/72/05/1322117205.db2.gz GVYOKLFLYXAYKZ-UHFFFAOYSA-N 1 2 344.411 2.437 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)c(O)c(OC)c2)Cc2ccccc21 ZINC001204348401 1322122801 /nfs/dbraw/zinc/12/28/01/1322122801.db2.gz DQFPESXGKVAQSZ-OAHLLOKOSA-N 1 2 343.379 2.379 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(OC)c2)Cc2ccccc21 ZINC001204348401 1322122805 /nfs/dbraw/zinc/12/28/05/1322122805.db2.gz DQFPESXGKVAQSZ-OAHLLOKOSA-N 1 2 343.379 2.379 20 10 EECDLO [NH3+][C@H]1CN(Cc2cc(Br)cc(F)c2O)CCC1(F)F ZINC001206685047 1323559846 /nfs/dbraw/zinc/55/98/46/1323559846.db2.gz WQSAHXPOIPDZQV-JTQLQIEISA-N 1 2 339.155 2.462 20 10 EECDLO Cc1nnsc1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324075218 1333602720 /nfs/dbraw/zinc/60/27/20/1333602720.db2.gz GCNRZLXRRASKGB-UHFFFAOYSA-N 1 2 335.452 2.027 20 10 EECDLO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590241428 1349219384 /nfs/dbraw/zinc/21/93/84/1349219384.db2.gz WFLLCYFURNQJCD-VMBJYNEYSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603845477 1350781294 /nfs/dbraw/zinc/78/12/94/1350781294.db2.gz DIWPEPPISVBZDI-AGIUHOORSA-N 1 2 331.420 2.428 20 10 EECDLO CC(C)=CCN1CC2(C[NH+](Cc3cccc(C)c3O)C2)OCC1=O ZINC001273768966 1368633201 /nfs/dbraw/zinc/63/32/01/1368633201.db2.gz CCLQFVAHFOSSBD-UHFFFAOYSA-N 1 2 330.428 2.080 20 10 EECDLO CC(=O)N1CC[N@H+](Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862246965 1369525939 /nfs/dbraw/zinc/52/59/39/1369525939.db2.gz PVZGNLONNRFZNN-JTQLQIEISA-N 1 2 327.222 2.207 20 10 EECDLO CC(=O)N1CC[N@@H+](Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862246965 1369525941 /nfs/dbraw/zinc/52/59/41/1369525941.db2.gz PVZGNLONNRFZNN-JTQLQIEISA-N 1 2 327.222 2.207 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862391116 1369533226 /nfs/dbraw/zinc/53/32/26/1369533226.db2.gz JHOGHPWKDYXFTL-CYBMUJFWSA-N 1 2 340.418 2.266 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862391116 1369533229 /nfs/dbraw/zinc/53/32/29/1369533229.db2.gz JHOGHPWKDYXFTL-CYBMUJFWSA-N 1 2 340.418 2.266 20 10 EECDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(N(C)C)cc3)[nH+]cn2)C1 ZINC000840238982 782449825 /nfs/dbraw/zinc/44/98/25/782449825.db2.gz LEVJNWBUQWHEPL-ZBFHGGJFSA-N 1 2 341.459 2.362 20 10 EECDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(N(C)C)cc3)nc[nH+]2)C1 ZINC000840238982 782449832 /nfs/dbraw/zinc/44/98/32/782449832.db2.gz LEVJNWBUQWHEPL-ZBFHGGJFSA-N 1 2 341.459 2.362 20 10 EECDLO CO[C@H](C)C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089810137 776037198 /nfs/dbraw/zinc/03/71/98/776037198.db2.gz HYHGBCYNUXISLL-CQSZACIVSA-N 1 2 332.448 2.080 20 10 EECDLO Cc1[nH+]c[nH]c1CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089838270 777531858 /nfs/dbraw/zinc/53/18/58/777531858.db2.gz NHSGBABYABBKRO-UHFFFAOYSA-N 1 2 343.406 2.138 20 10 EECDLO CC[C@@H]1C[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](CC)O1 ZINC000817281478 784623791 /nfs/dbraw/zinc/62/37/91/784623791.db2.gz WMLOCWAXRCDROP-QZTJIDSGSA-N 1 2 333.476 2.258 20 10 EECDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824959897 788373461 /nfs/dbraw/zinc/37/34/61/788373461.db2.gz OPGREBCLTFMOPL-OAHLLOKOSA-N 1 2 332.404 2.035 20 10 EECDLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824959897 788373469 /nfs/dbraw/zinc/37/34/69/788373469.db2.gz OPGREBCLTFMOPL-OAHLLOKOSA-N 1 2 332.404 2.035 20 10 EECDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298948 789517009 /nfs/dbraw/zinc/51/70/09/789517009.db2.gz MNJRKQDPOWDDJG-MRVPVSSYSA-N 1 2 332.169 2.289 20 10 EECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298948 789517019 /nfs/dbraw/zinc/51/70/19/789517019.db2.gz MNJRKQDPOWDDJG-MRVPVSSYSA-N 1 2 332.169 2.289 20 10 EECDLO CCN1C(=O)/C(=C/c2ccc(N(C)CCOC)[nH+]c2)SC1=S ZINC000276743368 463740463 /nfs/dbraw/zinc/74/04/63/463740463.db2.gz WPYBZYZOZWAVRF-XFXZXTDPSA-N 1 2 337.470 2.385 20 10 EECDLO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000294994586 464673851 /nfs/dbraw/zinc/67/38/51/464673851.db2.gz HXZHANCWYSQLPY-SNVBAGLBSA-N 1 2 341.260 2.116 20 10 EECDLO CC[N@H+](Cc1ncnn1C)Cc1cc(Br)ccc1O ZINC000177358463 464994289 /nfs/dbraw/zinc/99/42/89/464994289.db2.gz IDBUCFOBIZHVIG-UHFFFAOYSA-N 1 2 325.210 2.305 20 10 EECDLO CC[N@@H+](Cc1ncnn1C)Cc1cc(Br)ccc1O ZINC000177358463 464994295 /nfs/dbraw/zinc/99/42/95/464994295.db2.gz IDBUCFOBIZHVIG-UHFFFAOYSA-N 1 2 325.210 2.305 20 10 EECDLO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366743872 465911576 /nfs/dbraw/zinc/91/15/76/465911576.db2.gz KJLHEGAHUIQECX-CYBMUJFWSA-N 1 2 326.400 2.321 20 10 EECDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cccc(Br)c1O)C2 ZINC000775994255 577450205 /nfs/dbraw/zinc/45/02/05/577450205.db2.gz GAAGIJGCQHUTDN-UHFFFAOYSA-N 1 2 336.189 2.209 20 10 EECDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cccc(Br)c1O)C2 ZINC000775994255 577450206 /nfs/dbraw/zinc/45/02/06/577450206.db2.gz GAAGIJGCQHUTDN-UHFFFAOYSA-N 1 2 336.189 2.209 20 10 EECDLO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756592916 577847309 /nfs/dbraw/zinc/84/73/09/577847309.db2.gz JKHUKIKXCFGWAP-WCBMZHEXSA-N 1 2 336.201 2.342 20 10 EECDLO CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1cccc(Cl)c1O ZINC000866439877 1201518507 /nfs/dbraw/zinc/51/85/07/1201518507.db2.gz KJRLKZXAWHZLRU-KWBADKCTSA-N 1 2 342.823 2.153 20 10 EECDLO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4nc[nH]c43)cc2)CC1 ZINC000881851348 1201774404 /nfs/dbraw/zinc/77/44/04/1201774404.db2.gz RZPFTQMISXNTAR-UHFFFAOYSA-N 1 2 349.438 2.245 20 10 EECDLO CSC[C@@H](CCO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883016728 1201997120 /nfs/dbraw/zinc/99/71/20/1201997120.db2.gz JPKSNPKOXFKJBH-SNVBAGLBSA-N 1 2 338.242 2.497 20 10 EECDLO Oc1c(CN2CC[NH2+]CC(F)(F)C2)cc2c3c1CCCN3CCC2 ZINC001211341897 1295831396 /nfs/dbraw/zinc/83/13/96/1295831396.db2.gz OMGCIAVQZBOWJO-UHFFFAOYSA-N 1 2 337.414 2.132 20 10 EECDLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217730766 1297500685 /nfs/dbraw/zinc/50/06/85/1297500685.db2.gz YUPBYWNQXBZYKI-ABAIWWIYSA-N 1 2 326.356 2.479 20 10 EECDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)c(O)c1 ZINC001276832748 1299816447 /nfs/dbraw/zinc/81/64/47/1299816447.db2.gz BDUFBDYHWHYFJP-BETUJISGSA-N 1 2 347.440 2.027 20 10 EECDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)c(O)c1 ZINC001276832748 1299816458 /nfs/dbraw/zinc/81/64/58/1299816458.db2.gz BDUFBDYHWHYFJP-BETUJISGSA-N 1 2 347.440 2.027 20 10 EECDLO CCN(C(=O)[C@H]1CCC2(C[NH+](Cc3ccc(O)cc3O)C2)O1)C(C)C ZINC001277192832 1301746637 /nfs/dbraw/zinc/74/66/37/1301746637.db2.gz VPEGREYUKDMKSF-QGZVFWFLSA-N 1 2 348.443 2.088 20 10 EECDLO CC(C)(C)NC(=O)c1n[nH]c2c1CC[N@H+](Cc1ccccc1O)C2 ZINC001277442263 1303035627 /nfs/dbraw/zinc/03/56/27/1303035627.db2.gz VKFFZGYMRLJGSR-UHFFFAOYSA-N 1 2 328.416 2.202 20 10 EECDLO CC(C)(C)NC(=O)c1n[nH]c2c1CC[N@@H+](Cc1ccccc1O)C2 ZINC001277442263 1303035634 /nfs/dbraw/zinc/03/56/34/1303035634.db2.gz VKFFZGYMRLJGSR-UHFFFAOYSA-N 1 2 328.416 2.202 20 10 EECDLO O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277493457 1303669811 /nfs/dbraw/zinc/66/98/11/1303669811.db2.gz TYMSHNSNHGCXEU-ORAYPTAESA-N 1 2 348.393 2.456 20 10 EECDLO O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277493457 1303669813 /nfs/dbraw/zinc/66/98/13/1303669813.db2.gz TYMSHNSNHGCXEU-ORAYPTAESA-N 1 2 348.393 2.456 20 10 EECDLO Oc1c(Cl)cccc1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001231910919 1303943811 /nfs/dbraw/zinc/94/38/11/1303943811.db2.gz ZJHUTKOXNVCHOS-ZIAGYGMSSA-N 1 2 330.819 2.404 20 10 EECDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236800106 1305680897 /nfs/dbraw/zinc/68/08/97/1305680897.db2.gz TZZUUPWQTQBUCJ-UHFFFAOYSA-N 1 2 342.182 2.459 20 10 EECDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236800106 1305680901 /nfs/dbraw/zinc/68/09/01/1305680901.db2.gz TZZUUPWQTQBUCJ-UHFFFAOYSA-N 1 2 342.182 2.459 20 10 EECDLO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3c(O)cc(F)cc3F)C[C@H]2C1 ZINC001140581566 1314909493 /nfs/dbraw/zinc/90/94/93/1314909493.db2.gz ZEPDWQQJGKVXDG-RYUDHWBXSA-N 1 2 348.349 2.467 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccc(C)nc3N)CC2)c(OC)c1 ZINC001143206768 1315889851 /nfs/dbraw/zinc/88/98/51/1315889851.db2.gz JLBNDMPPFZFIDD-UHFFFAOYSA-N 1 2 342.443 2.312 20 10 EECDLO CN(C1C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1)[C@H]1CCOC1 ZINC001249252635 1317036567 /nfs/dbraw/zinc/03/65/67/1317036567.db2.gz OBUXOKSKBGBBLK-HNNXBMFYSA-N 1 2 344.455 2.481 20 10 EECDLO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001603671134 1350738979 /nfs/dbraw/zinc/73/89/79/1350738979.db2.gz YRXFJIMCUGVTNI-LBPRGKRZSA-N 1 2 338.415 2.489 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN(c3cnccn3)[C@H](C)C2)c1O ZINC001308172086 1331569855 /nfs/dbraw/zinc/56/98/55/1331569855.db2.gz CFCMJUOICVVUOF-GFCCVEGCSA-N 1 2 344.390 2.235 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN(c3cnccn3)[C@H](C)C2)c1O ZINC001308172086 1331569856 /nfs/dbraw/zinc/56/98/56/1331569856.db2.gz CFCMJUOICVVUOF-GFCCVEGCSA-N 1 2 344.390 2.235 20 10 EECDLO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589551610 1349003710 /nfs/dbraw/zinc/00/37/10/1349003710.db2.gz ATICVAGSBWASFG-QWHCGFSZSA-N 1 2 333.436 2.268 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001139129930 1372464390 /nfs/dbraw/zinc/46/43/90/1372464390.db2.gz KOWCPEVDPDTCLY-CYBMUJFWSA-N 1 2 342.395 2.004 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001139129930 1372464394 /nfs/dbraw/zinc/46/43/94/1372464394.db2.gz KOWCPEVDPDTCLY-CYBMUJFWSA-N 1 2 342.395 2.004 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)c(F)cc1O ZINC000840826136 783020934 /nfs/dbraw/zinc/02/09/34/783020934.db2.gz QNLWDLODMISWMS-IUCAKERBSA-N 1 2 345.212 2.471 20 10 EECDLO COc1c(C)[nH+]c(C2CC2)nc1NCCc1cc(O)c(O)cc1O ZINC001168010424 781735136 /nfs/dbraw/zinc/73/51/36/781735136.db2.gz VPEUFIKZYUQANI-UHFFFAOYSA-N 1 2 331.372 2.442 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000844282873 788982326 /nfs/dbraw/zinc/98/23/26/788982326.db2.gz WVTRUZUXORFNNE-OAHLLOKOSA-N 1 2 345.447 2.058 20 10 EECDLO Oc1c(Br)cccc1C[NH2+]CCN1CCSCC1 ZINC000226246388 790005100 /nfs/dbraw/zinc/00/51/00/790005100.db2.gz YYSBRCDBIGRLNQ-UHFFFAOYSA-N 1 2 331.279 2.293 20 10 EECDLO COc1c(O)c(C[NH+]2CC(O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291538091 533440960 /nfs/dbraw/zinc/44/09/60/533440960.db2.gz KYENCNBDMOKHIL-UHFFFAOYSA-N 1 2 330.340 2.012 20 10 EECDLO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000296254777 465131322 /nfs/dbraw/zinc/13/13/22/465131322.db2.gz DATOZQZIBXTDTF-ZWNOBZJWSA-N 1 2 334.869 2.414 20 10 EECDLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000154048049 462723713 /nfs/dbraw/zinc/72/37/13/462723713.db2.gz JMZVJPGDTRUCKH-UHFFFAOYSA-N 1 2 333.837 2.115 20 10 EECDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000154048049 462723718 /nfs/dbraw/zinc/72/37/18/462723718.db2.gz JMZVJPGDTRUCKH-UHFFFAOYSA-N 1 2 333.837 2.115 20 10 EECDLO COCCC[N@H+](Cc1c(O)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000120161976 462968686 /nfs/dbraw/zinc/96/86/86/462968686.db2.gz WCQJXVCFZCHGOU-LBPRGKRZSA-N 1 2 347.864 2.071 20 10 EECDLO COCCC[N@@H+](Cc1c(O)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000120161976 462968688 /nfs/dbraw/zinc/96/86/88/462968688.db2.gz WCQJXVCFZCHGOU-LBPRGKRZSA-N 1 2 347.864 2.071 20 10 EECDLO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000290156957 464109640 /nfs/dbraw/zinc/10/96/40/464109640.db2.gz CZXSTBPXMQRSBV-IXBGWNDUSA-N 1 2 330.340 2.446 20 10 EECDLO COCCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000189686771 464540753 /nfs/dbraw/zinc/54/07/53/464540753.db2.gz LMNLKVUILQIAIN-CQSZACIVSA-N 1 2 327.808 2.486 20 10 EECDLO COCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000189686771 464540760 /nfs/dbraw/zinc/54/07/60/464540760.db2.gz LMNLKVUILQIAIN-CQSZACIVSA-N 1 2 327.808 2.486 20 10 EECDLO CC(=O)NCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272874767 464693651 /nfs/dbraw/zinc/69/36/51/464693651.db2.gz MQPMVXMGCWKBFZ-ZDUSSCGKSA-N 1 2 336.432 2.061 20 10 EECDLO CC(=O)NCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272874767 464693655 /nfs/dbraw/zinc/69/36/55/464693655.db2.gz MQPMVXMGCWKBFZ-ZDUSSCGKSA-N 1 2 336.432 2.061 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000726258292 576252290 /nfs/dbraw/zinc/25/22/90/576252290.db2.gz WDKKADMEGVINNL-MRXNPFEDSA-N 1 2 348.491 2.053 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000726258292 576252292 /nfs/dbraw/zinc/25/22/92/576252292.db2.gz WDKKADMEGVINNL-MRXNPFEDSA-N 1 2 348.491 2.053 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777668769 577484544 /nfs/dbraw/zinc/48/45/44/577484544.db2.gz UVTFXWDWMCPDRY-AWEZNQCLSA-N 1 2 340.427 2.282 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777667785 577484558 /nfs/dbraw/zinc/48/45/58/577484558.db2.gz RMOFOTDXEBOAFV-OAHLLOKOSA-N 1 2 327.432 2.072 20 10 EECDLO Oc1cc2c(cc1C[NH+]1CCN(Cc3cccs3)CC1)[C@H](O)CO2 ZINC000768442996 577555786 /nfs/dbraw/zinc/55/57/86/577555786.db2.gz VMTJHGXBMDFZEJ-QGZVFWFLSA-N 1 2 346.452 2.197 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)N[C@H](CC4CC4)C3=O)CC2)cc1 ZINC000761224522 577679706 /nfs/dbraw/zinc/67/97/06/577679706.db2.gz WRUXDNIAINTISK-QGZVFWFLSA-N 1 2 343.427 2.385 20 10 EECDLO COC[C@@H]1CCCN1C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000752954315 577779065 /nfs/dbraw/zinc/77/90/65/577779065.db2.gz DVBKIZVGZDEWQC-KRWDZBQOSA-N 1 2 347.459 2.484 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)Cc2cn(C[C@@H]3CCCO3)nn2)cc1 ZINC000876511485 1199652096 /nfs/dbraw/zinc/65/20/96/1199652096.db2.gz JXWUXCQQEVJGCM-SFHVURJKSA-N 1 2 329.448 2.155 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)Cc2cn(C[C@@H]3CCCO3)nn2)cc1 ZINC000876511485 1199652098 /nfs/dbraw/zinc/65/20/98/1199652098.db2.gz JXWUXCQQEVJGCM-SFHVURJKSA-N 1 2 329.448 2.155 20 10 EECDLO COCC(COC)N1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000826122272 1201242169 /nfs/dbraw/zinc/24/21/69/1201242169.db2.gz ZNWFGCHBBCMSET-UHFFFAOYSA-N 1 2 342.867 2.133 20 10 EECDLO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883044794 1202002122 /nfs/dbraw/zinc/00/21/22/1202002122.db2.gz DHDZOVAFBFTVSR-LLVKDONJSA-N 1 2 345.212 2.394 20 10 EECDLO O=C1N(C2COC2)CC[C@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC001274227198 1204885665 /nfs/dbraw/zinc/88/56/65/1204885665.db2.gz DPFXWGIPNBWDSF-QGZVFWFLSA-N 1 2 336.819 2.011 20 10 EECDLO O=C1N(C2COC2)CC[C@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001274227198 1204885667 /nfs/dbraw/zinc/88/56/67/1204885667.db2.gz DPFXWGIPNBWDSF-QGZVFWFLSA-N 1 2 336.819 2.011 20 10 EECDLO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836635 1205180111 /nfs/dbraw/zinc/18/01/11/1205180111.db2.gz MJXXXUIESQGIIQ-KZULUSFZSA-N 1 2 334.416 2.169 20 10 EECDLO CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836635 1205180113 /nfs/dbraw/zinc/18/01/13/1205180113.db2.gz MJXXXUIESQGIIQ-KZULUSFZSA-N 1 2 334.416 2.169 20 10 EECDLO CCn1ccnc1CN1CCC2(C[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001276353965 1213898159 /nfs/dbraw/zinc/89/81/59/1213898159.db2.gz ARTVWVPWENBCFQ-UHFFFAOYSA-N 1 2 344.434 2.456 20 10 EECDLO O=C1c2cccc(O[C@@H]3C[NH2+]CC3(F)F)c2C(=O)c2cccc(O)c21 ZINC001218235193 1297609444 /nfs/dbraw/zinc/60/94/44/1297609444.db2.gz JMCWLKCVMDPQNJ-CYBMUJFWSA-N 1 2 345.301 2.154 20 10 EECDLO O=c1cccc(C[N@@H+]2CCC23CN(c2ccc4c(c2)OCCO4)C3)[nH]1 ZINC001277013527 1300864391 /nfs/dbraw/zinc/86/43/91/1300864391.db2.gz DJETYKIGKAKELC-UHFFFAOYSA-N 1 2 339.395 2.023 20 10 EECDLO O=c1cccc(C[N@H+]2CCC23CN(c2ccc4c(c2)OCCO4)C3)[nH]1 ZINC001277013527 1300864410 /nfs/dbraw/zinc/86/44/10/1300864410.db2.gz DJETYKIGKAKELC-UHFFFAOYSA-N 1 2 339.395 2.023 20 10 EECDLO C[C@H](C[NH+](C)C)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229192593 1302664970 /nfs/dbraw/zinc/66/49/70/1302664970.db2.gz PGKOFXVRUUROIT-LLVKDONJSA-N 1 2 325.364 2.497 20 10 EECDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231853236 1303931150 /nfs/dbraw/zinc/93/11/50/1303931150.db2.gz WEOAYRMXVOANMR-HNNXBMFYSA-N 1 2 344.459 2.236 20 10 EECDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231853236 1303931153 /nfs/dbraw/zinc/93/11/53/1303931153.db2.gz WEOAYRMXVOANMR-HNNXBMFYSA-N 1 2 344.459 2.236 20 10 EECDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC001232072710 1303989878 /nfs/dbraw/zinc/98/98/78/1303989878.db2.gz FWETUEOEIRSDFC-UHFFFAOYSA-N 1 2 329.400 2.132 20 10 EECDLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129269 1314708270 /nfs/dbraw/zinc/70/82/70/1314708270.db2.gz UBUANEUTXFSVCY-AAEUAGOBSA-N 1 2 345.395 2.438 20 10 EECDLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129269 1314708273 /nfs/dbraw/zinc/70/82/73/1314708273.db2.gz UBUANEUTXFSVCY-AAEUAGOBSA-N 1 2 345.395 2.438 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)Cc2nnn(C)c21 ZINC001139671715 1314756750 /nfs/dbraw/zinc/75/67/50/1314756750.db2.gz OVQAKZVFZCKINJ-INIZCTEOSA-N 1 2 343.475 2.325 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)Cc2nnn(C)c21 ZINC001139671715 1314756753 /nfs/dbraw/zinc/75/67/53/1314756753.db2.gz OVQAKZVFZCKINJ-INIZCTEOSA-N 1 2 343.475 2.325 20 10 EECDLO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978124 1349089045 /nfs/dbraw/zinc/08/90/45/1349089045.db2.gz KVEJQHGUDWJFAN-GFCCVEGCSA-N 1 2 331.420 2.166 20 10 EECDLO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)cc1 ZINC001590002741 1349102907 /nfs/dbraw/zinc/10/29/07/1349102907.db2.gz GTJHBTORVFOZSH-NWDGAFQWSA-N 1 2 339.399 2.476 20 10 EECDLO C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603662453 1350737080 /nfs/dbraw/zinc/73/70/80/1350737080.db2.gz KVWOTRXSYKUFHW-IAQYHMDHSA-N 1 2 331.420 2.164 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604057279 1350842510 /nfs/dbraw/zinc/84/25/10/1350842510.db2.gz ZEJXGDDTVKXXBU-HUBLWGQQSA-N 1 2 331.420 2.428 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC12COC2 ZINC000824490123 788187841 /nfs/dbraw/zinc/18/78/41/788187841.db2.gz WONCYHXSTYOUMR-NSHDSACASA-N 1 2 343.782 2.196 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC12COC2 ZINC000824490123 788187847 /nfs/dbraw/zinc/18/78/47/788187847.db2.gz WONCYHXSTYOUMR-NSHDSACASA-N 1 2 343.782 2.196 20 10 EECDLO CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1O ZINC000846188735 790084066 /nfs/dbraw/zinc/08/40/66/790084066.db2.gz PAKSEGOKZUCAAB-GWCFXTLKSA-N 1 2 332.853 2.120 20 10 EECDLO CC(C)CN1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)c(F)c3)CCN2C1=O ZINC000787289805 807068941 /nfs/dbraw/zinc/06/89/41/807068941.db2.gz XZDIBKGZWCEICP-INIZCTEOSA-N 1 2 348.466 2.470 20 10 EECDLO CC(C)CN1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c(F)c3)CCN2C1=O ZINC000787289805 807068949 /nfs/dbraw/zinc/06/89/49/807068949.db2.gz XZDIBKGZWCEICP-INIZCTEOSA-N 1 2 348.466 2.470 20 10 EECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000793325348 810268617 /nfs/dbraw/zinc/26/86/17/810268617.db2.gz QFGJZAHMCLWKGY-MRVPVSSYSA-N 1 2 332.194 2.157 20 10 EECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000793325348 810268623 /nfs/dbraw/zinc/26/86/23/810268623.db2.gz QFGJZAHMCLWKGY-MRVPVSSYSA-N 1 2 332.194 2.157 20 10 EECDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(O)c(O)c1 ZINC000793687737 810472254 /nfs/dbraw/zinc/47/22/54/810472254.db2.gz BDOGAGZYGUHQAF-UHFFFAOYSA-N 1 2 347.321 2.351 20 10 EECDLO CN(C)c1ccc([C@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH+](C)C)cc1 ZINC000891249738 676244682 /nfs/dbraw/zinc/24/46/82/676244682.db2.gz WDRJCEVPFHHDCB-QWHCGFSZSA-N 1 2 335.345 2.372 20 10 EECDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000028738659 463231775 /nfs/dbraw/zinc/23/17/75/463231775.db2.gz DKCDEEHEXHBWOL-UHFFFAOYSA-N 1 2 336.388 2.174 20 10 EECDLO CCCNC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000069777666 463323827 /nfs/dbraw/zinc/32/38/27/463323827.db2.gz YGCOERVBDFBYAX-UHFFFAOYSA-N 1 2 345.399 2.223 20 10 EECDLO CCCNC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000069777666 463323834 /nfs/dbraw/zinc/32/38/34/463323834.db2.gz YGCOERVBDFBYAX-UHFFFAOYSA-N 1 2 345.399 2.223 20 10 EECDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179719354 464178725 /nfs/dbraw/zinc/17/87/25/464178725.db2.gz NFUJUHRKFQJYTD-CYBMUJFWSA-N 1 2 346.880 2.339 20 10 EECDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179719354 464178728 /nfs/dbraw/zinc/17/87/28/464178728.db2.gz NFUJUHRKFQJYTD-CYBMUJFWSA-N 1 2 346.880 2.339 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281187890 464364457 /nfs/dbraw/zinc/36/44/57/464364457.db2.gz BKTMUMJVBGKFPW-RISCZKNCSA-N 1 2 338.791 2.179 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281187890 464364461 /nfs/dbraw/zinc/36/44/61/464364461.db2.gz BKTMUMJVBGKFPW-RISCZKNCSA-N 1 2 338.791 2.179 20 10 EECDLO Cc1nnc(CC[NH2+][C@H](C)c2cc(Br)ccc2O)[nH]1 ZINC000273396779 464713645 /nfs/dbraw/zinc/71/36/45/464713645.db2.gz FQPNZURDRDDXLS-MRVPVSSYSA-N 1 2 325.210 2.475 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCO[C@H](C)C3)CC2)cc1 ZINC000726714875 576291209 /nfs/dbraw/zinc/29/12/09/576291209.db2.gz AMYOVDWMMVFEBK-CQSZACIVSA-N 1 2 333.432 2.094 20 10 EECDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000775201176 577432599 /nfs/dbraw/zinc/43/25/99/577432599.db2.gz CHAHHVLSQBIMLA-VXGBXAGGSA-N 1 2 347.814 2.031 20 10 EECDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000775201176 577432600 /nfs/dbraw/zinc/43/26/00/577432600.db2.gz CHAHHVLSQBIMLA-VXGBXAGGSA-N 1 2 347.814 2.031 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769466443 577578448 /nfs/dbraw/zinc/57/84/48/577578448.db2.gz JJZPQVXCCPAMMX-SFHVURJKSA-N 1 2 332.444 2.441 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769466443 577578449 /nfs/dbraw/zinc/57/84/49/577578449.db2.gz JJZPQVXCCPAMMX-SFHVURJKSA-N 1 2 332.444 2.441 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@]1=O ZINC000763482447 577721780 /nfs/dbraw/zinc/72/17/80/577721780.db2.gz KJTYHQSQNQLQAZ-QKFKETGDSA-N 1 2 340.464 2.005 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@]1=O ZINC000763482447 577721781 /nfs/dbraw/zinc/72/17/81/577721781.db2.gz KJTYHQSQNQLQAZ-QKFKETGDSA-N 1 2 340.464 2.005 20 10 EECDLO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756578593 577847190 /nfs/dbraw/zinc/84/71/90/577847190.db2.gz WZAMKWDIDLJJBQ-SDBXPKJASA-N 1 2 336.201 2.342 20 10 EECDLO CN(C)c1ccc([C@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C)cc1 ZINC000891249738 676244681 /nfs/dbraw/zinc/24/46/81/676244681.db2.gz WDRJCEVPFHHDCB-QWHCGFSZSA-N 1 2 335.345 2.372 20 10 EECDLO O=C1OCCCN1C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000897589206 691653174 /nfs/dbraw/zinc/65/31/74/691653174.db2.gz GUDNYSOXJGOWIO-UHFFFAOYSA-N 1 2 326.343 2.477 20 10 EECDLO COCCCN(C)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883017932 1201997141 /nfs/dbraw/zinc/99/71/41/1201997141.db2.gz HVNOYKDSQNOKRP-UHFFFAOYSA-N 1 2 349.244 2.352 20 10 EECDLO COc1cc(N(C)C)ccc1C[NH+]1CC2(CCN2C(=O)NC(C)C)C1 ZINC001276367819 1224791394 /nfs/dbraw/zinc/79/13/94/1224791394.db2.gz FQBHFQFZLPGCDN-UHFFFAOYSA-N 1 2 346.475 2.139 20 10 EECDLO Cc1cccc(O)c1C[NH+]1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001274301855 1204990256 /nfs/dbraw/zinc/99/02/56/1204990256.db2.gz SUPMGFCDMQEXLS-UHFFFAOYSA-N 1 2 330.428 2.056 20 10 EECDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000926558810 1206227315 /nfs/dbraw/zinc/22/73/15/1206227315.db2.gz JEJRFAYYARMFNM-ABAIWWIYSA-N 1 2 349.385 2.189 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779665351 1210736818 /nfs/dbraw/zinc/73/68/18/1210736818.db2.gz KBVYNYXJGPCIEV-MRXNPFEDSA-N 1 2 341.459 2.496 20 10 EECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276380306 1249926859 /nfs/dbraw/zinc/92/68/59/1249926859.db2.gz OFIQTBPQGWSUPA-XJKSGUPXSA-N 1 2 332.835 2.475 20 10 EECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276380306 1249926867 /nfs/dbraw/zinc/92/68/67/1249926867.db2.gz OFIQTBPQGWSUPA-XJKSGUPXSA-N 1 2 332.835 2.475 20 10 EECDLO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000858586895 1294161343 /nfs/dbraw/zinc/16/13/43/1294161343.db2.gz HTBMBUFOZKHCNP-JGVFFNPUSA-N 1 2 349.200 2.353 20 10 EECDLO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CC3(F)F)cccc21 ZINC001218233640 1297608977 /nfs/dbraw/zinc/60/89/77/1297608977.db2.gz NDDSCDZQSGGKJU-AWEZNQCLSA-N 1 2 329.302 2.448 20 10 EECDLO C[C@@H]1CN(C2C[NH+](Cc3cc(Cl)c(O)cc3O)C2)C[C@H](C)O1 ZINC001232266845 1304058990 /nfs/dbraw/zinc/05/89/90/1304058990.db2.gz ZVRYUAWKDIAANK-PHIMTYICSA-N 1 2 326.824 2.045 20 10 EECDLO Cc1cc(Br)cc(C[NH+]2CC(N3CC(F)C3)C2)c1O ZINC001233106756 1304361342 /nfs/dbraw/zinc/36/13/42/1304361342.db2.gz MPVDIYAKXORIBX-UHFFFAOYSA-N 1 2 329.213 2.301 20 10 EECDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1)N1CCCC1 ZINC001233336158 1304434873 /nfs/dbraw/zinc/43/48/73/1304434873.db2.gz APJGPRJOJUAYHI-UHFFFAOYSA-N 1 2 339.386 2.440 20 10 EECDLO CC(C)c1ccc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c(O)c1 ZINC001237050012 1305779627 /nfs/dbraw/zinc/77/96/27/1305779627.db2.gz VRGUZCMBQMBVBF-UHFFFAOYSA-N 1 2 332.444 2.339 20 10 EECDLO CC(C)c1ccc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c(O)c1 ZINC001237050012 1305779637 /nfs/dbraw/zinc/77/96/37/1305779637.db2.gz VRGUZCMBQMBVBF-UHFFFAOYSA-N 1 2 332.444 2.339 20 10 EECDLO FC1(F)CCN(C2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001138498992 1314622008 /nfs/dbraw/zinc/62/20/08/1314622008.db2.gz ROHVVHAZCCRPNL-UHFFFAOYSA-N 1 2 337.414 2.048 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001139127612 1314708379 /nfs/dbraw/zinc/70/83/79/1314708379.db2.gz ZBGPLYQRKOGJFD-SFHVURJKSA-N 1 2 335.375 2.494 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001139127612 1314708380 /nfs/dbraw/zinc/70/83/80/1314708380.db2.gz ZBGPLYQRKOGJFD-SFHVURJKSA-N 1 2 335.375 2.494 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(n2cnnc2)CC1 ZINC001139132692 1314708814 /nfs/dbraw/zinc/70/88/14/1314708814.db2.gz ZGZOZJIEVUCNKU-UHFFFAOYSA-N 1 2 340.383 2.236 20 10 EECDLO COc1cccc(C[N@@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c1O ZINC001203594359 1321918767 /nfs/dbraw/zinc/91/87/67/1321918767.db2.gz WSAOXDHCDGAYSD-UHFFFAOYSA-N 1 2 345.399 2.085 20 10 EECDLO COc1cccc(C[N@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c1O ZINC001203594359 1321918769 /nfs/dbraw/zinc/91/87/69/1321918769.db2.gz WSAOXDHCDGAYSD-UHFFFAOYSA-N 1 2 345.399 2.085 20 10 EECDLO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203880899 1321981038 /nfs/dbraw/zinc/98/10/38/1321981038.db2.gz JVJMCANJXGJYQG-LBPRGKRZSA-N 1 2 336.388 2.114 20 10 EECDLO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203880899 1321981043 /nfs/dbraw/zinc/98/10/43/1321981043.db2.gz JVJMCANJXGJYQG-LBPRGKRZSA-N 1 2 336.388 2.114 20 10 EECDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204321958 1322111953 /nfs/dbraw/zinc/11/19/53/1322111953.db2.gz MDMAGKCUPZUVEO-LUPIEILUSA-N 1 2 344.455 2.439 20 10 EECDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204321958 1322111955 /nfs/dbraw/zinc/11/19/55/1322111955.db2.gz MDMAGKCUPZUVEO-LUPIEILUSA-N 1 2 344.455 2.439 20 10 EECDLO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589961104 1349082083 /nfs/dbraw/zinc/08/20/83/1349082083.db2.gz AGTFJBVHRCDLSQ-NVBFEUDRSA-N 1 2 329.404 2.181 20 10 EECDLO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590471841 1349345519 /nfs/dbraw/zinc/34/55/19/1349345519.db2.gz ORBYVKRXABJVCY-FMKPAKJESA-N 1 2 329.404 2.181 20 10 EECDLO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603656492 1350735428 /nfs/dbraw/zinc/73/54/28/1350735428.db2.gz JBOXMDPOEBKDQP-LLVKDONJSA-N 1 2 329.404 2.182 20 10 EECDLO C[C@H]([NH2+]CCOC1CCSCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603661669 1350736901 /nfs/dbraw/zinc/73/69/01/1350736901.db2.gz BOLQCJFHQWBFEL-NSHDSACASA-N 1 2 349.460 2.135 20 10 EECDLO Oc1cccc(F)c1C[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001137835817 1372281676 /nfs/dbraw/zinc/28/16/76/1372281676.db2.gz OXHLDKDTRXFHST-UHFFFAOYSA-N 1 2 328.347 2.322 20 10 EECDLO Oc1cccc(F)c1C[N@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001137835817 1372281683 /nfs/dbraw/zinc/28/16/83/1372281683.db2.gz OXHLDKDTRXFHST-UHFFFAOYSA-N 1 2 328.347 2.322 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)c3ccn[nH]3)CC2)c(C)c(C)[nH+]1 ZINC001089807747 775969232 /nfs/dbraw/zinc/96/92/32/775969232.db2.gz SRLQLDDCUMCLPK-UHFFFAOYSA-N 1 2 340.431 2.082 20 10 EECDLO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc([N+](=O)[O-])ccc1O ZINC000817953938 785103134 /nfs/dbraw/zinc/10/31/34/785103134.db2.gz WRHDAGBQZMOCID-LBPRGKRZSA-N 1 2 343.387 2.278 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984266 785134548 /nfs/dbraw/zinc/13/45/48/785134548.db2.gz XCPPESYZQZXEFE-PSASIEDQSA-N 1 2 349.656 2.447 20 10 EECDLO COc1ccc(N2CCC(Nc3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000171027453 791222673 /nfs/dbraw/zinc/22/26/73/791222673.db2.gz QQGIUVPBEUZHNE-UHFFFAOYSA-N 1 2 338.415 2.453 20 10 EECDLO CC(=O)N1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715825932 795537951 /nfs/dbraw/zinc/53/79/51/795537951.db2.gz GXVLAFXGFVGZRG-UHFFFAOYSA-N 1 2 345.212 2.394 20 10 EECDLO CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001172312303 796952875 /nfs/dbraw/zinc/95/28/75/796952875.db2.gz AKWOIZKEBYGVHS-GUTXKFCHSA-N 1 2 339.432 2.365 20 10 EECDLO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](C(F)(F)F)O1 ZINC000793698824 810490530 /nfs/dbraw/zinc/49/05/30/810490530.db2.gz IERLEWZDLCFCQE-JSGCOSHPSA-N 1 2 347.333 2.360 20 10 EECDLO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](C(F)(F)F)O1 ZINC000793698824 810490533 /nfs/dbraw/zinc/49/05/33/810490533.db2.gz IERLEWZDLCFCQE-JSGCOSHPSA-N 1 2 347.333 2.360 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1F ZINC000193007303 529781764 /nfs/dbraw/zinc/78/17/64/529781764.db2.gz SCGGIVXZECVHOH-GOSISDBHSA-N 1 2 349.450 2.151 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1F ZINC000193007303 529781767 /nfs/dbraw/zinc/78/17/67/529781767.db2.gz SCGGIVXZECVHOH-GOSISDBHSA-N 1 2 349.450 2.151 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3cccnc3OC)CC2)cc1 ZINC000069389645 215397754 /nfs/dbraw/zinc/39/77/54/215397754.db2.gz ONMXISKGZOCRIY-UHFFFAOYSA-N 1 2 341.411 2.498 20 10 EECDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000376091445 238282808 /nfs/dbraw/zinc/28/28/08/238282808.db2.gz COIRNKBJGGTTQG-DYLGSBMWSA-N 1 2 327.384 2.251 20 10 EECDLO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000296254775 465130671 /nfs/dbraw/zinc/13/06/71/465130671.db2.gz DATOZQZIBXTDTF-MFKMUULPSA-N 1 2 334.869 2.414 20 10 EECDLO COc1cc(O)c(CN2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000159495744 463288187 /nfs/dbraw/zinc/28/81/87/463288187.db2.gz RCCAYJGDTVIHDW-UHFFFAOYSA-N 1 2 343.427 2.122 20 10 EECDLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000071831033 463434896 /nfs/dbraw/zinc/43/48/96/463434896.db2.gz XERNJTVTQXMQGG-ZDUSSCGKSA-N 1 2 338.415 2.373 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000170836780 463719989 /nfs/dbraw/zinc/71/99/89/463719989.db2.gz MFAYKCLDORDDEZ-UHFFFAOYSA-N 1 2 348.491 2.005 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000170836780 463719991 /nfs/dbraw/zinc/71/99/91/463719991.db2.gz MFAYKCLDORDDEZ-UHFFFAOYSA-N 1 2 348.491 2.005 20 10 EECDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H](O)C(F)(F)F ZINC000278454164 463966857 /nfs/dbraw/zinc/96/68/57/463966857.db2.gz YKUYSWXMDWBLBX-JTQLQIEISA-N 1 2 338.282 2.054 20 10 EECDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H](O)C(F)(F)F ZINC000278454164 463966865 /nfs/dbraw/zinc/96/68/65/463966865.db2.gz YKUYSWXMDWBLBX-JTQLQIEISA-N 1 2 338.282 2.054 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1F ZINC000287837567 464016929 /nfs/dbraw/zinc/01/69/29/464016929.db2.gz WLGSTLBBUMHOSI-GOSISDBHSA-N 1 2 349.450 2.009 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1F ZINC000287837567 464016938 /nfs/dbraw/zinc/01/69/38/464016938.db2.gz WLGSTLBBUMHOSI-GOSISDBHSA-N 1 2 349.450 2.009 20 10 EECDLO COc1cc(Cl)cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c1O ZINC000292824708 464353924 /nfs/dbraw/zinc/35/39/24/464353924.db2.gz QKIFRQYZJBDCLK-UHFFFAOYSA-N 1 2 347.864 2.311 20 10 EECDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1 ZINC000271725220 464370416 /nfs/dbraw/zinc/37/04/16/464370416.db2.gz LJUOVFWTNVZQNC-UHFFFAOYSA-N 1 2 332.425 2.420 20 10 EECDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1c(F)cncc1F ZINC000285631884 464636815 /nfs/dbraw/zinc/63/68/15/464636815.db2.gz KWAFERKILMRMHO-GFCCVEGCSA-N 1 2 348.397 2.393 20 10 EECDLO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273528181 464720430 /nfs/dbraw/zinc/72/04/30/464720430.db2.gz VWZMWTSJPBEWCM-ZDUSSCGKSA-N 1 2 343.383 2.310 20 10 EECDLO CN1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1=O ZINC000183080036 464791928 /nfs/dbraw/zinc/79/19/28/464791928.db2.gz WQRHHGQNTHDMNV-UHFFFAOYSA-N 1 2 326.396 2.245 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)cc1 ZINC000374823484 466753169 /nfs/dbraw/zinc/75/31/69/466753169.db2.gz UZPCFEKDRJMLAT-CQSZACIVSA-N 1 2 329.448 2.235 20 10 EECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3nccnc3C)CC2)c1O ZINC000374135929 467007898 /nfs/dbraw/zinc/00/78/98/467007898.db2.gz IOYXJFXHEWUXQB-UHFFFAOYSA-N 1 2 344.390 2.155 20 10 EECDLO COc1ccc([NH+]2CCC(Nc3ccnc(C(N)=O)c3)CC2)cc1 ZINC000114185213 533998618 /nfs/dbraw/zinc/99/86/18/533998618.db2.gz SRCGLTOLWRLXAG-UHFFFAOYSA-N 1 2 326.400 2.270 20 10 EECDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cn1 ZINC000775058932 577428196 /nfs/dbraw/zinc/42/81/96/577428196.db2.gz DZWIULBEQYLRPT-UHFFFAOYSA-N 1 2 333.344 2.345 20 10 EECDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cn1 ZINC000775058932 577428197 /nfs/dbraw/zinc/42/81/97/577428197.db2.gz DZWIULBEQYLRPT-UHFFFAOYSA-N 1 2 333.344 2.345 20 10 EECDLO COc1cc(O)c(C[N@H+](C)Cc2nnc3ccccn32)cc1OC ZINC000775668335 577442232 /nfs/dbraw/zinc/44/22/32/577442232.db2.gz WWRLEUSGKQRQRK-UHFFFAOYSA-N 1 2 328.372 2.084 20 10 EECDLO COc1cc(O)c(C[N@@H+](C)Cc2nnc3ccccn32)cc1OC ZINC000775668335 577442233 /nfs/dbraw/zinc/44/22/33/577442233.db2.gz WWRLEUSGKQRQRK-UHFFFAOYSA-N 1 2 328.372 2.084 20 10 EECDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000769764581 577583807 /nfs/dbraw/zinc/58/38/07/577583807.db2.gz COIRNKBJGGTTQG-BRLPQQTGSA-N 1 2 327.384 2.251 20 10 EECDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(=O)N(C)C ZINC000756739969 577849673 /nfs/dbraw/zinc/84/96/73/577849673.db2.gz UTHWVUCLIMXAAD-JGVFFNPUSA-N 1 2 333.201 2.421 20 10 EECDLO O=C1N=NCN1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000894608323 682987549 /nfs/dbraw/zinc/98/75/49/682987549.db2.gz KZBJYGMFNRWDIM-UHFFFAOYSA-N 1 2 326.759 2.319 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)cc1 ZINC000895487704 684618047 /nfs/dbraw/zinc/61/80/47/684618047.db2.gz HQSNXHCVXQBPCK-QGZVFWFLSA-N 1 2 327.432 2.172 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)cc1 ZINC000895487704 684618048 /nfs/dbraw/zinc/61/80/48/684618048.db2.gz HQSNXHCVXQBPCK-QGZVFWFLSA-N 1 2 327.432 2.172 20 10 EECDLO CCc1ccc(C[NH+]2CC3(C2)CN(CC(C)C)C(=O)CO3)c(O)c1 ZINC001274655309 1205118085 /nfs/dbraw/zinc/11/80/85/1205118085.db2.gz JJJUWKHAUNNTBX-UHFFFAOYSA-N 1 2 332.444 2.024 20 10 EECDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001275418338 1205350980 /nfs/dbraw/zinc/35/09/80/1205350980.db2.gz AXQMDBDFRLTEBJ-OKILXGFUSA-N 1 2 331.441 2.321 20 10 EECDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001275418338 1205350984 /nfs/dbraw/zinc/35/09/84/1205350984.db2.gz AXQMDBDFRLTEBJ-OKILXGFUSA-N 1 2 331.441 2.321 20 10 EECDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001275418338 1205350986 /nfs/dbraw/zinc/35/09/86/1205350986.db2.gz AXQMDBDFRLTEBJ-OKILXGFUSA-N 1 2 331.441 2.321 20 10 EECDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001275418338 1205350987 /nfs/dbraw/zinc/35/09/87/1205350987.db2.gz AXQMDBDFRLTEBJ-OKILXGFUSA-N 1 2 331.441 2.321 20 10 EECDLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C1=CC(=O)CS1 ZINC000779235586 1209620683 /nfs/dbraw/zinc/62/06/83/1209620683.db2.gz ZSEKOBNLGQMIEM-GDBMZVCRSA-N 1 2 346.452 2.067 20 10 EECDLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C1=CC(=O)CS1 ZINC000779235586 1209620686 /nfs/dbraw/zinc/62/06/86/1209620686.db2.gz ZSEKOBNLGQMIEM-GDBMZVCRSA-N 1 2 346.452 2.067 20 10 EECDLO CCc1nc(CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000093283660 1214842191 /nfs/dbraw/zinc/84/21/91/1214842191.db2.gz AZSJKEJODJHGHV-UHFFFAOYSA-N 1 2 336.823 2.309 20 10 EECDLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)cc1Br ZINC001250128628 1278582754 /nfs/dbraw/zinc/58/27/54/1278582754.db2.gz IKOIHMDYEPRFJQ-LBPRGKRZSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)c(O)cc1Br ZINC001250128628 1278582759 /nfs/dbraw/zinc/58/27/59/1278582759.db2.gz IKOIHMDYEPRFJQ-LBPRGKRZSA-N 1 2 327.222 2.303 20 10 EECDLO Oc1c(CN2CC[NH2+]C[C@]3(CCCCN3)C2)cccc1C(F)(F)F ZINC001222684772 1299788165 /nfs/dbraw/zinc/78/81/65/1299788165.db2.gz KRTGOYZDXZQJJS-MRXNPFEDSA-N 1 2 343.393 2.329 20 10 EECDLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001277458352 1303245206 /nfs/dbraw/zinc/24/52/06/1303245206.db2.gz QNKRZPBDCDIQQU-UHFFFAOYSA-N 1 2 334.807 2.029 20 10 EECDLO COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231843231 1303928589 /nfs/dbraw/zinc/92/85/89/1303928589.db2.gz SXWYERCMGQFQHW-WFASDCNBSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231843231 1303928592 /nfs/dbraw/zinc/92/85/92/1303928592.db2.gz SXWYERCMGQFQHW-WFASDCNBSA-N 1 2 347.333 2.050 20 10 EECDLO CCc1ccc(C[N@H+]2CCc3c(nnn3CC)[C@H]2COC)c(O)c1 ZINC001236788195 1305676040 /nfs/dbraw/zinc/67/60/40/1305676040.db2.gz ZEIGUWSPONJSND-MRXNPFEDSA-N 1 2 330.432 2.312 20 10 EECDLO CCc1ccc(C[N@@H+]2CCc3c(nnn3CC)[C@H]2COC)c(O)c1 ZINC001236788195 1305676051 /nfs/dbraw/zinc/67/60/51/1305676051.db2.gz ZEIGUWSPONJSND-MRXNPFEDSA-N 1 2 330.432 2.312 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC001237681904 1306045095 /nfs/dbraw/zinc/04/50/95/1306045095.db2.gz UHMIAMHSUYGULW-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC001237681904 1306045101 /nfs/dbraw/zinc/04/51/01/1306045101.db2.gz UHMIAMHSUYGULW-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237805177 1306102496 /nfs/dbraw/zinc/10/24/96/1306102496.db2.gz JJUWIZRAWJRCFC-CYBMUJFWSA-N 1 2 344.814 2.302 20 10 EECDLO CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237805177 1306102500 /nfs/dbraw/zinc/10/25/00/1306102500.db2.gz JJUWIZRAWJRCFC-CYBMUJFWSA-N 1 2 344.814 2.302 20 10 EECDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078365 1315038163 /nfs/dbraw/zinc/03/81/63/1315038163.db2.gz UKJIKSJCPRWUJD-SFHVURJKSA-N 1 2 344.455 2.149 20 10 EECDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078365 1315038166 /nfs/dbraw/zinc/03/81/66/1315038166.db2.gz UKJIKSJCPRWUJD-SFHVURJKSA-N 1 2 344.455 2.149 20 10 EECDLO Cc1cc(N(C)C)ccc1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000840937724 1315440987 /nfs/dbraw/zinc/44/09/87/1315440987.db2.gz WSPUYWHKKOMRSJ-UHFFFAOYSA-N 1 2 343.475 2.202 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2nnn(CC)c21 ZINC001203623253 1321925159 /nfs/dbraw/zinc/92/51/59/1321925159.db2.gz OGALQHUOHHMMBL-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2nnn(CC)c21 ZINC001203623253 1321925160 /nfs/dbraw/zinc/92/51/60/1321925160.db2.gz OGALQHUOHHMMBL-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO CC(C)(C)OC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204283049 1322102493 /nfs/dbraw/zinc/10/24/93/1322102493.db2.gz XTTSVLLFAWVPTP-CQSZACIVSA-N 1 2 337.416 2.421 20 10 EECDLO CC(C)(C)OC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc(O)cc1O ZINC001204283049 1322102498 /nfs/dbraw/zinc/10/24/98/1322102498.db2.gz XTTSVLLFAWVPTP-CQSZACIVSA-N 1 2 337.416 2.421 20 10 EECDLO COc1cc(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)cc(O)c1O ZINC001204350091 1322122760 /nfs/dbraw/zinc/12/27/60/1322122760.db2.gz XAXNMVWZEYLGGG-UHFFFAOYSA-N 1 2 329.400 2.262 20 10 EECDLO COc1cc(C[N@H+]2CCN(C)c3nc(C)ccc3C2)cc(O)c1O ZINC001204350091 1322122768 /nfs/dbraw/zinc/12/27/68/1322122768.db2.gz XAXNMVWZEYLGGG-UHFFFAOYSA-N 1 2 329.400 2.262 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3cc(C)nn3C)CC2)cc1 ZINC001205927789 1323343930 /nfs/dbraw/zinc/34/39/30/1323343930.db2.gz HWZKSBUIJHOGBU-UHFFFAOYSA-N 1 2 344.459 2.076 20 10 EECDLO COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)n3cc[nH+]c3)C2)cc1 ZINC001329152359 1334596079 /nfs/dbraw/zinc/59/60/79/1334596079.db2.gz RFFJQKZILGILCH-GJZGRUSLSA-N 1 2 328.416 2.095 20 10 EECDLO CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)[C@H]1CCCOC1 ZINC001590462988 1349338349 /nfs/dbraw/zinc/33/83/49/1349338349.db2.gz WKNZPILNIUYCJK-XUJVJEKNSA-N 1 2 331.420 2.428 20 10 EECDLO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CCO1 ZINC001603658200 1350736434 /nfs/dbraw/zinc/73/64/34/1350736434.db2.gz QIYYJNNUXVXTBR-SLEUVZQESA-N 1 2 331.420 2.427 20 10 EECDLO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603845483 1350781506 /nfs/dbraw/zinc/78/15/06/1350781506.db2.gz DIWPEPPISVBZDI-UPJWGTAASA-N 1 2 331.420 2.428 20 10 EECDLO CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056931 1350842492 /nfs/dbraw/zinc/84/24/92/1350842492.db2.gz YAHUFBMTENAUHJ-TUKIKUTGSA-N 1 2 329.404 2.181 20 10 EECDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2c(O)cccc2Br)C1 ZINC000862377574 1369533347 /nfs/dbraw/zinc/53/33/47/1369533347.db2.gz SYVRWZRUKDXVFK-ZDUSSCGKSA-N 1 2 346.196 2.488 20 10 EECDLO CC[N@H+](CC(=O)OC)Cc1cc(OC)c(Br)cc1O ZINC001236751634 776979271 /nfs/dbraw/zinc/97/92/71/776979271.db2.gz UYVWMBSAVBOFTQ-UHFFFAOYSA-N 1 2 332.194 2.158 20 10 EECDLO CC[N@@H+](CC(=O)OC)Cc1cc(OC)c(Br)cc1O ZINC001236751634 776979277 /nfs/dbraw/zinc/97/92/77/776979277.db2.gz UYVWMBSAVBOFTQ-UHFFFAOYSA-N 1 2 332.194 2.158 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846109743 790052732 /nfs/dbraw/zinc/05/27/32/790052732.db2.gz VOVZOIYKDFGNAX-IVMMDQJWSA-N 1 2 337.416 2.237 20 10 EECDLO CNC(=O)CC[N@H+](C)CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000171670912 791438825 /nfs/dbraw/zinc/43/88/25/791438825.db2.gz NZQUJYPJLZXQFR-UHFFFAOYSA-N 1 2 345.418 2.484 20 10 EECDLO CNC(=O)CC[N@@H+](C)CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000171670912 791438835 /nfs/dbraw/zinc/43/88/35/791438835.db2.gz NZQUJYPJLZXQFR-UHFFFAOYSA-N 1 2 345.418 2.484 20 10 EECDLO Oc1ccc(Cl)c(F)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000792157368 809619883 /nfs/dbraw/zinc/61/98/83/809619883.db2.gz VLOPZVNETVWZED-LBPRGKRZSA-N 1 2 328.815 2.481 20 10 EECDLO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000092676048 237042850 /nfs/dbraw/zinc/04/28/50/237042850.db2.gz YBHAEOKTNAMBIX-SFHVURJKSA-N 1 2 326.396 2.464 20 10 EECDLO CCOc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000092676048 237042861 /nfs/dbraw/zinc/04/28/61/237042861.db2.gz YBHAEOKTNAMBIX-SFHVURJKSA-N 1 2 326.396 2.464 20 10 EECDLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000191895587 237277612 /nfs/dbraw/zinc/27/76/12/237277612.db2.gz YGAUTQWLODVAMZ-AWEZNQCLSA-N 1 2 342.447 2.038 20 10 EECDLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000191895587 237277619 /nfs/dbraw/zinc/27/76/19/237277619.db2.gz YGAUTQWLODVAMZ-AWEZNQCLSA-N 1 2 342.447 2.038 20 10 EECDLO CCCn1ncnc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000279460806 464107597 /nfs/dbraw/zinc/10/75/97/464107597.db2.gz MSOIJLQDVONPLC-UHFFFAOYSA-N 1 2 329.448 2.157 20 10 EECDLO CCCn1ncnc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000279460806 464107606 /nfs/dbraw/zinc/10/76/06/464107606.db2.gz MSOIJLQDVONPLC-UHFFFAOYSA-N 1 2 329.448 2.157 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273517973 464719965 /nfs/dbraw/zinc/71/99/65/464719965.db2.gz SXLCWBHZUBGTDF-LDYMZIIASA-N 1 2 347.293 2.114 20 10 EECDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000378528690 467332488 /nfs/dbraw/zinc/33/24/88/467332488.db2.gz AKNPWAJHPKEMOH-HNNXBMFYSA-N 1 2 341.459 2.379 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1O ZINC000528751969 467746116 /nfs/dbraw/zinc/74/61/16/467746116.db2.gz MAUICFHHNLIJDQ-CALCHBBNSA-N 1 2 341.835 2.061 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1O ZINC000528751969 467746120 /nfs/dbraw/zinc/74/61/20/467746120.db2.gz MAUICFHHNLIJDQ-CALCHBBNSA-N 1 2 341.835 2.061 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC000729598141 576667525 /nfs/dbraw/zinc/66/75/25/576667525.db2.gz SHDMANJVVFTLAM-MRXNPFEDSA-N 1 2 348.491 2.053 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC000729598141 576667527 /nfs/dbraw/zinc/66/75/27/576667527.db2.gz SHDMANJVVFTLAM-MRXNPFEDSA-N 1 2 348.491 2.053 20 10 EECDLO COc1ccc(O)c(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000734016399 577272539 /nfs/dbraw/zinc/27/25/39/577272539.db2.gz OWFDAALSJALGMN-UHFFFAOYSA-N 1 2 325.368 2.216 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1O ZINC000775740551 577444400 /nfs/dbraw/zinc/44/44/00/577444400.db2.gz KUIPFFRGLBRVCM-MFKMUULPSA-N 1 2 330.222 2.045 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1O ZINC000775740551 577444401 /nfs/dbraw/zinc/44/44/01/577444401.db2.gz KUIPFFRGLBRVCM-MFKMUULPSA-N 1 2 330.222 2.045 20 10 EECDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C(=O)N1c1cnn(C)c1 ZINC000776224743 577454960 /nfs/dbraw/zinc/45/49/60/577454960.db2.gz VQGILCAKKMMZAN-HZMBPMFUSA-N 1 2 334.807 2.063 20 10 EECDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1C1CCOCC1 ZINC000877672343 1200020586 /nfs/dbraw/zinc/02/05/86/1200020586.db2.gz CFUJCOJDMLFHKF-AWEZNQCLSA-N 1 2 342.798 2.054 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1 ZINC000877776078 1200094387 /nfs/dbraw/zinc/09/43/87/1200094387.db2.gz XRRVZSOOKUBJRB-CQSZACIVSA-N 1 2 332.322 2.044 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1 ZINC000877776078 1200094393 /nfs/dbraw/zinc/09/43/93/1200094393.db2.gz XRRVZSOOKUBJRB-CQSZACIVSA-N 1 2 332.322 2.044 20 10 EECDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(Br)cc2O)C1 ZINC000826013504 1200220000 /nfs/dbraw/zinc/22/00/00/1200220000.db2.gz VXFJOXRLWKVCCI-ZDUSSCGKSA-N 1 2 346.196 2.488 20 10 EECDLO COc1ccc(N2CC[NH+](C[C@](C)(O)C(F)(F)F)CC2)c(OC)c1 ZINC000879461970 1201079422 /nfs/dbraw/zinc/07/94/22/1201079422.db2.gz JHZSTFYEECSMRD-HNNXBMFYSA-N 1 2 348.365 2.139 20 10 EECDLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883111757 1202014423 /nfs/dbraw/zinc/01/44/23/1202014423.db2.gz PEVRNVXTRPGBGS-CPCISQLKSA-N 1 2 347.640 2.422 20 10 EECDLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883111760 1202014544 /nfs/dbraw/zinc/01/45/44/1202014544.db2.gz PEVRNVXTRPGBGS-WRWORJQWSA-N 1 2 347.640 2.422 20 10 EECDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(Br)cc1O ZINC000688549676 1210594321 /nfs/dbraw/zinc/59/43/21/1210594321.db2.gz GYPXAQJDSKHUHA-VIFPVBQESA-N 1 2 336.251 2.020 20 10 EECDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000688549676 1210594323 /nfs/dbraw/zinc/59/43/23/1210594323.db2.gz GYPXAQJDSKHUHA-VIFPVBQESA-N 1 2 336.251 2.020 20 10 EECDLO Oc1c(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)ccc(F)c1F ZINC001233073981 1304351879 /nfs/dbraw/zinc/35/18/79/1304351879.db2.gz FRFVEKVMSXOFQT-UHFFFAOYSA-N 1 2 348.397 2.479 20 10 EECDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336353 1304435145 /nfs/dbraw/zinc/43/51/45/1304435145.db2.gz IZLZYWPPAOOVNP-JTQLQIEISA-N 1 2 337.326 2.122 20 10 EECDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336353 1304435149 /nfs/dbraw/zinc/43/51/49/1304435149.db2.gz IZLZYWPPAOOVNP-JTQLQIEISA-N 1 2 337.326 2.122 20 10 EECDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236786096 1305675550 /nfs/dbraw/zinc/67/55/50/1305675550.db2.gz RLYTWQARZLOCFV-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236786096 1305675560 /nfs/dbraw/zinc/67/55/60/1305675560.db2.gz RLYTWQARZLOCFV-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237052359 1305779704 /nfs/dbraw/zinc/77/97/04/1305779704.db2.gz VCJGMZZXUQSMHG-MRXNPFEDSA-N 1 2 330.432 2.390 20 10 EECDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237052359 1305779709 /nfs/dbraw/zinc/77/97/09/1305779709.db2.gz VCJGMZZXUQSMHG-MRXNPFEDSA-N 1 2 330.432 2.390 20 10 EECDLO CCS(=O)(=O)CCC[NH2+]Cc1cccc(Br)c1O ZINC000840973015 1315449628 /nfs/dbraw/zinc/44/96/28/1315449628.db2.gz BEVDHFHRBOMENM-UHFFFAOYSA-N 1 2 336.251 2.069 20 10 EECDLO Nc1cc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)[nH+]cn1 ZINC001158871974 1319481686 /nfs/dbraw/zinc/48/16/86/1319481686.db2.gz UCOVVXZZGMDADR-UHFFFAOYSA-N 1 2 339.321 2.284 20 10 EECDLO CN(Cc1ccc(O)c(O)c1)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001203881726 1321981801 /nfs/dbraw/zinc/98/18/01/1321981801.db2.gz UOVZYMBIBQVZJU-SFHVURJKSA-N 1 2 342.439 2.431 20 10 EECDLO CN(Cc1ccc(O)c(O)c1)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001203881726 1321981803 /nfs/dbraw/zinc/98/18/03/1321981803.db2.gz UOVZYMBIBQVZJU-SFHVURJKSA-N 1 2 342.439 2.431 20 10 EECDLO Oc1cc(O)c(C[NH+]2CC3(CCN3CCCC(F)(F)F)C2)cc1O ZINC001276516955 1323905719 /nfs/dbraw/zinc/90/57/19/1323905719.db2.gz XGNUZLLBYSPBFG-UHFFFAOYSA-N 1 2 346.349 2.406 20 10 EECDLO O=C(CCc1ccc[nH]1)N1CCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001276537886 1324000821 /nfs/dbraw/zinc/00/08/21/1324000821.db2.gz OQLPHVJJGOPKNM-UHFFFAOYSA-N 1 2 343.402 2.279 20 10 EECDLO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603648849 1350733563 /nfs/dbraw/zinc/73/35/63/1350733563.db2.gz BOAFHAXLBRYWGT-IAQYHMDHSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589975636 1349089709 /nfs/dbraw/zinc/08/97/09/1349089709.db2.gz DGRUCNZZPCKYAH-SECBINFHSA-N 1 2 342.428 2.368 20 10 EECDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829092750 1372268113 /nfs/dbraw/zinc/26/81/13/1372268113.db2.gz NDOJAJUWZSPZMU-RBUKOAKNSA-N 1 2 346.471 2.484 20 10 EECDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829092750 1372268116 /nfs/dbraw/zinc/26/81/16/1372268116.db2.gz NDOJAJUWZSPZMU-RBUKOAKNSA-N 1 2 346.471 2.484 20 10 EECDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138253901 1372372286 /nfs/dbraw/zinc/37/22/86/1372372286.db2.gz KDJFYKOKQXSUQE-GOSISDBHSA-N 1 2 339.443 2.361 20 10 EECDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138253901 1372372290 /nfs/dbraw/zinc/37/22/90/1372372290.db2.gz KDJFYKOKQXSUQE-GOSISDBHSA-N 1 2 339.443 2.361 20 10 EECDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000893946805 780332450 /nfs/dbraw/zinc/33/24/50/780332450.db2.gz RAROZIXSJDJXDW-RKDXNWHRSA-N 1 2 345.212 2.380 20 10 EECDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000893946805 780332457 /nfs/dbraw/zinc/33/24/57/780332457.db2.gz RAROZIXSJDJXDW-RKDXNWHRSA-N 1 2 345.212 2.380 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000846448175 790172454 /nfs/dbraw/zinc/17/24/54/790172454.db2.gz ZHFVBHSHWKKELA-HNNXBMFYSA-N 1 2 342.443 2.049 20 10 EECDLO CCc1cc(=O)[nH]c(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)n1 ZINC000122127013 529565702 /nfs/dbraw/zinc/56/57/02/529565702.db2.gz DITIXGMWAQHDDC-UHFFFAOYSA-N 1 2 346.406 2.215 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000058126876 463541906 /nfs/dbraw/zinc/54/19/06/463541906.db2.gz FARRBTUDFWYIJN-INIZCTEOSA-N 1 2 331.460 2.218 20 10 EECDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000170600258 463680939 /nfs/dbraw/zinc/68/09/39/463680939.db2.gz TUBSYABPTOWLSD-CYBMUJFWSA-N 1 2 327.384 2.012 20 10 EECDLO CN(C)c1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1F ZINC000287611005 463943885 /nfs/dbraw/zinc/94/38/85/463943885.db2.gz HKEZWKVLBGKWLF-UHFFFAOYSA-N 1 2 343.393 2.485 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)CC ZINC000278412073 463964914 /nfs/dbraw/zinc/96/49/14/463964914.db2.gz QCFDYMBTLSZEDW-GWCFXTLKSA-N 1 2 340.376 2.376 20 10 EECDLO Oc1cc2c(cc1C[N@@H+]1CCc3nc(C4CC4)ncc3C1)OCO2 ZINC000529664285 467892390 /nfs/dbraw/zinc/89/23/90/467892390.db2.gz FYAVXFSZGDTNQF-UHFFFAOYSA-N 1 2 325.368 2.347 20 10 EECDLO Oc1cc2c(cc1C[N@H+]1CCc3nc(C4CC4)ncc3C1)OCO2 ZINC000529664285 467892392 /nfs/dbraw/zinc/89/23/92/467892392.db2.gz FYAVXFSZGDTNQF-UHFFFAOYSA-N 1 2 325.368 2.347 20 10 EECDLO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775254011 577433681 /nfs/dbraw/zinc/43/36/81/577433681.db2.gz FTCJYBWVCZREGR-KBPBESRZSA-N 1 2 346.431 2.464 20 10 EECDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(N(C)C)cc1 ZINC000775403972 577436660 /nfs/dbraw/zinc/43/66/60/577436660.db2.gz LKHUHXOFPGCAQW-ZDUSSCGKSA-N 1 2 336.399 2.219 20 10 EECDLO O=C(NCCc1ccc(O)c(O)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000768900641 577565320 /nfs/dbraw/zinc/56/53/20/577565320.db2.gz LKDPUZUBYKMQES-UHFFFAOYSA-N 1 2 337.379 2.315 20 10 EECDLO COc1ccc(N2CC[NH+](CN3C[C@H](C4CC4)CC3=O)CC2)cc1 ZINC000762478267 577701845 /nfs/dbraw/zinc/70/18/45/577701845.db2.gz RNLWNUOYUWJIFJ-MRXNPFEDSA-N 1 2 329.444 2.033 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)cc1 ZINC001029603767 686493061 /nfs/dbraw/zinc/49/30/61/686493061.db2.gz KLNBUUKJHDAUFB-OKILXGFUSA-N 1 2 333.367 2.107 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)cc1 ZINC001029603767 686493066 /nfs/dbraw/zinc/49/30/66/686493066.db2.gz KLNBUUKJHDAUFB-OKILXGFUSA-N 1 2 333.367 2.107 20 10 EECDLO C[N@H+](Cc1c(O)cccc1Br)C1CCS(=O)(=O)CC1 ZINC000707154042 1177417058 /nfs/dbraw/zinc/41/70/58/1177417058.db2.gz CGHNQTNHWQOZRP-UHFFFAOYSA-N 1 2 348.262 2.164 20 10 EECDLO C[N@@H+](Cc1c(O)cccc1Br)C1CCS(=O)(=O)CC1 ZINC000707154042 1177417065 /nfs/dbraw/zinc/41/70/65/1177417065.db2.gz CGHNQTNHWQOZRP-UHFFFAOYSA-N 1 2 348.262 2.164 20 10 EECDLO O=C1COCC2(C[NH+](Cc3cc(F)ccc3O)C2)N1CC1CCCC1 ZINC001273285791 1197956311 /nfs/dbraw/zinc/95/63/11/1197956311.db2.gz VLVMCCBKPPEPCO-UHFFFAOYSA-N 1 2 348.418 2.135 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(C)nn3C)CC2)c(OC)c1 ZINC000877708561 1200046769 /nfs/dbraw/zinc/04/67/69/1200046769.db2.gz OTUXBPFVMBAVNB-UHFFFAOYSA-N 1 2 330.432 2.068 20 10 EECDLO CC(C)N1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000883016140 1201996680 /nfs/dbraw/zinc/99/66/80/1201996680.db2.gz OTRISFFUHAVIJZ-LLVKDONJSA-N 1 2 345.212 2.393 20 10 EECDLO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000027165333 1202037301 /nfs/dbraw/zinc/03/73/01/1202037301.db2.gz CJSMYSLVEWJEIY-CYBMUJFWSA-N 1 2 327.446 2.014 20 10 EECDLO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000027165333 1202037303 /nfs/dbraw/zinc/03/73/03/1202037303.db2.gz CJSMYSLVEWJEIY-CYBMUJFWSA-N 1 2 327.446 2.014 20 10 EECDLO CCc1ccc(C[NH+]2CC3(C2)CN([C@@H](C)CC)C(=O)CO3)c(O)c1 ZINC001274653299 1205117155 /nfs/dbraw/zinc/11/71/55/1205117155.db2.gz IPIHJRICNKPBTK-AWEZNQCLSA-N 1 2 332.444 2.166 20 10 EECDLO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cn[nH]c3C)CC2)cc1 ZINC000779036787 1208459039 /nfs/dbraw/zinc/45/90/39/1208459039.db2.gz VLKLWBXTJLLLPK-HNNXBMFYSA-N 1 2 343.475 2.200 20 10 EECDLO CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3c(O)cccc3F)C[C@H]2CC1 ZINC001276359958 1213985052 /nfs/dbraw/zinc/98/50/52/1213985052.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 2 335.467 2.237 20 10 EECDLO CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3c(O)cccc3F)C[C@H]2CC1 ZINC001276359958 1213985057 /nfs/dbraw/zinc/98/50/57/1213985057.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 2 335.467 2.237 20 10 EECDLO CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@H]2CC1 ZINC001276359958 1213985064 /nfs/dbraw/zinc/98/50/64/1213985064.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 2 335.467 2.237 20 10 EECDLO CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3c(O)cccc3F)C[C@H]2CC1 ZINC001276359958 1213985068 /nfs/dbraw/zinc/98/50/68/1213985068.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 2 335.467 2.237 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c1O ZINC001231547914 1303840846 /nfs/dbraw/zinc/84/08/46/1303840846.db2.gz LNLBCDVYZGUPNM-GXTWGEPZSA-N 1 2 348.212 2.458 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)c1O ZINC001231547914 1303840849 /nfs/dbraw/zinc/84/08/49/1303840849.db2.gz LNLBCDVYZGUPNM-GXTWGEPZSA-N 1 2 348.212 2.458 20 10 EECDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC001231912484 1303945174 /nfs/dbraw/zinc/94/51/74/1303945174.db2.gz IRIZJJCZLJHLMK-UHFFFAOYSA-N 1 2 349.818 2.477 20 10 EECDLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194519 1304034725 /nfs/dbraw/zinc/03/47/25/1304034725.db2.gz JDBOAGZANMXYAT-CABCVRRESA-N 1 2 342.842 2.329 20 10 EECDLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194519 1304034729 /nfs/dbraw/zinc/03/47/29/1304034729.db2.gz JDBOAGZANMXYAT-CABCVRRESA-N 1 2 342.842 2.329 20 10 EECDLO COC(=O)c1c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c2ccccc2n1C ZINC001232403398 1304109131 /nfs/dbraw/zinc/10/91/31/1304109131.db2.gz XKUBDXSJEDLUGV-QWHCGFSZSA-N 1 2 334.391 2.117 20 10 EECDLO COC(=O)c1c(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c2ccccc2n1C ZINC001232403398 1304109136 /nfs/dbraw/zinc/10/91/36/1304109136.db2.gz XKUBDXSJEDLUGV-QWHCGFSZSA-N 1 2 334.391 2.117 20 10 EECDLO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233080507 1304355729 /nfs/dbraw/zinc/35/57/29/1304355729.db2.gz VTOHPVVOAVGIFL-LLVKDONJSA-N 1 2 337.326 2.122 20 10 EECDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233080507 1304355735 /nfs/dbraw/zinc/35/57/35/1304355735.db2.gz VTOHPVVOAVGIFL-LLVKDONJSA-N 1 2 337.326 2.122 20 10 EECDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454128 1304469583 /nfs/dbraw/zinc/46/95/83/1304469583.db2.gz HZGHRYCPJOJRNB-GFCCVEGCSA-N 1 2 333.306 2.175 20 10 EECDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454128 1304469588 /nfs/dbraw/zinc/46/95/88/1304469588.db2.gz HZGHRYCPJOJRNB-GFCCVEGCSA-N 1 2 333.306 2.175 20 10 EECDLO O=C1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@@H]2CCCN12 ZINC001233760847 1304581141 /nfs/dbraw/zinc/58/11/41/1304581141.db2.gz LQMNGZNPBAYDQV-NSHDSACASA-N 1 2 330.306 2.097 20 10 EECDLO O=C1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@@H]2CCCN12 ZINC001233760847 1304581144 /nfs/dbraw/zinc/58/11/44/1304581144.db2.gz LQMNGZNPBAYDQV-NSHDSACASA-N 1 2 330.306 2.097 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2Cl)CCCO1 ZINC001237086438 1305792195 /nfs/dbraw/zinc/79/21/95/1305792195.db2.gz LMZWQGPTIOQWDC-LBPRGKRZSA-N 1 2 334.199 2.463 20 10 EECDLO C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)n1cc[nH+]c1 ZINC001116361143 1305878582 /nfs/dbraw/zinc/87/85/82/1305878582.db2.gz IKGUFQCJXHKSRT-GOEBONIOSA-N 1 2 329.400 2.358 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001139127503 1314708018 /nfs/dbraw/zinc/70/80/18/1314708018.db2.gz XGNFRAXEWVDDAU-GOSISDBHSA-N 1 2 335.375 2.494 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001139127503 1314708020 /nfs/dbraw/zinc/70/80/20/1314708020.db2.gz XGNFRAXEWVDDAU-GOSISDBHSA-N 1 2 335.375 2.494 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[NH+](C2CCC2)CC1 ZINC001139127668 1314708306 /nfs/dbraw/zinc/70/83/06/1314708306.db2.gz ZUYFULCGCAMABR-UHFFFAOYSA-N 1 2 328.412 2.477 20 10 EECDLO CCn1ncc(CN[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000838943091 1315195739 /nfs/dbraw/zinc/19/57/39/1315195739.db2.gz GGULUAVHNJNGPE-OAHLLOKOSA-N 1 2 349.866 2.411 20 10 EECDLO CCn1ncc(CN[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000838943091 1315195745 /nfs/dbraw/zinc/19/57/45/1315195745.db2.gz GGULUAVHNJNGPE-OAHLLOKOSA-N 1 2 349.866 2.411 20 10 EECDLO CC(C)NC(=O)c1noc2c1C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203934080 1321994454 /nfs/dbraw/zinc/99/44/54/1321994454.db2.gz TZLRLFGWEPJVRI-UHFFFAOYSA-N 1 2 342.443 2.437 20 10 EECDLO CC(C)NC(=O)c1noc2c1C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203934080 1321994457 /nfs/dbraw/zinc/99/44/57/1321994457.db2.gz TZLRLFGWEPJVRI-UHFFFAOYSA-N 1 2 342.443 2.437 20 10 EECDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204319029 1322111080 /nfs/dbraw/zinc/11/10/80/1322111080.db2.gz FDAXSJRGRRKKIM-IBGZPJMESA-N 1 2 343.471 2.110 20 10 EECDLO COc1cc(C[NH+]2CCN(c3cc(C)ccn3)CC2)cc(O)c1O ZINC001204344144 1322119723 /nfs/dbraw/zinc/11/97/23/1322119723.db2.gz DVASHEDBJMIOBH-UHFFFAOYSA-N 1 2 329.400 2.132 20 10 EECDLO COc1cc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)cc(O)c1O ZINC001204344696 1322120166 /nfs/dbraw/zinc/12/01/66/1322120166.db2.gz BJOKGCZMDNAPBC-UHFFFAOYSA-N 1 2 346.383 2.048 20 10 EECDLO COc1cc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)cc(O)c1O ZINC001204344696 1322120172 /nfs/dbraw/zinc/12/01/72/1322120172.db2.gz BJOKGCZMDNAPBC-UHFFFAOYSA-N 1 2 346.383 2.048 20 10 EECDLO CCOc1ccc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC001323033723 1333372852 /nfs/dbraw/zinc/37/28/52/1333372852.db2.gz NSXKYCKTSJJGRW-IBGZPJMESA-N 1 2 339.439 2.434 20 10 EECDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC001326132557 1334031033 /nfs/dbraw/zinc/03/10/33/1334031033.db2.gz KKHNUUSPFKPQJM-INIZCTEOSA-N 1 2 341.459 2.209 20 10 EECDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816493502 784058172 /nfs/dbraw/zinc/05/81/72/784058172.db2.gz DRZCEKWAXRCQOV-NSHDSACASA-N 1 2 327.787 2.174 20 10 EECDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816493502 784058177 /nfs/dbraw/zinc/05/81/77/784058177.db2.gz DRZCEKWAXRCQOV-NSHDSACASA-N 1 2 327.787 2.174 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816938619 784391279 /nfs/dbraw/zinc/39/12/79/784391279.db2.gz FODKENGEQWDKSY-CQSZACIVSA-N 1 2 325.412 2.346 20 10 EECDLO Cc1cc(CN2C(=O)CN(Cc3ccccc3O)C2=O)cc(C)[nH+]1 ZINC000819171946 785445710 /nfs/dbraw/zinc/44/57/10/785445710.db2.gz RZDWTOYOGUCXGP-UHFFFAOYSA-N 1 2 325.368 2.368 20 10 EECDLO OCCCN1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000824558984 788215161 /nfs/dbraw/zinc/21/51/61/788215161.db2.gz BKSYEENGKKMSFU-ZDUSSCGKSA-N 1 2 343.265 2.091 20 10 EECDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nncn1C ZINC000715787599 795503329 /nfs/dbraw/zinc/50/33/29/795503329.db2.gz FOTIFVMBRJUNKS-ZETCQYMHSA-N 1 2 329.173 2.273 20 10 EECDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715794173 795505099 /nfs/dbraw/zinc/50/50/99/795505099.db2.gz JALLOMMGJBOYOT-ASCAZGACSA-N 1 2 338.242 2.493 20 10 EECDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715794173 795505103 /nfs/dbraw/zinc/50/51/03/795505103.db2.gz JALLOMMGJBOYOT-ASCAZGACSA-N 1 2 338.242 2.493 20 10 EECDLO Cc1nc(NC[C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)cc[nH+]1 ZINC001108416894 803505274 /nfs/dbraw/zinc/50/52/74/803505274.db2.gz FIKSOSDBCWQAPK-JTQLQIEISA-N 1 2 341.375 2.178 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)c3cccn3C)CC2)cc1F ZINC000122091336 237201977 /nfs/dbraw/zinc/20/19/77/237201977.db2.gz FCJJUDOZFIVYTP-UHFFFAOYSA-N 1 2 331.391 2.178 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1OC ZINC000160060255 237229259 /nfs/dbraw/zinc/22/92/59/237229259.db2.gz FSBHGFRSBKSMKO-SFHVURJKSA-N 1 2 342.395 2.083 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1OC ZINC000160060255 237229267 /nfs/dbraw/zinc/22/92/67/237229267.db2.gz FSBHGFRSBKSMKO-SFHVURJKSA-N 1 2 342.395 2.083 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC000372635418 533488954 /nfs/dbraw/zinc/48/89/54/533488954.db2.gz AAAOTXHHODXKCH-QWRGUYRKSA-N 1 2 334.185 2.068 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC000372635418 533488960 /nfs/dbraw/zinc/48/89/60/533488960.db2.gz AAAOTXHHODXKCH-QWRGUYRKSA-N 1 2 334.185 2.068 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000158135562 463208527 /nfs/dbraw/zinc/20/85/27/463208527.db2.gz QUJATYROFVVNTD-UHFFFAOYSA-N 1 2 345.487 2.356 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000158135562 463208530 /nfs/dbraw/zinc/20/85/30/463208530.db2.gz QUJATYROFVVNTD-UHFFFAOYSA-N 1 2 345.487 2.356 20 10 EECDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[S@](=O)C1 ZINC000277612916 463922771 /nfs/dbraw/zinc/92/27/71/463922771.db2.gz WNJDOUXCJXJJHJ-YPMLDQLKSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[S@](=O)C1 ZINC000277612916 463922777 /nfs/dbraw/zinc/92/27/77/463922777.db2.gz WNJDOUXCJXJJHJ-YPMLDQLKSA-N 1 2 332.263 2.355 20 10 EECDLO CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCOCC1 ZINC000279268533 464083929 /nfs/dbraw/zinc/08/39/29/464083929.db2.gz VZGPKJWQPBOBOL-UHFFFAOYSA-N 1 2 331.460 2.014 20 10 EECDLO CCN(CC)C(=O)CN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179627744 464165953 /nfs/dbraw/zinc/16/59/53/464165953.db2.gz UULOLDZCVQKRHM-UHFFFAOYSA-N 1 2 339.867 2.032 20 10 EECDLO COc1cc(N2CC[NH+](Cc3ccon3)CC2)cc(OC)c1OC ZINC000183697374 464899938 /nfs/dbraw/zinc/89/99/38/464899938.db2.gz NACVDQIFVVHOCL-UHFFFAOYSA-N 1 2 333.388 2.023 20 10 EECDLO COc1ccc(O)c([C@H](C)NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000728948479 576565604 /nfs/dbraw/zinc/56/56/04/576565604.db2.gz ATWYJEJFKADDGU-ZDUSSCGKSA-N 1 2 332.404 2.438 20 10 EECDLO C[C@@H]1CN(c2ccc(CNC(=O)C3=CC(=O)CS3)c[nH+]2)CCO1 ZINC000731870227 577129005 /nfs/dbraw/zinc/12/90/05/577129005.db2.gz VOAPYTHJYMWZNJ-LLVKDONJSA-N 1 2 333.413 2.004 20 10 EECDLO C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000773316555 577332777 /nfs/dbraw/zinc/33/27/77/577332777.db2.gz WDESJWKXJXWKER-OWCLPIDISA-N 1 2 348.491 2.222 20 10 EECDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000768229911 577552436 /nfs/dbraw/zinc/55/24/36/577552436.db2.gz ONNRRGWPXOTYNY-AWEZNQCLSA-N 1 2 325.430 2.271 20 10 EECDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1cc(OCC)ccc1O ZINC000768229911 577552437 /nfs/dbraw/zinc/55/24/37/577552437.db2.gz ONNRRGWPXOTYNY-AWEZNQCLSA-N 1 2 325.430 2.271 20 10 EECDLO Cc1nnc(CN2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)[nH]1 ZINC000895263204 684406644 /nfs/dbraw/zinc/40/66/44/684406644.db2.gz RHDKIARRYTYUER-UHFFFAOYSA-N 1 2 335.839 2.098 20 10 EECDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903276 1193598022 /nfs/dbraw/zinc/59/80/22/1193598022.db2.gz PPHNSVMDQPXFBE-DJJJIMSYSA-N 1 2 346.427 2.032 20 10 EECDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272903276 1193598023 /nfs/dbraw/zinc/59/80/23/1193598023.db2.gz PPHNSVMDQPXFBE-DJJJIMSYSA-N 1 2 346.427 2.032 20 10 EECDLO OC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CCCOC1 ZINC000883146532 1202021009 /nfs/dbraw/zinc/02/10/09/1202021009.db2.gz PKZPKFMJNAALLC-TVQRCGJNSA-N 1 2 348.212 2.171 20 10 EECDLO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001275820963 1205549850 /nfs/dbraw/zinc/54/98/50/1205549850.db2.gz CJHDLRBAXOWFTE-INIZCTEOSA-N 1 2 340.423 2.264 20 10 EECDLO COc1cc(N2CC[NH+](Cc3cnoc3C)CC2)cc(OC)c1OC ZINC000189531265 1209197098 /nfs/dbraw/zinc/19/70/98/1209197098.db2.gz RUEJEHWQIVGZHF-UHFFFAOYSA-N 1 2 347.415 2.331 20 10 EECDLO Oc1cccc(F)c1C[NH+]1CCC2(CN(Cc3cn[nH]c3)C2)CC1 ZINC001276354230 1213898359 /nfs/dbraw/zinc/89/83/59/1213898359.db2.gz NDCOOWDHDMWLQV-UHFFFAOYSA-N 1 2 330.407 2.352 20 10 EECDLO O=C(Nc1cccnc1)N1CCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001276359631 1213936062 /nfs/dbraw/zinc/93/60/62/1213936062.db2.gz KFJGALVIPXCLCF-UHFFFAOYSA-N 1 2 342.374 2.419 20 10 EECDLO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(O)c(O)c3Cl)CC2)c1 ZINC001193224818 1282383090 /nfs/dbraw/zinc/38/30/90/1282383090.db2.gz BLYNTWYTTSWGTM-UHFFFAOYSA-N 1 2 347.802 2.417 20 10 EECDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862365633 1295807956 /nfs/dbraw/zinc/80/79/56/1295807956.db2.gz VJXWSIRVQADCIQ-DZGCQCFKSA-N 1 2 339.430 2.326 20 10 EECDLO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(O)cc1O ZINC001231639779 1303876706 /nfs/dbraw/zinc/87/67/06/1303876706.db2.gz KBIZXTVJYJMHEW-INIZCTEOSA-N 1 2 342.386 2.412 20 10 EECDLO Clc1cc(CN2CCn3c[nH+]cc3C2)ccc1N1CCOCC1 ZINC001232199317 1304034962 /nfs/dbraw/zinc/03/49/62/1304034962.db2.gz FIXSLUXBOGHBPN-UHFFFAOYSA-N 1 2 332.835 2.389 20 10 EECDLO Oc1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)cccc1C(F)(F)F ZINC001233416132 1304461295 /nfs/dbraw/zinc/46/12/95/1304461295.db2.gz WZIPLMAZHFUZLD-CYBMUJFWSA-N 1 2 330.350 2.318 20 10 EECDLO Cc1ccccc1C(=O)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486206 1304478307 /nfs/dbraw/zinc/47/83/07/1304478307.db2.gz CQDWRBLXZZTYBG-UHFFFAOYSA-N 1 2 342.395 2.070 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCOC[C@@](C)(O)C2)c1 ZINC001236662913 1305627873 /nfs/dbraw/zinc/62/78/73/1305627873.db2.gz JEMWXEVIHXVIRY-AWEZNQCLSA-N 1 2 330.222 2.046 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCOC[C@@](C)(O)C2)c1 ZINC001236662913 1305627879 /nfs/dbraw/zinc/62/78/79/1305627879.db2.gz JEMWXEVIHXVIRY-AWEZNQCLSA-N 1 2 330.222 2.046 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000840241971 1315333445 /nfs/dbraw/zinc/33/34/45/1315333445.db2.gz PHWSRHRRWODGKZ-HNNXBMFYSA-N 1 2 329.448 2.188 20 10 EECDLO COc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc(O)c1O ZINC001204349705 1322123090 /nfs/dbraw/zinc/12/30/90/1322123090.db2.gz VSTASBYVXCCTHO-UHFFFAOYSA-N 1 2 330.384 2.134 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001276470332 1322162512 /nfs/dbraw/zinc/16/25/12/1322162512.db2.gz MHDKCXFWFVDOGV-OKILXGFUSA-N 1 2 349.381 2.084 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001276470332 1322162514 /nfs/dbraw/zinc/16/25/14/1322162514.db2.gz MHDKCXFWFVDOGV-OKILXGFUSA-N 1 2 349.381 2.084 20 10 EECDLO CCOc1ccc(N2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC001324299046 1333652442 /nfs/dbraw/zinc/65/24/42/1333652442.db2.gz RWAFEMOTBMAYHQ-QGZVFWFLSA-N 1 2 345.487 2.466 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589964776 1349083363 /nfs/dbraw/zinc/08/33/63/1349083363.db2.gz SNTFBDYPGDFPGD-NWDGAFQWSA-N 1 2 337.383 2.399 20 10 EECDLO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590465011 1349339773 /nfs/dbraw/zinc/33/97/73/1349339773.db2.gz GYVDMTBPXPFZIY-KNXALSJPSA-N 1 2 342.447 2.096 20 10 EECDLO CC[C@H]([NH2+]CC1(C)CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463906 1349339883 /nfs/dbraw/zinc/33/98/83/1349339883.db2.gz MNDQXWMGGKARHB-AWEZNQCLSA-N 1 2 331.420 2.430 20 10 EECDLO CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465691 1349340854 /nfs/dbraw/zinc/34/08/54/1349340854.db2.gz ICKSYQXIQXUFML-WFASDCNBSA-N 1 2 331.420 2.430 20 10 EECDLO C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)C(=O)OC(C)(C)C ZINC001603551726 1350718521 /nfs/dbraw/zinc/71/85/21/1350718521.db2.gz DFYOAOFYCIJLEM-MNOVXSKESA-N 1 2 347.419 2.201 20 10 EECDLO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Br)cc(F)c1O ZINC000840826355 783020457 /nfs/dbraw/zinc/02/04/57/783020457.db2.gz UXVJWPOPRAFTSE-DTWKUNHWSA-N 1 2 345.212 2.471 20 10 EECDLO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894077092 780505118 /nfs/dbraw/zinc/50/51/18/780505118.db2.gz WFVNXWPSQBOMAO-SECBINFHSA-N 1 2 345.212 2.381 20 10 EECDLO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894077092 780505125 /nfs/dbraw/zinc/50/51/25/780505125.db2.gz WFVNXWPSQBOMAO-SECBINFHSA-N 1 2 345.212 2.381 20 10 EECDLO Oc1ccccc1C[N@@H+](Cc1cn(C2CC2)nn1)C[C@@H]1CCCO1 ZINC000906276743 783798169 /nfs/dbraw/zinc/79/81/69/783798169.db2.gz MZDUWESYAZHTTL-KRWDZBQOSA-N 1 2 328.416 2.500 20 10 EECDLO Oc1ccccc1C[N@H+](Cc1cn(C2CC2)nn1)C[C@@H]1CCCO1 ZINC000906276743 783798174 /nfs/dbraw/zinc/79/81/74/783798174.db2.gz MZDUWESYAZHTTL-KRWDZBQOSA-N 1 2 328.416 2.500 20 10 EECDLO Cc1cc(C)c(CN2C(=O)CN(Cc3ccccc3O)C2=O)c[nH+]1 ZINC000819168945 785443158 /nfs/dbraw/zinc/44/31/58/785443158.db2.gz DHQGJNUGXQZMIO-UHFFFAOYSA-N 1 2 325.368 2.368 20 10 EECDLO Cn1cnnc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915228737 795752915 /nfs/dbraw/zinc/75/29/15/795752915.db2.gz YHGBCQQXBXWIPY-UHFFFAOYSA-N 1 2 330.392 2.003 20 10 EECDLO CN(Cc1ccc(N2CCOCC2)cc1)c1nc[nH+]c(N)c1Cl ZINC000277591593 463922327 /nfs/dbraw/zinc/92/23/27/463922327.db2.gz UFUHLZJNWNFQGJ-UHFFFAOYSA-N 1 2 333.823 2.185 20 10 EECDLO CN(Cc1ccc(N2CCOCC2)cc1)c1[nH+]cnc(N)c1Cl ZINC000277591593 463922333 /nfs/dbraw/zinc/92/23/33/463922333.db2.gz UFUHLZJNWNFQGJ-UHFFFAOYSA-N 1 2 333.823 2.185 20 10 EECDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1 ZINC000278242761 463959321 /nfs/dbraw/zinc/95/93/21/463959321.db2.gz OAFMWEIJFGUMKJ-UHFFFAOYSA-N 1 2 338.360 2.227 20 10 EECDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1 ZINC000278242761 463959328 /nfs/dbraw/zinc/95/93/28/463959328.db2.gz OAFMWEIJFGUMKJ-UHFFFAOYSA-N 1 2 338.360 2.227 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccccc1C ZINC000186525144 464017743 /nfs/dbraw/zinc/01/77/43/464017743.db2.gz ZEVNAQCPIYSKEY-IRXDYDNUSA-N 1 2 342.439 2.013 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccccc1C ZINC000186525144 464017747 /nfs/dbraw/zinc/01/77/47/464017747.db2.gz ZEVNAQCPIYSKEY-IRXDYDNUSA-N 1 2 342.439 2.013 20 10 EECDLO CCc1nocc1C[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000293549235 464410646 /nfs/dbraw/zinc/41/06/46/464410646.db2.gz YXIHZYUAPAWZSY-UHFFFAOYSA-N 1 2 344.459 2.393 20 10 EECDLO CCc1nocc1C[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000293549235 464410649 /nfs/dbraw/zinc/41/06/49/464410649.db2.gz YXIHZYUAPAWZSY-UHFFFAOYSA-N 1 2 344.459 2.393 20 10 EECDLO COc1c(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000293906631 464424850 /nfs/dbraw/zinc/42/48/50/464424850.db2.gz FTJGHPUJLNIQSQ-DLBZAZTESA-N 1 2 334.372 2.452 20 10 EECDLO COc1c(O)c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000293906631 464424856 /nfs/dbraw/zinc/42/48/56/464424856.db2.gz FTJGHPUJLNIQSQ-DLBZAZTESA-N 1 2 334.372 2.452 20 10 EECDLO Cc1[nH]c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c[nH+]1 ZINC000264762351 464454319 /nfs/dbraw/zinc/45/43/19/464454319.db2.gz UKUZFBRABOSEJK-RYUDHWBXSA-N 1 2 346.406 2.401 20 10 EECDLO COC[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000184719051 465021510 /nfs/dbraw/zinc/02/15/10/465021510.db2.gz HFNBYBLNCVHOAK-KRWDZBQOSA-N 1 2 345.443 2.248 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2C)c1 ZINC000368116752 466580380 /nfs/dbraw/zinc/58/03/80/466580380.db2.gz DYONYKMBQNXBAC-GOSISDBHSA-N 1 2 326.396 2.382 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2C)c1 ZINC000368116752 466580385 /nfs/dbraw/zinc/58/03/85/466580385.db2.gz DYONYKMBQNXBAC-GOSISDBHSA-N 1 2 326.396 2.382 20 10 EECDLO CC[N@@H+]1CCO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000377089624 467024005 /nfs/dbraw/zinc/02/40/05/467024005.db2.gz NTVFESLPVXGUHE-LBPRGKRZSA-N 1 2 333.215 2.036 20 10 EECDLO CC[N@H+]1CCO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000377089624 467024006 /nfs/dbraw/zinc/02/40/06/467024006.db2.gz NTVFESLPVXGUHE-LBPRGKRZSA-N 1 2 333.215 2.036 20 10 EECDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnnn3C3CC3)CC2)cc1 ZINC000191954517 534002841 /nfs/dbraw/zinc/00/28/41/534002841.db2.gz NOJFDRZPXNRVFK-AWEZNQCLSA-N 1 2 342.447 2.290 20 10 EECDLO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nnnn3C3CC3)CC2)cc1 ZINC000191954517 534002849 /nfs/dbraw/zinc/00/28/49/534002849.db2.gz NOJFDRZPXNRVFK-AWEZNQCLSA-N 1 2 342.447 2.290 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCC[C@H](C)OC)CC2)cc1 ZINC000726714928 576291192 /nfs/dbraw/zinc/29/11/92/576291192.db2.gz YRRAFHCTMGAQNO-AWEZNQCLSA-N 1 2 335.448 2.388 20 10 EECDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)no1 ZINC000729854933 576685556 /nfs/dbraw/zinc/68/55/56/576685556.db2.gz JNIOXHQFCDHISF-UHFFFAOYSA-N 1 2 334.395 2.379 20 10 EECDLO C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(N(C)C)cc1 ZINC000777638396 577483819 /nfs/dbraw/zinc/48/38/19/577483819.db2.gz VOIXGWIAEXADCC-DZGCQCFKSA-N 1 2 327.432 2.324 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N[C@@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000743656082 577888663 /nfs/dbraw/zinc/88/86/63/577888663.db2.gz YAOAZIAIROEUAD-GJZGRUSLSA-N 1 2 347.459 2.388 20 10 EECDLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)(C)CO ZINC000894881728 683295247 /nfs/dbraw/zinc/29/52/47/683295247.db2.gz DYHRBEYTNHUASF-CQSZACIVSA-N 1 2 325.359 2.253 20 10 EECDLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894994345 683455069 /nfs/dbraw/zinc/45/50/69/683455069.db2.gz ZYDYIPHZSFKOES-SECBINFHSA-N 1 2 345.212 2.204 20 10 EECDLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894994345 683455072 /nfs/dbraw/zinc/45/50/72/683455072.db2.gz ZYDYIPHZSFKOES-SECBINFHSA-N 1 2 345.212 2.204 20 10 EECDLO Oc1cc(F)c(F)cc1CN1CC[NH+](CCc2ccccn2)CC1 ZINC001142520290 1188215263 /nfs/dbraw/zinc/21/52/63/1188215263.db2.gz FIIAJVVQIIACPK-UHFFFAOYSA-N 1 2 333.382 2.426 20 10 EECDLO Cc1ccc(O)c(C[N@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c1 ZINC001272622272 1190935936 /nfs/dbraw/zinc/93/59/36/1190935936.db2.gz BUFINDCGYXVFHM-ZWKOTPCHSA-N 1 2 338.398 2.431 20 10 EECDLO Cc1ccc(O)c(C[N@@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c1 ZINC001272622272 1190935939 /nfs/dbraw/zinc/93/59/39/1190935939.db2.gz BUFINDCGYXVFHM-ZWKOTPCHSA-N 1 2 338.398 2.431 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925586927 1206132517 /nfs/dbraw/zinc/13/25/17/1206132517.db2.gz VWRRRAYUQPSMMB-KRWDZBQOSA-N 1 2 349.475 2.425 20 10 EECDLO COCCOCN1CCC2(C[NH+](Cc3cccc(Cl)c3O)C2)C1 ZINC001276380168 1249747342 /nfs/dbraw/zinc/74/73/42/1249747342.db2.gz IOYXIUCDZQOQJE-UHFFFAOYSA-N 1 2 340.851 2.174 20 10 EECDLO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc(CO)on1 ZINC000903448985 1240497570 /nfs/dbraw/zinc/49/75/70/1240497570.db2.gz UYHMZTQOAYGTKU-SCLBCKFNSA-N 1 2 332.448 2.186 20 10 EECDLO Cc1nc(N[C@H](C)CNC(=O)c2ccc(N=NC(N)=O)cc2)cc[nH+]1 ZINC001097905710 1246784547 /nfs/dbraw/zinc/78/45/47/1246784547.db2.gz IAGTZDBFJOKDAA-SNVBAGLBSA-N 1 2 341.375 2.178 20 10 EECDLO CC(C)c1ccc(CN2CC[N@H+](C)C[C@@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001276814227 1298451996 /nfs/dbraw/zinc/45/19/96/1298451996.db2.gz FLDAGRFSDFOHJF-FQEVSTJZSA-N 1 2 345.487 2.302 20 10 EECDLO CC(C)c1ccc(CN2CC[N@@H+](C)C[C@@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001276814227 1298452002 /nfs/dbraw/zinc/45/20/02/1298452002.db2.gz FLDAGRFSDFOHJF-FQEVSTJZSA-N 1 2 345.487 2.302 20 10 EECDLO O=C(N1CC(F)(C2CC2)C1)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001277493458 1303670002 /nfs/dbraw/zinc/67/00/02/1303670002.db2.gz TYMSHNSNHGCXEU-YJYMSZOUSA-N 1 2 348.393 2.456 20 10 EECDLO O=C(N1CC(F)(C2CC2)C1)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277493458 1303670010 /nfs/dbraw/zinc/67/00/10/1303670010.db2.gz TYMSHNSNHGCXEU-YJYMSZOUSA-N 1 2 348.393 2.456 20 10 EECDLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015538 1304328730 /nfs/dbraw/zinc/32/87/30/1304328730.db2.gz RFZWGMVVBMVHRT-UHFFFAOYSA-N 1 2 342.395 2.152 20 10 EECDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015538 1304328732 /nfs/dbraw/zinc/32/87/32/1304328732.db2.gz RFZWGMVVBMVHRT-UHFFFAOYSA-N 1 2 342.395 2.152 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccc4c(n3)OCCO4)CC2)cc1 ZINC001233839071 1304610798 /nfs/dbraw/zinc/61/07/98/1304610798.db2.gz NLVBVXXPRZBENF-UHFFFAOYSA-N 1 2 341.411 2.184 20 10 EECDLO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237948853 1306156732 /nfs/dbraw/zinc/15/67/32/1306156732.db2.gz IIGXUCYXEQFYOZ-GFCCVEGCSA-N 1 2 344.814 2.302 20 10 EECDLO CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237948853 1306156738 /nfs/dbraw/zinc/15/67/38/1306156738.db2.gz IIGXUCYXEQFYOZ-GFCCVEGCSA-N 1 2 344.814 2.302 20 10 EECDLO Cc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)cc1Br ZINC001250120453 1317215257 /nfs/dbraw/zinc/21/52/57/1317215257.db2.gz DVZXCNLBXKHGGJ-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(O)cc1Br ZINC001250120453 1317215263 /nfs/dbraw/zinc/21/52/63/1317215263.db2.gz DVZXCNLBXKHGGJ-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590464393 1349340217 /nfs/dbraw/zinc/34/02/17/1349340217.db2.gz CGSAFSZWGDQMQV-SWLSCSKDSA-N 1 2 331.420 2.430 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466701 1349341369 /nfs/dbraw/zinc/34/13/69/1349341369.db2.gz MABPXDWBVZEMBV-WFASDCNBSA-N 1 2 344.463 2.486 20 10 EECDLO COCCc1cc[nH+]c(N[C@@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001591447722 1349487546 /nfs/dbraw/zinc/48/75/46/1349487546.db2.gz BLEDBFMOSMVUMO-NSHDSACASA-N 1 2 340.387 2.329 20 10 EECDLO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604182023 1350886592 /nfs/dbraw/zinc/88/65/92/1350886592.db2.gz XDNRQGHMKRNRQF-STQMWFEESA-N 1 2 332.452 2.343 20 10 EECDLO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000706830424 785778181 /nfs/dbraw/zinc/77/81/81/785778181.db2.gz WGCIOALJJWJFSB-VXGBXAGGSA-N 1 2 341.249 2.108 20 10 EECDLO CN1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CC1=O ZINC000708171639 786763933 /nfs/dbraw/zinc/76/39/33/786763933.db2.gz MRIHMSPMIINRLW-VIFPVBQESA-N 1 2 333.613 2.128 20 10 EECDLO COC(=O)C1(C)C[NH+](Cc2cc(C)cc(Br)c2O)C1 ZINC000822534521 787239329 /nfs/dbraw/zinc/23/93/29/787239329.db2.gz KLBVBCUJXSURTL-UHFFFAOYSA-N 1 2 328.206 2.458 20 10 EECDLO CCn1nnc(C)c1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000823483440 787774349 /nfs/dbraw/zinc/77/43/49/787774349.db2.gz OAOBISXJLNWPQH-UHFFFAOYSA-N 1 2 333.411 2.076 20 10 EECDLO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715758162 795495253 /nfs/dbraw/zinc/49/52/53/795495253.db2.gz IRZUIGTUJRVOOX-WRWORJQWSA-N 1 2 338.242 2.496 20 10 EECDLO C[S@@](=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715828228 795538078 /nfs/dbraw/zinc/53/80/78/795538078.db2.gz NWJBHGAGCCWOTJ-GOSISDBHSA-N 1 2 336.226 2.295 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000278560069 463971213 /nfs/dbraw/zinc/97/12/13/463971213.db2.gz ASTBLLHCJYURAX-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000278560069 463971220 /nfs/dbraw/zinc/97/12/20/463971220.db2.gz ASTBLLHCJYURAX-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCOC[C@]23CCOC3)c1O ZINC000195016068 463976339 /nfs/dbraw/zinc/97/63/39/463976339.db2.gz TWWGQBWOTOERON-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@]23CCOC3)c1O ZINC000195016068 463976346 /nfs/dbraw/zinc/97/63/46/463976346.db2.gz TWWGQBWOTOERON-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO COCC[C@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000291016608 464141273 /nfs/dbraw/zinc/14/12/73/464141273.db2.gz BUYALYKSHHSAHZ-ZDUSSCGKSA-N 1 2 330.222 2.392 20 10 EECDLO COCC[C@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000291016608 464141275 /nfs/dbraw/zinc/14/12/75/464141275.db2.gz BUYALYKSHHSAHZ-ZDUSSCGKSA-N 1 2 330.222 2.392 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(F)c(F)c1O ZINC000187878915 464170355 /nfs/dbraw/zinc/17/03/55/464170355.db2.gz QKXHQCBLPUZYMY-GHMZBOCLSA-N 1 2 329.343 2.243 20 10 EECDLO Nc1ccc(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000237920898 464404311 /nfs/dbraw/zinc/40/43/11/464404311.db2.gz ANEVMMSMPCBHDV-UHFFFAOYSA-N 1 2 325.412 2.282 20 10 EECDLO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)cc1 ZINC000773831967 577366818 /nfs/dbraw/zinc/36/68/18/577366818.db2.gz MATKOTUUGABWER-WBVHZDCISA-N 1 2 348.443 2.069 20 10 EECDLO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)cc1 ZINC000773831967 577366819 /nfs/dbraw/zinc/36/68/19/577366819.db2.gz MATKOTUUGABWER-WBVHZDCISA-N 1 2 348.443 2.069 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769466442 577578491 /nfs/dbraw/zinc/57/84/91/577578491.db2.gz JJZPQVXCCPAMMX-GOSISDBHSA-N 1 2 332.444 2.441 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769466442 577578492 /nfs/dbraw/zinc/57/84/92/577578492.db2.gz JJZPQVXCCPAMMX-GOSISDBHSA-N 1 2 332.444 2.441 20 10 EECDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000761109673 577676792 /nfs/dbraw/zinc/67/67/92/577676792.db2.gz KUZSMZYLBFONSL-LJQANCHMSA-N 1 2 333.476 2.212 20 10 EECDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000761109673 577676793 /nfs/dbraw/zinc/67/67/93/577676793.db2.gz KUZSMZYLBFONSL-LJQANCHMSA-N 1 2 333.476 2.212 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(F)cc(F)c1O ZINC000756865237 577851960 /nfs/dbraw/zinc/85/19/60/577851960.db2.gz PEALKNMSMZGJCB-PWSUYJOCSA-N 1 2 329.343 2.243 20 10 EECDLO C[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741296497 578116446 /nfs/dbraw/zinc/11/64/46/578116446.db2.gz MCWQNGDJZOZCSK-XJKSGUPXSA-N 1 2 346.452 2.473 20 10 EECDLO C[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741296497 578116447 /nfs/dbraw/zinc/11/64/47/578116447.db2.gz MCWQNGDJZOZCSK-XJKSGUPXSA-N 1 2 346.452 2.473 20 10 EECDLO Cn1c[nH+]cc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000292424142 678756816 /nfs/dbraw/zinc/75/68/16/678756816.db2.gz UHIXPTOCKLIAIH-MRXNPFEDSA-N 1 2 344.415 2.017 20 10 EECDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@H](C)[S@@]1=O ZINC000894407981 682846596 /nfs/dbraw/zinc/84/65/96/682846596.db2.gz PEKKPDFFZNNXEE-KDGBHJTFSA-N 1 2 327.446 2.141 20 10 EECDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)C[C@H](C)[S@@]1=O ZINC000894407981 682846600 /nfs/dbraw/zinc/84/66/00/682846600.db2.gz PEKKPDFFZNNXEE-KDGBHJTFSA-N 1 2 327.446 2.141 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000825633983 1198427923 /nfs/dbraw/zinc/42/79/23/1198427923.db2.gz GVELXXCGCQHHDH-ZWNOBZJWSA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000825633983 1198427917 /nfs/dbraw/zinc/42/79/17/1198427917.db2.gz GVELXXCGCQHHDH-ZWNOBZJWSA-N 1 2 330.222 2.390 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000883158511 1202022744 /nfs/dbraw/zinc/02/27/44/1202022744.db2.gz IEUQBLQYCWHRNZ-CQSZACIVSA-N 1 2 348.212 2.315 20 10 EECDLO CCN1C[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000883158712 1202022750 /nfs/dbraw/zinc/02/27/50/1202022750.db2.gz PIHZDZBSGMEBHC-SECBINFHSA-N 1 2 345.212 2.252 20 10 EECDLO COc1ccc(N2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001274791064 1205163379 /nfs/dbraw/zinc/16/33/79/1205163379.db2.gz PKQBDMGQRAWUTH-IBGZPJMESA-N 1 2 340.427 2.163 20 10 EECDLO Cc1nonc1[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926560790 1206227584 /nfs/dbraw/zinc/22/75/84/1206227584.db2.gz WSVXZZUFOBYXTQ-SNVBAGLBSA-N 1 2 338.358 2.344 20 10 EECDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001276380325 1249964551 /nfs/dbraw/zinc/96/45/51/1249964551.db2.gz PIJZLGAJPGKMPT-IRXDYDNUSA-N 1 2 347.846 2.459 20 10 EECDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001276380325 1249964555 /nfs/dbraw/zinc/96/45/55/1249964555.db2.gz PIJZLGAJPGKMPT-IRXDYDNUSA-N 1 2 347.846 2.459 20 10 EECDLO O=C(NCC(F)F)[C@]12C[C@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277457131 1303226421 /nfs/dbraw/zinc/22/64/21/1303226421.db2.gz HEZGCPPIQXUWAG-BMIGLBTASA-N 1 2 330.762 2.391 20 10 EECDLO O=C(NCC(F)F)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001277457131 1303226424 /nfs/dbraw/zinc/22/64/24/1303226424.db2.gz HEZGCPPIQXUWAG-BMIGLBTASA-N 1 2 330.762 2.391 20 10 EECDLO COc1ccc(O)c(C[NH+]2CC3(C2)CC[C@@H](C(=O)NC(C)(C)C)O3)c1 ZINC001277463107 1303391212 /nfs/dbraw/zinc/39/12/12/1303391212.db2.gz IFMUFYGPSGXNIB-INIZCTEOSA-N 1 2 348.443 2.049 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC001231548067 1303840597 /nfs/dbraw/zinc/84/05/97/1303840597.db2.gz OGNDSZWCUXVWJV-IUCAKERBSA-N 1 2 334.185 2.068 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC001231548067 1303840601 /nfs/dbraw/zinc/84/06/01/1303840601.db2.gz OGNDSZWCUXVWJV-IUCAKERBSA-N 1 2 334.185 2.068 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000781906533 1303896032 /nfs/dbraw/zinc/89/60/32/1303896032.db2.gz YOPJGRWOBRYDNF-GFCCVEGCSA-N 1 2 339.233 2.270 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000781906533 1303896034 /nfs/dbraw/zinc/89/60/34/1303896034.db2.gz YOPJGRWOBRYDNF-GFCCVEGCSA-N 1 2 339.233 2.270 20 10 EECDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231913079 1303945470 /nfs/dbraw/zinc/94/54/70/1303945470.db2.gz FTVVPQHPUJHNON-GFCCVEGCSA-N 1 2 335.791 2.498 20 10 EECDLO Cc1cc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)ncn1 ZINC001232263979 1304058836 /nfs/dbraw/zinc/05/88/36/1304058836.db2.gz XQBJTPOJZAGUNZ-UHFFFAOYSA-N 1 2 334.807 2.172 20 10 EECDLO C[N@@H+](CCC1OCCO1)Cc1c(O)cc(Br)cc1F ZINC001233031835 1304334675 /nfs/dbraw/zinc/33/46/75/1304334675.db2.gz OIHBSAIVPCWZDG-UHFFFAOYSA-N 1 2 334.185 2.489 20 10 EECDLO C[N@H+](CCC1OCCO1)Cc1c(O)cc(Br)cc1F ZINC001233031835 1304334670 /nfs/dbraw/zinc/33/46/70/1304334670.db2.gz OIHBSAIVPCWZDG-UHFFFAOYSA-N 1 2 334.185 2.489 20 10 EECDLO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336422 1304435418 /nfs/dbraw/zinc/43/54/18/1304435418.db2.gz KZRKKWYRBAYGFK-NSHDSACASA-N 1 2 327.375 2.342 20 10 EECDLO CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336422 1304435421 /nfs/dbraw/zinc/43/54/21/1304435421.db2.gz KZRKKWYRBAYGFK-NSHDSACASA-N 1 2 327.375 2.342 20 10 EECDLO C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418631 1304461656 /nfs/dbraw/zinc/46/16/56/1304461656.db2.gz PCRVAQYRKYTALI-UHFFFAOYSA-N 1 2 331.382 2.090 20 10 EECDLO C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418631 1304461662 /nfs/dbraw/zinc/46/16/62/1304461662.db2.gz PCRVAQYRKYTALI-UHFFFAOYSA-N 1 2 331.382 2.090 20 10 EECDLO COc1ccc2ccc(O)c(C[N@@H+]3CCn4cnc(CO)c4C3)c2c1 ZINC001235507608 1305256631 /nfs/dbraw/zinc/25/66/31/1305256631.db2.gz PTLUXCNKXJVHNR-UHFFFAOYSA-N 1 2 339.395 2.259 20 10 EECDLO COc1ccc2ccc(O)c(C[N@H+]3CCn4cnc(CO)c4C3)c2c1 ZINC001235507608 1305256635 /nfs/dbraw/zinc/25/66/35/1305256635.db2.gz PTLUXCNKXJVHNR-UHFFFAOYSA-N 1 2 339.395 2.259 20 10 EECDLO COc1cc(C[N@@H+]2CCc3cnc(SC)nc3C2)c(O)c(OC)c1 ZINC001237681676 1306044979 /nfs/dbraw/zinc/04/49/79/1306044979.db2.gz RMDHZSOIEUZQKK-UHFFFAOYSA-N 1 2 347.440 2.480 20 10 EECDLO COc1cc(C[N@H+]2CCc3cnc(SC)nc3C2)c(O)c(OC)c1 ZINC001237681676 1306044998 /nfs/dbraw/zinc/04/49/98/1306044998.db2.gz RMDHZSOIEUZQKK-UHFFFAOYSA-N 1 2 347.440 2.480 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2cc(Br)c(C)cc2O)CCO1 ZINC001237681630 1306045443 /nfs/dbraw/zinc/04/54/43/1306045443.db2.gz KAWDSGQJZKRZTL-LBPRGKRZSA-N 1 2 330.222 2.310 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2cc(Br)c(C)cc2O)CCO1 ZINC001237681630 1306045454 /nfs/dbraw/zinc/04/54/54/1306045454.db2.gz KAWDSGQJZKRZTL-LBPRGKRZSA-N 1 2 330.222 2.310 20 10 EECDLO CC[N@H+](CCN(C)C)Cc1cccc(I)c1O ZINC001237782731 1306089151 /nfs/dbraw/zinc/08/91/51/1306089151.db2.gz GSXKEKOEBSOUJL-UHFFFAOYSA-N 1 2 348.228 2.380 20 10 EECDLO CC[N@@H+](CCN(C)C)Cc1cccc(I)c1O ZINC001237782731 1306089162 /nfs/dbraw/zinc/08/91/62/1306089162.db2.gz GSXKEKOEBSOUJL-UHFFFAOYSA-N 1 2 348.228 2.380 20 10 EECDLO CCN(CC[NH+](C)C)Cc1cccc(I)c1O ZINC001237782731 1306089168 /nfs/dbraw/zinc/08/91/68/1306089168.db2.gz GSXKEKOEBSOUJL-UHFFFAOYSA-N 1 2 348.228 2.380 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237804220 1306103171 /nfs/dbraw/zinc/10/31/71/1306103171.db2.gz YUOGTNJAFQSJTM-GFCCVEGCSA-N 1 2 329.803 2.420 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237804220 1306103175 /nfs/dbraw/zinc/10/31/75/1306103175.db2.gz YUOGTNJAFQSJTM-GFCCVEGCSA-N 1 2 329.803 2.420 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCOC2(CCOCC2)C1 ZINC001139132564 1314709394 /nfs/dbraw/zinc/70/93/94/1314709394.db2.gz WWYOUEZDUFAXIP-UHFFFAOYSA-N 1 2 345.395 2.188 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCOC2(CCOCC2)C1 ZINC001139132564 1314709399 /nfs/dbraw/zinc/70/93/99/1314709399.db2.gz WWYOUEZDUFAXIP-UHFFFAOYSA-N 1 2 345.395 2.188 20 10 EECDLO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2c(O)cc(F)cc2F)C1 ZINC001140581274 1314909470 /nfs/dbraw/zinc/90/94/70/1314909470.db2.gz NYEHZXCPMVBESP-GFCCVEGCSA-N 1 2 336.386 2.061 20 10 EECDLO Cc1cc(Br)c(O)c(CN2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205725475 1323269881 /nfs/dbraw/zinc/26/98/81/1323269881.db2.gz IEVDMLIBGRCVKR-OAHLLOKOSA-N 1 2 343.265 2.139 20 10 EECDLO C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852281 1334726994 /nfs/dbraw/zinc/72/69/94/1334726994.db2.gz YLJSKHCLALJORW-QFBILLFUSA-N 1 2 348.510 2.350 20 10 EECDLO C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852281 1334726996 /nfs/dbraw/zinc/72/69/96/1334726996.db2.gz YLJSKHCLALJORW-QFBILLFUSA-N 1 2 348.510 2.350 20 10 EECDLO CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465720 1349341432 /nfs/dbraw/zinc/34/14/32/1349341432.db2.gz VNQVCAVYIVHLGY-GDBMZVCRSA-N 1 2 345.447 2.410 20 10 EECDLO CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc(-c2nn[nH]n2)c1O ZINC001590469574 1349345045 /nfs/dbraw/zinc/34/50/45/1349345045.db2.gz KUSIQQMHLWMNAE-NEPJUHHUSA-N 1 2 339.346 2.037 20 10 EECDLO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603463359 1350709290 /nfs/dbraw/zinc/70/92/90/1350709290.db2.gz INILEBWIUGMIFZ-GYSYKLTISA-N 1 2 343.387 2.328 20 10 EECDLO OC[C@H]1CN(Cc2c(O)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001137832003 1372280115 /nfs/dbraw/zinc/28/01/15/1372280115.db2.gz WOVFAKQYLGAWNX-MRXNPFEDSA-N 1 2 330.403 2.210 20 10 EECDLO OC[C@H]1CN(Cc2c(O)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC001137832003 1372280117 /nfs/dbraw/zinc/28/01/17/1372280117.db2.gz WOVFAKQYLGAWNX-MRXNPFEDSA-N 1 2 330.403 2.210 20 10 EECDLO OC[C@H]1C[N@H+](Cc2c(O)cccc2F)CCN1Cc1ccccc1 ZINC001137832003 1372280121 /nfs/dbraw/zinc/28/01/21/1372280121.db2.gz WOVFAKQYLGAWNX-MRXNPFEDSA-N 1 2 330.403 2.210 20 10 EECDLO OC[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCN1Cc1ccccc1 ZINC001137832003 1372280125 /nfs/dbraw/zinc/28/01/25/1372280125.db2.gz WOVFAKQYLGAWNX-MRXNPFEDSA-N 1 2 330.403 2.210 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(CC)c21 ZINC001140744664 1372661275 /nfs/dbraw/zinc/66/12/75/1372661275.db2.gz GMGPHSSPXKHXDD-AWEZNQCLSA-N 1 2 346.431 2.154 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(CC)c21 ZINC001140744664 1372661282 /nfs/dbraw/zinc/66/12/82/1372661282.db2.gz GMGPHSSPXKHXDD-AWEZNQCLSA-N 1 2 346.431 2.154 20 10 EECDLO CO[C@H](C)C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001089810157 776041783 /nfs/dbraw/zinc/04/17/83/776041783.db2.gz IZXVXTFCVNPPCR-CQSZACIVSA-N 1 2 344.459 2.340 20 10 EECDLO CN(C)c1nc(NCCc2cc(O)c(O)cc2O)[nH+]c2ccccc21 ZINC001168005356 781633802 /nfs/dbraw/zinc/63/38/02/781633802.db2.gz BSHBDAWYDCEHSQ-UHFFFAOYSA-N 1 2 340.383 2.467 20 10 EECDLO CS(=O)(=O)CC[N@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000824902095 788341267 /nfs/dbraw/zinc/34/12/67/788341267.db2.gz RAMPUYUILHWGCJ-UHFFFAOYSA-N 1 2 348.262 2.164 20 10 EECDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000824902095 788341273 /nfs/dbraw/zinc/34/12/73/788341273.db2.gz RAMPUYUILHWGCJ-UHFFFAOYSA-N 1 2 348.262 2.164 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000715738607 795491936 /nfs/dbraw/zinc/49/19/36/795491936.db2.gz VSFCONQKWNCNJT-GFCCVEGCSA-N 1 2 336.226 2.251 20 10 EECDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000276516411 464962710 /nfs/dbraw/zinc/96/27/10/464962710.db2.gz UNGKDCHJOUNCLK-OAHLLOKOSA-N 1 2 345.395 2.283 20 10 EECDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000175051348 464485448 /nfs/dbraw/zinc/48/54/48/464485448.db2.gz LKUKPVLIZCTLAC-AWEZNQCLSA-N 1 2 346.431 2.246 20 10 EECDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000175051348 464485454 /nfs/dbraw/zinc/48/54/54/464485454.db2.gz LKUKPVLIZCTLAC-AWEZNQCLSA-N 1 2 346.431 2.246 20 10 EECDLO COCC[NH+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000176996724 464902606 /nfs/dbraw/zinc/90/26/06/464902606.db2.gz OFJIFCHDMVTXCN-UHFFFAOYSA-N 1 2 326.824 2.012 20 10 EECDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184694170 465019287 /nfs/dbraw/zinc/01/92/87/465019287.db2.gz PZMNFAIVHDKMBO-SNVBAGLBSA-N 1 2 335.853 2.309 20 10 EECDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184694170 465019289 /nfs/dbraw/zinc/01/92/89/465019289.db2.gz PZMNFAIVHDKMBO-SNVBAGLBSA-N 1 2 335.853 2.309 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NC[C@](C)(O)C3CC3)CC2)cc1 ZINC000732701858 577189091 /nfs/dbraw/zinc/18/90/91/577189091.db2.gz QEOKZLHEFVSVEY-IBGZPJMESA-N 1 2 347.459 2.124 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N[C@H](CO)CC3CC3)CC2)cc1 ZINC000755063295 577818930 /nfs/dbraw/zinc/81/89/30/577818930.db2.gz MRPLPRCLVKSXHQ-INIZCTEOSA-N 1 2 347.459 2.124 20 10 EECDLO C[C@H]1CN(CC[NH2+]Cc2cc(Br)cc(F)c2O)CCO1 ZINC000882984506 1201990995 /nfs/dbraw/zinc/99/09/95/1201990995.db2.gz KPPXIAUKZZEREW-JTQLQIEISA-N 1 2 347.228 2.104 20 10 EECDLO Cn1ncc(CCC[NH2+]Cc2cc(Br)cc(F)c2O)n1 ZINC000883130630 1202017640 /nfs/dbraw/zinc/01/76/40/1202017640.db2.gz MNIUHIYFWAXWEG-UHFFFAOYSA-N 1 2 343.200 2.145 20 10 EECDLO CN1C[C@@]2(F)C[N@H+](Cc3cc4ccccc4cc3O)C[C@@]2(F)C1=O ZINC001274664424 1205122696 /nfs/dbraw/zinc/12/26/96/1205122696.db2.gz MEMFUMOLOQKKMX-QZTJIDSGSA-N 1 2 332.350 2.250 20 10 EECDLO CN1C[C@@]2(F)C[N@@H+](Cc3cc4ccccc4cc3O)C[C@@]2(F)C1=O ZINC001274664424 1205122698 /nfs/dbraw/zinc/12/26/98/1205122698.db2.gz MEMFUMOLOQKKMX-QZTJIDSGSA-N 1 2 332.350 2.250 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000158031057 1208387858 /nfs/dbraw/zinc/38/78/58/1208387858.db2.gz FKBDTSFYCCMXPF-CYBMUJFWSA-N 1 2 339.233 2.270 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000158031057 1208387860 /nfs/dbraw/zinc/38/78/60/1208387860.db2.gz FKBDTSFYCCMXPF-CYBMUJFWSA-N 1 2 339.233 2.270 20 10 EECDLO OCCC[N@@H+]1CCC[C@H]1CNCc1c(O)cccc1Br ZINC000858170196 1294031275 /nfs/dbraw/zinc/03/12/75/1294031275.db2.gz JCNUGACKAPAEGP-LBPRGKRZSA-N 1 2 343.265 2.091 20 10 EECDLO OCCC[N@H+]1CCC[C@H]1CNCc1c(O)cccc1Br ZINC000858170196 1294031276 /nfs/dbraw/zinc/03/12/76/1294031276.db2.gz JCNUGACKAPAEGP-LBPRGKRZSA-N 1 2 343.265 2.091 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(C)c21 ZINC001231852446 1303930734 /nfs/dbraw/zinc/93/07/34/1303930734.db2.gz KWBRECDUFCYHFX-HNNXBMFYSA-N 1 2 344.459 2.241 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(C)c21 ZINC001231852446 1303930737 /nfs/dbraw/zinc/93/07/37/1303930737.db2.gz KWBRECDUFCYHFX-HNNXBMFYSA-N 1 2 344.459 2.241 20 10 EECDLO Oc1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc(O)c1O ZINC001233012161 1304327373 /nfs/dbraw/zinc/32/73/73/1304327373.db2.gz JAUXDCSELCIXRJ-UHFFFAOYSA-N 1 2 333.359 2.426 20 10 EECDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233419949 1304461692 /nfs/dbraw/zinc/46/16/92/1304461692.db2.gz SMTKFUMKNVKZAW-NSHDSACASA-N 1 2 331.338 2.304 20 10 EECDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233419949 1304461698 /nfs/dbraw/zinc/46/16/98/1304461698.db2.gz SMTKFUMKNVKZAW-NSHDSACASA-N 1 2 331.338 2.304 20 10 EECDLO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235058630 1305100443 /nfs/dbraw/zinc/10/04/43/1305100443.db2.gz PHKAVMDRLFRERA-AWEZNQCLSA-N 1 2 343.196 2.006 20 10 EECDLO O=C1NCC[C@@]12CC[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235058630 1305100446 /nfs/dbraw/zinc/10/04/46/1305100446.db2.gz PHKAVMDRLFRERA-AWEZNQCLSA-N 1 2 343.196 2.006 20 10 EECDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237056069 1305780047 /nfs/dbraw/zinc/78/00/47/1305780047.db2.gz MCVKWMUXQRQAJV-UHFFFAOYSA-N 1 2 332.322 2.044 20 10 EECDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237056069 1305780054 /nfs/dbraw/zinc/78/00/54/1305780054.db2.gz MCVKWMUXQRQAJV-UHFFFAOYSA-N 1 2 332.322 2.044 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1Br ZINC001237681905 1306043906 /nfs/dbraw/zinc/04/39/06/1306043906.db2.gz UHMIAMHSUYGULW-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1Br ZINC001237681905 1306043917 /nfs/dbraw/zinc/04/39/17/1306043917.db2.gz UHMIAMHSUYGULW-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO Oc1c(F)cccc1C[N@@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001138125164 1314549509 /nfs/dbraw/zinc/54/95/09/1314549509.db2.gz JVWVMOQGPLDQAY-UHFFFAOYSA-N 1 2 346.406 2.455 20 10 EECDLO Oc1c(F)cccc1C[N@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001138125164 1314549513 /nfs/dbraw/zinc/54/95/13/1314549513.db2.gz JVWVMOQGPLDQAY-UHFFFAOYSA-N 1 2 346.406 2.455 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CC1)OCCO2 ZINC001139124706 1314707704 /nfs/dbraw/zinc/70/77/04/1314707704.db2.gz DCSSZLONPRPBLM-UHFFFAOYSA-N 1 2 331.368 2.146 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001139129301 1314708490 /nfs/dbraw/zinc/70/84/90/1314708490.db2.gz VEIHTMXEVMKSFT-CYBMUJFWSA-N 1 2 340.383 2.236 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001139129301 1314708495 /nfs/dbraw/zinc/70/84/95/1314708495.db2.gz VEIHTMXEVMKSFT-CYBMUJFWSA-N 1 2 340.383 2.236 20 10 EECDLO CCOc1ccc(N2CC[NH+](Cc3cnc(OC)nc3)CC2)cc1 ZINC001206432358 1323491536 /nfs/dbraw/zinc/49/15/36/1323491536.db2.gz KNAFVHZFJSULOZ-UHFFFAOYSA-N 1 2 328.416 2.206 20 10 EECDLO COc1cc(O)c(CN2CCC[C@@]3(C2)C[N@H+](C)CCO3)cc1Cl ZINC001276621721 1324834031 /nfs/dbraw/zinc/83/40/31/1324834031.db2.gz YYWMZJKUMLCKDT-KRWDZBQOSA-N 1 2 340.851 2.351 20 10 EECDLO COc1cc(O)c(CN2CCC[C@@]3(C2)C[N@@H+](C)CCO3)cc1Cl ZINC001276621721 1324834036 /nfs/dbraw/zinc/83/40/36/1324834036.db2.gz YYWMZJKUMLCKDT-KRWDZBQOSA-N 1 2 340.851 2.351 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(CO)on1 ZINC001332385620 1335815563 /nfs/dbraw/zinc/81/55/63/1335815563.db2.gz LYDXQOOEBRJOKU-GFCCVEGCSA-N 1 2 349.406 2.118 20 10 EECDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000847356539 1337976235 /nfs/dbraw/zinc/97/62/35/1337976235.db2.gz TWZVNSMVUGFTFV-AWEZNQCLSA-N 1 2 344.484 2.458 20 10 EECDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000847356539 1337976239 /nfs/dbraw/zinc/97/62/39/1337976239.db2.gz TWZVNSMVUGFTFV-AWEZNQCLSA-N 1 2 344.484 2.458 20 10 EECDLO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978542 1349088926 /nfs/dbraw/zinc/08/89/26/1349088926.db2.gz NZGSRDUBMRXUQC-NOZJJQNGSA-N 1 2 331.401 2.018 20 10 EECDLO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590465012 1349340149 /nfs/dbraw/zinc/34/01/49/1349340149.db2.gz GYVDMTBPXPFZIY-RLCCDNCMSA-N 1 2 342.447 2.096 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603655895 1350735003 /nfs/dbraw/zinc/73/50/03/1350735003.db2.gz GBIIKWLHSKTPQG-NWDGAFQWSA-N 1 2 330.436 2.096 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603656307 1350735566 /nfs/dbraw/zinc/73/55/66/1350735566.db2.gz GCJAAVKBEISRNF-NWDGAFQWSA-N 1 2 331.420 2.428 20 10 EECDLO CC[C@H]([NH2+]Cc1cnccc1OC)c1cccc(-c2nn[nH]n2)c1O ZINC001604059880 1350843605 /nfs/dbraw/zinc/84/36/05/1350843605.db2.gz BALPITXNOYBCDR-AWEZNQCLSA-N 1 2 340.387 2.217 20 10 EECDLO O=S(=O)(Nc1cccc2c1CC[NH2+]C2)c1cccc2nsnc21 ZINC000149552596 1373274282 /nfs/dbraw/zinc/27/42/82/1373274282.db2.gz QLEXTUMMUOZGAC-UHFFFAOYSA-N 1 2 346.437 2.138 20 10 EECDLO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Br)c(F)cc1O ZINC000840826135 783020593 /nfs/dbraw/zinc/02/05/93/783020593.db2.gz QNLWDLODMISWMS-DTWKUNHWSA-N 1 2 345.212 2.471 20 10 EECDLO CCCC[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000893895658 780295438 /nfs/dbraw/zinc/29/54/38/780295438.db2.gz IRXCHFPGEKNYTR-CYBMUJFWSA-N 1 2 333.400 2.460 20 10 EECDLO CCCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000893895658 780295444 /nfs/dbraw/zinc/29/54/44/780295444.db2.gz IRXCHFPGEKNYTR-CYBMUJFWSA-N 1 2 333.400 2.460 20 10 EECDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000824566186 788217428 /nfs/dbraw/zinc/21/74/28/788217428.db2.gz FKGWEJSFBKEFJX-UHFFFAOYSA-N 1 2 349.232 2.267 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000844282871 788982377 /nfs/dbraw/zinc/98/23/77/788982377.db2.gz WVTRUZUXORFNNE-HNNXBMFYSA-N 1 2 345.447 2.058 20 10 EECDLO CC[C@]1(C)CC(=O)N(C[N@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000844726992 789331531 /nfs/dbraw/zinc/33/15/31/789331531.db2.gz ZPDNTRKQXKTLQC-LJQANCHMSA-N 1 2 347.459 2.196 20 10 EECDLO CC[C@]1(C)CC(=O)N(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000844726992 789331538 /nfs/dbraw/zinc/33/15/38/789331538.db2.gz ZPDNTRKQXKTLQC-LJQANCHMSA-N 1 2 347.459 2.196 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000846442792 790185302 /nfs/dbraw/zinc/18/53/02/790185302.db2.gz YAESZXCQFGKJHZ-HNNXBMFYSA-N 1 2 342.443 2.049 20 10 EECDLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715803710 795536989 /nfs/dbraw/zinc/53/69/89/795536989.db2.gz IYZZEFNOOSEUGF-MRVPVSSYSA-N 1 2 333.201 2.250 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000154001400 462718553 /nfs/dbraw/zinc/71/85/53/462718553.db2.gz QZRMQPULZGJWQE-AWEZNQCLSA-N 1 2 325.412 2.346 20 10 EECDLO Nc1ccc(CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000178669137 463939024 /nfs/dbraw/zinc/93/90/24/463939024.db2.gz YIOZJHQCMZULEP-LJQANCHMSA-N 1 2 339.439 2.001 20 10 EECDLO CCc1[nH+]c2ccccc2n1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000179094400 464055098 /nfs/dbraw/zinc/05/50/98/464055098.db2.gz IMYCVZWPKCSSIQ-UHFFFAOYSA-N 1 2 339.395 2.369 20 10 EECDLO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000290156960 464109284 /nfs/dbraw/zinc/10/92/84/464109284.db2.gz CZXSTBPXMQRSBV-NCAQKEMTSA-N 1 2 330.340 2.446 20 10 EECDLO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ncn(C)n2)c1O ZINC000187416573 464127674 /nfs/dbraw/zinc/12/76/74/464127674.db2.gz YUKZZCRWMZQMPL-VIFPVBQESA-N 1 2 325.210 2.442 20 10 EECDLO CCN(C1CC[NH+](Cc2cccc(Cl)c2O)CC1)S(C)(=O)=O ZINC000180186363 464261281 /nfs/dbraw/zinc/26/12/81/464261281.db2.gz SQEHACLATFSHAR-UHFFFAOYSA-N 1 2 346.880 2.292 20 10 EECDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1c(F)ccc(O)c1O ZINC000276502751 464958684 /nfs/dbraw/zinc/95/86/84/464958684.db2.gz CLMLAFPZAYITKZ-UHFFFAOYSA-N 1 2 347.346 2.029 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000372751775 466572366 /nfs/dbraw/zinc/57/23/66/466572366.db2.gz QHVSDNMORPLVKH-ZBINZKHDSA-N 1 2 336.819 2.334 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000372751775 466572372 /nfs/dbraw/zinc/57/23/72/466572372.db2.gz QHVSDNMORPLVKH-ZBINZKHDSA-N 1 2 336.819 2.334 20 10 EECDLO COc1ccc([NH+]2CCC(Nc3ncnc4c3ncn4C)CC2)cc1 ZINC000726594786 576278601 /nfs/dbraw/zinc/27/86/01/576278601.db2.gz XCZRJSHSYLLPAZ-UHFFFAOYSA-N 1 2 338.415 2.453 20 10 EECDLO COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000728945468 576565058 /nfs/dbraw/zinc/56/50/58/576565058.db2.gz UVCDWRJBLWNSAC-GFCCVEGCSA-N 1 2 344.415 2.422 20 10 EECDLO CC[N@H+](Cc1cn(C)nn1)Cc1cc(Br)ccc1O ZINC000761666568 577687410 /nfs/dbraw/zinc/68/74/10/577687410.db2.gz KFGRTTHKFXVRIV-UHFFFAOYSA-N 1 2 325.210 2.305 20 10 EECDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cc(Br)ccc1O ZINC000761666568 577687411 /nfs/dbraw/zinc/68/74/11/577687411.db2.gz KFGRTTHKFXVRIV-UHFFFAOYSA-N 1 2 325.210 2.305 20 10 EECDLO C[C@H]([NH2+]CCOCCO)c1cc(Br)cc(Cl)c1O ZINC000756359962 577842690 /nfs/dbraw/zinc/84/26/90/577842690.db2.gz CQOPISFPYARFII-QMMMGPOBSA-N 1 2 338.629 2.468 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000022367217 675577554 /nfs/dbraw/zinc/57/75/54/675577554.db2.gz DIVKLIUORDTVBC-UHFFFAOYSA-N 1 2 329.444 2.461 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000022367217 675577555 /nfs/dbraw/zinc/57/75/55/675577555.db2.gz DIVKLIUORDTVBC-UHFFFAOYSA-N 1 2 329.444 2.461 20 10 EECDLO COc1cc(N2CC[NH+](Cc3ocnc3C)CC2)cc(OC)c1OC ZINC000894461822 682911485 /nfs/dbraw/zinc/91/14/85/682911485.db2.gz QOGOTODYVPUKFI-UHFFFAOYSA-N 1 2 347.415 2.331 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000897562439 691618205 /nfs/dbraw/zinc/61/82/05/691618205.db2.gz GEDZALOZBHQYEP-HNNXBMFYSA-N 1 2 337.807 2.361 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000897562439 691618207 /nfs/dbraw/zinc/61/82/07/691618207.db2.gz GEDZALOZBHQYEP-HNNXBMFYSA-N 1 2 337.807 2.361 20 10 EECDLO Cc1ccc(O)c(C[NH+]2CC3(C2)CN(C2CCCC2)C(=O)CO3)c1 ZINC001272622592 1190935640 /nfs/dbraw/zinc/93/56/40/1190935640.db2.gz OUEHZHCEYMDTDQ-UHFFFAOYSA-N 1 2 330.428 2.056 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@@H](C(N)=O)C1 ZINC000825567260 1198247806 /nfs/dbraw/zinc/24/78/06/1198247806.db2.gz GXOIVXQYBXUPPA-BXKDBHETSA-N 1 2 327.222 2.241 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@@H](C(N)=O)C1 ZINC000825567260 1198247814 /nfs/dbraw/zinc/24/78/14/1198247814.db2.gz GXOIVXQYBXUPPA-BXKDBHETSA-N 1 2 327.222 2.241 20 10 EECDLO COc1cc(N2CC[NH+](Cc3ccns3)CC2)cc(OC)c1OC ZINC000877347169 1199909979 /nfs/dbraw/zinc/90/99/79/1199909979.db2.gz YNFJOQARQLVMNN-UHFFFAOYSA-N 1 2 349.456 2.491 20 10 EECDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2O)C[C@H](CO)O1 ZINC000826131721 1201306882 /nfs/dbraw/zinc/30/68/82/1201306882.db2.gz YGMDHEFOJGRJRL-GFCCVEGCSA-N 1 2 330.222 2.126 20 10 EECDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2O)C[C@H](CO)O1 ZINC000826131721 1201306886 /nfs/dbraw/zinc/30/68/86/1201306886.db2.gz YGMDHEFOJGRJRL-GFCCVEGCSA-N 1 2 330.222 2.126 20 10 EECDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001275307155 1205305200 /nfs/dbraw/zinc/30/52/00/1205305200.db2.gz YDXKONLDPHKWPS-AAEUAGOBSA-N 1 2 339.386 2.295 20 10 EECDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001275307155 1205305203 /nfs/dbraw/zinc/30/52/03/1205305203.db2.gz YDXKONLDPHKWPS-AAEUAGOBSA-N 1 2 339.386 2.295 20 10 EECDLO COc1c(C)c[nH+]c(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000779481919 1210392819 /nfs/dbraw/zinc/39/28/19/1210392819.db2.gz SCEBICOLUGRAKY-FNORWQNLSA-N 1 2 328.368 2.448 20 10 EECDLO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Br)c(F)cc1O ZINC000858549474 1294151055 /nfs/dbraw/zinc/15/10/55/1294151055.db2.gz VTOMMEAMOJNHHO-NXEZZACHSA-N 1 2 347.228 2.011 20 10 EECDLO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Br)cc(F)c1O ZINC000858601795 1294164535 /nfs/dbraw/zinc/16/45/35/1294164535.db2.gz KFOMINIBSVBKHQ-ONGXEEELSA-N 1 2 347.228 2.011 20 10 EECDLO COC[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000862336677 1295798914 /nfs/dbraw/zinc/79/89/14/1295798914.db2.gz IWRIRFMDLBGETA-WDEREUQCSA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000862336677 1295798921 /nfs/dbraw/zinc/79/89/21/1295798921.db2.gz IWRIRFMDLBGETA-WDEREUQCSA-N 1 2 330.222 2.390 20 10 EECDLO COc1ccc(N2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)cc1F ZINC001277009918 1300798538 /nfs/dbraw/zinc/79/85/38/1300798538.db2.gz OUXASHDSJXNNFU-IYBDPMFKSA-N 1 2 331.391 2.252 20 10 EECDLO COc1ccc(N2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)cc1F ZINC001277009918 1300798544 /nfs/dbraw/zinc/79/85/44/1300798544.db2.gz OUXASHDSJXNNFU-IYBDPMFKSA-N 1 2 331.391 2.252 20 10 EECDLO O=C([C@H]1CC12C[NH+](Cc1c(O)cccc1F)C2)N1CC(F)(C2CC2)C1 ZINC001277492972 1303666648 /nfs/dbraw/zinc/66/66/48/1303666648.db2.gz HDURJXHUCNWYSK-CQSZACIVSA-N 1 2 348.393 2.314 20 10 EECDLO OC[C@H]1C[C@H](F)C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194520 1304035161 /nfs/dbraw/zinc/03/51/61/1304035161.db2.gz JDBOAGZANMXYAT-GJZGRUSLSA-N 1 2 342.842 2.329 20 10 EECDLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194520 1304035168 /nfs/dbraw/zinc/03/51/68/1304035168.db2.gz JDBOAGZANMXYAT-GJZGRUSLSA-N 1 2 342.842 2.329 20 10 EECDLO COc1cncc(OC)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001232508723 1304155589 /nfs/dbraw/zinc/15/55/89/1304155589.db2.gz UHUBPTREKZYCDV-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO COc1cncc(OC)c1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001232508723 1304155593 /nfs/dbraw/zinc/15/55/93/1304155593.db2.gz UHUBPTREKZYCDV-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO COc1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c(O)c1Cl ZINC001236800593 1305681464 /nfs/dbraw/zinc/68/14/64/1305681464.db2.gz AXKJQOXLNAWKBQ-LBPRGKRZSA-N 1 2 327.808 2.170 20 10 EECDLO COC(=O)CC1C[NH+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236926853 1305731310 /nfs/dbraw/zinc/73/13/10/1305731310.db2.gz LFWKUYGULHPEEW-UHFFFAOYSA-N 1 2 338.835 2.172 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3cc(C)n(C)n3)CC2)cc1 ZINC001138832000 1314672085 /nfs/dbraw/zinc/67/20/85/1314672085.db2.gz FWEQAVZISWASAW-UHFFFAOYSA-N 1 2 344.459 2.076 20 10 EECDLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139670054 1314757222 /nfs/dbraw/zinc/75/72/22/1314757222.db2.gz FUMPYPFPINNYPT-MRXNPFEDSA-N 1 2 343.475 2.418 20 10 EECDLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139670054 1314757224 /nfs/dbraw/zinc/75/72/24/1314757224.db2.gz FUMPYPFPINNYPT-MRXNPFEDSA-N 1 2 343.475 2.418 20 10 EECDLO Cc1ccccc1C(=O)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162282 1315051745 /nfs/dbraw/zinc/05/17/45/1315051745.db2.gz NICFZFDEKQYIMX-UHFFFAOYSA-N 1 2 326.396 2.364 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2nnn(CC)c21 ZINC001203670938 1321936696 /nfs/dbraw/zinc/93/66/96/1321936696.db2.gz GZJWTYFBLXMNGD-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2nnn(CC)c21 ZINC001203670938 1321936697 /nfs/dbraw/zinc/93/66/97/1321936697.db2.gz GZJWTYFBLXMNGD-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO CCC(=O)N1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862230066 1369526120 /nfs/dbraw/zinc/52/61/20/1369526120.db2.gz YOJKQFULCAVLRO-UHFFFAOYSA-N 1 2 325.403 2.475 20 10 EECDLO CCC(=O)N1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862230066 1369526122 /nfs/dbraw/zinc/52/61/22/1369526122.db2.gz YOJKQFULCAVLRO-UHFFFAOYSA-N 1 2 325.403 2.475 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1ccc(C)cc1O ZINC001140952387 1372726164 /nfs/dbraw/zinc/72/61/64/1372726164.db2.gz PTZCQIQXIAPMSD-QGZVFWFLSA-N 1 2 342.443 2.448 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1ccc(C)cc1O ZINC001140952387 1372726168 /nfs/dbraw/zinc/72/61/68/1372726168.db2.gz PTZCQIQXIAPMSD-QGZVFWFLSA-N 1 2 342.443 2.448 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)c(OC)c1 ZINC001141031217 1372745033 /nfs/dbraw/zinc/74/50/33/1372745033.db2.gz ZHEDBQFDAXFKPW-GOSISDBHSA-N 1 2 330.384 2.378 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccncc3)C2)c(OC)c1 ZINC001141031217 1372745041 /nfs/dbraw/zinc/74/50/41/1372745041.db2.gz ZHEDBQFDAXFKPW-GOSISDBHSA-N 1 2 330.384 2.378 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3c(O)cccc3Br)[C@@H]2C1 ZINC001140099966 757558535 /nfs/dbraw/zinc/55/85/35/757558535.db2.gz ABUARCPFXQZPFI-PSOPSSQASA-N 1 2 342.233 2.126 20 10 EECDLO CCNC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708157355 786753838 /nfs/dbraw/zinc/75/38/38/786753838.db2.gz MRJIHGQGJYHIIV-ZETCQYMHSA-N 1 2 335.629 2.422 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC12COC2 ZINC000824490122 788188193 /nfs/dbraw/zinc/18/81/93/788188193.db2.gz WONCYHXSTYOUMR-LLVKDONJSA-N 1 2 343.782 2.196 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC12COC2 ZINC000824490122 788188197 /nfs/dbraw/zinc/18/81/97/788188197.db2.gz WONCYHXSTYOUMR-LLVKDONJSA-N 1 2 343.782 2.196 20 10 EECDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(Br)cc1O ZINC000824862462 788325824 /nfs/dbraw/zinc/32/58/24/788325824.db2.gz IXDWWFAAWHYHQU-UHFFFAOYSA-N 1 2 336.251 2.021 20 10 EECDLO Cc1n[nH]c(CC[NH2+]Cc2cc(Br)cc(F)c2O)n1 ZINC000715719066 795484846 /nfs/dbraw/zinc/48/48/46/795484846.db2.gz PNKBAVSKKJYGAR-UHFFFAOYSA-N 1 2 329.173 2.053 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1cccc(OCC)c1O)C1CCOCC1 ZINC000789580727 808072481 /nfs/dbraw/zinc/07/24/81/808072481.db2.gz NTIMVJMIDOTIFR-INIZCTEOSA-N 1 2 337.416 2.239 20 10 EECDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nnnn1-c1ccccc1 ZINC000790962231 809006950 /nfs/dbraw/zinc/00/69/50/809006950.db2.gz IPOVYFRWDFGHKR-UHFFFAOYSA-N 1 2 333.754 2.450 20 10 EECDLO CCn1ncnc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000793345529 810258614 /nfs/dbraw/zinc/25/86/14/810258614.db2.gz DBOUCRWENUTKJQ-UHFFFAOYSA-N 1 2 344.419 2.486 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1OC ZINC000365667244 238239319 /nfs/dbraw/zinc/23/93/19/238239319.db2.gz WCFNZISYHCUBDI-UHFFFAOYSA-N 1 2 333.359 2.252 20 10 EECDLO COc1c(O)c(C[NH+]2CC(O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000365661931 533441204 /nfs/dbraw/zinc/44/12/04/533441204.db2.gz MIEKBZDTICSEQR-UHFFFAOYSA-N 1 2 348.330 2.152 20 10 EECDLO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153000613 462604574 /nfs/dbraw/zinc/60/45/74/462604574.db2.gz ZSNPPASTWDZWAO-OAHLLOKOSA-N 1 2 326.400 2.208 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(O)c1O ZINC000177685837 463767208 /nfs/dbraw/zinc/76/72/08/463767208.db2.gz NEJKEADBCLPXEE-CQSZACIVSA-N 1 2 341.411 2.320 20 10 EECDLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000291016606 464141320 /nfs/dbraw/zinc/14/13/20/464141320.db2.gz BUYALYKSHHSAHZ-CYBMUJFWSA-N 1 2 330.222 2.392 20 10 EECDLO COCC[C@@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000291016606 464141322 /nfs/dbraw/zinc/14/13/22/464141322.db2.gz BUYALYKSHHSAHZ-CYBMUJFWSA-N 1 2 330.222 2.392 20 10 EECDLO Oc1cccc(Cl)c1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000294911263 464646303 /nfs/dbraw/zinc/64/63/03/464646303.db2.gz AZYPLGKQDBTOEK-UHFFFAOYSA-N 1 2 336.823 2.186 20 10 EECDLO C[C@@H](N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)C(F)(F)F ZINC000176062129 464690477 /nfs/dbraw/zinc/69/04/77/464690477.db2.gz VHPWUVHTUCUWEV-SNVBAGLBSA-N 1 2 332.322 2.189 20 10 EECDLO COC(=O)c1occc1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000247824654 464708179 /nfs/dbraw/zinc/70/81/79/464708179.db2.gz JCTJFRGSDFNMHQ-UHFFFAOYSA-N 1 2 330.384 2.397 20 10 EECDLO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273359528 464712499 /nfs/dbraw/zinc/71/24/99/464712499.db2.gz DJWWDIGRNKBRAO-JTQLQIEISA-N 1 2 334.376 2.456 20 10 EECDLO CCN1CCC[N@H+](Cc2cc(Br)ccc2O)CC1=O ZINC000191539395 464819570 /nfs/dbraw/zinc/81/95/70/464819570.db2.gz PTCCAHWSCVYLRC-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO CCN1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1=O ZINC000191539395 464819577 /nfs/dbraw/zinc/81/95/77/464819577.db2.gz PTCCAHWSCVYLRC-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO COc1cc(N2CC[NH+](Cc3cc(C)on3)CC2)cc(OC)c1OC ZINC000183696413 464899319 /nfs/dbraw/zinc/89/93/19/464899319.db2.gz GDASLQNAISDCBO-UHFFFAOYSA-N 1 2 347.415 2.331 20 10 EECDLO CN(C)c1ccc(CN(C(=O)NCCn2cc[nH+]c2)C2CC2)cc1 ZINC000298879311 465531499 /nfs/dbraw/zinc/53/14/99/465531499.db2.gz OAQFMVRLIDICNR-UHFFFAOYSA-N 1 2 327.432 2.323 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000529666989 467892132 /nfs/dbraw/zinc/89/21/32/467892132.db2.gz PWUOWAHJNBZSDL-ZDUSSCGKSA-N 1 2 330.222 2.392 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000529666989 467892135 /nfs/dbraw/zinc/89/21/35/467892135.db2.gz PWUOWAHJNBZSDL-ZDUSSCGKSA-N 1 2 330.222 2.392 20 10 EECDLO COC[C@H](C)NC(=S)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726493002 576269162 /nfs/dbraw/zinc/26/91/62/576269162.db2.gz IPCPEDLNORJRAK-ZDUSSCGKSA-N 1 2 337.489 2.163 20 10 EECDLO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000758057493 577615291 /nfs/dbraw/zinc/61/52/91/577615291.db2.gz QHBJDMGQTPTCNL-UHFFFAOYSA-N 1 2 346.880 2.197 20 10 EECDLO COC(=O)C[N@H+](CCC(=O)OC(C)C)Cc1cc(Cl)ccc1O ZINC000744401282 577897248 /nfs/dbraw/zinc/89/72/48/577897248.db2.gz CSZYATMXEQRVDN-UHFFFAOYSA-N 1 2 343.807 2.362 20 10 EECDLO COC(=O)C[N@@H+](CCC(=O)OC(C)C)Cc1cc(Cl)ccc1O ZINC000744401282 577897249 /nfs/dbraw/zinc/89/72/49/577897249.db2.gz CSZYATMXEQRVDN-UHFFFAOYSA-N 1 2 343.807 2.362 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)cc1F ZINC000895982233 684795127 /nfs/dbraw/zinc/79/51/27/684795127.db2.gz ZOYPTMULHXOGOD-KRWDZBQOSA-N 1 2 345.422 2.312 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)cc1F ZINC000895982233 684795129 /nfs/dbraw/zinc/79/51/29/684795129.db2.gz ZOYPTMULHXOGOD-KRWDZBQOSA-N 1 2 345.422 2.312 20 10 EECDLO COc1ccc(O)c([C@@H](C)NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000896165134 684868955 /nfs/dbraw/zinc/86/89/55/684868955.db2.gz VXNNIEAUXWSSPZ-BDJLRTHQSA-N 1 2 344.415 2.382 20 10 EECDLO COc1ccc(O)c([C@@H](C)NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC000896165134 684868960 /nfs/dbraw/zinc/86/89/60/684868960.db2.gz VXNNIEAUXWSSPZ-BDJLRTHQSA-N 1 2 344.415 2.382 20 10 EECDLO CCc1ccc(C[NH+]2CC3(C2)CN([C@H](C)CC)C(=O)CO3)c(O)c1 ZINC001274653302 1205116863 /nfs/dbraw/zinc/11/68/63/1205116863.db2.gz IPIHJRICNKPBTK-CQSZACIVSA-N 1 2 332.444 2.166 20 10 EECDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275908656 1205581276 /nfs/dbraw/zinc/58/12/76/1205581276.db2.gz GFXAFFZLUGLUKE-IYBDPMFKSA-N 1 2 330.407 2.206 20 10 EECDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275908656 1205581278 /nfs/dbraw/zinc/58/12/78/1205581278.db2.gz GFXAFFZLUGLUKE-IYBDPMFKSA-N 1 2 330.407 2.206 20 10 EECDLO O=c1cccc(CN2CC3(C2)C[NH+](Cc2cccc(Cl)c2O)C3)[nH]1 ZINC001276380215 1249804955 /nfs/dbraw/zinc/80/49/55/1249804955.db2.gz KJOSTIRETZXMQD-UHFFFAOYSA-N 1 2 345.830 2.464 20 10 EECDLO C[N@@H+](Cc1c(O)cccc1Br)[C@@H]1CCCCNC1=O ZINC000862237669 1295764128 /nfs/dbraw/zinc/76/41/28/1295764128.db2.gz UEIVDXXKYMOZDU-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO O=C1c2ccc(O[C@H]3C[NH2+]CC3(F)F)cc2C(=O)c2ccc(O)cc21 ZINC001218236478 1297611666 /nfs/dbraw/zinc/61/16/66/1297611666.db2.gz QNZNWCAZIUMXBW-HNNXBMFYSA-N 1 2 345.301 2.154 20 10 EECDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cc(C)nn2C)C3)c(C)c1 ZINC001277022680 1300923058 /nfs/dbraw/zinc/92/30/58/1300923058.db2.gz QHRUTZMMKCMUML-UHFFFAOYSA-N 1 2 326.444 2.368 20 10 EECDLO O=C(NCc1c[nH]cn1)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277457561 1303231225 /nfs/dbraw/zinc/23/12/25/1303231225.db2.gz JTMDTNULWIHROD-YVEFUNNKSA-N 1 2 346.818 2.050 20 10 EECDLO O=C(NCc1c[nH]cn1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001277457561 1303231229 /nfs/dbraw/zinc/23/12/29/1303231229.db2.gz JTMDTNULWIHROD-YVEFUNNKSA-N 1 2 346.818 2.050 20 10 EECDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001231469602 1303809934 /nfs/dbraw/zinc/80/99/34/1303809934.db2.gz JRIHIAYGMPYIBK-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001231469602 1303809938 /nfs/dbraw/zinc/80/99/38/1303809938.db2.gz JRIHIAYGMPYIBK-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO CNC(=O)C1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233026838 1304333415 /nfs/dbraw/zinc/33/34/15/1304333415.db2.gz GJDNFZORXVRDSE-UHFFFAOYSA-N 1 2 345.212 2.252 20 10 EECDLO Oc1cc(O)c(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1O ZINC001233486481 1304478886 /nfs/dbraw/zinc/47/88/86/1304478886.db2.gz OEFBBNDCBJRONY-UHFFFAOYSA-N 1 2 335.791 2.174 20 10 EECDLO Oc1ccc(Br)cc1C[N@@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001236983628 1305759886 /nfs/dbraw/zinc/75/98/86/1305759886.db2.gz URDIYKAUHQBVNK-LLVKDONJSA-N 1 2 339.155 2.491 20 10 EECDLO Oc1ccc(Br)cc1C[N@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001236983628 1305759889 /nfs/dbraw/zinc/75/98/89/1305759889.db2.gz URDIYKAUHQBVNK-LLVKDONJSA-N 1 2 339.155 2.491 20 10 EECDLO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834899967 1314887702 /nfs/dbraw/zinc/88/77/02/1314887702.db2.gz LSUFJHBUMAKJCM-HTQZYQBOSA-N 1 2 333.201 2.469 20 10 EECDLO O=S(=O)(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141159436 1315051367 /nfs/dbraw/zinc/05/13/67/1315051367.db2.gz GQGHDRLXIFNSJX-INIZCTEOSA-N 1 2 333.409 2.146 20 10 EECDLO O=S(=O)(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159436 1315051370 /nfs/dbraw/zinc/05/13/70/1315051370.db2.gz GQGHDRLXIFNSJX-INIZCTEOSA-N 1 2 333.409 2.146 20 10 EECDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001276473186 1322177047 /nfs/dbraw/zinc/17/70/47/1322177047.db2.gz VWDYBXAKJGITCM-KBPBESRZSA-N 1 2 339.386 2.437 20 10 EECDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001276473186 1322177050 /nfs/dbraw/zinc/17/70/50/1322177050.db2.gz VWDYBXAKJGITCM-KBPBESRZSA-N 1 2 339.386 2.437 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1cccc(-c2nn[nH]n2)c1O ZINC001589957086 1349077879 /nfs/dbraw/zinc/07/78/79/1349077879.db2.gz RIKTZVROIQPUTQ-MAZHCROVSA-N 1 2 342.447 2.240 20 10 EECDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862391117 1369532948 /nfs/dbraw/zinc/53/29/48/1369532948.db2.gz JHOGHPWKDYXFTL-ZDUSSCGKSA-N 1 2 340.418 2.266 20 10 EECDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862391117 1369532951 /nfs/dbraw/zinc/53/29/51/1369532951.db2.gz JHOGHPWKDYXFTL-ZDUSSCGKSA-N 1 2 340.418 2.266 20 10 EECDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2c(O)cccc2Br)C1 ZINC000862377573 1369533162 /nfs/dbraw/zinc/53/31/62/1369533162.db2.gz SYVRWZRUKDXVFK-CYBMUJFWSA-N 1 2 346.196 2.488 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001138390320 1372389228 /nfs/dbraw/zinc/38/92/28/1372389228.db2.gz RAKKZNSIZFVOTP-MRXNPFEDSA-N 1 2 340.489 2.160 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001138390320 1372389236 /nfs/dbraw/zinc/38/92/36/1372389236.db2.gz RAKKZNSIZFVOTP-MRXNPFEDSA-N 1 2 340.489 2.160 20 10 EECDLO COCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001089798253 775798675 /nfs/dbraw/zinc/79/86/75/775798675.db2.gz YBTBEDWKAMMIPE-UHFFFAOYSA-N 1 2 332.448 2.198 20 10 EECDLO CCOC(=O)CCc1ccc[nH+]c1NCCc1cc(O)c(O)cc1O ZINC001168009744 781723193 /nfs/dbraw/zinc/72/31/93/781723193.db2.gz OUTUOEWMMWGNMX-UHFFFAOYSA-N 1 2 346.383 2.349 20 10 EECDLO C[N@H+](Cc1ccccc1S(N)(=O)=O)Cc1c(O)cccc1Cl ZINC000816626465 784138215 /nfs/dbraw/zinc/13/82/15/784138215.db2.gz JVTNHJUPHCAYNY-UHFFFAOYSA-N 1 2 340.832 2.325 20 10 EECDLO C[N@@H+](Cc1ccccc1S(N)(=O)=O)Cc1c(O)cccc1Cl ZINC000816626465 784138218 /nfs/dbraw/zinc/13/82/18/784138218.db2.gz JVTNHJUPHCAYNY-UHFFFAOYSA-N 1 2 340.832 2.325 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000816938618 784390725 /nfs/dbraw/zinc/39/07/25/784390725.db2.gz FODKENGEQWDKSY-AWEZNQCLSA-N 1 2 325.412 2.346 20 10 EECDLO CC[C@@]1(C)C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000135589644 463179523 /nfs/dbraw/zinc/17/95/23/463179523.db2.gz RIPBDUYBIQEVSY-IBGZPJMESA-N 1 2 333.476 2.212 20 10 EECDLO CC[C@@]1(C)C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000135589644 463179528 /nfs/dbraw/zinc/17/95/28/463179528.db2.gz RIPBDUYBIQEVSY-IBGZPJMESA-N 1 2 333.476 2.212 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170997332 463756644 /nfs/dbraw/zinc/75/66/44/463756644.db2.gz WVESMIAABWMYMS-UHFFFAOYSA-N 1 2 349.475 2.425 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170997332 463756649 /nfs/dbraw/zinc/75/66/49/463756649.db2.gz WVESMIAABWMYMS-UHFFFAOYSA-N 1 2 349.475 2.425 20 10 EECDLO Nc1ccc(CCNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000269144293 463890129 /nfs/dbraw/zinc/89/01/29/463890129.db2.gz AGFUCKXQGGVIDO-UHFFFAOYSA-N 1 2 339.439 2.074 20 10 EECDLO COc1ccc(N2CCN(c3nc[nH+]c(N)c3Cl)CC2)cc1F ZINC000277671397 463924860 /nfs/dbraw/zinc/92/48/60/463924860.db2.gz DRYAREXJURASKE-UHFFFAOYSA-N 1 2 337.786 2.187 20 10 EECDLO COc1ccc(N2CCN(c3[nH+]cnc(N)c3Cl)CC2)cc1F ZINC000277671397 463924864 /nfs/dbraw/zinc/92/48/64/463924864.db2.gz DRYAREXJURASKE-UHFFFAOYSA-N 1 2 337.786 2.187 20 10 EECDLO CC[C@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1cccc(Cl)c1O ZINC000287579092 463933071 /nfs/dbraw/zinc/93/30/71/463933071.db2.gz HHNZVQYAELZPSD-INIZCTEOSA-N 1 2 339.867 2.250 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278854828 463998915 /nfs/dbraw/zinc/99/89/15/463998915.db2.gz LIJQOIATTSQQLT-GFCCVEGCSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278854828 463998920 /nfs/dbraw/zinc/99/89/20/463998920.db2.gz LIJQOIATTSQQLT-GFCCVEGCSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278854828 463998925 /nfs/dbraw/zinc/99/89/25/463998925.db2.gz LIJQOIATTSQQLT-GFCCVEGCSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278854828 463998931 /nfs/dbraw/zinc/99/89/31/463998931.db2.gz LIJQOIATTSQQLT-GFCCVEGCSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000278854828 463998937 /nfs/dbraw/zinc/99/89/37/463998937.db2.gz LIJQOIATTSQQLT-GFCCVEGCSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000278854828 463998944 /nfs/dbraw/zinc/99/89/44/463998944.db2.gz LIJQOIATTSQQLT-GFCCVEGCSA-N 1 2 347.375 2.115 20 10 EECDLO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273517965 464719619 /nfs/dbraw/zinc/71/96/19/464719619.db2.gz SXLCWBHZUBGTDF-KCJUWKMLSA-N 1 2 347.293 2.114 20 10 EECDLO COc1cc(Cl)cc(C[NH+]2CCN(C(=O)C(C)C)CC2)c1O ZINC000273744773 464724340 /nfs/dbraw/zinc/72/43/40/464724340.db2.gz MPGQASOEDCPMRE-UHFFFAOYSA-N 1 2 326.824 2.354 20 10 EECDLO COc1ccc([N@H+](CCCN2C(=O)CNC2=O)[C@H](C)C2CC2)cc1 ZINC000109773881 533987265 /nfs/dbraw/zinc/98/72/65/533987265.db2.gz GBQUYNNMQXPNBP-CYBMUJFWSA-N 1 2 331.416 2.242 20 10 EECDLO COc1ccc([N@@H+](CCCN2C(=O)CNC2=O)[C@H](C)C2CC2)cc1 ZINC000109773881 533987272 /nfs/dbraw/zinc/98/72/72/533987272.db2.gz GBQUYNNMQXPNBP-CYBMUJFWSA-N 1 2 331.416 2.242 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)CCCn3cccn3)CC2)cc1 ZINC000726563273 576277294 /nfs/dbraw/zinc/27/72/94/576277294.db2.gz ZDSLHMANXLQUGR-UHFFFAOYSA-N 1 2 342.443 2.457 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)NCCNc1cccc[nH+]1 ZINC000734653743 577316221 /nfs/dbraw/zinc/31/62/21/577316221.db2.gz JFUIRVXGGRZYGQ-UHFFFAOYSA-N 1 2 327.432 2.367 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3c[nH]c(=S)[nH]3)CC2)cc1 ZINC000776344702 577457971 /nfs/dbraw/zinc/45/79/71/577457971.db2.gz XJBIFNROEJLKKQ-UHFFFAOYSA-N 1 2 332.429 2.106 20 10 EECDLO Cc1nc(C2([NH2+]Cc3cc4c(cc3O)OC[C@H]4O)CCCCC2)no1 ZINC000768453353 577556088 /nfs/dbraw/zinc/55/60/88/577556088.db2.gz VMGBGYRQLOAXJA-OAHLLOKOSA-N 1 2 345.399 2.459 20 10 EECDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769467533 577578594 /nfs/dbraw/zinc/57/85/94/577578594.db2.gz XUUGEUYHPAJDRX-MRXNPFEDSA-N 1 2 337.416 2.333 20 10 EECDLO CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769467533 577578595 /nfs/dbraw/zinc/57/85/95/577578595.db2.gz XUUGEUYHPAJDRX-MRXNPFEDSA-N 1 2 337.416 2.333 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N(C)CC3(O)CCC3)CC2)cc1 ZINC000760108658 577657154 /nfs/dbraw/zinc/65/71/54/577657154.db2.gz IVFUXBWYGFGWHG-UHFFFAOYSA-N 1 2 347.459 2.220 20 10 EECDLO CN(C)c1cc(NCc2ccc(N3CCC(O)CC3)cc2)[nH+]cn1 ZINC000894612485 682994902 /nfs/dbraw/zinc/99/49/02/682994902.db2.gz JKTJFZJWFCZZFV-UHFFFAOYSA-N 1 2 327.432 2.116 20 10 EECDLO CN(C)c1cc(NCc2ccc(N3CCC(O)CC3)cc2)nc[nH+]1 ZINC000894612485 682994905 /nfs/dbraw/zinc/99/49/05/682994905.db2.gz JKTJFZJWFCZZFV-UHFFFAOYSA-N 1 2 327.432 2.116 20 10 EECDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876779981 1199771215 /nfs/dbraw/zinc/77/12/15/1199771215.db2.gz PWNCSMQIXXCVAL-OAHLLOKOSA-N 1 2 334.460 2.420 20 10 EECDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876779981 1199771218 /nfs/dbraw/zinc/77/12/18/1199771218.db2.gz PWNCSMQIXXCVAL-OAHLLOKOSA-N 1 2 334.460 2.420 20 10 EECDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825974724 1199952676 /nfs/dbraw/zinc/95/26/76/1199952676.db2.gz DFJJRNNJKNIKHH-SNVBAGLBSA-N 1 2 348.262 2.021 20 10 EECDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825974724 1199952680 /nfs/dbraw/zinc/95/26/80/1199952680.db2.gz DFJJRNNJKNIKHH-SNVBAGLBSA-N 1 2 348.262 2.021 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(C)nc(C)n3)CC2)c(OC)c1 ZINC000879462320 1201081338 /nfs/dbraw/zinc/08/13/38/1201081338.db2.gz OFAILGUZQRRMAQ-UHFFFAOYSA-N 1 2 342.443 2.433 20 10 EECDLO Oc1cc(F)cc(F)c1CN1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001275307046 1205305029 /nfs/dbraw/zinc/30/50/29/1205305029.db2.gz WKAPSGMQZLWNPH-UHFFFAOYSA-N 1 2 334.370 2.101 20 10 EECDLO Oc1cc(F)cc(F)c1CN1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001275307046 1205305031 /nfs/dbraw/zinc/30/50/31/1205305031.db2.gz WKAPSGMQZLWNPH-UHFFFAOYSA-N 1 2 334.370 2.101 20 10 EECDLO O=C(Cc1ccsc1)N1CC2(C1)C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001275821023 1205549833 /nfs/dbraw/zinc/54/98/33/1205549833.db2.gz GJZYZFMOARLCQR-UHFFFAOYSA-N 1 2 344.436 2.046 20 10 EECDLO CC1(C)C[N@H+](Cc2c(O)cccc2Br)C[C@@H](CO)O1 ZINC000862396385 1295824814 /nfs/dbraw/zinc/82/48/14/1295824814.db2.gz NTXKEIOXMIKEPU-JTQLQIEISA-N 1 2 330.222 2.126 20 10 EECDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)C[C@@H](CO)O1 ZINC000862396385 1295824839 /nfs/dbraw/zinc/82/48/39/1295824839.db2.gz NTXKEIOXMIKEPU-JTQLQIEISA-N 1 2 330.222 2.126 20 10 EECDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)c(C)c1 ZINC001277018940 1300886334 /nfs/dbraw/zinc/88/63/34/1300886334.db2.gz RFCLPNMTBJPGEF-UHFFFAOYSA-N 1 2 325.412 2.426 20 10 EECDLO C[C@@H](C[NH+](C)C)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229192594 1302664774 /nfs/dbraw/zinc/66/47/74/1302664774.db2.gz PGKOFXVRUUROIT-NSHDSACASA-N 1 2 325.364 2.497 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233140396 1304373781 /nfs/dbraw/zinc/37/37/81/1304373781.db2.gz HZYKMIDIKKNWKF-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(Cl)c1 ZINC001236795086 1305679909 /nfs/dbraw/zinc/67/99/09/1305679909.db2.gz IMQWXKDBUOTLFI-FUEDEBDSSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(Cl)c1 ZINC001236795086 1305679918 /nfs/dbraw/zinc/67/99/18/1305679918.db2.gz IMQWXKDBUOTLFI-FUEDEBDSSA-N 1 2 327.808 2.026 20 10 EECDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)cc(F)c2O)O1 ZINC001237620351 1306008124 /nfs/dbraw/zinc/00/81/24/1306008124.db2.gz XIXCKWUZMDHMPB-MGPQQGTHSA-N 1 2 342.798 2.005 20 10 EECDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)cc(F)c2O)O1 ZINC001237620351 1306008136 /nfs/dbraw/zinc/00/81/36/1306008136.db2.gz XIXCKWUZMDHMPB-MGPQQGTHSA-N 1 2 342.798 2.005 20 10 EECDLO CN(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237622826 1306010482 /nfs/dbraw/zinc/01/04/82/1306010482.db2.gz BRAZULQZPRENQX-UHFFFAOYSA-N 1 2 329.803 2.420 20 10 EECDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)c(O)c(OC)c1 ZINC001237679709 1306043354 /nfs/dbraw/zinc/04/33/54/1306043354.db2.gz YMYSJYDEAXWGCN-KRWDZBQOSA-N 1 2 330.384 2.378 20 10 EECDLO COc1cc(C[N@H+]2CCO[C@H](c3ccccn3)C2)c(O)c(OC)c1 ZINC001237679709 1306043366 /nfs/dbraw/zinc/04/33/66/1306043366.db2.gz YMYSJYDEAXWGCN-KRWDZBQOSA-N 1 2 330.384 2.378 20 10 EECDLO C[C@@H]1COCC[N@H+](Cc2cccc(I)c2O)C1 ZINC001237778284 1306085695 /nfs/dbraw/zinc/08/56/95/1306085695.db2.gz WDGRBTUKQYGUSX-JTQLQIEISA-N 1 2 347.196 2.465 20 10 EECDLO C[C@@H]1COCC[N@@H+](Cc2cccc(I)c2O)C1 ZINC001237778284 1306085706 /nfs/dbraw/zinc/08/57/06/1306085706.db2.gz WDGRBTUKQYGUSX-JTQLQIEISA-N 1 2 347.196 2.465 20 10 EECDLO Oc1cnc(N2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)nc1 ZINC001237939849 1306155590 /nfs/dbraw/zinc/15/55/90/1306155590.db2.gz HFNPGJHRBHOAHG-UHFFFAOYSA-N 1 2 338.770 2.003 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001139126200 1314707677 /nfs/dbraw/zinc/70/76/77/1314707677.db2.gz ADAYYWOFKRXSRT-NSHDSACASA-N 1 2 339.338 2.257 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001139126200 1314707681 /nfs/dbraw/zinc/70/76/81/1314707681.db2.gz ADAYYWOFKRXSRT-NSHDSACASA-N 1 2 339.338 2.257 20 10 EECDLO Oc1cccc(Br)c1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001140101300 1314811387 /nfs/dbraw/zinc/81/13/87/1314811387.db2.gz QLFUQZRXUCTSMW-JTQLQIEISA-N 1 2 329.213 2.383 20 10 EECDLO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580841 1314909418 /nfs/dbraw/zinc/90/94/18/1314909418.db2.gz HTWYIBNNAAEHTR-NVXWUHKLSA-N 1 2 341.354 2.215 20 10 EECDLO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580841 1314909421 /nfs/dbraw/zinc/90/94/21/1314909421.db2.gz HTWYIBNNAAEHTR-NVXWUHKLSA-N 1 2 341.354 2.215 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Br)c(F)cc1O ZINC000840833073 1315419007 /nfs/dbraw/zinc/41/90/07/1315419007.db2.gz IOCBJFXEXBWDNU-SFYZADRCSA-N 1 2 331.185 2.081 20 10 EECDLO COc1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc(O)c1O ZINC001204341822 1322117922 /nfs/dbraw/zinc/11/79/22/1322117922.db2.gz GVTKBWXXVUQPAQ-UHFFFAOYSA-N 1 2 330.384 2.134 20 10 EECDLO C[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)N1CCCCC1 ZINC001589959151 1349080702 /nfs/dbraw/zinc/08/07/02/1349080702.db2.gz NQXLHSUVODZKAF-CHWSQXEVSA-N 1 2 330.436 2.097 20 10 EECDLO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978783 1349090979 /nfs/dbraw/zinc/09/09/79/1349090979.db2.gz QDHDIAVHKKLFII-GFCCVEGCSA-N 1 2 330.436 2.097 20 10 EECDLO CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590462732 1349338389 /nfs/dbraw/zinc/33/83/89/1349338389.db2.gz RZEYOSDNLJYBJN-WFASDCNBSA-N 1 2 332.452 2.343 20 10 EECDLO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129864 1372463607 /nfs/dbraw/zinc/46/36/07/1372463607.db2.gz IGBONFWHWBFLJN-GOSISDBHSA-N 1 2 331.368 2.192 20 10 EECDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129864 1372463612 /nfs/dbraw/zinc/46/36/12/1372463612.db2.gz IGBONFWHWBFLJN-GOSISDBHSA-N 1 2 331.368 2.192 20 10 EECDLO CCn1ncc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000838906381 1372872171 /nfs/dbraw/zinc/87/21/71/1372872171.db2.gz LQXZHHXPORPLBN-ZIAGYGMSSA-N 1 2 347.438 2.341 20 10 EECDLO COCC[NH+]1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893916775 780304446 /nfs/dbraw/zinc/30/44/46/780304446.db2.gz MGSHXIVXWVBIAR-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO CCN(CC)C(=O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715803177 795537031 /nfs/dbraw/zinc/53/70/31/795537031.db2.gz FWPUSPWWKQICCR-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000093756405 463046548 /nfs/dbraw/zinc/04/65/48/463046548.db2.gz HLCPFCKPIJOSDU-UHFFFAOYSA-N 1 2 340.210 2.351 20 10 EECDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000093756405 463046550 /nfs/dbraw/zinc/04/65/50/463046550.db2.gz HLCPFCKPIJOSDU-UHFFFAOYSA-N 1 2 340.210 2.351 20 10 EECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccccn3)CC2)c1O ZINC000126770888 463662170 /nfs/dbraw/zinc/66/21/70/463662170.db2.gz GKSDDKWRWLZNDG-UHFFFAOYSA-N 1 2 329.375 2.451 20 10 EECDLO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1O ZINC000184921379 463718506 /nfs/dbraw/zinc/71/85/06/463718506.db2.gz IETBIVAZRLTJMH-MRVPVSSYSA-N 1 2 341.260 2.289 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170997194 463756620 /nfs/dbraw/zinc/75/66/20/463756620.db2.gz HRQDREKMKAWCSC-UHFFFAOYSA-N 1 2 349.475 2.425 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170997194 463756626 /nfs/dbraw/zinc/75/66/26/463756626.db2.gz HRQDREKMKAWCSC-UHFFFAOYSA-N 1 2 349.475 2.425 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1O ZINC000287765722 463992805 /nfs/dbraw/zinc/99/28/05/463992805.db2.gz REFRFIFIJVBBDX-FZMZJTMJSA-N 1 2 346.880 2.368 20 10 EECDLO CC[N@H+](Cc1cnn(C)n1)Cc1cc(Br)ccc1O ZINC000289720505 464093052 /nfs/dbraw/zinc/09/30/52/464093052.db2.gz GULNECAZDWOBRY-UHFFFAOYSA-N 1 2 325.210 2.305 20 10 EECDLO CC[N@@H+](Cc1cnn(C)n1)Cc1cc(Br)ccc1O ZINC000289720505 464093057 /nfs/dbraw/zinc/09/30/57/464093057.db2.gz GULNECAZDWOBRY-UHFFFAOYSA-N 1 2 325.210 2.305 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)cc1F ZINC000179711516 464176540 /nfs/dbraw/zinc/17/65/40/464176540.db2.gz FGKHARHMHMZXRH-INIZCTEOSA-N 1 2 337.439 2.009 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)cc1F ZINC000179711516 464176545 /nfs/dbraw/zinc/17/65/45/464176545.db2.gz FGKHARHMHMZXRH-INIZCTEOSA-N 1 2 337.439 2.009 20 10 EECDLO COCCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(OC)c(OC)c1 ZINC000493857851 467998279 /nfs/dbraw/zinc/99/82/79/467998279.db2.gz QXIVYZSGELQROC-DAXSKMNVSA-N 1 2 331.372 2.120 20 10 EECDLO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727172807 576409963 /nfs/dbraw/zinc/40/99/63/576409963.db2.gz MCEXXPHDVNGFGV-OAHLLOKOSA-N 1 2 326.444 2.247 20 10 EECDLO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727172807 576409964 /nfs/dbraw/zinc/40/99/64/576409964.db2.gz MCEXXPHDVNGFGV-OAHLLOKOSA-N 1 2 326.444 2.247 20 10 EECDLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(N(C)C)cc1 ZINC000773312424 577332179 /nfs/dbraw/zinc/33/21/79/577332179.db2.gz CJWXVJRZYYJYAR-HNNXBMFYSA-N 1 2 348.491 2.224 20 10 EECDLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(N(C)C)cc1 ZINC000773312424 577332180 /nfs/dbraw/zinc/33/21/80/577332180.db2.gz CJWXVJRZYYJYAR-HNNXBMFYSA-N 1 2 348.491 2.224 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NO[C@@H]3CCCCO3)CC2)cc1 ZINC000776131786 577452698 /nfs/dbraw/zinc/45/26/98/577452698.db2.gz LQWVSNCNQDIHSF-QGZVFWFLSA-N 1 2 349.431 2.421 20 10 EECDLO COc1cc(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768466671 577556494 /nfs/dbraw/zinc/55/64/94/577556494.db2.gz UIHVOVMCRITIQV-INIZCTEOSA-N 1 2 337.416 2.252 20 10 EECDLO COc1cc(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768466671 577556495 /nfs/dbraw/zinc/55/64/95/577556495.db2.gz UIHVOVMCRITIQV-INIZCTEOSA-N 1 2 337.416 2.252 20 10 EECDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2c(O)cccc2F)C1=O ZINC001273266460 1197890934 /nfs/dbraw/zinc/89/09/34/1197890934.db2.gz YTWKMIWMVLFGDP-KPZWWZAWSA-N 1 2 334.391 2.076 20 10 EECDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2c(O)cccc2F)C1=O ZINC001273266460 1197890942 /nfs/dbraw/zinc/89/09/42/1197890942.db2.gz YTWKMIWMVLFGDP-KPZWWZAWSA-N 1 2 334.391 2.076 20 10 EECDLO CN1C[C@@]2(F)C[N@H+](Cc3ccc4ccccc4c3O)C[C@@]2(F)C1=O ZINC001274226301 1204481825 /nfs/dbraw/zinc/48/18/25/1204481825.db2.gz VEZJLLMQUBVFFT-QZTJIDSGSA-N 1 2 332.350 2.250 20 10 EECDLO CN1C[C@@]2(F)C[N@@H+](Cc3ccc4ccccc4c3O)C[C@@]2(F)C1=O ZINC001274226301 1204481826 /nfs/dbraw/zinc/48/18/26/1204481826.db2.gz VEZJLLMQUBVFFT-QZTJIDSGSA-N 1 2 332.350 2.250 20 10 EECDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836637 1205180181 /nfs/dbraw/zinc/18/01/81/1205180181.db2.gz MJXXXUIESQGIIQ-XIKOKIGWSA-N 1 2 334.416 2.169 20 10 EECDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274836637 1205180184 /nfs/dbraw/zinc/18/01/84/1205180184.db2.gz MJXXXUIESQGIIQ-XIKOKIGWSA-N 1 2 334.416 2.169 20 10 EECDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275913147 1205583077 /nfs/dbraw/zinc/58/30/77/1205583077.db2.gz JEXMZPTZIQDUQZ-TXEJJXNPSA-N 1 2 347.312 2.062 20 10 EECDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275913147 1205583078 /nfs/dbraw/zinc/58/30/78/1205583078.db2.gz JEXMZPTZIQDUQZ-TXEJJXNPSA-N 1 2 347.312 2.062 20 10 EECDLO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ncco1 ZINC000924727457 1206025064 /nfs/dbraw/zinc/02/50/64/1206025064.db2.gz WDURGKDWGGQGFM-DZGCQCFKSA-N 1 2 328.416 2.227 20 10 EECDLO COC(=O)c1cnoc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795977091 1215233634 /nfs/dbraw/zinc/23/36/34/1215233634.db2.gz XGHSSDBJDLFONV-ZDUSSCGKSA-N 1 2 345.399 2.149 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1F ZINC000800534366 1234273675 /nfs/dbraw/zinc/27/36/75/1234273675.db2.gz LWXBSYYKVHBDAG-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1F ZINC000800534366 1234273679 /nfs/dbraw/zinc/27/36/79/1234273679.db2.gz LWXBSYYKVHBDAG-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC001231911366 1303944366 /nfs/dbraw/zinc/94/43/66/1303944366.db2.gz BGHDDYBNWFMQHP-GFCCVEGCSA-N 1 2 325.792 2.390 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC001231911366 1303944370 /nfs/dbraw/zinc/94/43/70/1303944370.db2.gz BGHDDYBNWFMQHP-GFCCVEGCSA-N 1 2 325.792 2.390 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261914 1304056967 /nfs/dbraw/zinc/05/69/67/1304056967.db2.gz UHYPRNDRPMOCJJ-LLVKDONJSA-N 1 2 341.791 2.095 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261914 1304056973 /nfs/dbraw/zinc/05/69/73/1304056973.db2.gz UHYPRNDRPMOCJJ-LLVKDONJSA-N 1 2 341.791 2.095 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3c(OC)cncc3OC)CC2)cc1 ZINC001232500820 1304150357 /nfs/dbraw/zinc/15/03/57/1304150357.db2.gz OCKLBISIEBUEKS-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014312 1304328693 /nfs/dbraw/zinc/32/86/93/1304328693.db2.gz OUAPAULWFINOGN-UHFFFAOYSA-N 1 2 338.404 2.246 20 10 EECDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014312 1304328698 /nfs/dbraw/zinc/32/86/98/1304328698.db2.gz OUAPAULWFINOGN-UHFFFAOYSA-N 1 2 338.404 2.246 20 10 EECDLO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233028238 1304334312 /nfs/dbraw/zinc/33/43/12/1304334312.db2.gz LEYYJTZZQLJOHM-QMMMGPOBSA-N 1 2 332.169 2.289 20 10 EECDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233028238 1304334313 /nfs/dbraw/zinc/33/43/13/1304334313.db2.gz LEYYJTZZQLJOHM-QMMMGPOBSA-N 1 2 332.169 2.289 20 10 EECDLO CCOC(=O)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233415961 1304462001 /nfs/dbraw/zinc/46/20/01/1304462001.db2.gz QBMBXYILEYIWNK-UHFFFAOYSA-N 1 2 346.349 2.092 20 10 EECDLO CC(C)N1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1=O ZINC001237060770 1305783238 /nfs/dbraw/zinc/78/32/38/1305783238.db2.gz YEQKTONUJSVHBX-UHFFFAOYSA-N 1 2 346.349 2.386 20 10 EECDLO CC(C)N1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1=O ZINC001237060770 1305783245 /nfs/dbraw/zinc/78/32/45/1305783245.db2.gz YEQKTONUJSVHBX-UHFFFAOYSA-N 1 2 346.349 2.386 20 10 EECDLO CC(C)(C)NC(=O)c1[nH]nc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001278255385 1308920824 /nfs/dbraw/zinc/92/08/24/1308920824.db2.gz SHISOUKAYAKCDB-UHFFFAOYSA-N 1 2 346.406 2.341 20 10 EECDLO CC(C)(C)NC(=O)c1[nH]nc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001278255385 1308920825 /nfs/dbraw/zinc/92/08/25/1308920825.db2.gz SHISOUKAYAKCDB-UHFFFAOYSA-N 1 2 346.406 2.341 20 10 EECDLO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589950548 1349075139 /nfs/dbraw/zinc/07/51/39/1349075139.db2.gz UDDVBRKYDPMJBW-MKBNYLNASA-N 1 2 339.399 2.345 20 10 EECDLO CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590462892 1349338248 /nfs/dbraw/zinc/33/82/48/1349338248.db2.gz GMEFPCSPXJNGOS-HUUCEWRRSA-N 1 2 333.436 2.410 20 10 EECDLO CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465685 1349341086 /nfs/dbraw/zinc/34/10/86/1349341086.db2.gz ICKSYQXIQXUFML-DOMZBBRYSA-N 1 2 331.420 2.430 20 10 EECDLO CCc1cnc(CC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)s1 ZINC001604537710 1350956958 /nfs/dbraw/zinc/95/69/58/1350956958.db2.gz VAWWMRVZNCQNHY-JTQLQIEISA-N 1 2 344.444 2.485 20 10 EECDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829092749 1372268146 /nfs/dbraw/zinc/26/81/46/1372268146.db2.gz NDOJAJUWZSPZMU-OALUTQOASA-N 1 2 346.471 2.484 20 10 EECDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829092749 1372268149 /nfs/dbraw/zinc/26/81/49/1372268149.db2.gz NDOJAJUWZSPZMU-OALUTQOASA-N 1 2 346.471 2.484 20 10 EECDLO CC[N@H+](CC(=O)N(C)C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000893942999 780325309 /nfs/dbraw/zinc/32/53/09/780325309.db2.gz NEPBGDXKNQECIC-UHFFFAOYSA-N 1 2 349.406 2.014 20 10 EECDLO CC[N@@H+](CC(=O)N(C)C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000893942999 780325314 /nfs/dbraw/zinc/32/53/14/780325314.db2.gz NEPBGDXKNQECIC-UHFFFAOYSA-N 1 2 349.406 2.014 20 10 EECDLO COc1cc(N2CC[NH+](Cc3cc(C)no3)CC2)cc(OC)c1OC ZINC000183706072 781617314 /nfs/dbraw/zinc/61/73/14/781617314.db2.gz XLVSETIEWDYXPV-UHFFFAOYSA-N 1 2 347.415 2.331 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1O ZINC000817413417 784765737 /nfs/dbraw/zinc/76/57/37/784765737.db2.gz XNHZBRWVQRFYFT-CYBMUJFWSA-N 1 2 344.249 2.435 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)c1O ZINC000817413417 784765742 /nfs/dbraw/zinc/76/57/42/784765742.db2.gz XNHZBRWVQRFYFT-CYBMUJFWSA-N 1 2 344.249 2.435 20 10 EECDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(=O)NC ZINC000708147320 786752757 /nfs/dbraw/zinc/75/27/57/786752757.db2.gz XYSPDCLHSJIVST-JTQLQIEISA-N 1 2 335.629 2.422 20 10 EECDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000824779639 788298369 /nfs/dbraw/zinc/29/83/69/788298369.db2.gz XXDJIJFJCDDVEC-KRWDZBQOSA-N 1 2 342.443 2.226 20 10 EECDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844386113 789055319 /nfs/dbraw/zinc/05/53/19/789055319.db2.gz MCRNXDBDZUDLIX-INIZCTEOSA-N 1 2 333.476 2.258 20 10 EECDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844386113 789055321 /nfs/dbraw/zinc/05/53/21/789055321.db2.gz MCRNXDBDZUDLIX-INIZCTEOSA-N 1 2 333.476 2.258 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000846107333 790052973 /nfs/dbraw/zinc/05/29/73/790052973.db2.gz HRGGRAKKSVJCLA-DJSGYFEHSA-N 1 2 325.380 2.368 20 10 EECDLO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715803191 795536590 /nfs/dbraw/zinc/53/65/90/795536590.db2.gz GEMNNAVSYXIRRV-UHFFFAOYSA-N 1 2 333.201 2.156 20 10 EECDLO CCN1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000715829043 795538031 /nfs/dbraw/zinc/53/80/31/795538031.db2.gz REEQXRXALGOMDI-JTQLQIEISA-N 1 2 331.185 2.004 20 10 EECDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000007489378 462738937 /nfs/dbraw/zinc/73/89/37/462738937.db2.gz CRFKUPBEUVEVPB-UHFFFAOYSA-N 1 2 330.384 2.397 20 10 EECDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3nccs3)CC2)cc1 ZINC000053774289 463188577 /nfs/dbraw/zinc/18/85/77/463188577.db2.gz ZTUOYZDUGXPERO-UHFFFAOYSA-N 1 2 346.456 2.303 20 10 EECDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3nccs3)CC2)cc1 ZINC000053774289 463188582 /nfs/dbraw/zinc/18/85/82/463188582.db2.gz ZTUOYZDUGXPERO-UHFFFAOYSA-N 1 2 346.456 2.303 20 10 EECDLO CCCn1c(C)nnc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179196905 464079009 /nfs/dbraw/zinc/07/90/09/464079009.db2.gz PJUAHNQWLVHFMY-UHFFFAOYSA-N 1 2 343.475 2.465 20 10 EECDLO CCCn1c(C)nnc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179196905 464079011 /nfs/dbraw/zinc/07/90/11/464079011.db2.gz PJUAHNQWLVHFMY-UHFFFAOYSA-N 1 2 343.475 2.465 20 10 EECDLO CCn1nc(C)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000294593792 464547832 /nfs/dbraw/zinc/54/78/32/464547832.db2.gz SMICTYPRZBAYPO-UHFFFAOYSA-N 1 2 329.448 2.075 20 10 EECDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000294593792 464547836 /nfs/dbraw/zinc/54/78/36/464547836.db2.gz SMICTYPRZBAYPO-UHFFFAOYSA-N 1 2 329.448 2.075 20 10 EECDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368621787 466689635 /nfs/dbraw/zinc/68/96/35/466689635.db2.gz KHGQALXUNRZFAL-OLZOCXBDSA-N 1 2 343.807 2.207 20 10 EECDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368621787 466689640 /nfs/dbraw/zinc/68/96/40/466689640.db2.gz KHGQALXUNRZFAL-OLZOCXBDSA-N 1 2 343.807 2.207 20 10 EECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000725845097 576064681 /nfs/dbraw/zinc/06/46/81/576064681.db2.gz KKEYWMJXNKEBNA-UHFFFAOYSA-N 1 2 339.355 2.230 20 10 EECDLO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000729512623 576662191 /nfs/dbraw/zinc/66/21/91/576662191.db2.gz NMNDTGPUMNSZTD-QGZVFWFLSA-N 1 2 346.519 2.127 20 10 EECDLO COc1cccc(C[N@@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1O ZINC000765682069 577505073 /nfs/dbraw/zinc/50/50/73/577505073.db2.gz LZYCUQIXSFQCGZ-UHFFFAOYSA-N 1 2 330.359 2.389 20 10 EECDLO COc1cccc(C[N@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1O ZINC000765682069 577505074 /nfs/dbraw/zinc/50/50/74/577505074.db2.gz LZYCUQIXSFQCGZ-UHFFFAOYSA-N 1 2 330.359 2.389 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NOCC(F)(F)F)CC2)cc1 ZINC000765985051 577510636 /nfs/dbraw/zinc/51/06/36/577510636.db2.gz JFASHMOSQJUVCC-UHFFFAOYSA-N 1 2 347.337 2.457 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000761226453 577679785 /nfs/dbraw/zinc/67/97/85/577679785.db2.gz QFUXIHGXIDFUHR-UHFFFAOYSA-N 1 2 340.761 2.436 20 10 EECDLO COC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756779239 577850117 /nfs/dbraw/zinc/85/01/17/577850117.db2.gz RRKAHAQWBCWXBG-RKDXNWHRSA-N 1 2 336.201 2.342 20 10 EECDLO COc1cccc(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)c1O ZINC000162480985 684663088 /nfs/dbraw/zinc/66/30/88/684663088.db2.gz SUDCQQMPQQAGBA-UHFFFAOYSA-N 1 2 330.388 2.492 20 10 EECDLO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cn[nH]c3C)CC2)cc1 ZINC000779036788 1208458977 /nfs/dbraw/zinc/45/89/77/1208458977.db2.gz VLKLWBXTJLLLPK-OAHLLOKOSA-N 1 2 343.475 2.200 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)cc1F ZINC000084866791 1211581217 /nfs/dbraw/zinc/58/12/17/1211581217.db2.gz HFNXKOZTGPFIIL-CYBMUJFWSA-N 1 2 337.439 2.260 20 10 EECDLO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[NH2+]CC3(F)F)ccc(O)c21 ZINC001218233768 1297608788 /nfs/dbraw/zinc/60/87/88/1297608788.db2.gz PSVDSXZCMJPQQF-CYBMUJFWSA-N 1 2 345.301 2.154 20 10 EECDLO O=C1OCCCN1C1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233336734 1304436353 /nfs/dbraw/zinc/43/63/53/1304436353.db2.gz XHBGPHLABZUVGK-UHFFFAOYSA-N 1 2 326.343 2.477 20 10 EECDLO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001233483003 1304476452 /nfs/dbraw/zinc/47/64/52/1304476452.db2.gz KOZSYLAEAIHRST-NSHDSACASA-N 1 2 338.404 2.245 20 10 EECDLO C[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001233483003 1304476454 /nfs/dbraw/zinc/47/64/54/1304476454.db2.gz KOZSYLAEAIHRST-NSHDSACASA-N 1 2 338.404 2.245 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c(Cl)c1 ZINC001236804772 1305681838 /nfs/dbraw/zinc/68/18/38/1305681838.db2.gz YWIUPUAFPMVXGN-UHFFFAOYSA-N 1 2 340.851 2.349 20 10 EECDLO COc1cc(O)c(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c(Cl)c1 ZINC001236809820 1305685329 /nfs/dbraw/zinc/68/53/29/1305685329.db2.gz YONFUZMLPQHUTB-GFCCVEGCSA-N 1 2 337.807 2.018 20 10 EECDLO COc1cc(O)c(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c(Cl)c1 ZINC001236809820 1305685336 /nfs/dbraw/zinc/68/53/36/1305685336.db2.gz YONFUZMLPQHUTB-GFCCVEGCSA-N 1 2 337.807 2.018 20 10 EECDLO C[NH+]1CCN(c2ccc(CN3CCCO3)cc2Br)CC1 ZINC001237089398 1305791416 /nfs/dbraw/zinc/79/14/16/1305791416.db2.gz HFAOSZJFYSLWIC-UHFFFAOYSA-N 1 2 340.265 2.338 20 10 EECDLO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001139133204 1314708850 /nfs/dbraw/zinc/70/88/50/1314708850.db2.gz DZFJGSLKEUCETN-BFUOFWGJSA-N 1 2 328.412 2.191 20 10 EECDLO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001139133204 1314708851 /nfs/dbraw/zinc/70/88/51/1314708851.db2.gz DZFJGSLKEUCETN-BFUOFWGJSA-N 1 2 328.412 2.191 20 10 EECDLO CC(=O)NCc1ncn2c1C[N@H+](Cc1ccc(Cl)cc1O)CCC2 ZINC001140464939 1314892297 /nfs/dbraw/zinc/89/22/97/1314892297.db2.gz FLHRFDRLJTXORL-UHFFFAOYSA-N 1 2 348.834 2.284 20 10 EECDLO CC(=O)NCc1ncn2c1C[N@@H+](Cc1ccc(Cl)cc1O)CCC2 ZINC001140464939 1314892301 /nfs/dbraw/zinc/89/23/01/1314892301.db2.gz FLHRFDRLJTXORL-UHFFFAOYSA-N 1 2 348.834 2.284 20 10 EECDLO COc1ccc(N2CC[C@H](CNc3nc[nH+]c(N)c3OC)C2)cc1 ZINC000848727470 1338749902 /nfs/dbraw/zinc/74/99/02/1338749902.db2.gz CTSYRPHPPRDZQN-GFCCVEGCSA-N 1 2 329.404 2.014 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853462179 1369336647 /nfs/dbraw/zinc/33/66/47/1369336647.db2.gz LNIVDWVGDLCWKC-UHFFFAOYSA-N 1 2 328.416 2.170 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853462179 1369336650 /nfs/dbraw/zinc/33/66/50/1369336650.db2.gz LNIVDWVGDLCWKC-UHFFFAOYSA-N 1 2 328.416 2.170 20 10 EECDLO COC(=O)c1c(CN2CC[NH2+]CC(F)(F)C2)c2ccccc2n1C ZINC001211348295 759375989 /nfs/dbraw/zinc/37/59/89/759375989.db2.gz WYDLUGIMVSRLNG-UHFFFAOYSA-N 1 2 337.370 2.005 20 10 EECDLO C[N@H+](CCN1CCCC1=O)Cc1cc(Br)cc(F)c1O ZINC000894017938 780408123 /nfs/dbraw/zinc/40/81/23/780408123.db2.gz TZFOFCNOXMRXTR-UHFFFAOYSA-N 1 2 345.212 2.348 20 10 EECDLO C[N@@H+](CCN1CCCC1=O)Cc1cc(Br)cc(F)c1O ZINC000894017938 780408125 /nfs/dbraw/zinc/40/81/25/780408125.db2.gz TZFOFCNOXMRXTR-UHFFFAOYSA-N 1 2 345.212 2.348 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000824978673 788385962 /nfs/dbraw/zinc/38/59/62/788385962.db2.gz YKLBDCYWNNHCGW-KRWDZBQOSA-N 1 2 340.464 2.292 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000824978673 788385969 /nfs/dbraw/zinc/38/59/69/788385969.db2.gz YKLBDCYWNNHCGW-KRWDZBQOSA-N 1 2 340.464 2.292 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc([C@H](C)OC)no2)cc1 ZINC000844402478 789070439 /nfs/dbraw/zinc/07/04/39/789070439.db2.gz YYZVNDUROQEZOV-ZDUSSCGKSA-N 1 2 334.420 2.354 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc([C@H](C)OC)no2)cc1 ZINC000844402478 789070447 /nfs/dbraw/zinc/07/04/47/789070447.db2.gz YYZVNDUROQEZOV-ZDUSSCGKSA-N 1 2 334.420 2.354 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)Cn2cc3[nH]cccc-3c2=O)cc1 ZINC000844724657 789327710 /nfs/dbraw/zinc/32/77/10/789327710.db2.gz CHWXABNRDZDZHP-UHFFFAOYSA-N 1 2 340.427 2.072 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)Cn2cc3[nH]cccc-3c2=O)cc1 ZINC000844724657 789327717 /nfs/dbraw/zinc/32/77/17/789327717.db2.gz CHWXABNRDZDZHP-UHFFFAOYSA-N 1 2 340.427 2.072 20 10 EECDLO O=C1C[C@H](C[NH2+]Cc2cccc(Br)c2O)CN1C1CC1 ZINC000846075229 790041388 /nfs/dbraw/zinc/04/13/88/790041388.db2.gz MQWNDBMPVIHWKL-SNVBAGLBSA-N 1 2 339.233 2.255 20 10 EECDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC000915837946 796531851 /nfs/dbraw/zinc/53/18/51/796531851.db2.gz SPKRPNZNSUYDLJ-UHFFFAOYSA-N 1 2 332.444 2.450 20 10 EECDLO CCN(CC)C(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184355323 802000472 /nfs/dbraw/zinc/00/04/72/802000472.db2.gz XCECSFCDTISDBO-UHFFFAOYSA-N 1 2 332.400 2.107 20 10 EECDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184355323 802000478 /nfs/dbraw/zinc/00/04/78/802000478.db2.gz XCECSFCDTISDBO-UHFFFAOYSA-N 1 2 332.400 2.107 20 10 EECDLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(N2CCSCC2)cc1 ZINC000806506332 811886641 /nfs/dbraw/zinc/88/66/41/811886641.db2.gz POJCPDXZBCQNNG-UHFFFAOYSA-N 1 2 330.457 2.212 20 10 EECDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000806614493 811939001 /nfs/dbraw/zinc/93/90/01/811939001.db2.gz VMRQXZSCEADWCM-AWEZNQCLSA-N 1 2 328.416 2.056 20 10 EECDLO COc1ccc(N2CCCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000071820054 463430714 /nfs/dbraw/zinc/43/07/14/463430714.db2.gz UXSJOFXUXUTZMX-HNNXBMFYSA-N 1 2 328.416 2.192 20 10 EECDLO COc1c(O)c(CNC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278909492 464007070 /nfs/dbraw/zinc/00/70/70/464007070.db2.gz SHGYSNPFVPCIOO-ZDUSSCGKSA-N 1 2 325.409 2.375 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2nncn2C)c1O ZINC000290088326 464107678 /nfs/dbraw/zinc/10/76/78/464107678.db2.gz GUULUTVKBUCCPV-UHFFFAOYSA-N 1 2 325.210 2.224 20 10 EECDLO Cc1cc(Br)cc(C[N@H+](C)Cc2nncn2C)c1O ZINC000290088326 464107682 /nfs/dbraw/zinc/10/76/82/464107682.db2.gz GUULUTVKBUCCPV-UHFFFAOYSA-N 1 2 325.210 2.224 20 10 EECDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271195784 464286949 /nfs/dbraw/zinc/28/69/49/464286949.db2.gz RIXJPBMLYXDPDH-KRWDZBQOSA-N 1 2 329.352 2.467 20 10 EECDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271195784 464286956 /nfs/dbraw/zinc/28/69/56/464286956.db2.gz RIXJPBMLYXDPDH-KRWDZBQOSA-N 1 2 329.352 2.467 20 10 EECDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271195785 464287891 /nfs/dbraw/zinc/28/78/91/464287891.db2.gz RIXJPBMLYXDPDH-QGZVFWFLSA-N 1 2 329.352 2.467 20 10 EECDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271195785 464287895 /nfs/dbraw/zinc/28/78/95/464287895.db2.gz RIXJPBMLYXDPDH-QGZVFWFLSA-N 1 2 329.352 2.467 20 10 EECDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000182994153 464773408 /nfs/dbraw/zinc/77/34/08/464773408.db2.gz XBPKINGGCGLIBL-UHFFFAOYSA-N 1 2 349.452 2.448 20 10 EECDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000182994153 464773414 /nfs/dbraw/zinc/77/34/14/464773414.db2.gz XBPKINGGCGLIBL-UHFFFAOYSA-N 1 2 349.452 2.448 20 10 EECDLO O=C(C=Cc1c[nH]c[nH+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000276544322 464972783 /nfs/dbraw/zinc/97/27/83/464972783.db2.gz GPRBBIVBGJBDGW-KXPUMZMLSA-N 1 2 327.384 2.336 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000349418125 466102439 /nfs/dbraw/zinc/10/24/39/466102439.db2.gz ACTZJTLKZAYTEC-CQSZACIVSA-N 1 2 344.459 2.007 20 10 EECDLO Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000727106320 576406184 /nfs/dbraw/zinc/40/61/84/576406184.db2.gz RWVLPEMTJRELCU-UHFFFAOYSA-N 1 2 341.455 2.498 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000775659591 577441960 /nfs/dbraw/zinc/44/19/60/577441960.db2.gz KOJDPXIIDIIYBB-CQSZACIVSA-N 1 2 328.815 2.481 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000775659591 577441961 /nfs/dbraw/zinc/44/19/61/577441961.db2.gz KOJDPXIIDIIYBB-CQSZACIVSA-N 1 2 328.815 2.481 20 10 EECDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000768229912 577552450 /nfs/dbraw/zinc/55/24/50/577552450.db2.gz ONNRRGWPXOTYNY-CQSZACIVSA-N 1 2 325.430 2.271 20 10 EECDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1cc(OCC)ccc1O ZINC000768229912 577552451 /nfs/dbraw/zinc/55/24/51/577552451.db2.gz ONNRRGWPXOTYNY-CQSZACIVSA-N 1 2 325.430 2.271 20 10 EECDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000768776034 577562190 /nfs/dbraw/zinc/56/21/90/577562190.db2.gz GBTTYBFTCBKGDX-UHFFFAOYSA-N 1 2 342.395 2.064 20 10 EECDLO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(OC)c1O ZINC000769231228 577572894 /nfs/dbraw/zinc/57/28/94/577572894.db2.gz AJHKIWMKQDQCKG-UHFFFAOYSA-N 1 2 325.405 2.191 20 10 EECDLO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(OC)c1O ZINC000769231228 577572895 /nfs/dbraw/zinc/57/28/95/577572895.db2.gz AJHKIWMKQDQCKG-UHFFFAOYSA-N 1 2 325.405 2.191 20 10 EECDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000761228138 577679853 /nfs/dbraw/zinc/67/98/53/577679853.db2.gz HILCNANCXFDNLH-LBPRGKRZSA-N 1 2 327.787 2.221 20 10 EECDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000761228138 577679854 /nfs/dbraw/zinc/67/98/54/577679854.db2.gz HILCNANCXFDNLH-LBPRGKRZSA-N 1 2 327.787 2.221 20 10 EECDLO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756399500 577843387 /nfs/dbraw/zinc/84/33/87/577843387.db2.gz QEJNKVIREOSYJR-SNVBAGLBSA-N 1 2 348.415 2.135 20 10 EECDLO Cc1n[nH]c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891254253 676250636 /nfs/dbraw/zinc/25/06/36/676250636.db2.gz XXCIUNZIFACPQV-MRXNPFEDSA-N 1 2 329.448 2.125 20 10 EECDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001273106749 1194390167 /nfs/dbraw/zinc/39/01/67/1194390167.db2.gz KPSUYKBRXADUPG-LBPRGKRZSA-N 1 2 338.835 2.257 20 10 EECDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2c(O)cccc2F)C1=O ZINC001273266461 1197891948 /nfs/dbraw/zinc/89/19/48/1197891948.db2.gz YTWKMIWMVLFGDP-KZULUSFZSA-N 1 2 334.391 2.076 20 10 EECDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2c(O)cccc2F)C1=O ZINC001273266461 1197891956 /nfs/dbraw/zinc/89/19/56/1197891956.db2.gz YTWKMIWMVLFGDP-KZULUSFZSA-N 1 2 334.391 2.076 20 10 EECDLO C[C@H]1COCCN1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882978782 1201989848 /nfs/dbraw/zinc/98/98/48/1201989848.db2.gz BEVFVTTWWLNDFZ-JTQLQIEISA-N 1 2 347.228 2.104 20 10 EECDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(Cl)c(C)cc1O ZINC001276371853 1228794904 /nfs/dbraw/zinc/79/49/04/1228794904.db2.gz CSXBDLGYQWIFRL-GASCZTMLSA-N 1 2 340.851 2.233 20 10 EECDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(C)cc1O ZINC001276371853 1228794909 /nfs/dbraw/zinc/79/49/09/1228794909.db2.gz CSXBDLGYQWIFRL-GASCZTMLSA-N 1 2 340.851 2.233 20 10 EECDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199787 1304035481 /nfs/dbraw/zinc/03/54/81/1304035481.db2.gz JTKPECIFFOSFIQ-LBPRGKRZSA-N 1 2 326.824 2.170 20 10 EECDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199787 1304035486 /nfs/dbraw/zinc/03/54/86/1304035486.db2.gz JTKPECIFFOSFIQ-LBPRGKRZSA-N 1 2 326.824 2.170 20 10 EECDLO Cn1ncc2c1CC[N@H+](Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001232201821 1304036491 /nfs/dbraw/zinc/03/64/91/1304036491.db2.gz NBOYODMASZOJND-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO Cn1ncc2c1CC[N@@H+](Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001232201821 1304036496 /nfs/dbraw/zinc/03/64/96/1304036496.db2.gz NBOYODMASZOJND-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079599 1304354256 /nfs/dbraw/zinc/35/42/56/1304354256.db2.gz GPQPIRAUBOUVBL-CYBMUJFWSA-N 1 2 342.386 2.130 20 10 EECDLO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079599 1304354261 /nfs/dbraw/zinc/35/42/61/1304354261.db2.gz GPQPIRAUBOUVBL-CYBMUJFWSA-N 1 2 342.386 2.130 20 10 EECDLO Oc1ccc(F)c(F)c1CN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001233333450 1304434591 /nfs/dbraw/zinc/43/45/91/1304434591.db2.gz WEPUQSCGPIWFQA-UHFFFAOYSA-N 1 2 346.337 2.462 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)Cc2nn(CC)cc21 ZINC001233483578 1304477340 /nfs/dbraw/zinc/47/73/40/1304477340.db2.gz FEFVWHXHZQMGHZ-CYBMUJFWSA-N 1 2 347.415 2.156 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)Cc2nn(CC)cc21 ZINC001233483578 1304477342 /nfs/dbraw/zinc/47/73/42/1304477342.db2.gz FEFVWHXHZQMGHZ-CYBMUJFWSA-N 1 2 347.415 2.156 20 10 EECDLO Oc1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)cccc1OC(F)(F)F ZINC001233726728 1304569098 /nfs/dbraw/zinc/56/90/98/1304569098.db2.gz GYUGADQBUVXHFN-CYBMUJFWSA-N 1 2 346.349 2.197 20 10 EECDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236828747 1305691309 /nfs/dbraw/zinc/69/13/09/1305691309.db2.gz FJWFMXSQLXCFOO-KRWDZBQOSA-N 1 2 338.411 2.420 20 10 EECDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236828747 1305691315 /nfs/dbraw/zinc/69/13/15/1305691315.db2.gz FJWFMXSQLXCFOO-KRWDZBQOSA-N 1 2 338.411 2.420 20 10 EECDLO CC[NH2+]Cc1cccc(NS(=O)(=O)c2cccc3nonc32)c1 ZINC001237796531 1306097713 /nfs/dbraw/zinc/09/77/13/1306097713.db2.gz WFRWNGUZTUOPDL-UHFFFAOYSA-N 1 2 332.385 2.133 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001139129058 1314708120 /nfs/dbraw/zinc/70/81/20/1314708120.db2.gz MQECBXCQMPWENP-AWEZNQCLSA-N 1 2 328.412 2.477 20 10 EECDLO O=S1(=O)CCCN1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000840955756 1315445241 /nfs/dbraw/zinc/44/52/41/1315445241.db2.gz YVHOIDPBADNCBN-UHFFFAOYSA-N 1 2 344.864 2.046 20 10 EECDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252171 1317036512 /nfs/dbraw/zinc/03/65/12/1317036512.db2.gz HLMTVYAYECJTQV-CQSZACIVSA-N 1 2 347.411 2.340 20 10 EECDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252171 1317036523 /nfs/dbraw/zinc/03/65/23/1317036523.db2.gz HLMTVYAYECJTQV-CQSZACIVSA-N 1 2 347.411 2.340 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2cc(C)c(Br)cc2O)CCO1 ZINC001250133711 1317218013 /nfs/dbraw/zinc/21/80/13/1317218013.db2.gz QNPSBNXBXFHSNO-LBPRGKRZSA-N 1 2 330.222 2.310 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC001209516805 1324954441 /nfs/dbraw/zinc/95/44/41/1324954441.db2.gz PKKVTQDNTBKJOY-SFHVURJKSA-N 1 2 328.412 2.468 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC001209516805 1324954442 /nfs/dbraw/zinc/95/44/42/1324954442.db2.gz PKKVTQDNTBKJOY-SFHVURJKSA-N 1 2 328.412 2.468 20 10 EECDLO C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603662452 1350736935 /nfs/dbraw/zinc/73/69/35/1350736935.db2.gz KVWOTRXSYKUFHW-ABAIWWIYSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000830704456 1372343870 /nfs/dbraw/zinc/34/38/70/1372343870.db2.gz XRZOVBBDYVNIPW-INIZCTEOSA-N 1 2 345.487 2.354 20 10 EECDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000830704456 1372343874 /nfs/dbraw/zinc/34/38/74/1372343874.db2.gz XRZOVBBDYVNIPW-INIZCTEOSA-N 1 2 345.487 2.354 20 10 EECDLO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc([N+](=O)[O-])ccc1O ZINC000817953936 785103336 /nfs/dbraw/zinc/10/33/36/785103336.db2.gz WRHDAGBQZMOCID-GFCCVEGCSA-N 1 2 343.387 2.278 20 10 EECDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825278333 788547823 /nfs/dbraw/zinc/54/78/23/788547823.db2.gz BNMKYIVCUIJINQ-JTQLQIEISA-N 1 2 329.803 2.420 20 10 EECDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825278333 788547831 /nfs/dbraw/zinc/54/78/31/788547831.db2.gz BNMKYIVCUIJINQ-JTQLQIEISA-N 1 2 329.803 2.420 20 10 EECDLO CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1O ZINC000092675426 237041734 /nfs/dbraw/zinc/04/17/34/237041734.db2.gz UCHCEPCFNNIKBL-KRWDZBQOSA-N 1 2 326.396 2.464 20 10 EECDLO CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1O ZINC000092675426 237041745 /nfs/dbraw/zinc/04/17/45/237041745.db2.gz UCHCEPCFNNIKBL-KRWDZBQOSA-N 1 2 326.396 2.464 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3ncccn3)CC2)c1O ZINC000079220232 463197858 /nfs/dbraw/zinc/19/78/58/463197858.db2.gz LEFOZHJFYQXQHJ-UHFFFAOYSA-N 1 2 346.818 2.360 20 10 EECDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1c(F)ccc(O)c1O ZINC000276677051 463715004 /nfs/dbraw/zinc/71/50/04/463715004.db2.gz OIKBRGAXZGJNCO-UHFFFAOYSA-N 1 2 331.347 2.162 20 10 EECDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000289718904 464091434 /nfs/dbraw/zinc/09/14/34/464091434.db2.gz PFHVDEJERUEGKD-GFCCVEGCSA-N 1 2 338.757 2.398 20 10 EECDLO O=C(C1CC[NH+](Cc2cccc(Cl)c2O)CC1)N1CCOCC1 ZINC000179591058 464161725 /nfs/dbraw/zinc/16/17/25/464161725.db2.gz XKNZLDLWHBLLEE-UHFFFAOYSA-N 1 2 338.835 2.116 20 10 EECDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179675760 464172616 /nfs/dbraw/zinc/17/26/16/464172616.db2.gz YSHBAZBJKHVJKC-CYBMUJFWSA-N 1 2 339.867 2.078 20 10 EECDLO CCc1nc(CN2CC[NH+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000180174874 464258514 /nfs/dbraw/zinc/25/85/14/464258514.db2.gz KEXVBUYEAJWSSP-UHFFFAOYSA-N 1 2 336.823 2.309 20 10 EECDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000294833295 464619752 /nfs/dbraw/zinc/61/97/52/464619752.db2.gz DPSODTQSSMFAFB-UHFFFAOYSA-N 1 2 348.349 2.334 20 10 EECDLO COCc1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000182650806 464701542 /nfs/dbraw/zinc/70/15/42/464701542.db2.gz AIEPHTZAIYDDIF-AWEZNQCLSA-N 1 2 333.388 2.103 20 10 EECDLO COCc1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000182650806 464701547 /nfs/dbraw/zinc/70/15/47/464701547.db2.gz AIEPHTZAIYDDIF-AWEZNQCLSA-N 1 2 333.388 2.103 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](C)CC ZINC000276378531 464909556 /nfs/dbraw/zinc/90/95/56/464909556.db2.gz AGIAPWGGLVVUKZ-ZBEGNZNMSA-N 1 2 325.405 2.477 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000372751770 466572667 /nfs/dbraw/zinc/57/26/67/466572667.db2.gz QHVSDNMORPLVKH-PSOPSSQASA-N 1 2 336.819 2.334 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000372751770 466572672 /nfs/dbraw/zinc/57/26/72/466572672.db2.gz QHVSDNMORPLVKH-PSOPSSQASA-N 1 2 336.819 2.334 20 10 EECDLO COc1c(O)c(C[N@H+](C)Cc2cccc(C(N)=O)c2)ccc1[N+](=O)[O-] ZINC000774846465 577420585 /nfs/dbraw/zinc/42/05/85/577420585.db2.gz OXILVDVWBYDROZ-UHFFFAOYSA-N 1 2 345.355 2.040 20 10 EECDLO COc1c(O)c(C[N@@H+](C)Cc2cccc(C(N)=O)c2)ccc1[N+](=O)[O-] ZINC000774846465 577420586 /nfs/dbraw/zinc/42/05/86/577420586.db2.gz OXILVDVWBYDROZ-UHFFFAOYSA-N 1 2 345.355 2.040 20 10 EECDLO Oc1cc2c(cc1CN1CC[NH+](Cc3ccsc3)CC1)[C@@H](O)CO2 ZINC000768442078 577555698 /nfs/dbraw/zinc/55/56/98/577555698.db2.gz OJHYXEAHUOPGID-KRWDZBQOSA-N 1 2 346.452 2.197 20 10 EECDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1nc2n(c1=O)CCCC2 ZINC000758308025 577621329 /nfs/dbraw/zinc/62/13/29/577621329.db2.gz WPQDCRREFCWTKN-UHFFFAOYSA-N 1 2 343.475 2.315 20 10 EECDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1nc2n(c1=O)CCCC2 ZINC000758308025 577621330 /nfs/dbraw/zinc/62/13/30/577621330.db2.gz WPQDCRREFCWTKN-UHFFFAOYSA-N 1 2 343.475 2.315 20 10 EECDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000761207123 577679153 /nfs/dbraw/zinc/67/91/53/577679153.db2.gz YAZSMGWZLWAURO-ZDUSSCGKSA-N 1 2 345.823 2.453 20 10 EECDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000761207123 577679154 /nfs/dbraw/zinc/67/91/54/577679154.db2.gz YAZSMGWZLWAURO-ZDUSSCGKSA-N 1 2 345.823 2.453 20 10 EECDLO C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C(=O)N(C)C ZINC000756739968 577849630 /nfs/dbraw/zinc/84/96/30/577849630.db2.gz UTHWVUCLIMXAAD-HTQZYQBOSA-N 1 2 333.201 2.421 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=S)NC[C@@H]3CCOC3)CC2)cc1 ZINC000749687574 577979932 /nfs/dbraw/zinc/97/99/32/577979932.db2.gz PMBFKQCDNQSIBD-AWEZNQCLSA-N 1 2 349.500 2.165 20 10 EECDLO COC[C@]1(CO)CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894929966 683412417 /nfs/dbraw/zinc/41/24/17/683412417.db2.gz QXPICTYVNUAJFC-CQSZACIVSA-N 1 2 348.212 2.125 20 10 EECDLO COC[C@]1(CO)CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894929966 683412420 /nfs/dbraw/zinc/41/24/20/683412420.db2.gz QXPICTYVNUAJFC-CQSZACIVSA-N 1 2 348.212 2.125 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@]12CCN(C)C2=O ZINC001273003888 1194310334 /nfs/dbraw/zinc/31/03/34/1194310334.db2.gz CGOMYJSNJOZOPQ-IBGZPJMESA-N 1 2 342.395 2.004 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@]12CCN(C)C2=O ZINC001273003888 1194310336 /nfs/dbraw/zinc/31/03/36/1194310336.db2.gz CGOMYJSNJOZOPQ-IBGZPJMESA-N 1 2 342.395 2.004 20 10 EECDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000129098049 1201722184 /nfs/dbraw/zinc/72/21/84/1201722184.db2.gz UIXQCECVCIYPJI-CYBMUJFWSA-N 1 2 339.867 2.078 20 10 EECDLO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000027165336 1202037487 /nfs/dbraw/zinc/03/74/87/1202037487.db2.gz CJSMYSLVEWJEIY-ZDUSSCGKSA-N 1 2 327.446 2.014 20 10 EECDLO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000027165336 1202037488 /nfs/dbraw/zinc/03/74/88/1202037488.db2.gz CJSMYSLVEWJEIY-ZDUSSCGKSA-N 1 2 327.446 2.014 20 10 EECDLO Cc1nc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc[nH+]1 ZINC000884693840 1202350593 /nfs/dbraw/zinc/35/05/93/1202350593.db2.gz QKDFWZGFOZPQMD-UHFFFAOYSA-N 1 2 325.416 2.099 20 10 EECDLO Oc1cc(Cl)ccc1CN1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001275271511 1205295304 /nfs/dbraw/zinc/29/53/04/1205295304.db2.gz NDCVETXUUBIGSQ-UHFFFAOYSA-N 1 2 332.835 2.202 20 10 EECDLO Oc1cc(Cl)ccc1CN1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001275271511 1205295306 /nfs/dbraw/zinc/29/53/06/1205295306.db2.gz NDCVETXUUBIGSQ-UHFFFAOYSA-N 1 2 332.835 2.202 20 10 EECDLO COc1cc(O)c(CN2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)c(OC)c1 ZINC001276193570 1205826549 /nfs/dbraw/zinc/82/65/49/1205826549.db2.gz AHSWDTXRLODQBQ-UHFFFAOYSA-N 1 2 343.427 2.055 20 10 EECDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC001231854770 1303931633 /nfs/dbraw/zinc/93/16/33/1303931633.db2.gz LUNCFKQOQOGZJB-UHFFFAOYSA-N 1 2 331.460 2.206 20 10 EECDLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233418901 1304461837 /nfs/dbraw/zinc/46/18/37/1304461837.db2.gz AWOMQQCMBTYFOD-ZDUSSCGKSA-N 1 2 341.333 2.374 20 10 EECDLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233418901 1304461841 /nfs/dbraw/zinc/46/18/41/1304461841.db2.gz AWOMQQCMBTYFOD-ZDUSSCGKSA-N 1 2 341.333 2.374 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c(Br)c1 ZINC001237064134 1305784749 /nfs/dbraw/zinc/78/47/49/1305784749.db2.gz XDAOUGOBYRQEIB-NXEZZACHSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)c(Br)c1 ZINC001237064134 1305784757 /nfs/dbraw/zinc/78/47/57/1305784757.db2.gz XDAOUGOBYRQEIB-NXEZZACHSA-N 1 2 348.212 2.316 20 10 EECDLO Cc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)cc1Br ZINC001250120452 1317215883 /nfs/dbraw/zinc/21/58/83/1317215883.db2.gz DVZXCNLBXKHGGJ-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c(O)cc1Br ZINC001250120452 1317215887 /nfs/dbraw/zinc/21/58/87/1317215887.db2.gz DVZXCNLBXKHGGJ-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001203665629 1321935463 /nfs/dbraw/zinc/93/54/63/1321935463.db2.gz QFFXEOKJXHSMIE-LSDHHAIUSA-N 1 2 328.815 2.290 20 10 EECDLO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001203665629 1321935468 /nfs/dbraw/zinc/93/54/68/1321935468.db2.gz QFFXEOKJXHSMIE-LSDHHAIUSA-N 1 2 328.815 2.290 20 10 EECDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1cc(OC)ccc1O)CCC2 ZINC001203670717 1321936879 /nfs/dbraw/zinc/93/68/79/1321936879.db2.gz XTKFBPWQTUVESS-UHFFFAOYSA-N 1 2 345.399 2.180 20 10 EECDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1cc(OC)ccc1O)CCC2 ZINC001203670717 1321936880 /nfs/dbraw/zinc/93/68/80/1321936880.db2.gz XTKFBPWQTUVESS-UHFFFAOYSA-N 1 2 345.399 2.180 20 10 EECDLO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)cc1 ZINC001592199226 1349605523 /nfs/dbraw/zinc/60/55/23/1349605523.db2.gz LMVPDPBRSQQNQH-BLLLJJGKSA-N 1 2 339.399 2.265 20 10 EECDLO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001603662711 1350737059 /nfs/dbraw/zinc/73/70/59/1350737059.db2.gz NXBJBHLRIYCGIC-CHWSQXEVSA-N 1 2 330.436 2.097 20 10 EECDLO COC[C@H]1C[N@H+](Cc2c(C)n(C)c3ccccc32)Cc2nnn(C)c21 ZINC001138253862 1372372254 /nfs/dbraw/zinc/37/22/54/1372372254.db2.gz JJYRLSZRPYQTDX-CQSZACIVSA-N 1 2 339.443 2.361 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc32)Cc2nnn(C)c21 ZINC001138253862 1372372258 /nfs/dbraw/zinc/37/22/58/1372372258.db2.gz JJYRLSZRPYQTDX-CQSZACIVSA-N 1 2 339.443 2.361 20 10 EECDLO CO[C@@H](C)C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089810136 776037712 /nfs/dbraw/zinc/03/77/12/776037712.db2.gz HYHGBCYNUXISLL-AWEZNQCLSA-N 1 2 332.448 2.080 20 10 EECDLO CCOC(=O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1O ZINC000846999508 790808579 /nfs/dbraw/zinc/80/85/79/790808579.db2.gz CPQWKIWYUWTHGH-UHFFFAOYSA-N 1 2 331.416 2.124 20 10 EECDLO CCOC(=O)C[N@H+](CCCc1cncn1C)Cc1ccccc1O ZINC000846999508 790808595 /nfs/dbraw/zinc/80/85/95/790808595.db2.gz CPQWKIWYUWTHGH-UHFFFAOYSA-N 1 2 331.416 2.124 20 10 EECDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000073166985 783881847 /nfs/dbraw/zinc/88/18/47/783881847.db2.gz MXUNZXNMXKSNIT-IBGZPJMESA-N 1 2 347.503 2.458 20 10 EECDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000073166985 783881850 /nfs/dbraw/zinc/88/18/50/783881850.db2.gz MXUNZXNMXKSNIT-IBGZPJMESA-N 1 2 347.503 2.458 20 10 EECDLO COCCn1nnc2c1CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816637277 784159694 /nfs/dbraw/zinc/15/96/94/784159694.db2.gz YQNUCNGWRCNLPS-UHFFFAOYSA-N 1 2 338.411 2.342 20 10 EECDLO COCCn1nnc2c1CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816637277 784159696 /nfs/dbraw/zinc/15/96/96/784159696.db2.gz YQNUCNGWRCNLPS-UHFFFAOYSA-N 1 2 338.411 2.342 20 10 EECDLO O=C(C[NH2+]Cc1cc(Cl)cc(Br)c1O)NC1CC1 ZINC000708169251 786764324 /nfs/dbraw/zinc/76/43/24/786764324.db2.gz DRULTJOFZLTDOT-UHFFFAOYSA-N 1 2 333.613 2.176 20 10 EECDLO CC(=O)NC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299496 789517592 /nfs/dbraw/zinc/51/75/92/789517592.db2.gz YJIZNFORDZWCOU-UHFFFAOYSA-N 1 2 345.212 2.394 20 10 EECDLO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001172312312 796952579 /nfs/dbraw/zinc/95/25/79/796952579.db2.gz AKWOIZKEBYGVHS-YDHLFZDLSA-N 1 2 339.432 2.365 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000069632719 463292842 /nfs/dbraw/zinc/29/28/42/463292842.db2.gz NDJOVUBADIQOAI-QGZVFWFLSA-N 1 2 333.432 2.142 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000069632718 463292914 /nfs/dbraw/zinc/29/29/14/463292914.db2.gz NDJOVUBADIQOAI-KRWDZBQOSA-N 1 2 333.432 2.142 20 10 EECDLO COc1ccc(N2CCCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000071820055 463430354 /nfs/dbraw/zinc/43/03/54/463430354.db2.gz UXSJOFXUXUTZMX-OAHLLOKOSA-N 1 2 328.416 2.192 20 10 EECDLO Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(O)c1O ZINC000179547269 464154857 /nfs/dbraw/zinc/15/48/57/464154857.db2.gz DAAJHTVENLFYBZ-CYBMUJFWSA-N 1 2 329.400 2.235 20 10 EECDLO CCCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2c2nnc[nH]2)c(O)c1 ZINC000284443946 464194500 /nfs/dbraw/zinc/19/45/00/464194500.db2.gz APDAOFMZWASAKN-CABCVRRESA-N 1 2 332.404 2.261 20 10 EECDLO CCCOc1ccc(C[N@H+]2C[C@H](OC)C[C@H]2c2nnc[nH]2)c(O)c1 ZINC000284443946 464194506 /nfs/dbraw/zinc/19/45/06/464194506.db2.gz APDAOFMZWASAKN-CABCVRRESA-N 1 2 332.404 2.261 20 10 EECDLO COCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000189686747 464540867 /nfs/dbraw/zinc/54/08/67/464540867.db2.gz LMNLKVUILQIAIN-AWEZNQCLSA-N 1 2 327.808 2.486 20 10 EECDLO COCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000189686747 464540875 /nfs/dbraw/zinc/54/08/75/464540875.db2.gz LMNLKVUILQIAIN-AWEZNQCLSA-N 1 2 327.808 2.486 20 10 EECDLO O=C(C=Cc1c[nH]c[nH+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000276544324 464972751 /nfs/dbraw/zinc/97/27/51/464972751.db2.gz GPRBBIVBGJBDGW-WAVCKPEOSA-N 1 2 327.384 2.336 20 10 EECDLO Oc1ccc(Br)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000184719921 465021572 /nfs/dbraw/zinc/02/15/72/465021572.db2.gz JRNHACKFOQHPSG-UHFFFAOYSA-N 1 2 328.206 2.494 20 10 EECDLO COc1ccc([N@H+](CCCS(=O)(=O)N(C)C)CC(C)C)cc1 ZINC000729475359 576656370 /nfs/dbraw/zinc/65/63/70/576656370.db2.gz SCMQCJMALXAKRZ-UHFFFAOYSA-N 1 2 328.478 2.439 20 10 EECDLO COc1ccc([N@@H+](CCCS(=O)(=O)N(C)C)CC(C)C)cc1 ZINC000729475359 576656371 /nfs/dbraw/zinc/65/63/71/576656371.db2.gz SCMQCJMALXAKRZ-UHFFFAOYSA-N 1 2 328.478 2.439 20 10 EECDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775206713 577432738 /nfs/dbraw/zinc/43/27/38/577432738.db2.gz YBHAEEACWNZHIX-BXUZGUMPSA-N 1 2 347.814 2.031 20 10 EECDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775206713 577432739 /nfs/dbraw/zinc/43/27/39/577432739.db2.gz YBHAEEACWNZHIX-BXUZGUMPSA-N 1 2 347.814 2.031 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1O ZINC000775740549 577444466 /nfs/dbraw/zinc/44/44/66/577444466.db2.gz KUIPFFRGLBRVCM-GXFFZTMASA-N 1 2 330.222 2.045 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1O ZINC000775740549 577444467 /nfs/dbraw/zinc/44/44/67/577444467.db2.gz KUIPFFRGLBRVCM-GXFFZTMASA-N 1 2 330.222 2.045 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)cc1OC ZINC000764949113 577491551 /nfs/dbraw/zinc/49/15/51/577491551.db2.gz HPNAJYXHFDKPHD-UHFFFAOYSA-N 1 2 342.395 2.258 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCN(c3ccccc3)C(=O)C2)cc1OC ZINC000764949113 577491552 /nfs/dbraw/zinc/49/15/52/577491552.db2.gz HPNAJYXHFDKPHD-UHFFFAOYSA-N 1 2 342.395 2.258 20 10 EECDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000765795148 577507347 /nfs/dbraw/zinc/50/73/47/577507347.db2.gz HVYJMUQXTHLQRZ-ZYHUDNBSSA-N 1 2 327.222 2.159 20 10 EECDLO CCOc1cccc(C[N@H+](C)[C@@H](COC(C)C)C(=O)OC)c1O ZINC000770354579 577594504 /nfs/dbraw/zinc/59/45/04/577594504.db2.gz HUNPMTGQIJQKCC-AWEZNQCLSA-N 1 2 325.405 2.189 20 10 EECDLO CCOc1cccc(C[N@@H+](C)[C@@H](COC(C)C)C(=O)OC)c1O ZINC000770354579 577594505 /nfs/dbraw/zinc/59/45/05/577594505.db2.gz HUNPMTGQIJQKCC-AWEZNQCLSA-N 1 2 325.405 2.189 20 10 EECDLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756355685 577842652 /nfs/dbraw/zinc/84/26/52/577842652.db2.gz QTSPTRFMGONMTN-JGVFFNPUSA-N 1 2 333.201 2.469 20 10 EECDLO C[C@@H]([NH2+]CCCOCCO)c1cc(Br)c(F)cc1O ZINC000757639552 577861601 /nfs/dbraw/zinc/86/16/01/577861601.db2.gz YCHSYINESJJAMW-SECBINFHSA-N 1 2 336.201 2.343 20 10 EECDLO CCOCC[NH+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177278954 681222696 /nfs/dbraw/zinc/22/26/96/681222696.db2.gz GTKOLCUAGGHQES-UHFFFAOYSA-N 1 2 340.851 2.402 20 10 EECDLO CN(C)c1ccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc1F ZINC000877777396 1200095566 /nfs/dbraw/zinc/09/55/66/1200095566.db2.gz ZBILZPLDWQRTLR-UHFFFAOYSA-N 1 2 333.329 2.002 20 10 EECDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879464052 1201081068 /nfs/dbraw/zinc/08/10/68/1201081068.db2.gz ZRSMZQMWKABQAA-HUUCEWRRSA-N 1 2 349.475 2.129 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000802075989 1236832958 /nfs/dbraw/zinc/83/29/58/1236832958.db2.gz BNKKDDGLJKWFMI-INIZCTEOSA-N 1 2 349.475 2.425 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000802075989 1236832968 /nfs/dbraw/zinc/83/29/68/1236832968.db2.gz BNKKDDGLJKWFMI-INIZCTEOSA-N 1 2 349.475 2.425 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@H](C(N)=O)C1 ZINC000862332494 1295795783 /nfs/dbraw/zinc/79/57/83/1295795783.db2.gz ISRYWAAHZHXBQJ-SKDRFNHKSA-N 1 2 327.222 2.241 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@H](C(N)=O)C1 ZINC000862332494 1295795794 /nfs/dbraw/zinc/79/57/94/1295795794.db2.gz ISRYWAAHZHXBQJ-SKDRFNHKSA-N 1 2 327.222 2.241 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCN(c3ccc(F)cc3)C(=O)C2)c(O)c1 ZINC001232841151 1304266737 /nfs/dbraw/zinc/26/67/37/1304266737.db2.gz VCJNFCQXPCDEDR-UHFFFAOYSA-N 1 2 343.402 2.446 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCN(c3ccc(F)cc3)C(=O)C2)c(O)c1 ZINC001232841151 1304266740 /nfs/dbraw/zinc/26/67/40/1304266740.db2.gz VCJNFCQXPCDEDR-UHFFFAOYSA-N 1 2 343.402 2.446 20 10 EECDLO CN(C)C(=O)CC[N@H+](C)Cc1c(O)cc(Br)cc1F ZINC001233031424 1304335163 /nfs/dbraw/zinc/33/51/63/1304335163.db2.gz DEEFZCDOQLLDLB-UHFFFAOYSA-N 1 2 333.201 2.204 20 10 EECDLO CN(C)C(=O)CC[N@@H+](C)Cc1c(O)cc(Br)cc1F ZINC001233031424 1304335171 /nfs/dbraw/zinc/33/51/71/1304335171.db2.gz DEEFZCDOQLLDLB-UHFFFAOYSA-N 1 2 333.201 2.204 20 10 EECDLO CCS(=O)(=O)N1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286904 1304417655 /nfs/dbraw/zinc/41/76/55/1304417655.db2.gz NVKYQNMONOWOBH-UHFFFAOYSA-N 1 2 340.489 2.157 20 10 EECDLO CN1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CC1=O ZINC001236793933 1305680253 /nfs/dbraw/zinc/68/02/53/1305680253.db2.gz UIIOMZXPXVKIGI-UHFFFAOYSA-N 1 2 326.396 2.245 20 10 EECDLO CN1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC1=O ZINC001236793933 1305680261 /nfs/dbraw/zinc/68/02/61/1305680261.db2.gz UIIOMZXPXVKIGI-UHFFFAOYSA-N 1 2 326.396 2.245 20 10 EECDLO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCCC[C@H](F)C3)cc2)CC1 ZINC001237204002 1305845665 /nfs/dbraw/zinc/84/56/65/1305845665.db2.gz XDIILJBESSUDBB-INIZCTEOSA-N 1 2 340.464 2.245 20 10 EECDLO O=S1(=O)CCN(c2ccc(C[N@H+]3CCCC[C@H](F)C3)cc2)CC1 ZINC001237204002 1305845653 /nfs/dbraw/zinc/84/56/53/1305845653.db2.gz XDIILJBESSUDBB-INIZCTEOSA-N 1 2 340.464 2.245 20 10 EECDLO COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140178378 1314828244 /nfs/dbraw/zinc/82/82/44/1314828244.db2.gz JXNIVCBBJLLSNX-WFASDCNBSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140178378 1314828246 /nfs/dbraw/zinc/82/82/46/1314828246.db2.gz JXNIVCBBJLLSNX-WFASDCNBSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)c1n[nH]c2c1C[N@H+](Cc1ccc(N(C)C)cc1C)CC2 ZINC000840949679 1315443045 /nfs/dbraw/zinc/44/30/45/1315443045.db2.gz ARKGWWJLWPDARU-UHFFFAOYSA-N 1 2 328.416 2.129 20 10 EECDLO COC(=O)c1n[nH]c2c1C[N@@H+](Cc1ccc(N(C)C)cc1C)CC2 ZINC000840949679 1315443047 /nfs/dbraw/zinc/44/30/47/1315443047.db2.gz ARKGWWJLWPDARU-UHFFFAOYSA-N 1 2 328.416 2.129 20 10 EECDLO Nc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC001357792375 1339015676 /nfs/dbraw/zinc/01/56/76/1339015676.db2.gz VZSBGSBWDCNLKW-UHFFFAOYSA-N 1 2 330.457 2.358 20 10 EECDLO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001589978985 1349091206 /nfs/dbraw/zinc/09/12/06/1349091206.db2.gz UDGQTATZSWDIAZ-NHYWBVRUSA-N 1 2 331.420 2.020 20 10 EECDLO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463082 1349337990 /nfs/dbraw/zinc/33/79/90/1349337990.db2.gz GVJBBGKBWYNLEL-HZPDHXFCSA-N 1 2 339.399 2.347 20 10 EECDLO CC[C@H]([NH2+]C[C@]1(OC)CCSC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053744 1350841053 /nfs/dbraw/zinc/84/10/53/1350841053.db2.gz DSPWLOOPCLZQRF-XJKSGUPXSA-N 1 2 349.460 2.135 20 10 EECDLO CC[C@H]([NH2+]CC1CCC(O)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056832 1350842593 /nfs/dbraw/zinc/84/25/93/1350842593.db2.gz WTORJFYHIMZJCT-QOZQQMKHSA-N 1 2 331.420 2.164 20 10 EECDLO CN(C)c1cc(F)c(CN2CCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000862229807 1369526091 /nfs/dbraw/zinc/52/60/91/1369526091.db2.gz NRULXWYDAUGQDK-HNNXBMFYSA-N 1 2 339.430 2.327 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2c(C)n(C)c3ccccc32)Cc2nnn(C)c21 ZINC001138253861 1372372065 /nfs/dbraw/zinc/37/20/65/1372372065.db2.gz JJYRLSZRPYQTDX-AWEZNQCLSA-N 1 2 339.443 2.361 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc32)Cc2nnn(C)c21 ZINC001138253861 1372372069 /nfs/dbraw/zinc/37/20/69/1372372069.db2.gz JJYRLSZRPYQTDX-AWEZNQCLSA-N 1 2 339.443 2.361 20 10 EECDLO CCN(CC)c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC001140850799 1372696195 /nfs/dbraw/zinc/69/61/95/1372696195.db2.gz UWCYIRNZLYGXHM-GOSISDBHSA-N 1 2 333.476 2.145 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000058126884 776778624 /nfs/dbraw/zinc/77/86/24/776778624.db2.gz FWBPBPUPBZRNJJ-CALCHBBNSA-N 1 2 345.487 2.322 20 10 EECDLO CCCNC(=O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708158972 786754500 /nfs/dbraw/zinc/75/45/00/786754500.db2.gz USYRHQYTLOSPIF-UHFFFAOYSA-N 1 2 335.629 2.424 20 10 EECDLO COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)cc1 ZINC000844602544 789253294 /nfs/dbraw/zinc/25/32/94/789253294.db2.gz LKTMUSITGTZFEG-JKSUJKDBSA-N 1 2 342.443 2.486 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000846441847 790183690 /nfs/dbraw/zinc/18/36/90/790183690.db2.gz DSXCFBQLNCHRHP-HNNXBMFYSA-N 1 2 342.443 2.049 20 10 EECDLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715737469 795491221 /nfs/dbraw/zinc/49/12/21/795491221.db2.gz JSLIHWRRMFRZJK-QMMMGPOBSA-N 1 2 333.201 2.108 20 10 EECDLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715737469 795491224 /nfs/dbraw/zinc/49/12/24/795491224.db2.gz JSLIHWRRMFRZJK-QMMMGPOBSA-N 1 2 333.201 2.108 20 10 EECDLO CC(C)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1=O ZINC000715737942 795491985 /nfs/dbraw/zinc/49/19/85/795491985.db2.gz ORFDDFINXBGJHT-GFCCVEGCSA-N 1 2 345.212 2.393 20 10 EECDLO CN(C)c1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000157028312 463091596 /nfs/dbraw/zinc/09/15/96/463091596.db2.gz RIBOCGOAJYYTFQ-CQSZACIVSA-N 1 2 326.437 2.043 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000157028312 463091604 /nfs/dbraw/zinc/09/16/04/463091604.db2.gz RIBOCGOAJYYTFQ-CQSZACIVSA-N 1 2 326.437 2.043 20 10 EECDLO CCC[N@H+](CC(=O)OCC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278141833 463956573 /nfs/dbraw/zinc/95/65/73/463956573.db2.gz AYPTXKDITXDROA-UHFFFAOYSA-N 1 2 326.349 2.084 20 10 EECDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278141833 463956579 /nfs/dbraw/zinc/95/65/79/463956579.db2.gz AYPTXKDITXDROA-UHFFFAOYSA-N 1 2 326.349 2.084 20 10 EECDLO CC[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc(Cl)c1O ZINC000287751766 463990397 /nfs/dbraw/zinc/99/03/97/463990397.db2.gz QHVFIDLJPQFDPJ-CYBMUJFWSA-N 1 2 335.853 2.148 20 10 EECDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 ZINC000279200503 464061988 /nfs/dbraw/zinc/06/19/88/464061988.db2.gz ARGAUGMQSZJZGZ-DNVCBOLYSA-N 1 2 345.487 2.210 20 10 EECDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 ZINC000279200503 464061994 /nfs/dbraw/zinc/06/19/94/464061994.db2.gz ARGAUGMQSZJZGZ-DNVCBOLYSA-N 1 2 345.487 2.210 20 10 EECDLO CN(C)c1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1 ZINC000291096723 464144828 /nfs/dbraw/zinc/14/48/28/464144828.db2.gz QNGUSJQMZSKTPP-UHFFFAOYSA-N 1 2 338.455 2.297 20 10 EECDLO CN(C)c1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1 ZINC000291096723 464144833 /nfs/dbraw/zinc/14/48/33/464144833.db2.gz QNGUSJQMZSKTPP-UHFFFAOYSA-N 1 2 338.455 2.297 20 10 EECDLO Cn1c[nH+]cc1CCC(=O)NCc1cccc(Br)c1O ZINC000282068792 464687723 /nfs/dbraw/zinc/68/77/23/464687723.db2.gz ZWVGLCQHAPBGLB-UHFFFAOYSA-N 1 2 338.205 2.137 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000295770880 464958317 /nfs/dbraw/zinc/95/83/17/464958317.db2.gz YMPCINMIVYTPKK-CQSZACIVSA-N 1 2 338.379 2.397 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000299733142 465875478 /nfs/dbraw/zinc/87/54/78/465875478.db2.gz YHSORRDKUKWLLO-UHFFFAOYSA-N 1 2 331.460 2.014 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOCC23CCCC3)cc1 ZINC000299733142 465875483 /nfs/dbraw/zinc/87/54/83/465875483.db2.gz YHSORRDKUKWLLO-UHFFFAOYSA-N 1 2 331.460 2.014 20 10 EECDLO COc1ccc(N2CCC(NC(=O)CCCn3cc[nH+]c3)CC2)cc1 ZINC000729359485 576636260 /nfs/dbraw/zinc/63/62/60/576636260.db2.gz GPQKOFIUMLGXSR-UHFFFAOYSA-N 1 2 342.443 2.457 20 10 EECDLO COCCN1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1=O ZINC000768471263 577556685 /nfs/dbraw/zinc/55/66/85/577556685.db2.gz LNSAURXOXCWZEU-UHFFFAOYSA-N 1 2 334.460 2.289 20 10 EECDLO COCCN1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1=O ZINC000768471263 577556686 /nfs/dbraw/zinc/55/66/86/577556686.db2.gz LNSAURXOXCWZEU-UHFFFAOYSA-N 1 2 334.460 2.289 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCCC[C@@H](C)CO)CC2)cc1 ZINC000759367963 577641747 /nfs/dbraw/zinc/64/17/47/577641747.db2.gz GNHLOFQHXKRZFI-OAHLLOKOSA-N 1 2 349.475 2.372 20 10 EECDLO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756578591 577847174 /nfs/dbraw/zinc/84/71/74/577847174.db2.gz WZAMKWDIDLJJBQ-ISVAXAHUSA-N 1 2 336.201 2.342 20 10 EECDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc([N+](=O)[O-])ccc1O ZINC000756845922 577851207 /nfs/dbraw/zinc/85/12/07/577851207.db2.gz VFKYOTKZURNRKZ-NSHDSACASA-N 1 2 332.360 2.297 20 10 EECDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+](CCCCO)CC2)c1O ZINC000750053007 577986360 /nfs/dbraw/zinc/98/63/60/577986360.db2.gz DRBKITRVYCKBSZ-UHFFFAOYSA-N 1 2 340.851 2.138 20 10 EECDLO COc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)c(O)c1OC ZINC000891540958 676692076 /nfs/dbraw/zinc/69/20/76/676692076.db2.gz XNPWOTXUCWYAKL-UHFFFAOYSA-N 1 2 334.338 2.089 20 10 EECDLO COc1ccc(N2CC[C@H](CNc3cc(N(C)C)nc[nH+]3)C2)cc1 ZINC000894269759 681853671 /nfs/dbraw/zinc/85/36/71/681853671.db2.gz VMHGVKXVONYHFL-CQSZACIVSA-N 1 2 327.432 2.490 20 10 EECDLO COc1ccc(C[NH2+]Cc2n[nH]cc2Br)c(O)c1OC ZINC000893028779 683592722 /nfs/dbraw/zinc/59/27/22/683592722.db2.gz MKTNUGTZBIWVSA-UHFFFAOYSA-N 1 2 342.193 2.185 20 10 EECDLO Oc1c(F)cc(F)cc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000895328660 684497816 /nfs/dbraw/zinc/49/78/16/684497816.db2.gz XEDUDPWAEXTCKO-UHFFFAOYSA-N 1 2 326.387 2.215 20 10 EECDLO Oc1c(F)cc(F)cc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000895328660 684497819 /nfs/dbraw/zinc/49/78/19/684497819.db2.gz XEDUDPWAEXTCKO-UHFFFAOYSA-N 1 2 326.387 2.215 20 10 EECDLO C[C@@H]1COCCN1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882978783 1201990035 /nfs/dbraw/zinc/99/00/35/1201990035.db2.gz BEVFVTTWWLNDFZ-SNVBAGLBSA-N 1 2 347.228 2.104 20 10 EECDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883079548 1202007767 /nfs/dbraw/zinc/00/77/67/1202007767.db2.gz WSTLWXYZXIWINS-ZYHUDNBSSA-N 1 2 345.212 2.298 20 10 EECDLO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ncco1 ZINC000924727461 1206024897 /nfs/dbraw/zinc/02/48/97/1206024897.db2.gz WDURGKDWGGQGFM-ZFWWWQNUSA-N 1 2 328.416 2.227 20 10 EECDLO Oc1c(Br)cccc1C[NH2+]CCC1(O)CCOCC1 ZINC000796464624 1218444985 /nfs/dbraw/zinc/44/49/85/1218444985.db2.gz CRUIFMBKTJYELN-UHFFFAOYSA-N 1 2 330.222 2.176 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000800535317 1234275526 /nfs/dbraw/zinc/27/55/26/1234275526.db2.gz YXEJFTXWKUYDFU-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000800535317 1234275530 /nfs/dbraw/zinc/27/55/30/1234275530.db2.gz YXEJFTXWKUYDFU-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c1O ZINC001204336276 1322114854 /nfs/dbraw/zinc/11/48/54/1322114854.db2.gz KSXRNTQVQTXNQO-JOYOIKCWSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c1O ZINC001204336276 1322114857 /nfs/dbraw/zinc/11/48/57/1322114857.db2.gz KSXRNTQVQTXNQO-JOYOIKCWSA-N 1 2 348.212 2.316 20 10 EECDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862252648 1295771914 /nfs/dbraw/zinc/77/19/14/1295771914.db2.gz VQXAATWPYQCGES-CYBMUJFWSA-N 1 2 332.169 2.242 20 10 EECDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862252648 1295771907 /nfs/dbraw/zinc/77/19/07/1295771907.db2.gz VQXAATWPYQCGES-CYBMUJFWSA-N 1 2 332.169 2.242 20 10 EECDLO CN(C)c1cc(F)c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1F ZINC000862335099 1295798145 /nfs/dbraw/zinc/79/81/45/1295798145.db2.gz XXYJCBSPYXAKGT-UHFFFAOYSA-N 1 2 337.414 2.475 20 10 EECDLO CN(C)c1cc(F)c(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1F ZINC000862335099 1295798155 /nfs/dbraw/zinc/79/81/55/1295798155.db2.gz XXYJCBSPYXAKGT-UHFFFAOYSA-N 1 2 337.414 2.475 20 10 EECDLO CC1(C)C[N@H+](Cc2c(O)cccc2Br)CCN1CCO ZINC000862335906 1295798750 /nfs/dbraw/zinc/79/87/50/1295798750.db2.gz VGKFKRKJTPKSPR-UHFFFAOYSA-N 1 2 343.265 2.043 20 10 EECDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)CCN1CCO ZINC000862335906 1295798759 /nfs/dbraw/zinc/79/87/59/1295798759.db2.gz VGKFKRKJTPKSPR-UHFFFAOYSA-N 1 2 343.265 2.043 20 10 EECDLO O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001276915056 1300243719 /nfs/dbraw/zinc/24/37/19/1300243719.db2.gz YGTHWGAWYGZGME-IFXJQAMLSA-N 1 2 346.402 2.023 20 10 EECDLO O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001276915056 1300243727 /nfs/dbraw/zinc/24/37/27/1300243727.db2.gz YGTHWGAWYGZGME-IFXJQAMLSA-N 1 2 346.402 2.023 20 10 EECDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)c(OC)c1 ZINC001276993706 1300719676 /nfs/dbraw/zinc/71/96/76/1300719676.db2.gz DLSTYCPCAYOEON-UHFFFAOYSA-N 1 2 341.411 2.127 20 10 EECDLO COc1ccc(N2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c(C)c1 ZINC001277018783 1300884657 /nfs/dbraw/zinc/88/46/57/1300884657.db2.gz PUDZWRIDEWDQNO-HDICACEKSA-N 1 2 327.428 2.421 20 10 EECDLO COc1ccc(N2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c(C)c1 ZINC001277018783 1300884671 /nfs/dbraw/zinc/88/46/71/1300884671.db2.gz PUDZWRIDEWDQNO-HDICACEKSA-N 1 2 327.428 2.421 20 10 EECDLO CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231912335 1303945508 /nfs/dbraw/zinc/94/55/08/1303945508.db2.gz DYZDDJGNNLLXFL-CYBMUJFWSA-N 1 2 326.824 2.163 20 10 EECDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014116 1304328667 /nfs/dbraw/zinc/32/86/67/1304328667.db2.gz ZUHYAEYXKJSKHZ-LBPRGKRZSA-N 1 2 338.404 2.293 20 10 EECDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014116 1304328671 /nfs/dbraw/zinc/32/86/71/1304328671.db2.gz ZUHYAEYXKJSKHZ-LBPRGKRZSA-N 1 2 338.404 2.293 20 10 EECDLO CCOC(=O)c1c(C[N@@H+]2CCC3(C2)OCCO3)c2ccccc2n1C ZINC001233272565 1304412424 /nfs/dbraw/zinc/41/24/24/1304412424.db2.gz PTDZVWNCMMWNRH-UHFFFAOYSA-N 1 2 344.411 2.304 20 10 EECDLO CCOC(=O)c1c(C[N@H+]2CCC3(C2)OCCO3)c2ccccc2n1C ZINC001233272565 1304412428 /nfs/dbraw/zinc/41/24/28/1304412428.db2.gz PTDZVWNCMMWNRH-UHFFFAOYSA-N 1 2 344.411 2.304 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001233336500 1304436505 /nfs/dbraw/zinc/43/65/05/1304436505.db2.gz NXHUDJDELOPAKA-JTQLQIEISA-N 1 2 325.290 2.253 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001233336500 1304436508 /nfs/dbraw/zinc/43/65/08/1304436508.db2.gz NXHUDJDELOPAKA-JTQLQIEISA-N 1 2 325.290 2.253 20 10 EECDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236921165 1305727232 /nfs/dbraw/zinc/72/72/32/1305727232.db2.gz AVMIDRZKYSAVDO-MRXNPFEDSA-N 1 2 337.851 2.016 20 10 EECDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236921165 1305727238 /nfs/dbraw/zinc/72/72/38/1305727238.db2.gz AVMIDRZKYSAVDO-MRXNPFEDSA-N 1 2 337.851 2.016 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1ccc(F)cn1 ZINC000829107717 1314487142 /nfs/dbraw/zinc/48/71/42/1314487142.db2.gz RSLZRLHYDUZJQN-IFXJQAMLSA-N 1 2 343.402 2.125 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1ccc(F)cn1 ZINC000829107717 1314487147 /nfs/dbraw/zinc/48/71/47/1314487147.db2.gz RSLZRLHYDUZJQN-IFXJQAMLSA-N 1 2 343.402 2.125 20 10 EECDLO CCOC(=O)c1cc2n(n1)CCC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137833174 1314499434 /nfs/dbraw/zinc/49/94/34/1314499434.db2.gz VYVQSEONIAZVKL-UHFFFAOYSA-N 1 2 333.363 2.310 20 10 EECDLO CCOC(=O)c1cc2n(n1)CCC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137833174 1314499436 /nfs/dbraw/zinc/49/94/36/1314499436.db2.gz VYVQSEONIAZVKL-UHFFFAOYSA-N 1 2 333.363 2.310 20 10 EECDLO FC1CCN(C2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC001138498711 1314622137 /nfs/dbraw/zinc/62/21/37/1314622137.db2.gz AJVXPFPJAVSPBO-UHFFFAOYSA-N 1 2 333.451 2.141 20 10 EECDLO COc1cccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)c1O ZINC000840257201 1315337484 /nfs/dbraw/zinc/33/74/84/1315337484.db2.gz YEVALSKBUGEYNJ-TZMCWYRMSA-N 1 2 344.415 2.010 20 10 EECDLO COc1cccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)c1O ZINC000840257201 1315337489 /nfs/dbraw/zinc/33/74/89/1315337489.db2.gz YEVALSKBUGEYNJ-TZMCWYRMSA-N 1 2 344.415 2.010 20 10 EECDLO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC001249743273 1317162273 /nfs/dbraw/zinc/16/22/73/1317162273.db2.gz IGUJMSHTSACLRR-WBVHZDCISA-N 1 2 335.400 2.087 20 10 EECDLO CCOC(=O)CCCOc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC001249743273 1317162279 /nfs/dbraw/zinc/16/22/79/1317162279.db2.gz IGUJMSHTSACLRR-WBVHZDCISA-N 1 2 335.400 2.087 20 10 EECDLO COc1cc(C[NH+]2CCN(c3ccc(C)cn3)CC2)cc(O)c1O ZINC001204345398 1322120063 /nfs/dbraw/zinc/12/00/63/1322120063.db2.gz QMXCNZFRQZFTSV-UHFFFAOYSA-N 1 2 329.400 2.132 20 10 EECDLO Oc1c(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)ccc(F)c1F ZINC001593539186 1349836401 /nfs/dbraw/zinc/83/64/01/1349836401.db2.gz RYKOEYBERJIKTA-UHFFFAOYSA-N 1 2 335.289 2.279 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000859943814 1369453196 /nfs/dbraw/zinc/45/31/96/1369453196.db2.gz MIUSQBJJBRZANI-UHFFFAOYSA-N 1 2 339.439 2.133 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC000859943814 1369453202 /nfs/dbraw/zinc/45/32/02/1369453202.db2.gz MIUSQBJJBRZANI-UHFFFAOYSA-N 1 2 339.439 2.133 20 10 EECDLO Oc1cc2c(cc1O)C[N@H+](Cc1cnc3c(c1)OCCO3)CCC2 ZINC001139736091 1372522946 /nfs/dbraw/zinc/52/29/46/1372522946.db2.gz PZSNESQLTYUMNN-UHFFFAOYSA-N 1 2 328.368 2.212 20 10 EECDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cnc3c(c1)OCCO3)CCC2 ZINC001139736091 1372522950 /nfs/dbraw/zinc/52/29/50/1372522950.db2.gz PZSNESQLTYUMNN-UHFFFAOYSA-N 1 2 328.368 2.212 20 10 EECDLO Oc1cc(O)c(CCNc2cc[nH+]c(OC3CCOCC3)c2)cc1O ZINC001168013643 781774753 /nfs/dbraw/zinc/77/47/53/781774753.db2.gz HZJPACUUBBCFOH-UHFFFAOYSA-N 1 2 346.383 2.411 20 10 EECDLO CC(C)NC(=O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708157225 786754643 /nfs/dbraw/zinc/75/46/43/786754643.db2.gz LRJXILSOORMPPB-UHFFFAOYSA-N 1 2 335.629 2.422 20 10 EECDLO Oc1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000708193790 786763962 /nfs/dbraw/zinc/76/39/62/786763962.db2.gz WUKYNCIPSBPCLV-GHMZBOCLSA-N 1 2 336.613 2.048 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c1O ZINC000824913615 788345743 /nfs/dbraw/zinc/34/57/43/788345743.db2.gz CKVYBGFSSAPODZ-ZDUSSCGKSA-N 1 2 347.864 2.453 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)c1O ZINC000824913615 788345749 /nfs/dbraw/zinc/34/57/49/788345749.db2.gz CKVYBGFSSAPODZ-ZDUSSCGKSA-N 1 2 347.864 2.453 20 10 EECDLO C[N@H+](CC(=O)N1CCCC1)Cc1cc(Br)cc(F)c1O ZINC000715760839 795500448 /nfs/dbraw/zinc/50/04/48/795500448.db2.gz RNULWTGLPBTTBU-UHFFFAOYSA-N 1 2 345.212 2.348 20 10 EECDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cc(Br)cc(F)c1O ZINC000715760839 795500455 /nfs/dbraw/zinc/50/04/55/795500455.db2.gz RNULWTGLPBTTBU-UHFFFAOYSA-N 1 2 345.212 2.348 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000793515624 810378570 /nfs/dbraw/zinc/37/85/70/810378570.db2.gz QFXMCMZDKORMQB-LJQANCHMSA-N 1 2 345.487 2.321 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000793515624 810378576 /nfs/dbraw/zinc/37/85/76/810378576.db2.gz QFXMCMZDKORMQB-LJQANCHMSA-N 1 2 345.487 2.321 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000140203271 463339328 /nfs/dbraw/zinc/33/93/28/463339328.db2.gz YAGDIUVUNHWAPH-GOSISDBHSA-N 1 2 325.412 2.044 20 10 EECDLO CCc1cc(=O)[nH]c(C[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000160498838 463344663 /nfs/dbraw/zinc/34/46/63/463344663.db2.gz UDLHDCGBXGETBF-UHFFFAOYSA-N 1 2 328.416 2.075 20 10 EECDLO CC[C@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cccc(Cl)c1O ZINC000287100452 463799600 /nfs/dbraw/zinc/79/96/00/463799600.db2.gz QBBHCBGKTIYANU-LBPRGKRZSA-N 1 2 338.795 2.165 20 10 EECDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000278454165 463966078 /nfs/dbraw/zinc/96/60/78/463966078.db2.gz YKUYSWXMDWBLBX-SNVBAGLBSA-N 1 2 338.282 2.054 20 10 EECDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000278454165 463966085 /nfs/dbraw/zinc/96/60/85/463966085.db2.gz YKUYSWXMDWBLBX-SNVBAGLBSA-N 1 2 338.282 2.054 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000349351107 466078736 /nfs/dbraw/zinc/07/87/36/466078736.db2.gz DWBCYLFILISQAJ-CQSZACIVSA-N 1 2 344.459 2.007 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777668770 577484587 /nfs/dbraw/zinc/48/45/87/577484587.db2.gz UVTFXWDWMCPDRY-CQSZACIVSA-N 1 2 340.427 2.282 20 10 EECDLO CCS(=O)(=O)NCCC[N@@H+]1CCCCc2cc(OC)ccc21 ZINC000766269625 577516190 /nfs/dbraw/zinc/51/61/90/577516190.db2.gz MMDUDTZIGVMWJD-UHFFFAOYSA-N 1 2 326.462 2.167 20 10 EECDLO CCS(=O)(=O)NCCC[N@H+]1CCCCc2cc(OC)ccc21 ZINC000766269625 577516191 /nfs/dbraw/zinc/51/61/91/577516191.db2.gz MMDUDTZIGVMWJD-UHFFFAOYSA-N 1 2 326.462 2.167 20 10 EECDLO CCN(CC)c1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000769480790 577578804 /nfs/dbraw/zinc/57/88/04/577578804.db2.gz PHQFQGLYBBXFRA-HSZRJFAPSA-N 1 2 337.533 2.029 20 10 EECDLO C[C@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1cc[nH+]c1 ZINC000752802937 577776380 /nfs/dbraw/zinc/77/63/80/577776380.db2.gz AFGGMWASIASCMC-MRXNPFEDSA-N 1 2 342.443 2.329 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)C[C@@](C)(O)C3CC3)CC2)cc1 ZINC000755841818 577832777 /nfs/dbraw/zinc/83/27/77/577832777.db2.gz PXJPPDNPOWPTHX-LJQANCHMSA-N 1 2 332.444 2.331 20 10 EECDLO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)[NH+](C)C)cc1 ZINC000891242359 676231828 /nfs/dbraw/zinc/23/18/28/676231828.db2.gz FQJVNPDAPGZTRA-QRVBRYPASA-N 1 2 345.487 2.287 20 10 EECDLO Cn1c[nH+]cc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000292424137 679741520 /nfs/dbraw/zinc/74/15/20/679741520.db2.gz UHIXPTOCKLIAIH-INIZCTEOSA-N 1 2 344.415 2.017 20 10 EECDLO COc1ccc(C[NH+]2CC(O)(c3ccc(F)cc3)C2)c(O)c1OC ZINC000894275853 681957996 /nfs/dbraw/zinc/95/79/96/681957996.db2.gz MZEBDMZJTCBYRO-UHFFFAOYSA-N 1 2 333.359 2.252 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCOC1 ZINC000894540031 682961687 /nfs/dbraw/zinc/96/16/87/682961687.db2.gz AUEUCUCWUIYRJA-BBRMVZONSA-N 1 2 337.416 2.157 20 10 EECDLO C[N@H+](CCOCCO)Cc1cc(Cl)cc(Br)c1O ZINC000894671313 683018593 /nfs/dbraw/zinc/01/85/93/683018593.db2.gz DLRSCULLARDOAV-UHFFFAOYSA-N 1 2 338.629 2.249 20 10 EECDLO C[N@@H+](CCOCCO)Cc1cc(Cl)cc(Br)c1O ZINC000894671313 683018598 /nfs/dbraw/zinc/01/85/98/683018598.db2.gz DLRSCULLARDOAV-UHFFFAOYSA-N 1 2 338.629 2.249 20 10 EECDLO CCC[N@@H+]1C[C@]2(F)CN(Cc3ccc(N(C)C)cc3)C(=O)[C@]2(F)C1 ZINC001272460985 1190832892 /nfs/dbraw/zinc/83/28/92/1190832892.db2.gz AREZJHHVHNPFCW-ZWKOTPCHSA-N 1 2 337.414 2.237 20 10 EECDLO CCC[N@H+]1C[C@]2(F)CN(Cc3ccc(N(C)C)cc3)C(=O)[C@]2(F)C1 ZINC001272460985 1190832895 /nfs/dbraw/zinc/83/28/95/1190832895.db2.gz AREZJHHVHNPFCW-ZWKOTPCHSA-N 1 2 337.414 2.237 20 10 EECDLO COc1ccc(O)c(CN2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000877707371 1200045529 /nfs/dbraw/zinc/04/55/29/1200045529.db2.gz RJZKAENKAUIMHM-UHFFFAOYSA-N 1 2 328.412 2.424 20 10 EECDLO Oc1ccc(CCNc2cc(N3CCSCC3)nc[nH+]2)cc1O ZINC000811811316 1200327029 /nfs/dbraw/zinc/32/70/29/1200327029.db2.gz RWQADSMWDDBJGZ-UHFFFAOYSA-N 1 2 332.429 2.096 20 10 EECDLO Oc1ccc(CCNc2cc(N3CCSCC3)[nH+]cn2)cc1O ZINC000811811316 1200327033 /nfs/dbraw/zinc/32/70/33/1200327033.db2.gz RWQADSMWDDBJGZ-UHFFFAOYSA-N 1 2 332.429 2.096 20 10 EECDLO COc1ccc(N2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)c(OC)c1 ZINC000879461971 1201080233 /nfs/dbraw/zinc/08/02/33/1201080233.db2.gz JHZSTFYEECSMRD-OAHLLOKOSA-N 1 2 348.365 2.139 20 10 EECDLO COC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000802310569 1237245159 /nfs/dbraw/zinc/24/51/59/1237245159.db2.gz ZRSDSZMGIKIBPU-IONNQARKSA-N 1 2 338.629 2.466 20 10 EECDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000796043562 1278496985 /nfs/dbraw/zinc/49/69/85/1278496985.db2.gz QFGJZAHMCLWKGY-QMMMGPOBSA-N 1 2 332.194 2.157 20 10 EECDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000796043562 1278496990 /nfs/dbraw/zinc/49/69/90/1278496990.db2.gz QFGJZAHMCLWKGY-QMMMGPOBSA-N 1 2 332.194 2.157 20 10 EECDLO Cc1cccc(C[NH+]2CC3(C2)CN(C2CCCC2)C(=O)CO3)c1O ZINC001273770597 1285294148 /nfs/dbraw/zinc/29/41/48/1285294148.db2.gz UTZLSLZQSMKJBA-UHFFFAOYSA-N 1 2 330.428 2.056 20 10 EECDLO COc1cccc(C(=O)N2CC[NH+](Cc3cccc(F)c3O)CC2)c1 ZINC000778996338 1291746149 /nfs/dbraw/zinc/74/61/49/1291746149.db2.gz MAFVVOGGEIKYOV-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000858316283 1294080700 /nfs/dbraw/zinc/08/07/00/1294080700.db2.gz QKFRXNOCIVTXNA-OAHLLOKOSA-N 1 2 326.400 2.174 20 10 EECDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231912283 1303945375 /nfs/dbraw/zinc/94/53/75/1303945375.db2.gz BXTXQUOLOHODNN-QWHCGFSZSA-N 1 2 342.823 2.115 20 10 EECDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231912283 1303945378 /nfs/dbraw/zinc/94/53/78/1303945378.db2.gz BXTXQUOLOHODNN-QWHCGFSZSA-N 1 2 342.823 2.115 20 10 EECDLO Oc1cc(CN2CC[NH+](Cc3ccccc3F)CC2)cc(O)c1O ZINC001233012638 1304327470 /nfs/dbraw/zinc/32/74/70/1304327470.db2.gz MEYUFUSDSXKTAH-UHFFFAOYSA-N 1 2 332.375 2.260 20 10 EECDLO Oc1c(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)ccc(F)c1F ZINC001233079828 1304353825 /nfs/dbraw/zinc/35/38/25/1304353825.db2.gz LIIPTFVUAGUMNG-LLVKDONJSA-N 1 2 325.290 2.253 20 10 EECDLO Oc1c(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)ccc(F)c1F ZINC001233079828 1304353828 /nfs/dbraw/zinc/35/38/28/1304353828.db2.gz LIIPTFVUAGUMNG-LLVKDONJSA-N 1 2 325.290 2.253 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1O ZINC001233287743 1304417630 /nfs/dbraw/zinc/41/76/30/1304417630.db2.gz GFSUUAWALUPHQB-LERXQTSPSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1O ZINC001233287743 1304417632 /nfs/dbraw/zinc/41/76/32/1304417632.db2.gz GFSUUAWALUPHQB-LERXQTSPSA-N 1 2 327.808 2.026 20 10 EECDLO O=C1NC[C@]2(CCC[N@@H+](Cc3cccc(C(F)(F)F)c3O)C2)O1 ZINC001233418810 1304462198 /nfs/dbraw/zinc/46/21/98/1304462198.db2.gz XDUUZDPCIBCYAA-AWEZNQCLSA-N 1 2 330.306 2.485 20 10 EECDLO O=C1NC[C@]2(CCC[N@H+](Cc3cccc(C(F)(F)F)c3O)C2)O1 ZINC001233418810 1304462202 /nfs/dbraw/zinc/46/22/02/1304462202.db2.gz XDUUZDPCIBCYAA-AWEZNQCLSA-N 1 2 330.306 2.485 20 10 EECDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236820989 1305689420 /nfs/dbraw/zinc/68/94/20/1305689420.db2.gz PYSRTLNTXSBAKH-AWEZNQCLSA-N 1 2 325.430 2.190 20 10 EECDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1c(C)cc(OC)cc1O ZINC001236820989 1305689423 /nfs/dbraw/zinc/68/94/23/1305689423.db2.gz PYSRTLNTXSBAKH-AWEZNQCLSA-N 1 2 325.430 2.190 20 10 EECDLO CN(C)C(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237940275 1306154468 /nfs/dbraw/zinc/15/44/68/1306154468.db2.gz JBTCUOCQFCRXQW-UHFFFAOYSA-N 1 2 329.803 2.420 20 10 EECDLO COC(=O)[C@H]1COCCC12C[NH+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237948718 1306157116 /nfs/dbraw/zinc/15/71/16/1306157116.db2.gz HCXZXIUKJRSVCA-LLVKDONJSA-N 1 2 343.782 2.196 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1cc(C)ccc1O ZINC001140619422 1314915873 /nfs/dbraw/zinc/91/58/73/1314915873.db2.gz CRQJSYGFCRTULY-QGZVFWFLSA-N 1 2 342.443 2.448 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140619422 1314915876 /nfs/dbraw/zinc/91/58/76/1314915876.db2.gz CRQJSYGFCRTULY-QGZVFWFLSA-N 1 2 342.443 2.448 20 10 EECDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001153048240 1316767149 /nfs/dbraw/zinc/76/71/49/1316767149.db2.gz WXOWXJAFFBUULS-LLVKDONJSA-N 1 2 344.375 2.226 20 10 EECDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cccc(F)c2O)[nH]1 ZINC001276537407 1323998711 /nfs/dbraw/zinc/99/87/11/1323998711.db2.gz GQEDYBNWKZXXDT-GASCZTMLSA-N 1 2 329.375 2.091 20 10 EECDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cccc(F)c2O)[nH]1 ZINC001276537407 1323998714 /nfs/dbraw/zinc/99/87/14/1323998714.db2.gz GQEDYBNWKZXXDT-GASCZTMLSA-N 1 2 329.375 2.091 20 10 EECDLO Oc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cc1Cl ZINC001276616685 1324808305 /nfs/dbraw/zinc/80/83/05/1324808305.db2.gz HRXQMJWFFBBHAI-OKILXGFUSA-N 1 2 348.834 2.323 20 10 EECDLO Oc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cc1Cl ZINC001276616685 1324808307 /nfs/dbraw/zinc/80/83/07/1324808307.db2.gz HRXQMJWFFBBHAI-OKILXGFUSA-N 1 2 348.834 2.323 20 10 EECDLO Oc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)cc1Cl ZINC001276616685 1324808312 /nfs/dbraw/zinc/80/83/12/1324808312.db2.gz HRXQMJWFFBBHAI-OKILXGFUSA-N 1 2 348.834 2.323 20 10 EECDLO Oc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)cc1Cl ZINC001276616685 1324808317 /nfs/dbraw/zinc/80/83/17/1324808317.db2.gz HRXQMJWFFBBHAI-OKILXGFUSA-N 1 2 348.834 2.323 20 10 EECDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)N1CCCCC1 ZINC001589959157 1349080105 /nfs/dbraw/zinc/08/01/05/1349080105.db2.gz NQXLHSUVODZKAF-STQMWFEESA-N 1 2 330.436 2.097 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961989 1349081807 /nfs/dbraw/zinc/08/18/07/1349081807.db2.gz FXOZDZHLYLNQIY-VXGBXAGGSA-N 1 2 330.436 2.096 20 10 EECDLO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)cc1 ZINC001590002745 1349103365 /nfs/dbraw/zinc/10/33/65/1349103365.db2.gz GTJHBTORVFOZSH-VXGBXAGGSA-N 1 2 339.399 2.476 20 10 EECDLO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604204423 1350892027 /nfs/dbraw/zinc/89/20/27/1350892027.db2.gz IWHVZBDNJBKNOD-CHWSQXEVSA-N 1 2 332.452 2.343 20 10 EECDLO CC(C)(C)OC(=O)N1CCOC2(C[NH+](Cc3ccccc3O)C2)C1 ZINC001203549865 790354932 /nfs/dbraw/zinc/35/49/32/790354932.db2.gz ADKJRKSCJFKEKS-UHFFFAOYSA-N 1 2 334.416 2.214 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)[C@@H]3CCOC3)CC2)c(C)c(C)[nH+]1 ZINC001089813134 776280157 /nfs/dbraw/zinc/28/01/57/776280157.db2.gz KOVLQVVDGATSOW-QGZVFWFLSA-N 1 2 344.459 2.081 20 10 EECDLO CC(=O)c1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)on1 ZINC000846766097 790520588 /nfs/dbraw/zinc/52/05/88/790520588.db2.gz LZGHLSIICASACS-UHFFFAOYSA-N 1 2 329.400 2.346 20 10 EECDLO CC(=O)c1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)on1 ZINC000846766097 790520598 /nfs/dbraw/zinc/52/05/98/790520598.db2.gz LZGHLSIICASACS-UHFFFAOYSA-N 1 2 329.400 2.346 20 10 EECDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000894054262 780471069 /nfs/dbraw/zinc/47/10/69/780471069.db2.gz KIXOJYOJFCGBMI-ZIAGYGMSSA-N 1 2 333.400 2.458 20 10 EECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000894054262 780471071 /nfs/dbraw/zinc/47/10/71/780471071.db2.gz KIXOJYOJFCGBMI-ZIAGYGMSSA-N 1 2 333.400 2.458 20 10 EECDLO COCC[NH+](CCOC)Cc1cc(Br)cc(F)c1O ZINC000715739273 795492419 /nfs/dbraw/zinc/49/24/19/795492419.db2.gz RRPMBNAVJFWRJM-UHFFFAOYSA-N 1 2 336.201 2.389 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCn1cncn1 ZINC000715795793 795505624 /nfs/dbraw/zinc/50/56/24/795505624.db2.gz JQOXDNNGDZRSMV-UHFFFAOYSA-N 1 2 329.173 2.065 20 10 EECDLO COCCOCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715819493 795537585 /nfs/dbraw/zinc/53/75/85/795537585.db2.gz WXNGKBATZVNOEG-UHFFFAOYSA-N 1 2 336.201 2.437 20 10 EECDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)N1CCCC1 ZINC000715824983 795538094 /nfs/dbraw/zinc/53/80/94/795538094.db2.gz BUWKJTNVMGQHAD-VIFPVBQESA-N 1 2 345.212 2.394 20 10 EECDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276674462 463715076 /nfs/dbraw/zinc/71/50/76/463715076.db2.gz ZRSGYFIIJUVSBU-GFCCVEGCSA-N 1 2 345.374 2.151 20 10 EECDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278327827 463962043 /nfs/dbraw/zinc/96/20/43/463962043.db2.gz GYBLCTROEOOAAA-SNVBAGLBSA-N 1 2 338.360 2.225 20 10 EECDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278327827 463962046 /nfs/dbraw/zinc/96/20/46/463962046.db2.gz GYBLCTROEOOAAA-SNVBAGLBSA-N 1 2 338.360 2.225 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1[N+](=O)[O-] ZINC000289861022 464098996 /nfs/dbraw/zinc/09/89/96/464098996.db2.gz VJCQSGVSDSYCMK-UHFFFAOYSA-N 1 2 346.339 2.409 20 10 EECDLO COc1c(O)c(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1[N+](=O)[O-] ZINC000289861022 464099001 /nfs/dbraw/zinc/09/90/01/464099001.db2.gz VJCQSGVSDSYCMK-UHFFFAOYSA-N 1 2 346.339 2.409 20 10 EECDLO COc1c(O)c(C[NH2+]Cc2noc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000290248641 464111868 /nfs/dbraw/zinc/11/18/68/464111868.db2.gz VMDQWTZMWPRQIM-UHFFFAOYSA-N 1 2 333.344 2.466 20 10 EECDLO O=C(CN1CC[NH+](Cc2cc(F)ccc2O)CC1)N1CCCCCC1 ZINC000179891888 464204902 /nfs/dbraw/zinc/20/49/02/464204902.db2.gz FLPWUIYQLXURRG-UHFFFAOYSA-N 1 2 349.450 2.052 20 10 EECDLO C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400680 464715435 /nfs/dbraw/zinc/71/54/35/464715435.db2.gz MXOSWUNTJNRZMX-HZSPNIEDSA-N 1 2 337.420 2.450 20 10 EECDLO C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400680 464715440 /nfs/dbraw/zinc/71/54/40/464715440.db2.gz MXOSWUNTJNRZMX-HZSPNIEDSA-N 1 2 337.420 2.450 20 10 EECDLO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273517969 464720177 /nfs/dbraw/zinc/72/01/77/464720177.db2.gz SXLCWBHZUBGTDF-KWQFWETISA-N 1 2 347.293 2.114 20 10 EECDLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)n1-c1ccccc1 ZINC000299431595 465745245 /nfs/dbraw/zinc/74/52/45/465745245.db2.gz MZRWJNSLGJEBDY-QGZVFWFLSA-N 1 2 327.428 2.155 20 10 EECDLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccccc1 ZINC000299431595 465745251 /nfs/dbraw/zinc/74/52/51/465745251.db2.gz MZRWJNSLGJEBDY-QGZVFWFLSA-N 1 2 327.428 2.155 20 10 EECDLO Oc1cc2c(cc1C[N@@H+]1CCc3nc(C4CC4)ncc3C1)[C@@H](O)CO2 ZINC000530107189 467951048 /nfs/dbraw/zinc/95/10/48/467951048.db2.gz XIIOAISMLHPDJU-KRWDZBQOSA-N 1 2 339.395 2.044 20 10 EECDLO Oc1cc2c(cc1C[N@H+]1CCc3nc(C4CC4)ncc3C1)[C@@H](O)CO2 ZINC000530107189 467951050 /nfs/dbraw/zinc/95/10/50/467951050.db2.gz XIIOAISMLHPDJU-KRWDZBQOSA-N 1 2 339.395 2.044 20 10 EECDLO COc1ccc([NH+]2CCC(Nc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000726594193 576278654 /nfs/dbraw/zinc/27/86/54/576278654.db2.gz JHIVGAMLBVWJPW-UHFFFAOYSA-N 1 2 331.376 2.418 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000731282633 577093010 /nfs/dbraw/zinc/09/30/10/577093010.db2.gz SMBCTALAXINHRW-OAHLLOKOSA-N 1 2 335.448 2.035 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000731282633 577093014 /nfs/dbraw/zinc/09/30/14/577093014.db2.gz SMBCTALAXINHRW-OAHLLOKOSA-N 1 2 335.448 2.035 20 10 EECDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000768252569 577552772 /nfs/dbraw/zinc/55/27/72/577552772.db2.gz UEYUOQVRFHUFIH-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc([N+](=O)[O-])ccc1O ZINC000756432287 577844092 /nfs/dbraw/zinc/84/40/92/577844092.db2.gz RUGDNNKXPZVKOR-LLVKDONJSA-N 1 2 340.343 2.127 20 10 EECDLO COc1cccc(CNC(=O)NCc2cn3ccccc3[nH+]2)c1O ZINC000745299350 577911663 /nfs/dbraw/zinc/91/16/63/577911663.db2.gz GWIAVHJOMAUENF-UHFFFAOYSA-N 1 2 326.356 2.048 20 10 EECDLO CCN(CC)C(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000121925393 678662784 /nfs/dbraw/zinc/66/27/84/678662784.db2.gz RBGILWHJPGHDNY-UHFFFAOYSA-N 1 2 339.867 2.032 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@H](C(N)=O)C1 ZINC000825567263 1198248125 /nfs/dbraw/zinc/24/81/25/1198248125.db2.gz GXOIVXQYBXUPPA-SKDRFNHKSA-N 1 2 327.222 2.241 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@H](C(N)=O)C1 ZINC000825567263 1198248129 /nfs/dbraw/zinc/24/81/29/1198248129.db2.gz GXOIVXQYBXUPPA-SKDRFNHKSA-N 1 2 327.222 2.241 20 10 EECDLO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883079546 1202007950 /nfs/dbraw/zinc/00/79/50/1202007950.db2.gz WSTLWXYZXIWINS-JQWIXIFHSA-N 1 2 345.212 2.298 20 10 EECDLO COC1(CC(=O)N2CCC23C[NH+](Cc2c(O)cccc2F)C3)CCC1 ZINC001276354164 1213898506 /nfs/dbraw/zinc/89/85/06/1213898506.db2.gz KTVMTEXBFIIEBU-UHFFFAOYSA-N 1 2 348.418 2.277 20 10 EECDLO Oc1c(I)cccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001237790331 1306092531 /nfs/dbraw/zinc/09/25/31/1306092531.db2.gz ZPFAHIWISMLTGL-ZDUSSCGKSA-N 1 2 345.180 2.362 20 10 EECDLO C[NH+]1CC2(C1)CCN(Cc1cc(Br)cc(F)c1O)C2 ZINC001235067600 1305103647 /nfs/dbraw/zinc/10/36/47/1305103647.db2.gz WYJOSRFBEJXRQT-UHFFFAOYSA-N 1 2 329.213 2.431 20 10 EECDLO Cc1cc(C[N@@H+]2CCc3onc(C(=O)N(C)C)c3C2)ccc1N(C)C ZINC001276929450 1300318193 /nfs/dbraw/zinc/31/81/93/1300318193.db2.gz XTTPNFKTUGIFNA-UHFFFAOYSA-N 1 2 342.443 2.309 20 10 EECDLO Cc1cc(C[N@H+]2CCc3onc(C(=O)N(C)C)c3C2)ccc1N(C)C ZINC001276929450 1300318205 /nfs/dbraw/zinc/31/82/05/1300318205.db2.gz XTTPNFKTUGIFNA-UHFFFAOYSA-N 1 2 342.443 2.309 20 10 EECDLO COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)C[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231843230 1303928856 /nfs/dbraw/zinc/92/88/56/1303928856.db2.gz SXWYERCMGQFQHW-SWLSCSKDSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)C[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231843230 1303928860 /nfs/dbraw/zinc/92/88/60/1303928860.db2.gz SXWYERCMGQFQHW-SWLSCSKDSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)c1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccn1 ZINC001232773593 1304239048 /nfs/dbraw/zinc/23/90/48/1304239048.db2.gz ZGKWSKKGZQPJDC-UHFFFAOYSA-N 1 2 328.368 2.228 20 10 EECDLO COC(=O)c1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)ccn1 ZINC001232773593 1304239058 /nfs/dbraw/zinc/23/90/58/1304239058.db2.gz ZGKWSKKGZQPJDC-UHFFFAOYSA-N 1 2 328.368 2.228 20 10 EECDLO CCCNC(=O)COC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001233080646 1304355848 /nfs/dbraw/zinc/35/58/48/1304355848.db2.gz ZDORSLQCHDBLFA-UHFFFAOYSA-N 1 2 342.386 2.178 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1O ZINC001233287744 1304417520 /nfs/dbraw/zinc/41/75/20/1304417520.db2.gz GFSUUAWALUPHQB-LEWSCRJBSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1O ZINC001233287744 1304417522 /nfs/dbraw/zinc/41/75/22/1304417522.db2.gz GFSUUAWALUPHQB-LEWSCRJBSA-N 1 2 327.808 2.026 20 10 EECDLO CCc1ccc(C[N@H+]2CCc3c(nnn3CC)[C@@H]2COC)c(O)c1 ZINC001236788193 1305674942 /nfs/dbraw/zinc/67/49/42/1305674942.db2.gz ZEIGUWSPONJSND-INIZCTEOSA-N 1 2 330.432 2.312 20 10 EECDLO CCc1ccc(C[N@@H+]2CCc3c(nnn3CC)[C@@H]2COC)c(O)c1 ZINC001236788193 1305674950 /nfs/dbraw/zinc/67/49/50/1305674950.db2.gz ZEIGUWSPONJSND-INIZCTEOSA-N 1 2 330.432 2.312 20 10 EECDLO O=C(Cc1ccsc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060245 1314806907 /nfs/dbraw/zinc/80/69/07/1314806907.db2.gz QUAZTGMUVCDWBZ-UHFFFAOYSA-N 1 2 334.416 2.480 20 10 EECDLO Nc1ccc(CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000841961732 1315644991 /nfs/dbraw/zinc/64/49/91/1315644991.db2.gz GYECNPSEFVDXPA-UHFFFAOYSA-N 1 2 344.484 2.400 20 10 EECDLO C[NH+]1CCN(c2ccc(C=C3SC(=S)NC3=O)cc2F)CC1 ZINC001319136013 1332654512 /nfs/dbraw/zinc/65/45/12/1332654512.db2.gz JQTOJIUVFLHXNW-UKTHLTGXSA-N 1 2 337.445 2.066 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC001319732823 1332753185 /nfs/dbraw/zinc/75/31/85/1332753185.db2.gz JFFZTOXCTMTEDO-UHFFFAOYSA-N 1 2 328.416 2.021 20 10 EECDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001335737013 1336420282 /nfs/dbraw/zinc/42/02/82/1336420282.db2.gz JOXAFXILROZDBY-OAHLLOKOSA-N 1 2 339.443 2.252 20 10 EECDLO CS(=O)(=O)N1CC[N@H+](Cc2ccc(N)cc2)Cc2ccccc21 ZINC001352790583 1338066727 /nfs/dbraw/zinc/06/67/27/1338066727.db2.gz RMYJCZCOSPQYDK-UHFFFAOYSA-N 1 2 331.441 2.051 20 10 EECDLO CS(=O)(=O)N1CC[N@@H+](Cc2ccc(N)cc2)Cc2ccccc21 ZINC001352790583 1338066729 /nfs/dbraw/zinc/06/67/29/1338066729.db2.gz RMYJCZCOSPQYDK-UHFFFAOYSA-N 1 2 331.441 2.051 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cccc(-c2nn[nH]n2)c1O ZINC001589974560 1349087331 /nfs/dbraw/zinc/08/73/31/1349087331.db2.gz YQXFWQQIMCZRMR-ZLENFMNRSA-N 1 2 329.404 2.325 20 10 EECDLO C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)CC1(C)OCCO1 ZINC001603552184 1350718993 /nfs/dbraw/zinc/71/89/93/1350718993.db2.gz SSLVZSUOUTWEGM-RYUDHWBXSA-N 1 2 347.419 2.012 20 10 EECDLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604612528 1350970151 /nfs/dbraw/zinc/97/01/51/1350970151.db2.gz IZGJQHHELHCEJO-GHMZBOCLSA-N 1 2 327.392 2.201 20 10 EECDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2cccc(F)c2O)C1 ZINC001138130497 1372354315 /nfs/dbraw/zinc/35/43/15/1372354315.db2.gz BJXKGJPPYKIXIJ-GXTWGEPZSA-N 1 2 347.390 2.484 20 10 EECDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138130497 1372354319 /nfs/dbraw/zinc/35/43/19/1372354319.db2.gz BJXKGJPPYKIXIJ-GXTWGEPZSA-N 1 2 347.390 2.484 20 10 EECDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000894024637 780439304 /nfs/dbraw/zinc/43/93/04/780439304.db2.gz KKDFSFGODUAGJO-LLVKDONJSA-N 1 2 338.276 2.265 20 10 EECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000894024637 780439313 /nfs/dbraw/zinc/43/93/13/780439313.db2.gz KKDFSFGODUAGJO-LLVKDONJSA-N 1 2 338.276 2.265 20 10 EECDLO COC(=O)C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCOCC1 ZINC000816516893 784091272 /nfs/dbraw/zinc/09/12/72/784091272.db2.gz VUDCSXPCSDJTSK-UHFFFAOYSA-N 1 2 331.771 2.339 20 10 EECDLO COC(=O)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCOCC1 ZINC000816516893 784091282 /nfs/dbraw/zinc/09/12/82/784091282.db2.gz VUDCSXPCSDJTSK-UHFFFAOYSA-N 1 2 331.771 2.339 20 10 EECDLO COc1ccc(N2CC[C@H](CNc3[nH+]cnc4c3cnn4C)C2)cc1 ZINC000819003461 785360969 /nfs/dbraw/zinc/36/09/69/785360969.db2.gz DCWDLRSKALUBCC-CYBMUJFWSA-N 1 2 338.415 2.310 20 10 EECDLO CCOC(=O)C[N@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1O ZINC000823576472 787802594 /nfs/dbraw/zinc/80/25/94/787802594.db2.gz PEGPXFZLHFPSPD-GOSISDBHSA-N 1 2 337.416 2.301 20 10 EECDLO CCOC(=O)C[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1O ZINC000823576472 787802608 /nfs/dbraw/zinc/80/26/08/787802608.db2.gz PEGPXFZLHFPSPD-GOSISDBHSA-N 1 2 337.416 2.301 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC12COC2 ZINC000824490015 788188141 /nfs/dbraw/zinc/18/81/41/788188141.db2.gz SIJSTJUPECXLDR-GFCCVEGCSA-N 1 2 325.792 2.057 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC12COC2 ZINC000824490015 788188144 /nfs/dbraw/zinc/18/81/44/788188144.db2.gz SIJSTJUPECXLDR-GFCCVEGCSA-N 1 2 325.792 2.057 20 10 EECDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824576069 788222027 /nfs/dbraw/zinc/22/20/27/788222027.db2.gz ZEQKGGNWYZYDOK-ZDUSSCGKSA-N 1 2 339.233 2.398 20 10 EECDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824576069 788222031 /nfs/dbraw/zinc/22/20/31/788222031.db2.gz ZEQKGGNWYZYDOK-ZDUSSCGKSA-N 1 2 339.233 2.398 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(O)cn3)CC2)cc1 ZINC001144263435 789480530 /nfs/dbraw/zinc/48/05/30/789480530.db2.gz ZUVZHGLWTJPKAJ-UHFFFAOYSA-N 1 2 343.427 2.135 20 10 EECDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCN(C(C)=O)C2)C1 ZINC001169556143 803842238 /nfs/dbraw/zinc/84/22/38/803842238.db2.gz PACFOEKTFYPFOA-CQSZACIVSA-N 1 2 327.428 2.166 20 10 EECDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H]2CCN(C(C)=O)C2)C1 ZINC001169556143 803842247 /nfs/dbraw/zinc/84/22/47/803842247.db2.gz PACFOEKTFYPFOA-CQSZACIVSA-N 1 2 327.428 2.166 20 10 EECDLO CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000127977947 462599916 /nfs/dbraw/zinc/59/99/16/462599916.db2.gz PDYXKJZDXYVVNF-MRXNPFEDSA-N 1 2 339.443 2.226 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)cc1F ZINC000058281845 463567176 /nfs/dbraw/zinc/56/71/76/463567176.db2.gz DMOCOQAJUFDXEQ-UHFFFAOYSA-N 1 2 339.374 2.402 20 10 EECDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179931751 464210574 /nfs/dbraw/zinc/21/05/74/464210574.db2.gz MEMRNKWEJWTNET-HNNXBMFYSA-N 1 2 349.450 2.050 20 10 EECDLO CCc1nocc1C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000293323505 464399960 /nfs/dbraw/zinc/39/99/60/464399960.db2.gz GCVUJHBZQYINSI-UHFFFAOYSA-N 1 2 330.432 2.051 20 10 EECDLO CCc1nocc1C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000293323505 464399970 /nfs/dbraw/zinc/39/99/70/464399970.db2.gz GCVUJHBZQYINSI-UHFFFAOYSA-N 1 2 330.432 2.051 20 10 EECDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000378367509 467280571 /nfs/dbraw/zinc/28/05/71/467280571.db2.gz DEJKPHSDVVMUKX-ZDUSSCGKSA-N 1 2 331.372 2.034 20 10 EECDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000378367509 467280575 /nfs/dbraw/zinc/28/05/75/467280575.db2.gz DEJKPHSDVVMUKX-ZDUSSCGKSA-N 1 2 331.372 2.034 20 10 EECDLO CN1C(=O)C(=CNc2ccc([NH+]3CCCCC3)cc2)C(=O)N(C)C1=O ZINC000031434024 523678236 /nfs/dbraw/zinc/67/82/36/523678236.db2.gz XDKQHMRAYXHJDN-UHFFFAOYSA-N 1 2 342.399 2.023 20 10 EECDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCCC3)cc2)nc[nH+]1 ZINC000298331553 525784614 /nfs/dbraw/zinc/78/46/14/525784614.db2.gz RXCHCVWEIFOUPP-AWEZNQCLSA-N 1 2 327.432 2.482 20 10 EECDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCCC3)cc2)[nH+]cn1 ZINC000298331553 525784623 /nfs/dbraw/zinc/78/46/23/525784623.db2.gz RXCHCVWEIFOUPP-AWEZNQCLSA-N 1 2 327.432 2.482 20 10 EECDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774823192 577419434 /nfs/dbraw/zinc/41/94/34/577419434.db2.gz QDSIJJDKVXOQRK-CYBMUJFWSA-N 1 2 338.360 2.227 20 10 EECDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774823192 577419435 /nfs/dbraw/zinc/41/94/35/577419435.db2.gz QDSIJJDKVXOQRK-CYBMUJFWSA-N 1 2 338.360 2.227 20 10 EECDLO COc1c(O)c(C[NH2+]Cc2cn3ccccc3n2)ccc1[N+](=O)[O-] ZINC000774941602 577424083 /nfs/dbraw/zinc/42/40/83/577424083.db2.gz BCHUQHKIAGYIRB-UHFFFAOYSA-N 1 2 328.328 2.247 20 10 EECDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000775603412 577440569 /nfs/dbraw/zinc/44/05/69/577440569.db2.gz BZJQMBFOZYOLOH-GOSISDBHSA-N 1 2 331.460 2.014 20 10 EECDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000775603412 577440570 /nfs/dbraw/zinc/44/05/70/577440570.db2.gz BZJQMBFOZYOLOH-GOSISDBHSA-N 1 2 331.460 2.014 20 10 EECDLO COC(=O)CCCc1nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775836629 577446905 /nfs/dbraw/zinc/44/69/05/577446905.db2.gz OOPVAHTVUHDRGL-ZDUSSCGKSA-N 1 2 346.431 2.482 20 10 EECDLO COc1ccc(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)cc1 ZINC000748605159 577964861 /nfs/dbraw/zinc/96/48/61/577964861.db2.gz PKJYGROPIBFKOR-UHFFFAOYSA-N 1 2 328.416 2.021 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000161032132 676686551 /nfs/dbraw/zinc/68/65/51/676686551.db2.gz HQFSRNPIAMYNHN-IBGZPJMESA-N 1 2 345.487 2.356 20 10 EECDLO OC[C@H]1CN(Cc2cc(F)c(F)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001142508766 1188207283 /nfs/dbraw/zinc/20/72/83/1188207283.db2.gz KQNIOJNNBCABNB-MRXNPFEDSA-N 1 2 348.393 2.349 20 10 EECDLO OC[C@H]1CN(Cc2cc(F)c(F)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001142508766 1188207289 /nfs/dbraw/zinc/20/72/89/1188207289.db2.gz KQNIOJNNBCABNB-MRXNPFEDSA-N 1 2 348.393 2.349 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000194458205 1211196652 /nfs/dbraw/zinc/19/66/52/1211196652.db2.gz RKMQZFCEROLAKJ-MRXNPFEDSA-N 1 2 348.491 2.053 20 10 EECDLO CCn1cc(C[NH2+]Cc2cc(C)cc(Br)c2O)nn1 ZINC000850366528 1277200930 /nfs/dbraw/zinc/20/09/30/1277200930.db2.gz FQRIIUQOYVWPBI-UHFFFAOYSA-N 1 2 325.210 2.364 20 10 EECDLO FC1(F)C[NH2+]CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001211346515 1295833424 /nfs/dbraw/zinc/83/34/24/1295833424.db2.gz IBAFXTMONBNNTO-UHFFFAOYSA-N 1 2 345.821 2.217 20 10 EECDLO CCn1nnc2c1CC[N@H+](Cc1c(C)cc(C)cc1O)[C@H]2COC ZINC001231843736 1303929037 /nfs/dbraw/zinc/92/90/37/1303929037.db2.gz FMWDKIGLNYFCJK-INIZCTEOSA-N 1 2 330.432 2.366 20 10 EECDLO CCn1nnc2c1CC[N@@H+](Cc1c(C)cc(C)cc1O)[C@H]2COC ZINC001231843736 1303929040 /nfs/dbraw/zinc/92/90/40/1303929040.db2.gz FMWDKIGLNYFCJK-INIZCTEOSA-N 1 2 330.432 2.366 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)c(O)c1 ZINC001232838767 1304265849 /nfs/dbraw/zinc/26/58/49/1304265849.db2.gz IVQLFTWPPGXRMG-UHFFFAOYSA-N 1 2 325.412 2.307 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCN(c3ccccc3)C(=O)C2)c(O)c1 ZINC001232838767 1304265856 /nfs/dbraw/zinc/26/58/56/1304265856.db2.gz IVQLFTWPPGXRMG-UHFFFAOYSA-N 1 2 325.412 2.307 20 10 EECDLO COc1cccc(N2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)n1 ZINC001233335615 1304434728 /nfs/dbraw/zinc/43/47/28/1304434728.db2.gz DFONJADLKGUZMD-UHFFFAOYSA-N 1 2 335.354 2.396 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cccc(C(F)(F)F)c3O)[C@@H]2C1 ZINC001233416490 1304462081 /nfs/dbraw/zinc/46/20/81/1304462081.db2.gz KCPSUWLYMOYHDE-ZLKJLUDKSA-N 1 2 331.334 2.383 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cccc(C(F)(F)F)c3O)[C@@H]2C1 ZINC001233416490 1304462083 /nfs/dbraw/zinc/46/20/83/1304462083.db2.gz KCPSUWLYMOYHDE-ZLKJLUDKSA-N 1 2 331.334 2.383 20 10 EECDLO CN(C)C(=O)CC[N@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235301799 1305182340 /nfs/dbraw/zinc/18/23/40/1305182340.db2.gz HMONTTRIWOWLLM-UHFFFAOYSA-N 1 2 333.201 2.204 20 10 EECDLO CN(C)C(=O)CC[N@@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235301799 1305182342 /nfs/dbraw/zinc/18/23/42/1305182342.db2.gz HMONTTRIWOWLLM-UHFFFAOYSA-N 1 2 333.201 2.204 20 10 EECDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236761700 1305662575 /nfs/dbraw/zinc/66/25/75/1305662575.db2.gz GODYFJOIMIVJPN-ZDUSSCGKSA-N 1 2 346.221 2.490 20 10 EECDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236761700 1305662583 /nfs/dbraw/zinc/66/25/83/1305662583.db2.gz GODYFJOIMIVJPN-ZDUSSCGKSA-N 1 2 346.221 2.490 20 10 EECDLO CC[N@H+](Cc1cc(O)c(Br)cc1O)[C@@H](C)C(=O)OC ZINC001236765423 1305666796 /nfs/dbraw/zinc/66/67/96/1305666796.db2.gz OQQPMRRYFBTVLS-QMMMGPOBSA-N 1 2 332.194 2.244 20 10 EECDLO CC[N@@H+](Cc1cc(O)c(Br)cc1O)[C@@H](C)C(=O)OC ZINC001236765423 1305666801 /nfs/dbraw/zinc/66/68/01/1305666801.db2.gz OQQPMRRYFBTVLS-QMMMGPOBSA-N 1 2 332.194 2.244 20 10 EECDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1Cl ZINC001236810278 1305685963 /nfs/dbraw/zinc/68/59/63/1305685963.db2.gz RHDSNMRRYWRMKL-GFCCVEGCSA-N 1 2 341.839 2.290 20 10 EECDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1Cl ZINC001236810278 1305685968 /nfs/dbraw/zinc/68/59/68/1305685968.db2.gz RHDSNMRRYWRMKL-GFCCVEGCSA-N 1 2 341.839 2.290 20 10 EECDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC001237117543 1305799374 /nfs/dbraw/zinc/79/93/74/1305799374.db2.gz QOEXLCAHKORIKO-AWEZNQCLSA-N 1 2 333.306 2.282 20 10 EECDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001237117543 1305799380 /nfs/dbraw/zinc/79/93/80/1305799380.db2.gz QOEXLCAHKORIKO-AWEZNQCLSA-N 1 2 333.306 2.282 20 10 EECDLO O=C1C[N@@H+](Cc2c(O)cccc2Br)CC2(CCCC2)N1 ZINC001140102371 1314811861 /nfs/dbraw/zinc/81/18/61/1314811861.db2.gz OCKZSVOVDWSOAB-UHFFFAOYSA-N 1 2 339.233 2.399 20 10 EECDLO O=C1C[N@H+](Cc2c(O)cccc2Br)CC2(CCCC2)N1 ZINC001140102371 1314811866 /nfs/dbraw/zinc/81/18/66/1314811866.db2.gz OCKZSVOVDWSOAB-UHFFFAOYSA-N 1 2 339.233 2.399 20 10 EECDLO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531049 1315652620 /nfs/dbraw/zinc/65/26/20/1315652620.db2.gz ODSLWSOLZTULSW-ZDUSSCGKSA-N 1 2 342.386 2.130 20 10 EECDLO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531049 1315652623 /nfs/dbraw/zinc/65/26/23/1315652623.db2.gz ODSLWSOLZTULSW-ZDUSSCGKSA-N 1 2 342.386 2.130 20 10 EECDLO COc1cccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1O ZINC001203596503 1321919373 /nfs/dbraw/zinc/91/93/73/1321919373.db2.gz DZENKPZPEXFMOD-QWHCGFSZSA-N 1 2 340.395 2.448 20 10 EECDLO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1O ZINC001203596503 1321919375 /nfs/dbraw/zinc/91/93/75/1321919375.db2.gz DZENKPZPEXFMOD-QWHCGFSZSA-N 1 2 340.395 2.448 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(CC)c21 ZINC001203931657 1321993330 /nfs/dbraw/zinc/99/33/30/1321993330.db2.gz KSHBQFQJWKOHIF-MRXNPFEDSA-N 1 2 343.475 2.500 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(CC)c21 ZINC001203931657 1321993334 /nfs/dbraw/zinc/99/33/34/1321993334.db2.gz KSHBQFQJWKOHIF-MRXNPFEDSA-N 1 2 343.475 2.500 20 10 EECDLO COc1cc(Br)cc(C[NH+]2CCN(CCF)CC2)c1O ZINC001204339781 1322113817 /nfs/dbraw/zinc/11/38/17/1322113817.db2.gz UBDPBVFKRLSPBG-UHFFFAOYSA-N 1 2 347.228 2.250 20 10 EECDLO CCC[N@H+](Cc1nc(-c2nn[nH]n2)cs1)Cc1ccccc1O ZINC001609214536 1351896455 /nfs/dbraw/zinc/89/64/55/1351896455.db2.gz NHFZUJIRSWMNAV-UHFFFAOYSA-N 1 2 330.417 2.441 20 10 EECDLO CCC[N@@H+](Cc1nc(-c2nn[nH]n2)cs1)Cc1ccccc1O ZINC001609214536 1351896460 /nfs/dbraw/zinc/89/64/60/1351896460.db2.gz NHFZUJIRSWMNAV-UHFFFAOYSA-N 1 2 330.417 2.441 20 10 EECDLO CNc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc[nH+]1 ZINC001351949142 1337870868 /nfs/dbraw/zinc/87/08/68/1337870868.db2.gz BOFSOGASTUVJAS-UHFFFAOYSA-N 1 2 327.432 2.339 20 10 EECDLO CNc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)[nH+]cn1 ZINC001351949142 1337870873 /nfs/dbraw/zinc/87/08/73/1337870873.db2.gz BOFSOGASTUVJAS-UHFFFAOYSA-N 1 2 327.432 2.339 20 10 EECDLO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603649858 1350733936 /nfs/dbraw/zinc/73/39/36/1350733936.db2.gz HBQZRZFCBHBCHB-BXUZGUMPSA-N 1 2 329.404 2.325 20 10 EECDLO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603649859 1350734393 /nfs/dbraw/zinc/73/43/93/1350734393.db2.gz HBQZRZFCBHBCHB-FZMZJTMJSA-N 1 2 329.404 2.325 20 10 EECDLO Oc1cc(Cl)ccc1C[N@@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001140463300 1372580687 /nfs/dbraw/zinc/58/06/87/1372580687.db2.gz ZHSSUCSMUXFTLE-LBPRGKRZSA-N 1 2 325.714 2.171 20 10 EECDLO Oc1cc(Cl)ccc1C[N@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001140463300 1372580690 /nfs/dbraw/zinc/58/06/90/1372580690.db2.gz ZHSSUCSMUXFTLE-LBPRGKRZSA-N 1 2 325.714 2.171 20 10 EECDLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141030695 1372745061 /nfs/dbraw/zinc/74/50/61/1372745061.db2.gz HBAZICZVFMSMKT-ZBEGNZNMSA-N 1 2 325.405 2.429 20 10 EECDLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141030695 1372745065 /nfs/dbraw/zinc/74/50/65/1372745065.db2.gz HBAZICZVFMSMKT-ZBEGNZNMSA-N 1 2 325.405 2.429 20 10 EECDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000894024638 780439230 /nfs/dbraw/zinc/43/92/30/780439230.db2.gz KKDFSFGODUAGJO-NSHDSACASA-N 1 2 338.276 2.265 20 10 EECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000894024638 780439238 /nfs/dbraw/zinc/43/92/38/780439238.db2.gz KKDFSFGODUAGJO-NSHDSACASA-N 1 2 338.276 2.265 20 10 EECDLO CC1(c2cc[nH+]c(NCCc3cc(O)c(O)cc3O)c2)OCCO1 ZINC001168005719 781639612 /nfs/dbraw/zinc/63/96/12/781639612.db2.gz FSFZTVNCLJGPAS-UHFFFAOYSA-N 1 2 332.356 2.073 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC12COC2 ZINC000824488918 788188683 /nfs/dbraw/zinc/18/86/83/788188683.db2.gz BVHRHAHTDKNUHO-GFCCVEGCSA-N 1 2 343.782 2.196 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC12COC2 ZINC000824488918 788188688 /nfs/dbraw/zinc/18/86/88/788188688.db2.gz BVHRHAHTDKNUHO-GFCCVEGCSA-N 1 2 343.782 2.196 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000846448177 790172524 /nfs/dbraw/zinc/17/25/24/790172524.db2.gz ZHFVBHSHWKKELA-OAHLLOKOSA-N 1 2 342.443 2.049 20 10 EECDLO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715758157 795495630 /nfs/dbraw/zinc/49/56/30/795495630.db2.gz IRZUIGTUJRVOOX-HQJQHLMTSA-N 1 2 338.242 2.496 20 10 EECDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300248 796124735 /nfs/dbraw/zinc/12/47/35/796124735.db2.gz WIQYMPWCZLSUBM-MRVPVSSYSA-N 1 2 332.169 2.289 20 10 EECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300248 796124739 /nfs/dbraw/zinc/12/47/39/796124739.db2.gz WIQYMPWCZLSUBM-MRVPVSSYSA-N 1 2 332.169 2.289 20 10 EECDLO CC(C)[C@@]1(C)NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000917423449 798217239 /nfs/dbraw/zinc/21/72/39/798217239.db2.gz YKXSCVDLOHLRMP-GOSISDBHSA-N 1 2 332.448 2.108 20 10 EECDLO CC(C)[C@@]1(C)NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000917423449 798217241 /nfs/dbraw/zinc/21/72/41/798217241.db2.gz YKXSCVDLOHLRMP-GOSISDBHSA-N 1 2 332.448 2.108 20 10 EECDLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(N2CCOCC2)cc1 ZINC000793209132 810208146 /nfs/dbraw/zinc/20/81/46/810208146.db2.gz NCURBHGYLTYBKP-HNNXBMFYSA-N 1 2 342.443 2.067 20 10 EECDLO CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(Cl)c1O ZINC000806140078 811764203 /nfs/dbraw/zinc/76/42/03/811764203.db2.gz GSWBTPNCXJLNAB-CYBMUJFWSA-N 1 2 347.864 2.026 20 10 EECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)c1 ZINC000282799009 464954434 /nfs/dbraw/zinc/95/44/34/464954434.db2.gz QQJGHRAHIVQAOT-LLVKDONJSA-N 1 2 332.404 2.376 20 10 EECDLO CC(=O)NC1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000297446095 465256822 /nfs/dbraw/zinc/25/68/22/465256822.db2.gz OONUDJACSRVVNW-UHFFFAOYSA-N 1 2 326.396 2.292 20 10 EECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(Cc3ccncc3)CC2)c1O ZINC000153122198 462617585 /nfs/dbraw/zinc/61/75/85/462617585.db2.gz MOPGLEXEZDYMNQ-UHFFFAOYSA-N 1 2 343.402 2.447 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000066703965 462922049 /nfs/dbraw/zinc/92/20/49/462922049.db2.gz INVRPUUERCMEKI-HOTGVXAUSA-N 1 2 349.475 2.423 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278854832 463999911 /nfs/dbraw/zinc/99/99/11/463999911.db2.gz LIJQOIATTSQQLT-LBPRGKRZSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278854832 463999916 /nfs/dbraw/zinc/99/99/16/463999916.db2.gz LIJQOIATTSQQLT-LBPRGKRZSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278854832 463999921 /nfs/dbraw/zinc/99/99/21/463999921.db2.gz LIJQOIATTSQQLT-LBPRGKRZSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278854832 463999926 /nfs/dbraw/zinc/99/99/26/463999926.db2.gz LIJQOIATTSQQLT-LBPRGKRZSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000278854832 463999932 /nfs/dbraw/zinc/99/99/32/463999932.db2.gz LIJQOIATTSQQLT-LBPRGKRZSA-N 1 2 347.375 2.115 20 10 EECDLO COc1c(O)c(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000278854832 463999934 /nfs/dbraw/zinc/99/99/34/463999934.db2.gz LIJQOIATTSQQLT-LBPRGKRZSA-N 1 2 347.375 2.115 20 10 EECDLO Cc1cc(N)nc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)[nH+]1 ZINC000198326555 464087476 /nfs/dbraw/zinc/08/74/76/464087476.db2.gz LFBAMSMTGWELLC-UHFFFAOYSA-N 1 2 345.472 2.184 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3ccnc(C)n3)CC2)cc1 ZINC000726561526 576274211 /nfs/dbraw/zinc/27/42/11/576274211.db2.gz BWTKBLXSPSPUDY-UHFFFAOYSA-N 1 2 326.400 2.192 20 10 EECDLO C[N@H+](Cc1nccn1C(F)F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441287 577555649 /nfs/dbraw/zinc/55/56/49/577555649.db2.gz IXAARIGNIZQYAQ-LBPRGKRZSA-N 1 2 325.315 2.042 20 10 EECDLO C[N@@H+](Cc1nccn1C(F)F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441287 577555650 /nfs/dbraw/zinc/55/56/50/577555650.db2.gz IXAARIGNIZQYAQ-LBPRGKRZSA-N 1 2 325.315 2.042 20 10 EECDLO Nc1ccc(Cc2nc(C(=O)OCCn3cc[nH+]c3)cs2)cc1 ZINC000751932919 577762664 /nfs/dbraw/zinc/76/26/64/577762664.db2.gz ZIPKQVUWMIMWCV-UHFFFAOYSA-N 1 2 328.397 2.370 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000754738326 577811806 /nfs/dbraw/zinc/81/18/06/577811806.db2.gz XWSWXSHNBRKRKQ-OAHLLOKOSA-N 1 2 337.416 2.252 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000754738326 577811807 /nfs/dbraw/zinc/81/18/07/577811807.db2.gz XWSWXSHNBRKRKQ-OAHLLOKOSA-N 1 2 337.416 2.252 20 10 EECDLO O=C(NCc1cccc(Cl)c1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000890759772 675595599 /nfs/dbraw/zinc/59/55/99/675595599.db2.gz QYGQSYVCEFZTNM-HNNXBMFYSA-N 1 2 338.835 2.305 20 10 EECDLO O=C(NCc1cccc(Cl)c1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000890759772 675595600 /nfs/dbraw/zinc/59/56/00/675595600.db2.gz QYGQSYVCEFZTNM-HNNXBMFYSA-N 1 2 338.835 2.305 20 10 EECDLO CN(C)c1ccc([C@@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C)cc1 ZINC000891249736 676244569 /nfs/dbraw/zinc/24/45/69/676244569.db2.gz WDRJCEVPFHHDCB-CHWSQXEVSA-N 1 2 335.345 2.372 20 10 EECDLO CN(C)c1ccc([C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH+](C)C)cc1 ZINC000891249736 676244570 /nfs/dbraw/zinc/24/45/70/676244570.db2.gz WDRJCEVPFHHDCB-CHWSQXEVSA-N 1 2 335.345 2.372 20 10 EECDLO CCS(=O)(=O)N1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000052088226 678820761 /nfs/dbraw/zinc/82/07/61/678820761.db2.gz QXKMMMMVXYEYMN-UHFFFAOYSA-N 1 2 340.489 2.291 20 10 EECDLO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(O)c1O ZINC000177675963 681443402 /nfs/dbraw/zinc/44/34/02/681443402.db2.gz GPMCRHKOCOPRHX-UHFFFAOYSA-N 1 2 342.395 2.491 20 10 EECDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H](C)[S@]1=O ZINC000894407979 682846394 /nfs/dbraw/zinc/84/63/94/682846394.db2.gz PEKKPDFFZNNXEE-WBVVSNMSSA-N 1 2 327.446 2.141 20 10 EECDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H](C)[S@]1=O ZINC000894407979 682846397 /nfs/dbraw/zinc/84/63/97/682846397.db2.gz PEKKPDFFZNNXEE-WBVVSNMSSA-N 1 2 327.446 2.141 20 10 EECDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CN(C)CCO1 ZINC000883051985 1202003494 /nfs/dbraw/zinc/00/34/94/1202003494.db2.gz VIWFBZMYLIGGJS-ZANVPECISA-N 1 2 347.228 2.103 20 10 EECDLO CN1C[C@@]2(F)C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@]2(F)C1=O ZINC001274380655 1205015863 /nfs/dbraw/zinc/01/58/63/1205015863.db2.gz FYWFQYFDQVFTCP-QZTJIDSGSA-N 1 2 338.398 2.394 20 10 EECDLO CN1C[C@@]2(F)C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@]2(F)C1=O ZINC001274380655 1205015866 /nfs/dbraw/zinc/01/58/66/1205015866.db2.gz FYWFQYFDQVFTCP-QZTJIDSGSA-N 1 2 338.398 2.394 20 10 EECDLO CN1CCOc2cc(CN3CC4(C3)C[NH+](Cc3ccc[nH]3)C4)ccc21 ZINC001275419485 1205350280 /nfs/dbraw/zinc/35/02/80/1205350280.db2.gz KOLOEWCKFWSHTI-UHFFFAOYSA-N 1 2 338.455 2.161 20 10 EECDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862382926 1295818191 /nfs/dbraw/zinc/81/81/91/1295818191.db2.gz DJCMGXGISGTBSM-LBPRGKRZSA-N 1 2 327.375 2.303 20 10 EECDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862382926 1295818199 /nfs/dbraw/zinc/81/81/99/1295818199.db2.gz DJCMGXGISGTBSM-LBPRGKRZSA-N 1 2 327.375 2.303 20 10 EECDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)cc1F ZINC001277009801 1300798361 /nfs/dbraw/zinc/79/83/61/1300798361.db2.gz MMZRURQHULCOGL-UHFFFAOYSA-N 1 2 329.375 2.257 20 10 EECDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccc(O)cc2O)c1C ZINC001277192639 1301745677 /nfs/dbraw/zinc/74/56/77/1301745677.db2.gz RRTUOIOPGAMBES-SCLBCKFNSA-N 1 2 343.383 2.306 20 10 EECDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccc(O)cc2O)c1C ZINC001277192639 1301745680 /nfs/dbraw/zinc/74/56/80/1301745680.db2.gz RRTUOIOPGAMBES-SCLBCKFNSA-N 1 2 343.383 2.306 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(Cl)c1 ZINC001236795083 1305678608 /nfs/dbraw/zinc/67/86/08/1305678608.db2.gz IMQWXKDBUOTLFI-DRZCJDIDSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(Cl)c1 ZINC001236795083 1305678612 /nfs/dbraw/zinc/67/86/12/1305678612.db2.gz IMQWXKDBUOTLFI-DRZCJDIDSA-N 1 2 327.808 2.026 20 10 EECDLO COc1ccc(C[N@H+](C)C2CCN(C(C)=O)CC2)c(O)c1Cl ZINC001236811873 1305684852 /nfs/dbraw/zinc/68/48/52/1305684852.db2.gz QLWYBWMISBMEKU-UHFFFAOYSA-N 1 2 326.824 2.497 20 10 EECDLO COc1ccc(C[N@@H+](C)C2CCN(C(C)=O)CC2)c(O)c1Cl ZINC001236811873 1305684861 /nfs/dbraw/zinc/68/48/61/1305684861.db2.gz QLWYBWMISBMEKU-UHFFFAOYSA-N 1 2 326.824 2.497 20 10 EECDLO C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)n1cc[nH+]c1 ZINC001116361145 1305877918 /nfs/dbraw/zinc/87/79/18/1305877918.db2.gz IKGUFQCJXHKSRT-ZBFHGGJFSA-N 1 2 329.400 2.358 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1Br ZINC001237682275 1306043739 /nfs/dbraw/zinc/04/37/39/1306043739.db2.gz PKORZJGENRSITH-LLVKDONJSA-N 1 2 341.205 2.100 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1Br ZINC001237682275 1306043751 /nfs/dbraw/zinc/04/37/51/1306043751.db2.gz PKORZJGENRSITH-LLVKDONJSA-N 1 2 341.205 2.100 20 10 EECDLO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1O ZINC000831796373 1314614082 /nfs/dbraw/zinc/61/40/82/1314614082.db2.gz NZBGNIMDXFOYGE-TXEJJXNPSA-N 1 2 340.851 2.135 20 10 EECDLO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1O ZINC000831796373 1314614086 /nfs/dbraw/zinc/61/40/86/1314614086.db2.gz NZBGNIMDXFOYGE-TXEJJXNPSA-N 1 2 340.851 2.135 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001139133185 1314709275 /nfs/dbraw/zinc/70/92/75/1314709275.db2.gz DIBUSOGTSZIWFK-CYBMUJFWSA-N 1 2 340.383 2.236 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001139133185 1314709277 /nfs/dbraw/zinc/70/92/77/1314709277.db2.gz DIBUSOGTSZIWFK-CYBMUJFWSA-N 1 2 340.383 2.236 20 10 EECDLO O=S(=O)(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141159439 1315051245 /nfs/dbraw/zinc/05/12/45/1315051245.db2.gz GQGHDRLXIFNSJX-MRXNPFEDSA-N 1 2 333.409 2.146 20 10 EECDLO O=S(=O)(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159439 1315051246 /nfs/dbraw/zinc/05/12/46/1315051246.db2.gz GQGHDRLXIFNSJX-MRXNPFEDSA-N 1 2 333.409 2.146 20 10 EECDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccccc3O)nc[nH+]2)C1 ZINC000840281745 1315344373 /nfs/dbraw/zinc/34/43/73/1315344373.db2.gz ZLERUOKOVNBUES-UONOGXRCSA-N 1 2 328.416 2.026 20 10 EECDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccccc3O)[nH+]cn2)C1 ZINC000840281745 1315344377 /nfs/dbraw/zinc/34/43/77/1315344377.db2.gz ZLERUOKOVNBUES-UONOGXRCSA-N 1 2 328.416 2.026 20 10 EECDLO COc1c(C)c[nH+]c(CNC(=O)NCCc2ccc(N)cc2)c1C ZINC000841763799 1315609674 /nfs/dbraw/zinc/60/96/74/1315609674.db2.gz BPRXYKFYRWJZDE-UHFFFAOYSA-N 1 2 328.416 2.331 20 10 EECDLO C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000841958550 1315644438 /nfs/dbraw/zinc/64/44/38/1315644438.db2.gz GGDWCZYEBSEXOL-YOEHRIQHSA-N 1 2 327.432 2.301 20 10 EECDLO CC1(N2CCOCC2)CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142524937 1315650415 /nfs/dbraw/zinc/65/04/15/1315650415.db2.gz QGZOKQZCZBFHAW-UHFFFAOYSA-N 1 2 326.387 2.357 20 10 EECDLO CC1([NH+]2CCOCC2)CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142524937 1315650419 /nfs/dbraw/zinc/65/04/19/1315650419.db2.gz QGZOKQZCZBFHAW-UHFFFAOYSA-N 1 2 326.387 2.357 20 10 EECDLO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530647 1315652493 /nfs/dbraw/zinc/65/24/93/1315652493.db2.gz IXPVQWOWZFKBGK-LBPRGKRZSA-N 1 2 327.375 2.342 20 10 EECDLO CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530647 1315652497 /nfs/dbraw/zinc/65/24/97/1315652497.db2.gz IXPVQWOWZFKBGK-LBPRGKRZSA-N 1 2 327.375 2.342 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1)c1ccncc1 ZINC001142531257 1315652726 /nfs/dbraw/zinc/65/27/26/1315652726.db2.gz QIJJXZLOGHFFKQ-CQSZACIVSA-N 1 2 347.365 2.460 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1)c1ccncc1 ZINC001142531257 1315652729 /nfs/dbraw/zinc/65/27/29/1315652729.db2.gz QIJJXZLOGHFFKQ-CQSZACIVSA-N 1 2 347.365 2.460 20 10 EECDLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000842912122 1315797824 /nfs/dbraw/zinc/79/78/24/1315797824.db2.gz QWYVVUUHOAHPRJ-NZXMKCKXSA-N 1 2 334.185 2.358 20 10 EECDLO Cc1cc(C[N@@H+]2CCC3(C2)OCCO3)c(O)cc1Br ZINC001250128562 1317216743 /nfs/dbraw/zinc/21/67/43/1317216743.db2.gz FHDHUOSVVQLQEA-UHFFFAOYSA-N 1 2 328.206 2.412 20 10 EECDLO Cc1cc(C[N@H+]2CCC3(C2)OCCO3)c(O)cc1Br ZINC001250128562 1317216746 /nfs/dbraw/zinc/21/67/46/1317216746.db2.gz FHDHUOSVVQLQEA-UHFFFAOYSA-N 1 2 328.206 2.412 20 10 EECDLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931472 1321993307 /nfs/dbraw/zinc/99/33/07/1321993307.db2.gz QUUWYZYKVHDEIQ-HNNXBMFYSA-N 1 2 329.448 2.110 20 10 EECDLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931472 1321993309 /nfs/dbraw/zinc/99/33/09/1321993309.db2.gz QUUWYZYKVHDEIQ-HNNXBMFYSA-N 1 2 329.448 2.110 20 10 EECDLO O[C@H](CNc1ccccc1OCc1ccccc1)C[NH+]1CCOCC1 ZINC000381119857 1322489684 /nfs/dbraw/zinc/48/96/84/1322489684.db2.gz AKAHWMLAJIJMLX-GOSISDBHSA-N 1 2 342.439 2.371 20 10 EECDLO O=C(Nc1cccnc1)N1CC2(C1)C[NH+](Cc1cccc(F)c1O)C2 ZINC001276538916 1324006684 /nfs/dbraw/zinc/00/66/84/1324006684.db2.gz KBFYNDMFQAFHPY-UHFFFAOYSA-N 1 2 342.374 2.276 20 10 EECDLO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978545 1349090824 /nfs/dbraw/zinc/09/08/24/1349090824.db2.gz NZGSRDUBMRXUQC-ZANVPECISA-N 1 2 331.401 2.018 20 10 EECDLO CC[C@@H]([NH2+]CC1(O)CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590466949 1349341610 /nfs/dbraw/zinc/34/16/10/1349341610.db2.gz MTIQVEKDIAPQDF-CQSZACIVSA-N 1 2 331.420 2.308 20 10 EECDLO CC[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466697 1349341677 /nfs/dbraw/zinc/34/16/77/1349341677.db2.gz MABPXDWBVZEMBV-IUODEOHRSA-N 1 2 344.463 2.486 20 10 EECDLO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001603662714 1350736970 /nfs/dbraw/zinc/73/69/70/1350736970.db2.gz NXBJBHLRIYCGIC-STQMWFEESA-N 1 2 330.436 2.097 20 10 EECDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N(C)C)cc3)[nH+]cn2)C1 ZINC000840238979 782449734 /nfs/dbraw/zinc/44/97/34/782449734.db2.gz LEVJNWBUQWHEPL-GOEBONIOSA-N 1 2 341.459 2.362 20 10 EECDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N(C)C)cc3)nc[nH+]2)C1 ZINC000840238979 782449739 /nfs/dbraw/zinc/44/97/39/782449739.db2.gz LEVJNWBUQWHEPL-GOEBONIOSA-N 1 2 341.459 2.362 20 10 EECDLO CO[C@H](C)CC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089817413 776606520 /nfs/dbraw/zinc/60/65/20/776606520.db2.gz MULXIRCKNNAAHN-CYBMUJFWSA-N 1 2 346.475 2.470 20 10 EECDLO C[N@H+](Cc1cc(F)cc(F)c1O)CC(C)(C)CN1CCOCC1 ZINC000894072003 780497885 /nfs/dbraw/zinc/49/78/85/780497885.db2.gz MPSPCFRZMFKYKT-UHFFFAOYSA-N 1 2 328.403 2.461 20 10 EECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)CC(C)(C)CN1CCOCC1 ZINC000894072003 780497888 /nfs/dbraw/zinc/49/78/88/780497888.db2.gz MPSPCFRZMFKYKT-UHFFFAOYSA-N 1 2 328.403 2.461 20 10 EECDLO Cn1cc(N2CC[N@H+](Cc3ccc4ccccc4c3O)CC2=O)cn1 ZINC000816514218 784087989 /nfs/dbraw/zinc/08/79/89/784087989.db2.gz PWIGIYVNHLNBLL-UHFFFAOYSA-N 1 2 336.395 2.128 20 10 EECDLO Cn1cc(N2CC[N@@H+](Cc3ccc4ccccc4c3O)CC2=O)cn1 ZINC000816514218 784087996 /nfs/dbraw/zinc/08/79/96/784087996.db2.gz PWIGIYVNHLNBLL-UHFFFAOYSA-N 1 2 336.395 2.128 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000707144793 786138295 /nfs/dbraw/zinc/13/82/95/786138295.db2.gz UCNKHKGUUIWVOM-LLVKDONJSA-N 1 2 330.222 2.392 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000707144793 786138301 /nfs/dbraw/zinc/13/83/01/786138301.db2.gz UCNKHKGUUIWVOM-LLVKDONJSA-N 1 2 330.222 2.392 20 10 EECDLO Oc1cc(O)c(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c(O)c1 ZINC001144514885 789913285 /nfs/dbraw/zinc/91/32/85/789913285.db2.gz WGQQXSYVYMFFSA-UHFFFAOYSA-N 1 2 326.396 2.121 20 10 EECDLO CC/C=C/NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184359844 801980711 /nfs/dbraw/zinc/98/07/11/801980711.db2.gz MNQCLCMLSHAMKL-AATRIKPKSA-N 1 2 330.384 2.279 20 10 EECDLO CC/C=C/NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184359844 801980719 /nfs/dbraw/zinc/98/07/19/801980719.db2.gz MNQCLCMLSHAMKL-AATRIKPKSA-N 1 2 330.384 2.279 20 10 EECDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(Br)c1O ZINC000787423333 807109877 /nfs/dbraw/zinc/10/98/77/807109877.db2.gz KBTHXNROJJUHIZ-GAFUQQFSSA-N 1 2 339.233 2.241 20 10 EECDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc(Br)c1O ZINC000787423333 807109881 /nfs/dbraw/zinc/10/98/81/807109881.db2.gz KBTHXNROJJUHIZ-GAFUQQFSSA-N 1 2 339.233 2.241 20 10 EECDLO COCc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)no1 ZINC000297978971 465275968 /nfs/dbraw/zinc/27/59/68/465275968.db2.gz XWPSOSIYUVQFJK-UHFFFAOYSA-N 1 2 331.416 2.290 20 10 EECDLO COCc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)no1 ZINC000297978971 465275973 /nfs/dbraw/zinc/27/59/73/465275973.db2.gz XWPSOSIYUVQFJK-UHFFFAOYSA-N 1 2 331.416 2.290 20 10 EECDLO CN(C)c1ccc(CNC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1 ZINC000046884321 462714966 /nfs/dbraw/zinc/71/49/66/462714966.db2.gz ZKNBLVXIPUFCFU-UHFFFAOYSA-N 1 2 327.432 2.213 20 10 EECDLO COc1ccc(N2CCC(NC(=O)[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000069491075 463258796 /nfs/dbraw/zinc/25/87/96/463258796.db2.gz XENDGCBVEILHER-AWEZNQCLSA-N 1 2 328.416 2.238 20 10 EECDLO O=C(c1cccnc1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000123277454 463329136 /nfs/dbraw/zinc/32/91/36/463329136.db2.gz ZLRCJFWSJWFPOJ-UHFFFAOYSA-N 1 2 331.803 2.399 20 10 EECDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000151301701 463509306 /nfs/dbraw/zinc/50/93/06/463509306.db2.gz VXEZULJXXHBZPS-UHFFFAOYSA-N 1 2 341.459 2.497 20 10 EECDLO O=C(c1ccc(O)cc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179940575 464212782 /nfs/dbraw/zinc/21/27/82/464212782.db2.gz RWZPCKFUZQYMKJ-UHFFFAOYSA-N 1 2 330.359 2.195 20 10 EECDLO CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000271848215 464392815 /nfs/dbraw/zinc/39/28/15/464392815.db2.gz XCXHRJDOSWOWTG-UHFFFAOYSA-N 1 2 325.416 2.138 20 10 EECDLO Cn1c[nH+]cc1CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000189333880 464479019 /nfs/dbraw/zinc/47/90/19/464479019.db2.gz FLLDINSLETVUGQ-KRWDZBQOSA-N 1 2 343.427 2.266 20 10 EECDLO Cc1ccc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c(O)c1O ZINC000272704700 464686462 /nfs/dbraw/zinc/68/64/62/464686462.db2.gz BXSPIXQSCBUJQX-UHFFFAOYSA-N 1 2 349.456 2.045 20 10 EECDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000274888937 464758011 /nfs/dbraw/zinc/75/80/11/464758011.db2.gz CWUYDBVZPQWMER-ZDUSSCGKSA-N 1 2 340.395 2.257 20 10 EECDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000274888937 464758015 /nfs/dbraw/zinc/75/80/15/464758015.db2.gz CWUYDBVZPQWMER-ZDUSSCGKSA-N 1 2 340.395 2.257 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccccc1C ZINC000249378611 464868705 /nfs/dbraw/zinc/86/87/05/464868705.db2.gz ZEVNAQCPIYSKEY-DLBZAZTESA-N 1 2 342.439 2.013 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccccc1C ZINC000249378611 464868709 /nfs/dbraw/zinc/86/87/09/464868709.db2.gz ZEVNAQCPIYSKEY-DLBZAZTESA-N 1 2 342.439 2.013 20 10 EECDLO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000184515125 464987379 /nfs/dbraw/zinc/98/73/79/464987379.db2.gz SQQUPLYWGLALHW-KRWDZBQOSA-N 1 2 345.443 2.281 20 10 EECDLO COc1ccc([NH+]2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC000302086508 466096223 /nfs/dbraw/zinc/09/62/23/466096223.db2.gz FDRJKNXBYBVFSD-UHFFFAOYSA-N 1 2 329.360 2.474 20 10 EECDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774823193 577419522 /nfs/dbraw/zinc/41/95/22/577419522.db2.gz QDSIJJDKVXOQRK-ZDUSSCGKSA-N 1 2 338.360 2.227 20 10 EECDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774823193 577419523 /nfs/dbraw/zinc/41/95/23/577419523.db2.gz QDSIJJDKVXOQRK-ZDUSSCGKSA-N 1 2 338.360 2.227 20 10 EECDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000751953839 577763119 /nfs/dbraw/zinc/76/31/19/577763119.db2.gz JVLFXICLHUZOLY-CQSZACIVSA-N 1 2 337.416 2.159 20 10 EECDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000751953839 577763120 /nfs/dbraw/zinc/76/31/20/577763120.db2.gz JVLFXICLHUZOLY-CQSZACIVSA-N 1 2 337.416 2.159 20 10 EECDLO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756399498 577843423 /nfs/dbraw/zinc/84/34/23/577843423.db2.gz QEJNKVIREOSYJR-JTQLQIEISA-N 1 2 348.415 2.135 20 10 EECDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000129098316 1201722228 /nfs/dbraw/zinc/72/22/28/1201722228.db2.gz UIXQCECVCIYPJI-ZDUSSCGKSA-N 1 2 339.867 2.078 20 10 EECDLO CCN1C[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000883158713 1202022938 /nfs/dbraw/zinc/02/29/38/1202022938.db2.gz PIHZDZBSGMEBHC-VIFPVBQESA-N 1 2 345.212 2.252 20 10 EECDLO O=C(c1ccc(O)cc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000778999209 1291746824 /nfs/dbraw/zinc/74/68/24/1291746824.db2.gz AVCBMVQXAKAONX-UHFFFAOYSA-N 1 2 330.359 2.195 20 10 EECDLO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3C[NH2+]CC3(F)F)cccc21 ZINC001218230647 1297607933 /nfs/dbraw/zinc/60/79/33/1297607933.db2.gz CCADGEHSMKPUSS-ZDUSSCGKSA-N 1 2 345.301 2.154 20 10 EECDLO O=C(NC1CCC(F)CC1)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001276914881 1300243394 /nfs/dbraw/zinc/24/33/94/1300243394.db2.gz VQCCSHUYPLHTMR-JXGBTDEFSA-N 1 2 348.418 2.459 20 10 EECDLO O=C(NC1CCC(F)CC1)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001276914881 1300243400 /nfs/dbraw/zinc/24/34/00/1300243400.db2.gz VQCCSHUYPLHTMR-JXGBTDEFSA-N 1 2 348.418 2.459 20 10 EECDLO CC[N@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203728 1304037914 /nfs/dbraw/zinc/03/79/14/1304037914.db2.gz FZGQWIKTBCVOMG-UHFFFAOYSA-N 1 2 326.824 2.172 20 10 EECDLO CC[N@@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203728 1304037918 /nfs/dbraw/zinc/03/79/18/1304037918.db2.gz FZGQWIKTBCVOMG-UHFFFAOYSA-N 1 2 326.824 2.172 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3ncccn3)CC2)cc1Cl ZINC001232263572 1304056806 /nfs/dbraw/zinc/05/68/06/1304056806.db2.gz AWWQIDJZPIDFAJ-UHFFFAOYSA-N 1 2 334.807 2.166 20 10 EECDLO COC(C[N@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1)OC ZINC001233011094 1304326573 /nfs/dbraw/zinc/32/65/73/1304326573.db2.gz YYFCZXOYZRWXSZ-UHFFFAOYSA-N 1 2 333.384 2.425 20 10 EECDLO COC(C[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1)OC ZINC001233011094 1304326579 /nfs/dbraw/zinc/32/65/79/1304326579.db2.gz YYFCZXOYZRWXSZ-UHFFFAOYSA-N 1 2 333.384 2.425 20 10 EECDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233768201 1304585949 /nfs/dbraw/zinc/58/59/49/1304585949.db2.gz MASVWPJAQJYKBI-NSHDSACASA-N 1 2 349.305 2.055 20 10 EECDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233768201 1304585951 /nfs/dbraw/zinc/58/59/51/1304585951.db2.gz MASVWPJAQJYKBI-NSHDSACASA-N 1 2 349.305 2.055 20 10 EECDLO O=C(NCc1ccccc1O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001116021414 1305851026 /nfs/dbraw/zinc/85/10/26/1305851026.db2.gz GXPGTZZPLZJFHX-QGZVFWFLSA-N 1 2 325.412 2.458 20 10 EECDLO O=C(NCc1ccccc1O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001116021414 1305851041 /nfs/dbraw/zinc/85/10/41/1305851041.db2.gz GXPGTZZPLZJFHX-QGZVFWFLSA-N 1 2 325.412 2.458 20 10 EECDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139125490 1314707479 /nfs/dbraw/zinc/70/74/79/1314707479.db2.gz VZNDWSRCTMTOSK-GOSISDBHSA-N 1 2 331.368 2.335 20 10 EECDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139125490 1314707483 /nfs/dbraw/zinc/70/74/83/1314707483.db2.gz VZNDWSRCTMTOSK-GOSISDBHSA-N 1 2 331.368 2.335 20 10 EECDLO CC(C)(C)OC(=O)CN1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142521111 1315648219 /nfs/dbraw/zinc/64/82/19/1315648219.db2.gz XYVAUUMUNDEXBC-UHFFFAOYSA-N 1 2 342.386 2.130 20 10 EECDLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(CC(=O)OC)cc1O ZINC001249208625 1317022375 /nfs/dbraw/zinc/02/23/75/1317022375.db2.gz ZDDBFCKWMINDNG-UHFFFAOYSA-N 1 2 337.416 2.271 20 10 EECDLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(CC(=O)OC)cc1O ZINC001249208625 1317022380 /nfs/dbraw/zinc/02/23/80/1317022380.db2.gz ZDDBFCKWMINDNG-UHFFFAOYSA-N 1 2 337.416 2.271 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cccc(=O)[nH]3)CC2)c(OC)c1 ZINC001207074373 1323831341 /nfs/dbraw/zinc/83/13/41/1323831341.db2.gz ITUYVNNBQYCYBR-UHFFFAOYSA-N 1 2 329.400 2.127 20 10 EECDLO CC[C@@H]([NH2+]CC1(COC)CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463169 1349339209 /nfs/dbraw/zinc/33/92/09/1349339209.db2.gz HUXJCABRYWURHI-CQSZACIVSA-N 1 2 331.420 2.430 20 10 EECDLO CC[C@H]([NH2+]CCOc1cccnc1)c1cccc(-c2nn[nH]n2)c1O ZINC001590471191 1349346685 /nfs/dbraw/zinc/34/66/85/1349346685.db2.gz YQMDQRAEUSYDPU-HNNXBMFYSA-N 1 2 340.387 2.087 20 10 EECDLO COC(=O)c1c(C[NH2+]Cc2ccn(C)n2)c2cc(F)ccc2n1C ZINC000894370067 1367138600 /nfs/dbraw/zinc/13/86/00/1367138600.db2.gz ZRFPQDWTKVBSPZ-UHFFFAOYSA-N 1 2 330.363 2.127 20 10 EECDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829152807 1372271055 /nfs/dbraw/zinc/27/10/55/1372271055.db2.gz WNPDPMPOVOOOKU-WMZOPIPTSA-N 1 2 332.444 2.094 20 10 EECDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829152807 1372271059 /nfs/dbraw/zinc/27/10/59/1372271059.db2.gz WNPDPMPOVOOOKU-WMZOPIPTSA-N 1 2 332.444 2.094 20 10 EECDLO Cc1ncsc1CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001592425135 1404031333 /nfs/dbraw/zinc/03/13/33/1404031333.db2.gz VKODEUWVUDROPN-SECBINFHSA-N 1 2 330.417 2.231 20 10 EECDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2F)C[C@H](C)O1 ZINC000816891149 784321640 /nfs/dbraw/zinc/32/16/40/784321640.db2.gz JZXROQVGEUVWQD-STQMWFEESA-N 1 2 346.406 2.021 20 10 EECDLO Oc1c(Br)cc(Cl)cc1C[NH2+]CCn1cncn1 ZINC000708140615 786753000 /nfs/dbraw/zinc/75/30/00/786753000.db2.gz YFJLIBZQGTVDCW-UHFFFAOYSA-N 1 2 331.601 2.189 20 10 EECDLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184362899 801981572 /nfs/dbraw/zinc/98/15/72/801981572.db2.gz WFZKKLGDOTVIBY-LBPRGKRZSA-N 1 2 332.400 2.154 20 10 EECDLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184362899 801981577 /nfs/dbraw/zinc/98/15/77/801981577.db2.gz WFZKKLGDOTVIBY-LBPRGKRZSA-N 1 2 332.400 2.154 20 10 EECDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808213579 812519176 /nfs/dbraw/zinc/51/91/76/812519176.db2.gz RVORTCIVBSPEBZ-CQSZACIVSA-N 1 2 337.416 2.159 20 10 EECDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808213579 812519180 /nfs/dbraw/zinc/51/91/80/812519180.db2.gz RVORTCIVBSPEBZ-CQSZACIVSA-N 1 2 337.416 2.159 20 10 EECDLO O=S1(=O)CCC[C@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000808426388 812620909 /nfs/dbraw/zinc/62/09/09/812620909.db2.gz CKOBSGBNUUJAPC-SNVBAGLBSA-N 1 2 348.262 2.069 20 10 EECDLO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000191197726 286661940 /nfs/dbraw/zinc/66/19/40/286661940.db2.gz UYAZBYCQJXKUAX-SNVBAGLBSA-N 1 2 348.415 2.135 20 10 EECDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000129112443 462690245 /nfs/dbraw/zinc/69/02/45/462690245.db2.gz SQCICGCHZJNIPI-ZDUSSCGKSA-N 1 2 339.867 2.078 20 10 EECDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1F ZINC000158467304 463235226 /nfs/dbraw/zinc/23/52/26/463235226.db2.gz OVRKZIBYTGWWCA-UHFFFAOYSA-N 1 2 331.391 2.443 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000058160691 463545385 /nfs/dbraw/zinc/54/53/85/463545385.db2.gz ZVGOQFWTSMSXFZ-OAHLLOKOSA-N 1 2 331.460 2.265 20 10 EECDLO CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cccc(Cl)c1O ZINC000287551082 463923993 /nfs/dbraw/zinc/92/39/93/463923993.db2.gz FQEWXAGPWWBLLK-OAHLLOKOSA-N 1 2 339.867 2.297 20 10 EECDLO COc1c(O)c(C[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000278522392 463970007 /nfs/dbraw/zinc/97/00/07/463970007.db2.gz SGRJFQXJTSUBEY-SECBINFHSA-N 1 2 335.364 2.401 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000186538398 464019791 /nfs/dbraw/zinc/01/97/91/464019791.db2.gz DQFFJHXMBJYUJW-ROUUACIJSA-N 1 2 342.439 2.013 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000186538398 464019795 /nfs/dbraw/zinc/01/97/95/464019795.db2.gz DQFFJHXMBJYUJW-ROUUACIJSA-N 1 2 342.439 2.013 20 10 EECDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188788195 464369415 /nfs/dbraw/zinc/36/94/15/464369415.db2.gz AYKBPUCGLHSVKT-MSOLQXFVSA-N 1 2 332.444 2.175 20 10 EECDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188788195 464369418 /nfs/dbraw/zinc/36/94/18/464369418.db2.gz AYKBPUCGLHSVKT-MSOLQXFVSA-N 1 2 332.444 2.175 20 10 EECDLO Oc1ccccc1C[N@@H+](Cc1ncnn1CCF)C[C@@H]1CCCO1 ZINC000281763514 464576886 /nfs/dbraw/zinc/57/68/86/464576886.db2.gz YZGOUQPSUZVBPT-HNNXBMFYSA-N 1 2 334.395 2.134 20 10 EECDLO CCC[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000131750526 527782819 /nfs/dbraw/zinc/78/28/19/527782819.db2.gz YSCYXHVNQPHJFM-GOSISDBHSA-N 1 2 333.476 2.212 20 10 EECDLO CCC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000131750526 527782827 /nfs/dbraw/zinc/78/28/27/527782827.db2.gz YSCYXHVNQPHJFM-GOSISDBHSA-N 1 2 333.476 2.212 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000731282632 577092930 /nfs/dbraw/zinc/09/29/30/577092930.db2.gz SMBCTALAXINHRW-HNNXBMFYSA-N 1 2 335.448 2.035 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000731282632 577092933 /nfs/dbraw/zinc/09/29/33/577092933.db2.gz SMBCTALAXINHRW-HNNXBMFYSA-N 1 2 335.448 2.035 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1O ZINC000775740554 577444473 /nfs/dbraw/zinc/44/44/73/577444473.db2.gz KUIPFFRGLBRVCM-ZWNOBZJWSA-N 1 2 330.222 2.045 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c1O ZINC000775740554 577444474 /nfs/dbraw/zinc/44/44/74/577444474.db2.gz KUIPFFRGLBRVCM-ZWNOBZJWSA-N 1 2 330.222 2.045 20 10 EECDLO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776520212 577461389 /nfs/dbraw/zinc/46/13/89/577461389.db2.gz KBZSJZHNTPHDOD-HNNXBMFYSA-N 1 2 333.787 2.367 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000768451050 577555976 /nfs/dbraw/zinc/55/59/76/577555976.db2.gz LONULKNJCFMCGF-QGZVFWFLSA-N 1 2 341.363 2.120 20 10 EECDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000768451050 577555977 /nfs/dbraw/zinc/55/59/77/577555977.db2.gz LONULKNJCFMCGF-QGZVFWFLSA-N 1 2 341.363 2.120 20 10 EECDLO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c(O)c1 ZINC000769191727 577572068 /nfs/dbraw/zinc/57/20/68/577572068.db2.gz BTCDSJXVXHWXGD-SFHVURJKSA-N 1 2 326.396 2.464 20 10 EECDLO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c(O)c1 ZINC000769191727 577572069 /nfs/dbraw/zinc/57/20/69/577572069.db2.gz BTCDSJXVXHWXGD-SFHVURJKSA-N 1 2 326.396 2.464 20 10 EECDLO C[C@@H]1[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000763415795 577720911 /nfs/dbraw/zinc/72/09/11/577720911.db2.gz NOVOEFJEPBAICH-HNNXBMFYSA-N 1 2 333.476 2.210 20 10 EECDLO C[C@@H]1[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000763415795 577720912 /nfs/dbraw/zinc/72/09/12/577720912.db2.gz NOVOEFJEPBAICH-HNNXBMFYSA-N 1 2 333.476 2.210 20 10 EECDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cc(Br)c(F)cc1O ZINC000756779883 577850157 /nfs/dbraw/zinc/85/01/57/577850157.db2.gz NLJBDSLCOBCEEG-SSDOTTSWSA-N 1 2 329.173 2.273 20 10 EECDLO O=C(c1cccnc1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000156883779 676462050 /nfs/dbraw/zinc/46/20/50/676462050.db2.gz NWDGAPUTHAQRSJ-UHFFFAOYSA-N 1 2 331.803 2.399 20 10 EECDLO O=C(C1CCCCC1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000066371482 681564893 /nfs/dbraw/zinc/56/48/93/681564893.db2.gz XXEMAQFVIWDDEU-UHFFFAOYSA-N 1 2 346.427 2.345 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897562440 691618313 /nfs/dbraw/zinc/61/83/13/691618313.db2.gz GEDZALOZBHQYEP-OAHLLOKOSA-N 1 2 337.807 2.361 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897562440 691618316 /nfs/dbraw/zinc/61/83/16/691618316.db2.gz GEDZALOZBHQYEP-OAHLLOKOSA-N 1 2 337.807 2.361 20 10 EECDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810230843 1199366636 /nfs/dbraw/zinc/36/66/36/1199366636.db2.gz LQVFRCWOAABSLB-NSHDSACASA-N 1 2 326.356 2.498 20 10 EECDLO COc1ccc(N2CCN(Cc3[nH]c(C)c(C)[nH+]3)CC2)c(OC)c1 ZINC000877708409 1200046639 /nfs/dbraw/zinc/04/66/39/1200046639.db2.gz LDXDFVALVBSRBA-UHFFFAOYSA-N 1 2 330.432 2.366 20 10 EECDLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924760623 1206028015 /nfs/dbraw/zinc/02/80/15/1206028015.db2.gz QKIKAAWZKVNUTE-NSHDSACASA-N 1 2 334.395 2.329 20 10 EECDLO COCCN1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000779603752 1210585333 /nfs/dbraw/zinc/58/53/33/1210585333.db2.gz APWZYYAOGWUWBR-UHFFFAOYSA-N 1 2 340.423 2.350 20 10 EECDLO COCCN1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000779603752 1210585335 /nfs/dbraw/zinc/58/53/35/1210585335.db2.gz APWZYYAOGWUWBR-UHFFFAOYSA-N 1 2 340.423 2.350 20 10 EECDLO CCOCc1cc(C[NH2+]Cc2nc(C(N)=O)cs2)ccc1OC ZINC000850383208 1277206851 /nfs/dbraw/zinc/20/68/51/1277206851.db2.gz BAOMQNNLKDZKNZ-UHFFFAOYSA-N 1 2 335.429 2.077 20 10 EECDLO Oc1c(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)cccc1C(F)(F)F ZINC001222684771 1299788637 /nfs/dbraw/zinc/78/86/37/1299788637.db2.gz KRTGOYZDXZQJJS-INIZCTEOSA-N 1 2 343.393 2.329 20 10 EECDLO COC(=O)[C@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231843227 1303929117 /nfs/dbraw/zinc/92/91/17/1303929117.db2.gz SXWYERCMGQFQHW-DOMZBBRYSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)[C@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231843227 1303929120 /nfs/dbraw/zinc/92/91/20/1303929120.db2.gz SXWYERCMGQFQHW-DOMZBBRYSA-N 1 2 347.333 2.050 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC001231866549 1303933784 /nfs/dbraw/zinc/93/37/84/1303933784.db2.gz AINPZJKKCMRMGS-CYBMUJFWSA-N 1 2 339.741 2.480 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC001231866549 1303933788 /nfs/dbraw/zinc/93/37/88/1303933788.db2.gz AINPZJKKCMRMGS-CYBMUJFWSA-N 1 2 339.741 2.480 20 10 EECDLO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2cccc(Cl)c2O)cn1 ZINC001231909543 1303944278 /nfs/dbraw/zinc/94/42/78/1303944278.db2.gz CJNIXAROXNMTQJ-HUUCEWRRSA-N 1 2 346.818 2.159 20 10 EECDLO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@H+]3Cc2cccc(Cl)c2O)cn1 ZINC001231909543 1303944279 /nfs/dbraw/zinc/94/42/79/1303944279.db2.gz CJNIXAROXNMTQJ-HUUCEWRRSA-N 1 2 346.818 2.159 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1Cl ZINC001232266696 1304058738 /nfs/dbraw/zinc/05/87/38/1304058738.db2.gz RHUGLEWJVNUSAG-AKWBHNSASA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1Cl ZINC001232266696 1304058741 /nfs/dbraw/zinc/05/87/41/1304058741.db2.gz RHUGLEWJVNUSAG-AKWBHNSASA-N 1 2 327.808 2.026 20 10 EECDLO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010862 1304326362 /nfs/dbraw/zinc/32/63/62/1304326362.db2.gz VXVCLUCNMIGNHA-NSHDSACASA-N 1 2 325.361 2.329 20 10 EECDLO CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010862 1304326365 /nfs/dbraw/zinc/32/63/65/1304326365.db2.gz VXVCLUCNMIGNHA-NSHDSACASA-N 1 2 325.361 2.329 20 10 EECDLO Oc1c(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)ccc(F)c1F ZINC001233077216 1304352485 /nfs/dbraw/zinc/35/24/85/1304352485.db2.gz MRTSDHGYXGJZHV-NWANDNLSSA-N 1 2 325.355 2.296 20 10 EECDLO Oc1c(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)ccc(F)c1F ZINC001233077216 1304352491 /nfs/dbraw/zinc/35/24/91/1304352491.db2.gz MRTSDHGYXGJZHV-NWANDNLSSA-N 1 2 325.355 2.296 20 10 EECDLO COC(=O)CC1C[NH+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233140688 1304373971 /nfs/dbraw/zinc/37/39/71/1304373971.db2.gz RBDOMZROAUVDQH-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000784063122 1304410501 /nfs/dbraw/zinc/41/05/01/1304410501.db2.gz BSBBHWOPBUATAW-KBPBESRZSA-N 1 2 346.431 2.464 20 10 EECDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304910 1305185411 /nfs/dbraw/zinc/18/54/11/1305185411.db2.gz FOOGIMUVROLCOL-LBPRGKRZSA-N 1 2 345.212 2.346 20 10 EECDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304910 1305185414 /nfs/dbraw/zinc/18/54/14/1305185414.db2.gz FOOGIMUVROLCOL-LBPRGKRZSA-N 1 2 345.212 2.346 20 10 EECDLO COc1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c(O)c1Cl ZINC001236809737 1305686092 /nfs/dbraw/zinc/68/60/92/1305686092.db2.gz NZIQDHRXGQRPDR-UHFFFAOYSA-N 1 2 341.839 2.290 20 10 EECDLO Oc1c(I)cccc1C[N@@H+]1CCCOCC1 ZINC001237781965 1306088936 /nfs/dbraw/zinc/08/89/36/1306088936.db2.gz CWYSIHXFVHVOET-UHFFFAOYSA-N 1 2 333.169 2.219 20 10 EECDLO Oc1c(I)cccc1C[N@H+]1CCCOCC1 ZINC001237781965 1306088943 /nfs/dbraw/zinc/08/89/43/1306088943.db2.gz CWYSIHXFVHVOET-UHFFFAOYSA-N 1 2 333.169 2.219 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)c(C)c1 ZINC001138353381 1314605325 /nfs/dbraw/zinc/60/53/25/1314605325.db2.gz XLJKRYWUCSAYSS-UHFFFAOYSA-N 1 2 341.459 2.182 20 10 EECDLO O=C(C[N@@H+]1CCc2sccc2C1)N1CCc2cccc(O)c2C1 ZINC001142219292 1315526065 /nfs/dbraw/zinc/52/60/65/1315526065.db2.gz JLNHLARSDZRUHH-UHFFFAOYSA-N 1 2 328.437 2.397 20 10 EECDLO O=C(C[N@H+]1CCc2sccc2C1)N1CCc2cccc(O)c2C1 ZINC001142219292 1315526070 /nfs/dbraw/zinc/52/60/70/1315526070.db2.gz JLNHLARSDZRUHH-UHFFFAOYSA-N 1 2 328.437 2.397 20 10 EECDLO Cc1cccn2cc(CCNC(=O)NCCc3ccc(N)cc3)[nH+]c12 ZINC000841848889 1315622852 /nfs/dbraw/zinc/62/28/52/1315622852.db2.gz IUBYALSBOCGORX-UHFFFAOYSA-N 1 2 337.427 2.309 20 10 EECDLO [NH3+][C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001206682745 1321429646 /nfs/dbraw/zinc/42/96/46/1321429646.db2.gz DVFFYLCOQMGXTN-SNVBAGLBSA-N 1 2 326.265 2.459 20 10 EECDLO COc1ccc(C[N@@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203621701 1321924494 /nfs/dbraw/zinc/92/44/94/1321924494.db2.gz ZIFMYWZIURXLLG-KBPBESRZSA-N 1 2 340.395 2.448 20 10 EECDLO COc1ccc(C[N@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203621701 1321924497 /nfs/dbraw/zinc/92/44/97/1321924497.db2.gz ZIFMYWZIURXLLG-KBPBESRZSA-N 1 2 340.395 2.448 20 10 EECDLO COc1cc(C[NH+]2CCN(c3cccc(C)n3)CC2)cc(O)c1O ZINC001204341505 1322117818 /nfs/dbraw/zinc/11/78/18/1322117818.db2.gz FEVVHTHKWNTMHR-UHFFFAOYSA-N 1 2 329.400 2.132 20 10 EECDLO COc1ccc(C(=O)NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC001308010496 1331558237 /nfs/dbraw/zinc/55/82/37/1331558237.db2.gz QAOWKFFKUCAKHF-GFCCVEGCSA-N 1 2 328.368 2.008 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nnnn1C ZINC001308968588 1331610643 /nfs/dbraw/zinc/61/06/43/1331610643.db2.gz PLBXKNIQXFTYKH-SECBINFHSA-N 1 2 328.342 2.146 20 10 EECDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000847393478 1338024367 /nfs/dbraw/zinc/02/43/67/1338024367.db2.gz MCCBLBTUKIGQJU-HUUCEWRRSA-N 1 2 342.443 2.302 20 10 EECDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000847393478 1338024370 /nfs/dbraw/zinc/02/43/70/1338024370.db2.gz MCCBLBTUKIGQJU-HUUCEWRRSA-N 1 2 342.443 2.302 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603665066 1350737326 /nfs/dbraw/zinc/73/73/26/1350737326.db2.gz XZEJUUQVJPOAOO-RBOXIYTFSA-N 1 2 343.431 2.286 20 10 EECDLO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001603679847 1350740752 /nfs/dbraw/zinc/74/07/52/1350740752.db2.gz XJBQHDYZUPCEPZ-MLGOLLRUSA-N 1 2 339.399 2.347 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001604055565 1350841676 /nfs/dbraw/zinc/84/16/76/1350841676.db2.gz NOSGMVMUVDZEEQ-XUJVJEKNSA-N 1 2 331.420 2.286 20 10 EECDLO COCCC1(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)CCC1 ZINC001605079546 1351073683 /nfs/dbraw/zinc/07/36/83/1351073683.db2.gz GFWFQVIBHGDRIS-GFCCVEGCSA-N 1 2 331.420 2.430 20 10 EECDLO COc1ccc(C(=O)N2CC[NH+](Cc3c(O)cccc3F)CC2)cc1 ZINC001137841897 1372283213 /nfs/dbraw/zinc/28/32/13/1372283213.db2.gz ZCKKDQUYQWGIMQ-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO COc1ccc(N2CCC[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000183297838 780710330 /nfs/dbraw/zinc/71/03/30/780710330.db2.gz OZVIWRVGEHPUNV-UHFFFAOYSA-N 1 2 345.403 2.278 20 10 EECDLO COc1ccc(N2CCC[N@@H+](Cn3cc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000183297838 780710333 /nfs/dbraw/zinc/71/03/33/780710333.db2.gz OZVIWRVGEHPUNV-UHFFFAOYSA-N 1 2 345.403 2.278 20 10 EECDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809765702 783369462 /nfs/dbraw/zinc/36/94/62/783369462.db2.gz QZQKVFUFFCBYJZ-AWEZNQCLSA-N 1 2 346.431 2.296 20 10 EECDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809765702 783369468 /nfs/dbraw/zinc/36/94/68/783369468.db2.gz QZQKVFUFFCBYJZ-AWEZNQCLSA-N 1 2 346.431 2.296 20 10 EECDLO CC[C@@]1(C(C)C)NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000151370262 788898520 /nfs/dbraw/zinc/89/85/20/788898520.db2.gz LZXBDXAFNHELBX-IBGZPJMESA-N 1 2 346.475 2.499 20 10 EECDLO CC[C@@]1(C(C)C)NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000151370262 788898531 /nfs/dbraw/zinc/89/85/31/788898531.db2.gz LZXBDXAFNHELBX-IBGZPJMESA-N 1 2 346.475 2.499 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(OCC)cc1O)[C@H]1CCCOC1 ZINC000789578138 808069959 /nfs/dbraw/zinc/06/99/59/808069959.db2.gz AXSNMEZRNBJUBI-YOEHRIQHSA-N 1 2 337.416 2.239 20 10 EECDLO COc1ccc(N2CCCN(C(=O)CCc3[nH+]ccn3C)CC2)cc1 ZINC001520812362 1119195548 /nfs/dbraw/zinc/19/55/48/1119195548.db2.gz BQIFUQZQXDPWSY-UHFFFAOYSA-N 1 2 342.443 2.100 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1OC ZINC000160060387 237231960 /nfs/dbraw/zinc/23/19/60/237231960.db2.gz FSBHGFRSBKSMKO-GOSISDBHSA-N 1 2 342.395 2.083 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1OC ZINC000160060387 237231982 /nfs/dbraw/zinc/23/19/82/237231982.db2.gz FSBHGFRSBKSMKO-GOSISDBHSA-N 1 2 342.395 2.083 20 10 EECDLO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000157588717 463146997 /nfs/dbraw/zinc/14/69/97/463146997.db2.gz QFZKYKVIJVZOEF-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000157588717 463147000 /nfs/dbraw/zinc/14/70/00/463147000.db2.gz QFZKYKVIJVZOEF-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO CCC[N@@H+](Cc1nnnn1CC1CCOCC1)Cc1ccccc1O ZINC000277720921 463929603 /nfs/dbraw/zinc/92/96/03/463929603.db2.gz NJCPCMMTILWGSS-UHFFFAOYSA-N 1 2 345.447 2.218 20 10 EECDLO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC[S@]1=O ZINC000277727791 463930069 /nfs/dbraw/zinc/93/00/69/463930069.db2.gz SUGXKPIVUZGAIS-XTZNXHDOSA-N 1 2 332.263 2.498 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[S@]1=O ZINC000277727791 463930075 /nfs/dbraw/zinc/93/00/75/463930075.db2.gz SUGXKPIVUZGAIS-XTZNXHDOSA-N 1 2 332.263 2.498 20 10 EECDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000293835607 464422384 /nfs/dbraw/zinc/42/23/84/464422384.db2.gz GUQPOOJTWQEGJG-ZDUSSCGKSA-N 1 2 331.771 2.387 20 10 EECDLO CCn1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000294496422 464516642 /nfs/dbraw/zinc/51/66/42/464516642.db2.gz AQSCTUHBWFBSSP-MRXNPFEDSA-N 1 2 330.432 2.493 20 10 EECDLO CCn1nc(C)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000294496422 464516644 /nfs/dbraw/zinc/51/66/44/464516644.db2.gz AQSCTUHBWFBSSP-MRXNPFEDSA-N 1 2 330.432 2.493 20 10 EECDLO CNC(=O)CC[N@H+](C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000728927488 576561424 /nfs/dbraw/zinc/56/14/24/576561424.db2.gz CNWINYVMEHVWBX-UHFFFAOYSA-N 1 2 327.428 2.345 20 10 EECDLO CNC(=O)CC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000728927488 576561427 /nfs/dbraw/zinc/56/14/27/576561427.db2.gz CNWINYVMEHVWBX-UHFFFAOYSA-N 1 2 327.428 2.345 20 10 EECDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1c1ccccc1)[C@H](O)CO2 ZINC000768466735 577556531 /nfs/dbraw/zinc/55/65/31/577556531.db2.gz VRVGRRFTSOPMHQ-SJLPKXTDSA-N 1 2 327.380 2.392 20 10 EECDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1c1ccccc1)[C@H](O)CO2 ZINC000768466735 577556532 /nfs/dbraw/zinc/55/65/32/577556532.db2.gz VRVGRRFTSOPMHQ-SJLPKXTDSA-N 1 2 327.380 2.392 20 10 EECDLO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc([N+](=O)[O-])ccc1O ZINC000756457795 577844514 /nfs/dbraw/zinc/84/45/14/577844514.db2.gz LMDYLHGJGKTTJU-NHYWBVRUSA-N 1 2 346.387 2.217 20 10 EECDLO OC[C@@H]1CN(Cc2cc(F)c(F)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001142508765 1188207195 /nfs/dbraw/zinc/20/71/95/1188207195.db2.gz KQNIOJNNBCABNB-INIZCTEOSA-N 1 2 348.393 2.349 20 10 EECDLO OC[C@@H]1CN(Cc2cc(F)c(F)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001142508765 1188207203 /nfs/dbraw/zinc/20/72/03/1188207203.db2.gz KQNIOJNNBCABNB-INIZCTEOSA-N 1 2 348.393 2.349 20 10 EECDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903278 1193597942 /nfs/dbraw/zinc/59/79/42/1193597942.db2.gz PPHNSVMDQPXFBE-ORAYPTAESA-N 1 2 346.427 2.032 20 10 EECDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272903278 1193597944 /nfs/dbraw/zinc/59/79/44/1193597944.db2.gz PPHNSVMDQPXFBE-ORAYPTAESA-N 1 2 346.427 2.032 20 10 EECDLO O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001272617430 1190932522 /nfs/dbraw/zinc/93/25/22/1190932522.db2.gz XICAIKNOYHJBSQ-MRXNPFEDSA-N 1 2 346.324 2.360 20 10 EECDLO O=C1N(CC(F)F)CC[C@@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001272617430 1190932523 /nfs/dbraw/zinc/93/25/23/1190932523.db2.gz XICAIKNOYHJBSQ-MRXNPFEDSA-N 1 2 346.324 2.360 20 10 EECDLO CC[NH+]1CCN(c2ccc(CNCc3snnc3C)cc2F)CC1 ZINC000877012494 1199844196 /nfs/dbraw/zinc/84/41/96/1199844196.db2.gz VAGFRPCXVKITDF-UHFFFAOYSA-N 1 2 349.479 2.417 20 10 EECDLO COc1ccc(C[NH2+][C@H](C)c2nc(C)no2)cc1Cn1cccn1 ZINC000877471370 1199939644 /nfs/dbraw/zinc/93/96/44/1199939644.db2.gz VTQFFWQVBRRGDW-GFCCVEGCSA-N 1 2 327.388 2.482 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccc(CO)o3)CC2)c(OC)c1 ZINC000877708694 1200046133 /nfs/dbraw/zinc/04/61/33/1200046133.db2.gz TWBYCAJXWVCPDK-UHFFFAOYSA-N 1 2 332.400 2.111 20 10 EECDLO O=C(C[NH2+]Cc1cc(Br)cc(F)c1O)NC1CCCC1 ZINC000882992903 1201992825 /nfs/dbraw/zinc/99/28/25/1201992825.db2.gz XNKXLKDZYLBQMY-UHFFFAOYSA-N 1 2 345.212 2.442 20 10 EECDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(F)c(F)cc2O)n(C)n1 ZINC001275774215 1205521002 /nfs/dbraw/zinc/52/10/02/1205521002.db2.gz PFPAIMBOGJKDQT-GASCZTMLSA-N 1 2 348.397 2.171 20 10 EECDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(F)c(F)cc2O)n(C)n1 ZINC001275774215 1205521003 /nfs/dbraw/zinc/52/10/03/1205521003.db2.gz PFPAIMBOGJKDQT-GASCZTMLSA-N 1 2 348.397 2.171 20 10 EECDLO Cc1cc(CN2CC3(C2)C[NH+](Cc2cccc(Cl)c2O)C3)n(C)n1 ZINC001276379985 1249624466 /nfs/dbraw/zinc/62/44/66/1249624466.db2.gz DRAWTXDTLHINSE-UHFFFAOYSA-N 1 2 346.862 2.405 20 10 EECDLO COCCOCN1C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC001276380081 1249640489 /nfs/dbraw/zinc/64/04/89/1249640489.db2.gz GRKYZALGZFDUOP-XJKSGUPXSA-N 1 2 340.851 2.172 20 10 EECDLO COCCOCN1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC001276380081 1249640505 /nfs/dbraw/zinc/64/05/05/1249640505.db2.gz GRKYZALGZFDUOP-XJKSGUPXSA-N 1 2 340.851 2.172 20 10 EECDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000854003745 1292579534 /nfs/dbraw/zinc/57/95/34/1292579534.db2.gz KZFUJCSZTDGBFV-BZUAXINKSA-N 1 2 348.491 2.222 20 10 EECDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000854003745 1292579547 /nfs/dbraw/zinc/57/95/47/1292579547.db2.gz KZFUJCSZTDGBFV-BZUAXINKSA-N 1 2 348.491 2.222 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000862336673 1295798675 /nfs/dbraw/zinc/79/86/75/1295798675.db2.gz IWRIRFMDLBGETA-MNOVXSKESA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000862336673 1295798687 /nfs/dbraw/zinc/79/86/87/1295798687.db2.gz IWRIRFMDLBGETA-MNOVXSKESA-N 1 2 330.222 2.390 20 10 EECDLO COc1ccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c(O)c1Cl ZINC001276806884 1298099746 /nfs/dbraw/zinc/09/97/46/1298099746.db2.gz UPMVTKGTHLLZRE-KRWDZBQOSA-N 1 2 340.851 2.351 20 10 EECDLO COc1ccc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c(O)c1Cl ZINC001276806884 1298099760 /nfs/dbraw/zinc/09/97/60/1298099760.db2.gz UPMVTKGTHLLZRE-KRWDZBQOSA-N 1 2 340.851 2.351 20 10 EECDLO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)CC[C@H]21 ZINC001231909512 1303944137 /nfs/dbraw/zinc/94/41/37/1303944137.db2.gz BJROZNKKHLRUDN-CVEARBPZSA-N 1 2 338.835 2.257 20 10 EECDLO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)CC[C@H]21 ZINC001231909512 1303944138 /nfs/dbraw/zinc/94/41/38/1303944138.db2.gz BJROZNKKHLRUDN-CVEARBPZSA-N 1 2 338.835 2.257 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454364 1304469710 /nfs/dbraw/zinc/46/97/10/1304469710.db2.gz RVTVEWSQIYMARW-ZDUSSCGKSA-N 1 2 333.306 2.175 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454364 1304469714 /nfs/dbraw/zinc/46/97/14/1304469714.db2.gz RVTVEWSQIYMARW-ZDUSSCGKSA-N 1 2 333.306 2.175 20 10 EECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236753523 1305659498 /nfs/dbraw/zinc/65/94/98/1305659498.db2.gz PDAVZDZLSRORAE-MRVPVSSYSA-N 1 2 332.194 2.157 20 10 EECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236753523 1305659500 /nfs/dbraw/zinc/65/95/00/1305659500.db2.gz PDAVZDZLSRORAE-MRVPVSSYSA-N 1 2 332.194 2.157 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)CCO1 ZINC001137854154 1314501543 /nfs/dbraw/zinc/50/15/43/1314501543.db2.gz KKJOWTOTQDXCBT-GOSISDBHSA-N 1 2 328.412 2.468 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)CCO1 ZINC001137854154 1314501547 /nfs/dbraw/zinc/50/15/47/1314501547.db2.gz KKJOWTOTQDXCBT-GOSISDBHSA-N 1 2 328.412 2.468 20 10 EECDLO Cc1c(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c2ccccc2n1C ZINC001138257846 1314583158 /nfs/dbraw/zinc/58/31/58/1314583158.db2.gz AAVVEUBJZZZEAR-UHFFFAOYSA-N 1 2 341.455 2.310 20 10 EECDLO Cc1c(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c2ccccc2n1C ZINC001138257846 1314583161 /nfs/dbraw/zinc/58/31/61/1314583161.db2.gz AAVVEUBJZZZEAR-UHFFFAOYSA-N 1 2 341.455 2.310 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140465518 1314892975 /nfs/dbraw/zinc/89/29/75/1314892975.db2.gz OYXHFTDUDZDVLA-ZDUSSCGKSA-N 1 2 325.792 2.390 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140465518 1314892984 /nfs/dbraw/zinc/89/29/84/1314892984.db2.gz OYXHFTDUDZDVLA-ZDUSSCGKSA-N 1 2 325.792 2.390 20 10 EECDLO Oc1cc(F)cc(F)c1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001140580432 1314909350 /nfs/dbraw/zinc/90/93/50/1314909350.db2.gz BZELYCPXLPUBPW-CHWSQXEVSA-N 1 2 346.381 2.419 20 10 EECDLO Oc1cc(F)cc(F)c1C[N@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001140580432 1314909353 /nfs/dbraw/zinc/90/93/53/1314909353.db2.gz BZELYCPXLPUBPW-CHWSQXEVSA-N 1 2 346.381 2.419 20 10 EECDLO COc1cc(-c2[nH]c3ccc(N4CCOCC4)cc3[nH+]2)cc(O)c1O ZINC001250487984 1317263057 /nfs/dbraw/zinc/26/30/57/1317263057.db2.gz AEHZSGKVTKJHOS-UHFFFAOYSA-N 1 2 341.367 2.486 20 10 EECDLO COc1ccncc1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261232490 1322048685 /nfs/dbraw/zinc/04/86/85/1322048685.db2.gz IMRKMCQLGHTGDC-UHFFFAOYSA-N 1 2 344.434 2.271 20 10 EECDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc(F)c1F ZINC001276471368 1322168438 /nfs/dbraw/zinc/16/84/38/1322168438.db2.gz CTSMHRPPWVOGMS-TXEJJXNPSA-N 1 2 339.386 2.437 20 10 EECDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001276471368 1322168443 /nfs/dbraw/zinc/16/84/43/1322168443.db2.gz CTSMHRPPWVOGMS-TXEJJXNPSA-N 1 2 339.386 2.437 20 10 EECDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001308570645 1331600072 /nfs/dbraw/zinc/60/00/72/1331600072.db2.gz RALZEQBXUJQHSA-OAHLLOKOSA-N 1 2 325.405 2.108 20 10 EECDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001308570645 1331600078 /nfs/dbraw/zinc/60/00/78/1331600078.db2.gz RALZEQBXUJQHSA-OAHLLOKOSA-N 1 2 325.405 2.108 20 10 EECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)C1CC1 ZINC000822747425 787365556 /nfs/dbraw/zinc/36/55/56/787365556.db2.gz YDQBNJMMHSMXFW-OAHLLOKOSA-N 1 2 327.808 2.446 20 10 EECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)C1CC1 ZINC000822747425 787365564 /nfs/dbraw/zinc/36/55/64/787365564.db2.gz YDQBNJMMHSMXFW-OAHLLOKOSA-N 1 2 327.808 2.446 20 10 EECDLO CCOC(=O)C[N@H+](CCO[C@H]1CCCCO1)Cc1ccccc1O ZINC000823576473 787802487 /nfs/dbraw/zinc/80/24/87/787802487.db2.gz PEGPXFZLHFPSPD-SFHVURJKSA-N 1 2 337.416 2.301 20 10 EECDLO CCOC(=O)C[N@@H+](CCO[C@H]1CCCCO1)Cc1ccccc1O ZINC000823576473 787802501 /nfs/dbraw/zinc/80/25/01/787802501.db2.gz PEGPXFZLHFPSPD-SFHVURJKSA-N 1 2 337.416 2.301 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)Cc2nnc3n2CCCC3)cc1 ZINC000844402032 789068782 /nfs/dbraw/zinc/06/87/82/789068782.db2.gz SHECCMZFQCRFKJ-UHFFFAOYSA-N 1 2 329.448 2.191 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nnc3n2CCCC3)cc1 ZINC000844402032 789068792 /nfs/dbraw/zinc/06/87/92/789068792.db2.gz SHECCMZFQCRFKJ-UHFFFAOYSA-N 1 2 329.448 2.191 20 10 EECDLO CC(C)C(=O)NCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715805879 795536761 /nfs/dbraw/zinc/53/67/61/795536761.db2.gz ZGVDTCACMXJRFQ-UHFFFAOYSA-N 1 2 333.201 2.156 20 10 EECDLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001172312306 796952665 /nfs/dbraw/zinc/95/26/65/796952665.db2.gz AKWOIZKEBYGVHS-IPYPFGDCSA-N 1 2 339.432 2.365 20 10 EECDLO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1O ZINC000292791636 464343953 /nfs/dbraw/zinc/34/39/53/464343953.db2.gz MMTKPDZPOGMWGF-ZYHUDNBSSA-N 1 2 346.349 2.432 20 10 EECDLO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1O ZINC000292791636 464343962 /nfs/dbraw/zinc/34/39/62/464343962.db2.gz MMTKPDZPOGMWGF-ZYHUDNBSSA-N 1 2 346.349 2.432 20 10 EECDLO COc1cccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)c1O ZINC000091479344 462882706 /nfs/dbraw/zinc/88/27/06/462882706.db2.gz FVZDAWZQMHYGHE-ZDUSSCGKSA-N 1 2 344.415 2.012 20 10 EECDLO COc1cccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)c1O ZINC000091479344 462882709 /nfs/dbraw/zinc/88/27/09/462882709.db2.gz FVZDAWZQMHYGHE-ZDUSSCGKSA-N 1 2 344.415 2.012 20 10 EECDLO CCc1nc(CN2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000123943493 463380908 /nfs/dbraw/zinc/38/09/08/463380908.db2.gz WPLAVYXNGWJMTL-UHFFFAOYSA-N 1 2 347.438 2.155 20 10 EECDLO Nc1ccc(CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000178669148 463939142 /nfs/dbraw/zinc/93/91/42/463939142.db2.gz YIOZJHQCMZULEP-IBGZPJMESA-N 1 2 339.439 2.001 20 10 EECDLO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc(Cl)c1O ZINC000287686065 463968970 /nfs/dbraw/zinc/96/89/70/463968970.db2.gz MYKFKSHCOXVALX-ZDUSSCGKSA-N 1 2 326.824 2.368 20 10 EECDLO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775254012 577433659 /nfs/dbraw/zinc/43/36/59/577433659.db2.gz FTCJYBWVCZREGR-KGLIPLIRSA-N 1 2 346.431 2.464 20 10 EECDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c(O)c1 ZINC000768536416 577558087 /nfs/dbraw/zinc/55/80/87/577558087.db2.gz JFKQPNJRSQXAHG-UHFFFAOYSA-N 1 2 341.411 2.144 20 10 EECDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(N2CCOCC2)cc1 ZINC000769205251 577572315 /nfs/dbraw/zinc/57/23/15/577572315.db2.gz XVDRPCNHJOXGTP-UHFFFAOYSA-N 1 2 337.427 2.198 20 10 EECDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(N2CCOCC2)cc1 ZINC000769205251 577572316 /nfs/dbraw/zinc/57/23/16/577572316.db2.gz XVDRPCNHJOXGTP-UHFFFAOYSA-N 1 2 337.427 2.198 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3csc(=O)[nH]3)CC2)cc1 ZINC000769700201 577582542 /nfs/dbraw/zinc/58/25/42/577582542.db2.gz AEMVBSXCJRMOON-UHFFFAOYSA-N 1 2 333.413 2.256 20 10 EECDLO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCCOC1 ZINC000770678818 577601538 /nfs/dbraw/zinc/60/15/38/577601538.db2.gz OOZOOEGJRCWUIG-HNNXBMFYSA-N 1 2 331.771 2.387 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)[C@H]3C[C@]34CCOC4)CC2)cc1 ZINC000763442511 577721262 /nfs/dbraw/zinc/72/12/62/577721262.db2.gz STSDHULUEUZJSY-MJGOQNOKSA-N 1 2 330.428 2.207 20 10 EECDLO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@]1=O ZINC000763482449 577721760 /nfs/dbraw/zinc/72/17/60/577721760.db2.gz KJTYHQSQNQLQAZ-LFVRLGFBSA-N 1 2 340.464 2.005 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@]1=O ZINC000763482449 577721761 /nfs/dbraw/zinc/72/17/61/577721761.db2.gz KJTYHQSQNQLQAZ-LFVRLGFBSA-N 1 2 340.464 2.005 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000763878453 577727279 /nfs/dbraw/zinc/72/72/79/577727279.db2.gz KPZIXNKIGMHYOJ-AWEZNQCLSA-N 1 2 329.824 2.466 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000763878453 577727280 /nfs/dbraw/zinc/72/72/80/577727280.db2.gz KPZIXNKIGMHYOJ-AWEZNQCLSA-N 1 2 329.824 2.466 20 10 EECDLO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756766011 577850017 /nfs/dbraw/zinc/85/00/17/577850017.db2.gz URMBWYMEVQKPFZ-NSHDSACASA-N 1 2 342.386 2.349 20 10 EECDLO CNC(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756481459 578246086 /nfs/dbraw/zinc/24/60/86/578246086.db2.gz AARPBFDKLFAFFP-QMMMGPOBSA-N 1 2 333.201 2.471 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000882946123 1201981986 /nfs/dbraw/zinc/98/19/86/1201981986.db2.gz WTJKCWTYIHWRHP-LBPRGKRZSA-N 1 2 348.212 2.171 20 10 EECDLO Oc1ccc(Cl)cc1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001275277377 1205297875 /nfs/dbraw/zinc/29/78/75/1205297875.db2.gz YSHCXRKHUBWESS-UHFFFAOYSA-N 1 2 332.835 2.477 20 10 EECDLO Cc1cccn2cc(CCNC(=O)/C=C/c3ccc(O)c(O)c3)[nH+]c12 ZINC000779532926 1210416235 /nfs/dbraw/zinc/41/62/35/1210416235.db2.gz XMNUBDNKJVTWEX-FNORWQNLSA-N 1 2 337.379 2.426 20 10 EECDLO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(Br)c2O)C1 ZINC000092101152 1214393730 /nfs/dbraw/zinc/39/37/30/1214393730.db2.gz MIIWVGGVFHPMHJ-GFCCVEGCSA-N 1 2 341.249 2.455 20 10 EECDLO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(Br)c2O)C1 ZINC000092101152 1214393735 /nfs/dbraw/zinc/39/37/35/1214393735.db2.gz MIIWVGGVFHPMHJ-GFCCVEGCSA-N 1 2 341.249 2.455 20 10 EECDLO COc1ccc([N@H+](CCCN2C(=O)CNC2=O)CCC(C)C)cc1 ZINC000796502741 1220104243 /nfs/dbraw/zinc/10/42/43/1220104243.db2.gz DELDKXARUUJFMS-UHFFFAOYSA-N 1 2 333.432 2.490 20 10 EECDLO COc1ccc([N@@H+](CCCN2C(=O)CNC2=O)CCC(C)C)cc1 ZINC000796502741 1220104244 /nfs/dbraw/zinc/10/42/44/1220104244.db2.gz DELDKXARUUJFMS-UHFFFAOYSA-N 1 2 333.432 2.490 20 10 EECDLO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Br)cc(F)c1O ZINC000858548193 1294151400 /nfs/dbraw/zinc/15/14/00/1294151400.db2.gz KFOMINIBSVBKHQ-GXSJLCMTSA-N 1 2 347.228 2.011 20 10 EECDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862365635 1295808853 /nfs/dbraw/zinc/80/88/53/1295808853.db2.gz VJXWSIRVQADCIQ-UKRRQHHQSA-N 1 2 339.430 2.326 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2CC[C@](F)(CO)C2)c1O ZINC001231547322 1303840791 /nfs/dbraw/zinc/84/07/91/1303840791.db2.gz DUASOFHHIDEUFP-CYBMUJFWSA-N 1 2 334.185 2.070 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC001231547322 1303840789 /nfs/dbraw/zinc/84/07/89/1303840789.db2.gz DUASOFHHIDEUFP-CYBMUJFWSA-N 1 2 334.185 2.070 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000781915253 1303899681 /nfs/dbraw/zinc/89/96/81/1303899681.db2.gz XSEYJJQFLFEPAD-UHFFFAOYSA-N 1 2 328.206 2.412 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000781915253 1303899684 /nfs/dbraw/zinc/89/96/84/1303899684.db2.gz XSEYJJQFLFEPAD-UHFFFAOYSA-N 1 2 328.206 2.412 20 10 EECDLO COC(=O)c1c(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c2ccccc2n1C ZINC001232405114 1304109827 /nfs/dbraw/zinc/10/98/27/1304109827.db2.gz FWDCDZLUTLKRFJ-ZDUSSCGKSA-N 1 2 345.418 2.193 20 10 EECDLO COC(=O)c1c(CN2CC([N@H+]3CC[C@H](F)C3)C2)c2ccccc2n1C ZINC001232405114 1304109832 /nfs/dbraw/zinc/10/98/32/1304109832.db2.gz FWDCDZLUTLKRFJ-ZDUSSCGKSA-N 1 2 345.418 2.193 20 10 EECDLO Oc1cc(I)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001232977809 1304313232 /nfs/dbraw/zinc/31/32/32/1304313232.db2.gz NEPTZXIUTZAAHR-CYBMUJFWSA-N 1 2 345.180 2.362 20 10 EECDLO Oc1cc(I)ccc1C[N@H+]1CC[C@]12CCOC2 ZINC001232977809 1304313240 /nfs/dbraw/zinc/31/32/40/1304313240.db2.gz NEPTZXIUTZAAHR-CYBMUJFWSA-N 1 2 345.180 2.362 20 10 EECDLO COc1cc(Cl)cc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c1O ZINC001233291325 1304419049 /nfs/dbraw/zinc/41/90/49/1304419049.db2.gz VWLRVUKCGITVQO-VXGBXAGGSA-N 1 2 340.851 2.348 20 10 EECDLO COc1cccnc1N1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233335635 1304435168 /nfs/dbraw/zinc/43/51/68/1304435168.db2.gz DXVDSRPNLCHHBW-UHFFFAOYSA-N 1 2 335.354 2.396 20 10 EECDLO Cn1c[nH+]c2c1CCN(Cc1cc(O)c(Br)cc1O)C2 ZINC001236763364 1305665321 /nfs/dbraw/zinc/66/53/21/1305665321.db2.gz YCNIDMCMTPSXEN-UHFFFAOYSA-N 1 2 338.205 2.152 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3cccnn3)CC2)c(Cl)c1 ZINC001236804498 1305681804 /nfs/dbraw/zinc/68/18/04/1305681804.db2.gz VHLYXPLNPXQPIB-UHFFFAOYSA-N 1 2 334.807 2.166 20 10 EECDLO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237621992 1306011831 /nfs/dbraw/zinc/01/18/31/1306011831.db2.gz KUAUVNDVBUZEBM-ZDUSSCGKSA-N 1 2 344.814 2.302 20 10 EECDLO CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237621992 1306011844 /nfs/dbraw/zinc/01/18/44/1306011844.db2.gz KUAUVNDVBUZEBM-ZDUSSCGKSA-N 1 2 344.814 2.302 20 10 EECDLO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2cccnc2)c(O)c1 ZINC001249215309 1317024789 /nfs/dbraw/zinc/02/47/89/1317024789.db2.gz ZYEFZXVZRDGAKX-QGZVFWFLSA-N 1 2 342.395 2.076 20 10 EECDLO COC(=O)Cc1ccc(C[N@H+]2CCOC[C@@H]2c2cccnc2)c(O)c1 ZINC001249215309 1317024799 /nfs/dbraw/zinc/02/47/99/1317024799.db2.gz ZYEFZXVZRDGAKX-QGZVFWFLSA-N 1 2 342.395 2.076 20 10 EECDLO [NH3+][C@H]1CN(Cc2c(O)cc(Br)cc2F)CCC1(F)F ZINC001206683508 1323560259 /nfs/dbraw/zinc/56/02/59/1323560259.db2.gz LMWPEIIEDQWHOK-NSHDSACASA-N 1 2 339.155 2.462 20 10 EECDLO Nc1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC001335737230 1336420076 /nfs/dbraw/zinc/42/00/76/1336420076.db2.gz MXWSMLDCZKMWDO-UHFFFAOYSA-N 1 2 325.416 2.450 20 10 EECDLO Cc1cc(C(=O)C[N@@H+](C)C2CC(O)C2)c(C)n1-c1ccc(F)cn1 ZINC000828867420 1372253549 /nfs/dbraw/zinc/25/35/49/1372253549.db2.gz BVFDJKRDVVCDNS-UHFFFAOYSA-N 1 2 331.391 2.266 20 10 EECDLO Cc1cc(C(=O)C[N@H+](C)C2CC(O)C2)c(C)n1-c1ccc(F)cn1 ZINC000828867420 1372253560 /nfs/dbraw/zinc/25/35/60/1372253560.db2.gz BVFDJKRDVVCDNS-UHFFFAOYSA-N 1 2 331.391 2.266 20 10 EECDLO COCC1(CC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)CCC1 ZINC001591387826 1403908529 /nfs/dbraw/zinc/90/85/29/1403908529.db2.gz FUQVFNNERWHJRG-GFCCVEGCSA-N 1 2 331.420 2.430 20 10 EECDLO Nc1ccc(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000237925249 774405113 /nfs/dbraw/zinc/40/51/13/774405113.db2.gz NKCYGFIKNPVIKG-UHFFFAOYSA-N 1 2 325.412 2.282 20 10 EECDLO CC[C@@H](C)C(=O)NCCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001089811431 776183588 /nfs/dbraw/zinc/18/35/88/776183588.db2.gz FAZJWHRZAZTCKX-CYBMUJFWSA-N 1 2 342.447 2.052 20 10 EECDLO COc1ccc(N2CC[C@H](CNC(=O)CNc3cccc[nH+]3)C2)cc1 ZINC000911276425 787347554 /nfs/dbraw/zinc/34/75/54/787347554.db2.gz MMMGQRSTDPBPBK-OAHLLOKOSA-N 1 2 340.427 2.145 20 10 EECDLO O=C1C[N@H+](Cc2c(O)cc(O)cc2O)CCN1c1cccc(Cl)c1 ZINC001144515055 789914066 /nfs/dbraw/zinc/91/40/66/789914066.db2.gz CRDUMPJLZYNLLQ-UHFFFAOYSA-N 1 2 348.786 2.306 20 10 EECDLO O=C1C[N@@H+](Cc2c(O)cc(O)cc2O)CCN1c1cccc(Cl)c1 ZINC001144515055 789914069 /nfs/dbraw/zinc/91/40/69/789914069.db2.gz CRDUMPJLZYNLLQ-UHFFFAOYSA-N 1 2 348.786 2.306 20 10 EECDLO COc1cc(C(=O)NC2C[NH+](Cc3ccc(C)cc3)C2)cc(OC)n1 ZINC001030611491 791273364 /nfs/dbraw/zinc/27/33/64/791273364.db2.gz IMRNXOPWRCDVCE-UHFFFAOYSA-N 1 2 341.411 2.021 20 10 EECDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000152430959 794924137 /nfs/dbraw/zinc/92/41/37/794924137.db2.gz SZIPFYBHOLNNFJ-UHFFFAOYSA-N 1 2 329.462 2.262 20 10 EECDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000152430959 794924145 /nfs/dbraw/zinc/92/41/45/794924145.db2.gz SZIPFYBHOLNNFJ-UHFFFAOYSA-N 1 2 329.462 2.262 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000103134631 803660370 /nfs/dbraw/zinc/66/03/70/803660370.db2.gz GJZOVGPUBLDILM-KRWDZBQOSA-N 1 2 345.395 2.391 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000103134631 803660372 /nfs/dbraw/zinc/66/03/72/803660372.db2.gz GJZOVGPUBLDILM-KRWDZBQOSA-N 1 2 345.395 2.391 20 10 EECDLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000289774652 464093942 /nfs/dbraw/zinc/09/39/42/464093942.db2.gz RKINQFHLEBNCHE-BXUZGUMPSA-N 1 2 346.880 2.243 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000179581362 464160208 /nfs/dbraw/zinc/16/02/08/464160208.db2.gz KVAHIAYPANMEFB-GFCCVEGCSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000179581362 464160203 /nfs/dbraw/zinc/16/02/03/464160203.db2.gz KVAHIAYPANMEFB-GFCCVEGCSA-N 1 2 327.222 2.303 20 10 EECDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cccc(O)c1O ZINC000188234618 464232371 /nfs/dbraw/zinc/23/23/71/464232371.db2.gz UTBBGCMTCKNZMJ-UHFFFAOYSA-N 1 2 328.368 2.182 20 10 EECDLO Nc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000237904237 464400242 /nfs/dbraw/zinc/40/02/42/464400242.db2.gz UUALGYDIGSGTDY-INIZCTEOSA-N 1 2 345.468 2.063 20 10 EECDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1c(F)ccc(O)c1O ZINC000294647050 464562612 /nfs/dbraw/zinc/56/26/12/464562612.db2.gz BGHYLPGUMCFFIB-GFCCVEGCSA-N 1 2 334.347 2.397 20 10 EECDLO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000276299539 464880826 /nfs/dbraw/zinc/88/08/26/464880826.db2.gz UPDOFDPRQXHVPN-VIFPVBQESA-N 1 2 325.210 2.442 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000282808622 464956582 /nfs/dbraw/zinc/95/65/82/464956582.db2.gz PAEDUKPRDPMBEJ-INIZCTEOSA-N 1 2 349.475 2.425 20 10 EECDLO COc1ccc(N2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cc1 ZINC000192814006 534002265 /nfs/dbraw/zinc/00/22/65/534002265.db2.gz BFJTYKYSVKHDGK-UHFFFAOYSA-N 1 2 328.416 2.090 20 10 EECDLO COc1ccc(N2CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cc1 ZINC000192814006 534002276 /nfs/dbraw/zinc/00/22/76/534002276.db2.gz BFJTYKYSVKHDGK-UHFFFAOYSA-N 1 2 328.416 2.090 20 10 EECDLO COc1ccc([NH+]2CCC(NS(=O)(=O)CC(C)C)CC2)cc1 ZINC000726602223 576279116 /nfs/dbraw/zinc/27/91/16/576279116.db2.gz UFEVJFHBLCJDMP-UHFFFAOYSA-N 1 2 326.462 2.239 20 10 EECDLO O=C(NCc1ccccc1O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000732279202 577164837 /nfs/dbraw/zinc/16/48/37/577164837.db2.gz GVWQPDAACBIPTB-UHFFFAOYSA-N 1 2 326.396 2.154 20 10 EECDLO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773316554 577332742 /nfs/dbraw/zinc/33/27/42/577332742.db2.gz WDESJWKXJXWKER-JYJNAYRXSA-N 1 2 348.491 2.222 20 10 EECDLO CCOC(=O)[C@@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000763273391 577718267 /nfs/dbraw/zinc/71/82/67/577718267.db2.gz XUFPCAWNJAUKJP-MRVPVSSYSA-N 1 2 332.194 2.205 20 10 EECDLO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC[S@](=O)C1 ZINC000763646719 577723859 /nfs/dbraw/zinc/72/38/59/577723859.db2.gz AJYOJCZDGUHFLZ-YPMLDQLKSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[S@](=O)C1 ZINC000763646719 577723860 /nfs/dbraw/zinc/72/38/60/577723860.db2.gz AJYOJCZDGUHFLZ-YPMLDQLKSA-N 1 2 332.263 2.355 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000161999502 679356636 /nfs/dbraw/zinc/35/66/36/679356636.db2.gz HHJKFTNBHRMPMN-NSHDSACASA-N 1 2 343.221 2.003 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000161999502 679356639 /nfs/dbraw/zinc/35/66/39/679356639.db2.gz HHJKFTNBHRMPMN-NSHDSACASA-N 1 2 343.221 2.003 20 10 EECDLO CC(C)CN1C(=O)COCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001273108152 1194391710 /nfs/dbraw/zinc/39/17/10/1194391710.db2.gz ISDBPCKMYMZEKZ-UHFFFAOYSA-N 1 2 338.835 2.115 20 10 EECDLO CC(C)CN1C(=O)COCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001273164673 1197226095 /nfs/dbraw/zinc/22/60/95/1197226095.db2.gz YKMFYXCWIXVPOX-UHFFFAOYSA-N 1 2 338.835 2.115 20 10 EECDLO COC(=O)N1CC([NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000883051013 1202003347 /nfs/dbraw/zinc/00/33/47/1202003347.db2.gz JXQPBIHOHWOGJR-UHFFFAOYSA-N 1 2 349.612 2.348 20 10 EECDLO CCn1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nn1 ZINC000850366408 1277201343 /nfs/dbraw/zinc/20/13/43/1277201343.db2.gz YVJJGHWJTCQZHC-UHFFFAOYSA-N 1 2 344.419 2.486 20 10 EECDLO CN(C)c1ccc(-c2nc(C(=O)N3CC[NH+](C)CC3)cs2)cc1 ZINC001193162137 1282367401 /nfs/dbraw/zinc/36/74/01/1282367401.db2.gz VJQPUEXSFIQHQS-UHFFFAOYSA-N 1 2 330.457 2.264 20 10 EECDLO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Br)c(F)cc1O ZINC000858549477 1294151204 /nfs/dbraw/zinc/15/12/04/1294151204.db2.gz VTOMMEAMOJNHHO-VHSXEESVSA-N 1 2 347.228 2.011 20 10 EECDLO Cc1cc(C[N@H+]2CCc3c([nH]nc3C(=O)N(C)C)C2)ccc1N(C)C ZINC001276929379 1300317051 /nfs/dbraw/zinc/31/70/51/1300317051.db2.gz VREBHWUPVJDDAL-UHFFFAOYSA-N 1 2 341.459 2.044 20 10 EECDLO Cc1cc(C[N@@H+]2CCc3c([nH]nc3C(=O)N(C)C)C2)ccc1N(C)C ZINC001276929379 1300317061 /nfs/dbraw/zinc/31/70/61/1300317061.db2.gz VREBHWUPVJDDAL-UHFFFAOYSA-N 1 2 341.459 2.044 20 10 EECDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(F)cc(C)c2O)n(C)n1 ZINC001277519760 1303799675 /nfs/dbraw/zinc/79/96/75/1303799675.db2.gz KDZDIROMMIZGRE-HDICACEKSA-N 1 2 344.434 2.340 20 10 EECDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(F)cc(C)c2O)n(C)n1 ZINC001277519760 1303799681 /nfs/dbraw/zinc/79/96/81/1303799681.db2.gz KDZDIROMMIZGRE-HDICACEKSA-N 1 2 344.434 2.340 20 10 EECDLO COC(=O)[C@H]1C[C@](O)(C(F)(F)F)C[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231843228 1303928543 /nfs/dbraw/zinc/92/85/43/1303928543.db2.gz SXWYERCMGQFQHW-IUODEOHRSA-N 1 2 347.333 2.050 20 10 EECDLO COC(=O)[C@H]1C[C@](O)(C(F)(F)F)C[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231843228 1303928548 /nfs/dbraw/zinc/92/85/48/1303928548.db2.gz SXWYERCMGQFQHW-IUODEOHRSA-N 1 2 347.333 2.050 20 10 EECDLO Oc1c(Cl)cccc1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001231910918 1303944232 /nfs/dbraw/zinc/94/42/32/1303944232.db2.gz ZJHUTKOXNVCHOS-OKILXGFUSA-N 1 2 330.819 2.404 20 10 EECDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001231910918 1303944234 /nfs/dbraw/zinc/94/42/34/1303944234.db2.gz ZJHUTKOXNVCHOS-OKILXGFUSA-N 1 2 330.819 2.404 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001233334436 1304435376 /nfs/dbraw/zinc/43/53/76/1304435376.db2.gz GXDVOPODMIVASA-JGGQBBKZSA-N 1 2 325.355 2.296 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001233334436 1304435379 /nfs/dbraw/zinc/43/53/79/1304435379.db2.gz GXDVOPODMIVASA-JGGQBBKZSA-N 1 2 325.355 2.296 20 10 EECDLO Oc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1O ZINC001233487444 1304479611 /nfs/dbraw/zinc/47/96/11/1304479611.db2.gz DCYZFYTUUAPEDS-HNNXBMFYSA-N 1 2 328.359 2.109 20 10 EECDLO COCC[NH+](CCOC)Cc1cc(F)cc(Br)c1O ZINC001235299359 1305181639 /nfs/dbraw/zinc/18/16/39/1305181639.db2.gz UJPUCZCLDQZGCE-UHFFFAOYSA-N 1 2 336.201 2.389 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCOC[C@](C)(O)C2)c1 ZINC001236662915 1305628383 /nfs/dbraw/zinc/62/83/83/1305628383.db2.gz JEMWXEVIHXVIRY-CQSZACIVSA-N 1 2 330.222 2.046 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCOC[C@](C)(O)C2)c1 ZINC001236662915 1305628386 /nfs/dbraw/zinc/62/83/86/1305628386.db2.gz JEMWXEVIHXVIRY-CQSZACIVSA-N 1 2 330.222 2.046 20 10 EECDLO FCCN1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236928160 1305732033 /nfs/dbraw/zinc/73/20/33/1305732033.db2.gz UTBKKFTXCOQKTK-UHFFFAOYSA-N 1 2 341.858 2.264 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001139129302 1314708342 /nfs/dbraw/zinc/70/83/42/1314708342.db2.gz VEIHTMXEVMKSFT-ZDUSSCGKSA-N 1 2 340.383 2.236 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001139129302 1314708346 /nfs/dbraw/zinc/70/83/46/1314708346.db2.gz VEIHTMXEVMKSFT-ZDUSSCGKSA-N 1 2 340.383 2.236 20 10 EECDLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139133327 1314709311 /nfs/dbraw/zinc/70/93/11/1314709311.db2.gz GZEBPSQLQHYRKV-CQSZACIVSA-N 1 2 344.411 2.250 20 10 EECDLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139133327 1314709313 /nfs/dbraw/zinc/70/93/13/1314709313.db2.gz GZEBPSQLQHYRKV-CQSZACIVSA-N 1 2 344.411 2.250 20 10 EECDLO Oc1cc(F)cc(F)c1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001140581326 1314909624 /nfs/dbraw/zinc/90/96/24/1314909624.db2.gz VAJITWHSHFWNTP-RYUDHWBXSA-N 1 2 332.354 2.029 20 10 EECDLO COc1ccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)c(O)c1 ZINC000840296543 1315346928 /nfs/dbraw/zinc/34/69/28/1315346928.db2.gz WZOVYNKTVSEGMO-GXTWGEPZSA-N 1 2 344.415 2.010 20 10 EECDLO COc1ccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)c(O)c1 ZINC000840296543 1315346937 /nfs/dbraw/zinc/34/69/37/1315346937.db2.gz WZOVYNKTVSEGMO-GXTWGEPZSA-N 1 2 344.415 2.010 20 10 EECDLO Nc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001343473856 1337334868 /nfs/dbraw/zinc/33/48/68/1337334868.db2.gz QKPJMMYDCPIXHP-UHFFFAOYSA-N 1 2 325.412 2.031 20 10 EECDLO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001603662712 1350737194 /nfs/dbraw/zinc/73/71/94/1350737194.db2.gz NXBJBHLRIYCGIC-OLZOCXBDSA-N 1 2 330.436 2.097 20 10 EECDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3ccoc3)CC2)cc1 ZINC000918738881 769359954 /nfs/dbraw/zinc/35/99/54/769359954.db2.gz OAVLTYPBJVSWPA-UHFFFAOYSA-N 1 2 343.427 2.069 20 10 EECDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3ccoc3)CC2)cc1 ZINC000918738881 769359968 /nfs/dbraw/zinc/35/99/68/769359968.db2.gz OAVLTYPBJVSWPA-UHFFFAOYSA-N 1 2 343.427 2.069 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)[C@H]3CCOC3)CC2)c(C)c(C)[nH+]1 ZINC001089813132 776279938 /nfs/dbraw/zinc/27/99/38/776279938.db2.gz KOVLQVVDGATSOW-KRWDZBQOSA-N 1 2 344.459 2.081 20 10 EECDLO Cc1cc(C(=O)O[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000181626803 777274752 /nfs/dbraw/zinc/27/47/52/777274752.db2.gz OVXHJFUSTZOSTG-OAHLLOKOSA-N 1 2 343.427 2.367 20 10 EECDLO Cc1nc(CN2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)no1 ZINC000824762751 788306103 /nfs/dbraw/zinc/30/61/03/788306103.db2.gz XAWVEZVKYDJNBX-UHFFFAOYSA-N 1 2 336.823 2.363 20 10 EECDLO CC(C)C[N@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715740007 795492832 /nfs/dbraw/zinc/49/28/32/795492832.db2.gz YSWSDUXRVRGKAB-UHFFFAOYSA-N 1 2 333.201 2.237 20 10 EECDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715740007 795492836 /nfs/dbraw/zinc/49/28/36/795492836.db2.gz YSWSDUXRVRGKAB-UHFFFAOYSA-N 1 2 333.201 2.237 20 10 EECDLO C[C@@H]([NH2+]Cc1cnnn1C)c1cc(Br)cc(F)c1O ZINC000806659808 811947280 /nfs/dbraw/zinc/94/72/80/811947280.db2.gz FYNBGXUKLXNMDL-SSDOTTSWSA-N 1 2 329.173 2.273 20 10 EECDLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001119614007 1126147816 /nfs/dbraw/zinc/14/78/16/1126147816.db2.gz UDZDWAILLJAVIB-KRWDZBQOSA-N 1 2 328.416 2.186 20 10 EECDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CCn2c[nH+]cc2C1 ZINC000292603769 238185139 /nfs/dbraw/zinc/18/51/39/238185139.db2.gz WGQASFKYYXCAAO-UHFFFAOYSA-N 1 2 325.416 2.209 20 10 EECDLO COCCC[N@H+](Cc1c(O)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000120161834 462968105 /nfs/dbraw/zinc/96/81/05/462968105.db2.gz WCQJXVCFZCHGOU-GFCCVEGCSA-N 1 2 347.864 2.071 20 10 EECDLO COCCC[N@@H+](Cc1c(O)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000120161834 462968111 /nfs/dbraw/zinc/96/81/11/462968111.db2.gz WCQJXVCFZCHGOU-GFCCVEGCSA-N 1 2 347.864 2.071 20 10 EECDLO COc1c(O)c(C[NH2+]Cc2nccn2C(F)F)ccc1[N+](=O)[O-] ZINC000278608495 463972642 /nfs/dbraw/zinc/97/26/42/463972642.db2.gz DMBHGMSQHVQJDJ-UHFFFAOYSA-N 1 2 328.275 2.190 20 10 EECDLO COC(=O)c1cnoc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000285754304 464683070 /nfs/dbraw/zinc/68/30/70/464683070.db2.gz VTZHMJFTTMEPGK-AWEZNQCLSA-N 1 2 346.383 2.348 20 10 EECDLO COC(=O)c1cnoc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000285754304 464683075 /nfs/dbraw/zinc/68/30/75/464683075.db2.gz VTZHMJFTTMEPGK-AWEZNQCLSA-N 1 2 346.383 2.348 20 10 EECDLO CCN(CC)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccccn2)cc1F ZINC000295097797 464704217 /nfs/dbraw/zinc/70/42/17/464704217.db2.gz JYNQOYNSVCATRE-QGZVFWFLSA-N 1 2 330.407 2.383 20 10 EECDLO C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400692 464714352 /nfs/dbraw/zinc/71/43/52/464714352.db2.gz MXOSWUNTJNRZMX-MJBXVCDLSA-N 1 2 337.420 2.450 20 10 EECDLO C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400692 464714356 /nfs/dbraw/zinc/71/43/56/464714356.db2.gz MXOSWUNTJNRZMX-MJBXVCDLSA-N 1 2 337.420 2.450 20 10 EECDLO C[C@H]([NH2+]C[C@H]1COCCN1)c1cc(Br)cc(Cl)c1O ZINC000530228297 467965750 /nfs/dbraw/zinc/96/57/50/467965750.db2.gz ZTAMYEXHPKJPQA-WPRPVWTQSA-N 1 2 349.656 2.447 20 10 EECDLO O=S1(=O)CC[C@H]([N@H+](Cc2cc(Cl)cc(F)c2O)C2CC2)C1 ZINC000775648817 577441788 /nfs/dbraw/zinc/44/17/88/577441788.db2.gz FTNQVANKYVCQMH-LBPRGKRZSA-N 1 2 333.812 2.336 20 10 EECDLO O=S1(=O)CC[C@H]([N@@H+](Cc2cc(Cl)cc(F)c2O)C2CC2)C1 ZINC000775648817 577441789 /nfs/dbraw/zinc/44/17/89/577441789.db2.gz FTNQVANKYVCQMH-LBPRGKRZSA-N 1 2 333.812 2.336 20 10 EECDLO Cn1cccc1C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768219511 577552306 /nfs/dbraw/zinc/55/23/06/577552306.db2.gz ICGHQYAITNUAOB-UHFFFAOYSA-N 1 2 333.819 2.342 20 10 EECDLO Cc1nc(C2([NH2+]Cc3cc4c(cc3O)OC[C@@H]4O)CCCCC2)no1 ZINC000768453336 577556066 /nfs/dbraw/zinc/55/60/66/577556066.db2.gz VMGBGYRQLOAXJA-HNNXBMFYSA-N 1 2 345.399 2.459 20 10 EECDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000756396822 577843417 /nfs/dbraw/zinc/84/34/17/577843417.db2.gz KTWUKMVNASCFSG-TZMCWYRMSA-N 1 2 332.356 2.391 20 10 EECDLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894877682 683282509 /nfs/dbraw/zinc/28/25/09/683282509.db2.gz GYLIUCUYAZFMLK-NWDGAFQWSA-N 1 2 332.350 2.451 20 10 EECDLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894877682 683282516 /nfs/dbraw/zinc/28/25/16/683282516.db2.gz GYLIUCUYAZFMLK-NWDGAFQWSA-N 1 2 332.350 2.451 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3nccnc3C)CC2)c(OC)c1 ZINC000877708170 1200044442 /nfs/dbraw/zinc/04/44/42/1200044442.db2.gz CLEAQVZBAGHXCO-UHFFFAOYSA-N 1 2 328.416 2.124 20 10 EECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C)co3)CC2)cc1 ZINC000878830523 1200702202 /nfs/dbraw/zinc/70/22/02/1200702202.db2.gz UPNSBSTXMOIMMD-UHFFFAOYSA-N 1 2 343.427 2.149 20 10 EECDLO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883132775 1202018149 /nfs/dbraw/zinc/01/81/49/1202018149.db2.gz CSBUFTDOMZRZGM-ZANVPECISA-N 1 2 348.212 2.435 20 10 EECDLO Cc1cc(C(=O)C[N@H+](C)CCOCCO)c(C)n1-c1cccc(F)c1 ZINC000800508530 1234234477 /nfs/dbraw/zinc/23/44/77/1234234477.db2.gz YHYOYWZPOKOJON-UHFFFAOYSA-N 1 2 348.418 2.357 20 10 EECDLO Cc1cc(C(=O)C[N@@H+](C)CCOCCO)c(C)n1-c1cccc(F)c1 ZINC000800508530 1234234479 /nfs/dbraw/zinc/23/44/79/1234234479.db2.gz YHYOYWZPOKOJON-UHFFFAOYSA-N 1 2 348.418 2.357 20 10 EECDLO C[C@@H](NC(=O)CNc1cccc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000900386655 1234301218 /nfs/dbraw/zinc/30/12/18/1234301218.db2.gz BQCZWBUMAYOYTA-OAHLLOKOSA-N 1 2 340.427 2.208 20 10 EECDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](F)(CO)C2)ccc1N1CCCCC1 ZINC000802660801 1237947625 /nfs/dbraw/zinc/94/76/25/1237947625.db2.gz WQGVFMQPIUCVTG-QGZVFWFLSA-N 1 2 337.395 2.491 20 10 EECDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](F)(CO)C2)ccc1N1CCCCC1 ZINC000802660801 1237947638 /nfs/dbraw/zinc/94/76/38/1237947638.db2.gz WQGVFMQPIUCVTG-QGZVFWFLSA-N 1 2 337.395 2.491 20 10 EECDLO O=C(N1CC(F)(C2CC2)C1)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001276915058 1300244028 /nfs/dbraw/zinc/24/40/28/1300244028.db2.gz YGTHWGAWYGZGME-KUHUBIRLSA-N 1 2 346.402 2.023 20 10 EECDLO O=C(N1CC(F)(C2CC2)C1)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001276915058 1300244040 /nfs/dbraw/zinc/24/40/40/1300244040.db2.gz YGTHWGAWYGZGME-KUHUBIRLSA-N 1 2 346.402 2.023 20 10 EECDLO C[N@H+]1C[C@H]2CN(Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@@H](C1)O2 ZINC001277422532 1302953703 /nfs/dbraw/zinc/95/37/03/1302953703.db2.gz IWMJRFKUOLJPHS-GASCZTMLSA-N 1 2 330.428 2.091 20 10 EECDLO C[N@@H+]1C[C@H]2CN(Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@@H](C1)O2 ZINC001277422532 1302953707 /nfs/dbraw/zinc/95/37/07/1302953707.db2.gz IWMJRFKUOLJPHS-GASCZTMLSA-N 1 2 330.428 2.091 20 10 EECDLO Oc1c(Cl)cc(Cl)cc1CN1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001236163047 1305518551 /nfs/dbraw/zinc/51/85/51/1305518551.db2.gz JYLWFAQONDGUAD-CYBMUJFWSA-N 1 2 331.243 2.388 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3cnccn3)CC2)c(Cl)c1 ZINC001236797194 1305679222 /nfs/dbraw/zinc/67/92/22/1305679222.db2.gz CWOUCDIKKQKFCN-UHFFFAOYSA-N 1 2 334.807 2.166 20 10 EECDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c(O)c1Cl ZINC001236817089 1305687347 /nfs/dbraw/zinc/68/73/47/1305687347.db2.gz CMTSIEZDKLZECZ-YPMHNXCESA-N 1 2 338.835 2.497 20 10 EECDLO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c(O)c1Cl ZINC001236817089 1305687355 /nfs/dbraw/zinc/68/73/55/1305687355.db2.gz CMTSIEZDKLZECZ-YPMHNXCESA-N 1 2 338.835 2.497 20 10 EECDLO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC001236926415 1305730605 /nfs/dbraw/zinc/73/06/05/1305730605.db2.gz FPJROPGCDNIQBN-UHFFFAOYSA-N 1 2 338.835 2.125 20 10 EECDLO Clc1cc(N2CCOCC2)ccc1C[N@H+]1CCC2(C1)OCCO2 ZINC001236926415 1305730616 /nfs/dbraw/zinc/73/06/16/1305730616.db2.gz FPJROPGCDNIQBN-UHFFFAOYSA-N 1 2 338.835 2.125 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237072412 1305788778 /nfs/dbraw/zinc/78/87/78/1305788778.db2.gz GGALJDXJOIAZHB-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO Cc1cc(F)cc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c1O ZINC001238067411 1306207471 /nfs/dbraw/zinc/20/74/71/1306207471.db2.gz TWLOILFYDWOIKR-UHFFFAOYSA-N 1 2 329.375 2.193 20 10 EECDLO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC000840976405 1315450536 /nfs/dbraw/zinc/45/05/36/1315450536.db2.gz VYRNDFOXEUNPKK-UHFFFAOYSA-N 1 2 335.828 2.489 20 10 EECDLO Oc1cc(F)cc(F)c1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001140581327 1314909256 /nfs/dbraw/zinc/90/92/56/1314909256.db2.gz VAJITWHSHFWNTP-TXEJJXNPSA-N 1 2 332.354 2.029 20 10 EECDLO Oc1cc(F)cc(F)c1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001140581327 1314909257 /nfs/dbraw/zinc/90/92/57/1314909257.db2.gz VAJITWHSHFWNTP-TXEJJXNPSA-N 1 2 332.354 2.029 20 10 EECDLO COc1cc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)cc(O)c1O ZINC001204343731 1322119579 /nfs/dbraw/zinc/11/95/79/1322119579.db2.gz ABBBKUSKAZAFJC-UHFFFAOYSA-N 1 2 349.818 2.477 20 10 EECDLO Oc1cc(O)c(C[NH+]2CC3(CN(CCCC(F)(F)F)C3)C2)cc1O ZINC001276516911 1323905887 /nfs/dbraw/zinc/90/58/87/1323905887.db2.gz VKNUEVPGNOBBCH-UHFFFAOYSA-N 1 2 346.349 2.264 20 10 EECDLO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589951270 1349075924 /nfs/dbraw/zinc/07/59/24/1349075924.db2.gz AAQHKGSWMCLSAR-SZYCXQDTSA-N 1 2 341.415 2.181 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(-c2nn[nH]n2)c1O ZINC001589954674 1349078146 /nfs/dbraw/zinc/07/81/46/1349078146.db2.gz IKJSRLSNYOYMMT-OBCWZRDOSA-N 1 2 329.404 2.181 20 10 EECDLO COc1ccccc1CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001591648138 1349524621 /nfs/dbraw/zinc/52/46/21/1349524621.db2.gz ALSVJZQONBYHIS-LBPRGKRZSA-N 1 2 339.399 2.474 20 10 EECDLO CC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055323 1350842282 /nfs/dbraw/zinc/84/22/82/1350842282.db2.gz MGISQVWYHWDIDF-AWEZNQCLSA-N 1 2 343.431 2.308 20 10 EECDLO Cc1cc(O)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)c(Cl)c1 ZINC001592056067 1403991541 /nfs/dbraw/zinc/99/15/41/1403991541.db2.gz JJVZSYWZOUHASA-UHFFFAOYSA-N 1 2 330.779 2.219 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000066313602 776953103 /nfs/dbraw/zinc/95/31/03/776953103.db2.gz FWBPBPUPBZRNJJ-IAGOWNOFSA-N 1 2 345.487 2.322 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825278334 788547440 /nfs/dbraw/zinc/54/74/40/788547440.db2.gz BNMKYIVCUIJINQ-SNVBAGLBSA-N 1 2 329.803 2.420 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825278334 788547446 /nfs/dbraw/zinc/54/74/46/788547446.db2.gz BNMKYIVCUIJINQ-SNVBAGLBSA-N 1 2 329.803 2.420 20 10 EECDLO CC[C@]1(C(C)C)NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000151370323 788897901 /nfs/dbraw/zinc/89/79/01/788897901.db2.gz LZXBDXAFNHELBX-LJQANCHMSA-N 1 2 346.475 2.499 20 10 EECDLO CC[C@]1(C(C)C)NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000151370323 788897908 /nfs/dbraw/zinc/89/79/08/788897908.db2.gz LZXBDXAFNHELBX-LJQANCHMSA-N 1 2 346.475 2.499 20 10 EECDLO Oc1c(Br)cccc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846111568 790054802 /nfs/dbraw/zinc/05/48/02/790054802.db2.gz UFLVCDPKHHLOSR-CQSZACIVSA-N 1 2 330.222 2.176 20 10 EECDLO CC1(C(N)=O)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235069334 795797443 /nfs/dbraw/zinc/79/74/43/795797443.db2.gz ROLVHCOTFCUGIT-UHFFFAOYSA-N 1 2 345.212 2.381 20 10 EECDLO CN(C)c1ccc(C[NH2+]Cc2nnnn2C2CC2)c(C(F)(F)F)c1 ZINC000793000183 810101958 /nfs/dbraw/zinc/10/19/58/810101958.db2.gz HCXAPFDBOKAKSD-UHFFFAOYSA-N 1 2 340.353 2.383 20 10 EECDLO O=C1C[N@@H+](Cc2cc(Br)ccc2O)[C@H]2CCCC[C@H]2N1 ZINC000092676440 237042551 /nfs/dbraw/zinc/04/25/51/237042551.db2.gz ZWBVECIJTNULRA-OLZOCXBDSA-N 1 2 339.233 2.398 20 10 EECDLO O=C1C[N@H+](Cc2cc(Br)ccc2O)[C@H]2CCCC[C@H]2N1 ZINC000092676440 237042555 /nfs/dbraw/zinc/04/25/55/237042555.db2.gz ZWBVECIJTNULRA-OLZOCXBDSA-N 1 2 339.233 2.398 20 10 EECDLO CCCS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121041056 463070084 /nfs/dbraw/zinc/07/00/84/463070084.db2.gz KPPPNNAMYGIHCA-INIZCTEOSA-N 1 2 341.473 2.198 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCC[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000289138530 464068183 /nfs/dbraw/zinc/06/81/83/464068183.db2.gz AAYSFAAOPHVTMB-LBPRGKRZSA-N 1 2 334.332 2.338 20 10 EECDLO COc1c(O)c(C[N@H+]2CCC[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000289138530 464068191 /nfs/dbraw/zinc/06/81/91/464068191.db2.gz AAYSFAAOPHVTMB-LBPRGKRZSA-N 1 2 334.332 2.338 20 10 EECDLO CC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279642543 464118404 /nfs/dbraw/zinc/11/84/04/464118404.db2.gz LXXIPQIFGKJBEH-UHFFFAOYSA-N 1 2 329.366 2.436 20 10 EECDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000179573089 464159505 /nfs/dbraw/zinc/15/95/05/464159505.db2.gz DNQQENOOHYYRAV-OAHLLOKOSA-N 1 2 338.835 2.177 20 10 EECDLO COCCC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179605936 464163016 /nfs/dbraw/zinc/16/30/16/464163016.db2.gz MXKIQABGSRVDKH-CYBMUJFWSA-N 1 2 347.864 2.071 20 10 EECDLO COCCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179605936 464163021 /nfs/dbraw/zinc/16/30/21/464163021.db2.gz MXKIQABGSRVDKH-CYBMUJFWSA-N 1 2 347.864 2.071 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000298678138 465470056 /nfs/dbraw/zinc/47/00/56/465470056.db2.gz YWYRLAJVYAGDAE-SFHVURJKSA-N 1 2 341.459 2.319 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000298678138 465470061 /nfs/dbraw/zinc/47/00/61/465470061.db2.gz YWYRLAJVYAGDAE-SFHVURJKSA-N 1 2 341.459 2.319 20 10 EECDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295113573 464710390 /nfs/dbraw/zinc/71/03/90/464710390.db2.gz MABGPIBFYJUWQY-GFCCVEGCSA-N 1 2 344.839 2.363 20 10 EECDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295113573 464710397 /nfs/dbraw/zinc/71/03/97/464710397.db2.gz MABGPIBFYJUWQY-GFCCVEGCSA-N 1 2 344.839 2.363 20 10 EECDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000274973206 464761078 /nfs/dbraw/zinc/76/10/78/464761078.db2.gz WNDDEJARIUHPLR-CQSZACIVSA-N 1 2 340.395 2.257 20 10 EECDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000274973206 464761085 /nfs/dbraw/zinc/76/10/85/464761085.db2.gz WNDDEJARIUHPLR-CQSZACIVSA-N 1 2 340.395 2.257 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3cnccn3)CC2)c1O ZINC000177020478 464908260 /nfs/dbraw/zinc/90/82/60/464908260.db2.gz OSAXUFQIXCULHJ-UHFFFAOYSA-N 1 2 346.818 2.360 20 10 EECDLO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)cc1 ZINC000773831966 577366827 /nfs/dbraw/zinc/36/68/27/577366827.db2.gz MATKOTUUGABWER-RDJZCZTQSA-N 1 2 348.443 2.069 20 10 EECDLO CCN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)cc1 ZINC000773831966 577366828 /nfs/dbraw/zinc/36/68/28/577366828.db2.gz MATKOTUUGABWER-RDJZCZTQSA-N 1 2 348.443 2.069 20 10 EECDLO COCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775648813 577441791 /nfs/dbraw/zinc/44/17/91/577441791.db2.gz YDKUEWOEXSKBLU-UHFFFAOYSA-N 1 2 326.824 2.020 20 10 EECDLO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776520213 577461333 /nfs/dbraw/zinc/46/13/33/577461333.db2.gz KBZSJZHNTPHDOD-OAHLLOKOSA-N 1 2 333.787 2.367 20 10 EECDLO CC(=O)c1cc(C[N@@H+](C)C2CCC2)c([O-])c(C[NH+]2CCOCC2)c1 ZINC000742169267 578128455 /nfs/dbraw/zinc/12/84/55/578128455.db2.gz CBBMYUJPVNILHN-UHFFFAOYSA-N 1 2 332.444 2.411 20 10 EECDLO CC(=O)c1cc(C[N@H+](C)C2CCC2)c([O-])c(C[NH+]2CCOCC2)c1 ZINC000742169267 578128456 /nfs/dbraw/zinc/12/84/56/578128456.db2.gz CBBMYUJPVNILHN-UHFFFAOYSA-N 1 2 332.444 2.411 20 10 EECDLO O=C(c1ccccc1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000042911388 674844817 /nfs/dbraw/zinc/84/48/17/674844817.db2.gz XOEJFBGHLJYLHR-UHFFFAOYSA-N 1 2 340.379 2.079 20 10 EECDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2cccc(Cl)c2O)[nH]n1 ZINC000890761239 675596646 /nfs/dbraw/zinc/59/66/46/675596646.db2.gz NRKFSQZLEPFSQV-CQSZACIVSA-N 1 2 334.807 2.465 20 10 EECDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2cccc(Cl)c2O)[nH]n1 ZINC000890761239 675596647 /nfs/dbraw/zinc/59/66/47/675596647.db2.gz NRKFSQZLEPFSQV-CQSZACIVSA-N 1 2 334.807 2.465 20 10 EECDLO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000895318504 684486369 /nfs/dbraw/zinc/48/63/69/684486369.db2.gz UFBGMFMKPKIMAR-WKFQBHICSA-N 1 2 332.169 2.335 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)c3cnccn3)CC2)c(OC)c1 ZINC000879463482 1201080997 /nfs/dbraw/zinc/08/09/97/1201080997.db2.gz YCRWDAOQCWEMAW-AWEZNQCLSA-N 1 2 328.416 2.377 20 10 EECDLO OC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CCCOC1 ZINC000883146530 1202020951 /nfs/dbraw/zinc/02/09/51/1202020951.db2.gz PKZPKFMJNAALLC-NOZJJQNGSA-N 1 2 348.212 2.171 20 10 EECDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)N1CCCC1 ZINC001233079905 1304354936 /nfs/dbraw/zinc/35/49/36/1304354936.db2.gz NCHQRMVMHZUDPE-UHFFFAOYSA-N 1 2 339.386 2.440 20 10 EECDLO CC(C)(O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233456029 1304470934 /nfs/dbraw/zinc/47/09/34/1304470934.db2.gz JAVXCEGZNJZLBT-UHFFFAOYSA-N 1 2 332.366 2.300 20 10 EECDLO O=C1Nc2ccccc2CN1C1C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487906 1304479927 /nfs/dbraw/zinc/47/99/27/1304479927.db2.gz WFPQKMPCVHWHRR-UHFFFAOYSA-N 1 2 341.367 2.035 20 10 EECDLO C[NH+]1CC(Oc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001233514753 1304492933 /nfs/dbraw/zinc/49/29/33/1304492933.db2.gz DSGWTMZSTRECIQ-UHFFFAOYSA-N 1 2 347.459 2.437 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3c(C)ncn3C)CC2)c(OC)c1 ZINC001235557037 1305280796 /nfs/dbraw/zinc/28/07/96/1305280796.db2.gz UUZGTSHGEQWDRM-UHFFFAOYSA-N 1 2 330.432 2.068 20 10 EECDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1Cl ZINC001236817085 1305687952 /nfs/dbraw/zinc/68/79/52/1305687952.db2.gz CMTSIEZDKLZECZ-WCQYABFASA-N 1 2 338.835 2.497 20 10 EECDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1Cl ZINC001236817085 1305687958 /nfs/dbraw/zinc/68/79/58/1305687958.db2.gz CMTSIEZDKLZECZ-WCQYABFASA-N 1 2 338.835 2.497 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)c(Br)c1 ZINC001237062202 1305783396 /nfs/dbraw/zinc/78/33/96/1305783396.db2.gz LFHNUBQQTPOABX-ZDUSSCGKSA-N 1 2 334.185 2.070 20 10 EECDLO COc1cc(O)c(C[N@H+]2CC[C@@](F)(CO)C2)c(Br)c1 ZINC001237062202 1305783404 /nfs/dbraw/zinc/78/34/04/1305783404.db2.gz LFHNUBQQTPOABX-ZDUSSCGKSA-N 1 2 334.185 2.070 20 10 EECDLO CC1=NC2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)C(=O)N1C ZINC001237623757 1306011192 /nfs/dbraw/zinc/01/11/92/1306011192.db2.gz USWZMHYKSUNWDO-UHFFFAOYSA-N 1 2 339.798 2.410 20 10 EECDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2nccc(Cl)n2)CC1 ZINC001142524705 1315650363 /nfs/dbraw/zinc/65/03/63/1315650363.db2.gz HOJBSCPEAAPAIL-UHFFFAOYSA-N 1 2 340.761 2.436 20 10 EECDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(O)c1 ZINC001203628087 1321927071 /nfs/dbraw/zinc/92/70/71/1321927071.db2.gz ZIFMYWZIURXLLG-UONOGXRCSA-N 1 2 340.395 2.448 20 10 EECDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(O)c1 ZINC001203628087 1321927074 /nfs/dbraw/zinc/92/70/74/1321927074.db2.gz ZIFMYWZIURXLLG-UONOGXRCSA-N 1 2 340.395 2.448 20 10 EECDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)cc2O)C[C@@H](F)C1 ZINC001204276352 1322101755 /nfs/dbraw/zinc/10/17/55/1322101755.db2.gz KVFZFRWEAQVOMQ-CYBMUJFWSA-N 1 2 340.395 2.489 20 10 EECDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)cc2O)C[C@@H](F)C1 ZINC001204276352 1322101758 /nfs/dbraw/zinc/10/17/58/1322101758.db2.gz KVFZFRWEAQVOMQ-CYBMUJFWSA-N 1 2 340.395 2.489 20 10 EECDLO CCn1cc(CN[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC001352750539 1338055912 /nfs/dbraw/zinc/05/59/12/1338055912.db2.gz OOKSTAVWITUYLZ-HNNXBMFYSA-N 1 2 349.866 2.411 20 10 EECDLO CCn1cc(CN[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC001352750539 1338055916 /nfs/dbraw/zinc/05/59/16/1338055916.db2.gz OOKSTAVWITUYLZ-HNNXBMFYSA-N 1 2 349.866 2.411 20 10 EECDLO CC[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056831 1350841805 /nfs/dbraw/zinc/84/18/05/1350841805.db2.gz WTORJFYHIMZJCT-KOHJWAIASA-N 1 2 331.420 2.164 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056578 1350841986 /nfs/dbraw/zinc/84/19/86/1350841986.db2.gz UYXIDJOTHDTHMA-ZOWXZIJZSA-N 1 2 331.420 2.164 20 10 EECDLO CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056930 1350842822 /nfs/dbraw/zinc/84/28/22/1350842822.db2.gz YAHUFBMTENAUHJ-CQDKDKBSSA-N 1 2 329.404 2.181 20 10 EECDLO CC(=O)N1CC[N@H+](Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862246966 1369526096 /nfs/dbraw/zinc/52/60/96/1369526096.db2.gz PVZGNLONNRFZNN-SNVBAGLBSA-N 1 2 327.222 2.207 20 10 EECDLO CC(=O)N1CC[N@@H+](Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862246966 1369526100 /nfs/dbraw/zinc/52/61/00/1369526100.db2.gz PVZGNLONNRFZNN-SNVBAGLBSA-N 1 2 327.222 2.207 20 10 EECDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829152805 1372270547 /nfs/dbraw/zinc/27/05/47/1372270547.db2.gz WNPDPMPOVOOOKU-FUHWJXTLSA-N 1 2 332.444 2.094 20 10 EECDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829152805 1372270551 /nfs/dbraw/zinc/27/05/51/1372270551.db2.gz WNPDPMPOVOOOKU-FUHWJXTLSA-N 1 2 332.444 2.094 20 10 EECDLO CCn1ncc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000838906377 1372872684 /nfs/dbraw/zinc/87/26/84/1372872684.db2.gz LQXZHHXPORPLBN-KBPBESRZSA-N 1 2 347.438 2.341 20 10 EECDLO CCNC(=O)C[N@H+](CC)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000893905460 780285821 /nfs/dbraw/zinc/28/58/21/780285821.db2.gz MRLXCXRARAXJLE-UHFFFAOYSA-N 1 2 349.406 2.062 20 10 EECDLO CCNC(=O)C[N@@H+](CC)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000893905460 780285829 /nfs/dbraw/zinc/28/58/29/780285829.db2.gz MRLXCXRARAXJLE-UHFFFAOYSA-N 1 2 349.406 2.062 20 10 EECDLO C[C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)n1cc[nH+]c1 ZINC000844341850 789013269 /nfs/dbraw/zinc/01/32/69/789013269.db2.gz SKUDFIBYUROCTN-CQSZACIVSA-N 1 2 346.406 2.126 20 10 EECDLO COC(=O)c1cnoc1C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402258 789068332 /nfs/dbraw/zinc/06/83/32/789068332.db2.gz QZTMSOLYSZRKDP-UHFFFAOYSA-N 1 2 333.388 2.038 20 10 EECDLO COC(=O)c1cnoc1C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402258 789068341 /nfs/dbraw/zinc/06/83/41/789068341.db2.gz QZTMSOLYSZRKDP-UHFFFAOYSA-N 1 2 333.388 2.038 20 10 EECDLO Cn1cc[nH+]c1CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001519824802 1119108491 /nfs/dbraw/zinc/10/84/91/1119108491.db2.gz CYXRTYFGTNZXGS-MRXNPFEDSA-N 1 2 343.427 2.266 20 10 EECDLO CC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)c1cccc(Cl)c1O ZINC000296254773 465131276 /nfs/dbraw/zinc/13/12/76/465131276.db2.gz DATOZQZIBXTDTF-GXFFZTMASA-N 1 2 334.869 2.414 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000066703963 462922329 /nfs/dbraw/zinc/92/23/29/462922329.db2.gz INVRPUUERCMEKI-JKSUJKDBSA-N 1 2 349.475 2.423 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCC[C@@H](CO)C3)CC2)cc1 ZINC000071855158 463441501 /nfs/dbraw/zinc/44/15/01/463441501.db2.gz KDASVBWDGNSGQU-OAHLLOKOSA-N 1 2 347.459 2.078 20 10 EECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000277424720 463915965 /nfs/dbraw/zinc/91/59/65/463915965.db2.gz BGDZXCLYPIRORJ-UHFFFAOYSA-N 1 2 326.246 2.307 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1O ZINC000187780696 464161809 /nfs/dbraw/zinc/16/18/09/464161809.db2.gz VJJNHEXSHPEMPN-GMSGAONNSA-N 1 2 338.276 2.484 20 10 EECDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188788264 464370056 /nfs/dbraw/zinc/37/00/56/464370056.db2.gz AYKBPUCGLHSVKT-ZWKOTPCHSA-N 1 2 332.444 2.175 20 10 EECDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188788264 464370062 /nfs/dbraw/zinc/37/00/62/464370062.db2.gz AYKBPUCGLHSVKT-ZWKOTPCHSA-N 1 2 332.444 2.175 20 10 EECDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000175051365 464485626 /nfs/dbraw/zinc/48/56/26/464485626.db2.gz LKUKPVLIZCTLAC-CQSZACIVSA-N 1 2 346.431 2.246 20 10 EECDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000175051365 464485634 /nfs/dbraw/zinc/48/56/34/464485634.db2.gz LKUKPVLIZCTLAC-CQSZACIVSA-N 1 2 346.431 2.246 20 10 EECDLO COCCOC1(C[NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC000294800951 464609455 /nfs/dbraw/zinc/60/94/55/464609455.db2.gz MYFNZZSODXMTEJ-UHFFFAOYSA-N 1 2 329.824 2.347 20 10 EECDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1c(F)ccc(O)c1O ZINC000276630651 465009093 /nfs/dbraw/zinc/00/90/93/465009093.db2.gz SMPCCNDOPNTGOX-UHFFFAOYSA-N 1 2 336.388 2.087 20 10 EECDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1c(F)ccc(O)c1O ZINC000276630651 465009098 /nfs/dbraw/zinc/00/90/98/465009098.db2.gz SMPCCNDOPNTGOX-UHFFFAOYSA-N 1 2 336.388 2.087 20 10 EECDLO COc1cc(Cl)cc(C[N@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000184700778 465019608 /nfs/dbraw/zinc/01/96/08/465019608.db2.gz BYZCFFSKSXWWBT-UHFFFAOYSA-N 1 2 333.837 2.063 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1O ZINC000184700778 465019611 /nfs/dbraw/zinc/01/96/11/465019611.db2.gz BYZCFFSKSXWWBT-UHFFFAOYSA-N 1 2 333.837 2.063 20 10 EECDLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000365531186 466850655 /nfs/dbraw/zinc/85/06/55/466850655.db2.gz YLYOLLPXBOHUEJ-ZDUSSCGKSA-N 1 2 344.864 2.046 20 10 EECDLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000365531186 466850657 /nfs/dbraw/zinc/85/06/57/466850657.db2.gz YLYOLLPXBOHUEJ-ZDUSSCGKSA-N 1 2 344.864 2.046 20 10 EECDLO CCC(CC)NC(=O)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000774601862 577406032 /nfs/dbraw/zinc/40/60/32/577406032.db2.gz NAOZNPJWAXVXSH-UHFFFAOYSA-N 1 2 347.459 2.085 20 10 EECDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000775201173 577432605 /nfs/dbraw/zinc/43/26/05/577432605.db2.gz CHAHHVLSQBIMLA-RYUDHWBXSA-N 1 2 347.814 2.031 20 10 EECDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000775201173 577432606 /nfs/dbraw/zinc/43/26/06/577432606.db2.gz CHAHHVLSQBIMLA-RYUDHWBXSA-N 1 2 347.814 2.031 20 10 EECDLO CN(Cc1[nH+]ccn1C)C(=O)NCCCSc1nccs1 ZINC000775444131 577437420 /nfs/dbraw/zinc/43/74/20/577437420.db2.gz WIDWDWUXHGPIJI-UHFFFAOYSA-N 1 2 325.463 2.200 20 10 EECDLO C[N@H+](Cc1nnc2n1CCC2)Cc1cccc(Br)c1O ZINC000768223580 577552245 /nfs/dbraw/zinc/55/22/45/577552245.db2.gz IIEYJGDKZAEFEV-UHFFFAOYSA-N 1 2 337.221 2.324 20 10 EECDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1cccc(Br)c1O ZINC000768223580 577552246 /nfs/dbraw/zinc/55/22/46/577552246.db2.gz IIEYJGDKZAEFEV-UHFFFAOYSA-N 1 2 337.221 2.324 20 10 EECDLO CCNC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768914223 577565637 /nfs/dbraw/zinc/56/56/37/577565637.db2.gz DADJZNMBFFCSAY-UHFFFAOYSA-N 1 2 334.420 2.153 20 10 EECDLO CCNC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768914223 577565638 /nfs/dbraw/zinc/56/56/38/577565638.db2.gz DADJZNMBFFCSAY-UHFFFAOYSA-N 1 2 334.420 2.153 20 10 EECDLO Cc1ccc(O)c(C[N@@H+]2C[C@]3(F)CN(CC(F)F)C(=O)[C@]3(F)C2)c1 ZINC001272623061 1190936136 /nfs/dbraw/zinc/93/61/36/1190936136.db2.gz WBXBYCSRGYEJOS-JKSUJKDBSA-N 1 2 346.324 2.040 20 10 EECDLO Cc1ccc(O)c(C[N@H+]2C[C@]3(F)CN(CC(F)F)C(=O)[C@]3(F)C2)c1 ZINC001272623061 1190936139 /nfs/dbraw/zinc/93/61/39/1190936139.db2.gz WBXBYCSRGYEJOS-JKSUJKDBSA-N 1 2 346.324 2.040 20 10 EECDLO O=C1COCC2(C[NH+](Cc3c(O)cccc3F)C2)N1CC1CCCC1 ZINC001273265135 1197885323 /nfs/dbraw/zinc/88/53/23/1197885323.db2.gz CRDANRKKHXZEGJ-UHFFFAOYSA-N 1 2 348.418 2.135 20 10 EECDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+]2Cc1c(O)cccc1F ZINC001273266323 1197890523 /nfs/dbraw/zinc/89/05/23/1197890523.db2.gz WUORTQVWWMQBFG-INIZCTEOSA-N 1 2 328.334 2.363 20 10 EECDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+]2Cc1c(O)cccc1F ZINC001273266323 1197890526 /nfs/dbraw/zinc/89/05/26/1197890526.db2.gz WUORTQVWWMQBFG-INIZCTEOSA-N 1 2 328.334 2.363 20 10 EECDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@@H](C(N)=O)C1 ZINC000825567262 1198248007 /nfs/dbraw/zinc/24/80/07/1198248007.db2.gz GXOIVXQYBXUPPA-JOYOIKCWSA-N 1 2 327.222 2.241 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@@H](C(N)=O)C1 ZINC000825567262 1198248012 /nfs/dbraw/zinc/24/80/12/1198248012.db2.gz GXOIVXQYBXUPPA-JOYOIKCWSA-N 1 2 327.222 2.241 20 10 EECDLO COc1cccc(O)c1C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000877775767 1200091140 /nfs/dbraw/zinc/09/11/40/1200091140.db2.gz PHQOCWYOSDIIAC-AWEZNQCLSA-N 1 2 332.322 2.044 20 10 EECDLO COc1cccc(O)c1C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000877775767 1200091147 /nfs/dbraw/zinc/09/11/47/1200091147.db2.gz PHQOCWYOSDIIAC-AWEZNQCLSA-N 1 2 332.322 2.044 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccnc(OC)c3)CC2)c(OC)c1 ZINC000879461307 1201079507 /nfs/dbraw/zinc/07/95/07/1201079507.db2.gz CVDAHFYDOLFLCQ-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC2)c(OC)c1 ZINC000879461928 1201079711 /nfs/dbraw/zinc/07/97/11/1201079711.db2.gz JNZDZDASWXZCDY-OAHLLOKOSA-N 1 2 349.475 2.081 20 10 EECDLO OC[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CCOC1 ZINC000883109122 1202013969 /nfs/dbraw/zinc/01/39/69/1202013969.db2.gz GIPAFJHAYLXGAI-MWLCHTKSSA-N 1 2 348.212 2.028 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCCC(C)C)CC2)cc1 ZINC000042290062 1208304549 /nfs/dbraw/zinc/30/45/49/1208304549.db2.gz DIRMETOUAIXVOR-INIZCTEOSA-N 1 2 333.476 2.368 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCN(C=O)CC2)c1 ZINC000827871901 1248876787 /nfs/dbraw/zinc/87/67/87/1248876787.db2.gz LRBBVBAQYIDPGD-UHFFFAOYSA-N 1 2 327.222 2.127 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCN(C=O)CC2)c1 ZINC000827871901 1248876797 /nfs/dbraw/zinc/87/67/97/1248876797.db2.gz LRBBVBAQYIDPGD-UHFFFAOYSA-N 1 2 327.222 2.127 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C\Cl)cc1 ZINC001039062768 1230274482 /nfs/dbraw/zinc/27/44/82/1230274482.db2.gz ZOUUWAFLBAPZFZ-QYNNZRLBSA-N 1 2 335.795 2.406 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@H+]2C/C=C\Cl)cc1 ZINC001039062768 1230274483 /nfs/dbraw/zinc/27/44/83/1230274483.db2.gz ZOUUWAFLBAPZFZ-QYNNZRLBSA-N 1 2 335.795 2.406 20 10 EECDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235067143 1305103621 /nfs/dbraw/zinc/10/36/21/1305103621.db2.gz QXNLBKHSBQNTIL-GFCCVEGCSA-N 1 2 345.212 2.346 20 10 EECDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235067143 1305103624 /nfs/dbraw/zinc/10/36/24/1305103624.db2.gz QXNLBKHSBQNTIL-GFCCVEGCSA-N 1 2 345.212 2.346 20 10 EECDLO COC1(CO)CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000402772083 1296995080 /nfs/dbraw/zinc/99/50/80/1296995080.db2.gz JPYAAPPXINIDBP-UHFFFAOYSA-N 1 2 327.808 2.222 20 10 EECDLO COc1cc(O)c(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c(Cl)c1 ZINC001276805451 1298041705 /nfs/dbraw/zinc/04/17/05/1298041705.db2.gz FFMVGUFTNQGSRZ-UHFFFAOYSA-N 1 2 348.834 2.238 20 10 EECDLO COc1cc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)cc1O ZINC001231637144 1303873638 /nfs/dbraw/zinc/87/36/38/1303873638.db2.gz GBRNWIDTZDYQTI-MRXNPFEDSA-N 1 2 345.395 2.386 20 10 EECDLO COc1cc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)cc1O ZINC001231637144 1303873641 /nfs/dbraw/zinc/87/36/41/1303873641.db2.gz GBRNWIDTZDYQTI-MRXNPFEDSA-N 1 2 345.395 2.386 20 10 EECDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231913081 1303945083 /nfs/dbraw/zinc/94/50/83/1303945083.db2.gz FTVVPQHPUJHNON-LBPRGKRZSA-N 1 2 335.791 2.498 20 10 EECDLO COc1cc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)ccn1 ZINC001232265057 1304057813 /nfs/dbraw/zinc/05/78/13/1304057813.db2.gz OCLVVLYQQUAJSG-UHFFFAOYSA-N 1 2 349.818 2.477 20 10 EECDLO Oc1cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc(O)c1O ZINC001233015152 1304328381 /nfs/dbraw/zinc/32/83/81/1304328381.db2.gz DJXWAUGOGDYEQJ-CQSZACIVSA-N 1 2 328.359 2.109 20 10 EECDLO C[C@@](O)(C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1)C(F)(F)F ZINC001233015570 1304328704 /nfs/dbraw/zinc/32/87/04/1304328704.db2.gz SQYVDUZZQHRBMI-CQSZACIVSA-N 1 2 335.322 2.329 20 10 EECDLO O=C1c2ccccc2CN1[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016358 1304329300 /nfs/dbraw/zinc/32/93/00/1304329300.db2.gz UGJPFJNRRDGCFW-AWEZNQCLSA-N 1 2 340.379 2.034 20 10 EECDLO O=C1c2ccccc2CN1[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016358 1304329303 /nfs/dbraw/zinc/32/93/03/1304329303.db2.gz UGJPFJNRRDGCFW-AWEZNQCLSA-N 1 2 340.379 2.034 20 10 EECDLO C[N@H+](CCN1CCOCC1)Cc1c(O)cc(Br)cc1F ZINC001233027252 1304333894 /nfs/dbraw/zinc/33/38/94/1304333894.db2.gz OQDXWPBSZVRNPL-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO C[N@@H+](CCN1CCOCC1)Cc1c(O)cc(Br)cc1F ZINC001233027252 1304333902 /nfs/dbraw/zinc/33/39/02/1304333902.db2.gz OQDXWPBSZVRNPL-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO COC(=O)c1cccc2c1C[N@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233487244 1304478475 /nfs/dbraw/zinc/47/84/75/1304478475.db2.gz VZIBNYFCUQGUJK-UHFFFAOYSA-N 1 2 329.352 2.148 20 10 EECDLO COC(=O)c1cccc2c1C[N@@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233487244 1304478480 /nfs/dbraw/zinc/47/84/80/1304478480.db2.gz VZIBNYFCUQGUJK-UHFFFAOYSA-N 1 2 329.352 2.148 20 10 EECDLO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235294086 1305180629 /nfs/dbraw/zinc/18/06/29/1305180629.db2.gz MVDKWOMHGMCILL-AWEZNQCLSA-N 1 2 343.196 2.006 20 10 EECDLO O=C1NCC[C@@]12CC[N@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235294086 1305180634 /nfs/dbraw/zinc/18/06/34/1305180634.db2.gz MVDKWOMHGMCILL-AWEZNQCLSA-N 1 2 343.196 2.006 20 10 EECDLO COCC[NH+]1CCN(Cc2cc(F)cc(Br)c2O)CC1 ZINC001235295202 1305180671 /nfs/dbraw/zinc/18/06/71/1305180671.db2.gz UBVOMDILNBILQF-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c(Br)c1 ZINC001237064136 1305784288 /nfs/dbraw/zinc/78/42/88/1305784288.db2.gz XDAOUGOBYRQEIB-UWVGGRQHSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c(Br)c1 ZINC001237064136 1305784296 /nfs/dbraw/zinc/78/42/96/1305784296.db2.gz XDAOUGOBYRQEIB-UWVGGRQHSA-N 1 2 348.212 2.316 20 10 EECDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138360189 1314605844 /nfs/dbraw/zinc/60/58/44/1314605844.db2.gz OUIBSEGYTUJQJN-KRWDZBQOSA-N 1 2 332.444 2.223 20 10 EECDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138360189 1314605847 /nfs/dbraw/zinc/60/58/47/1314605847.db2.gz OUIBSEGYTUJQJN-KRWDZBQOSA-N 1 2 332.444 2.223 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001139125030 1314707232 /nfs/dbraw/zinc/70/72/32/1314707232.db2.gz JFGMAKPBMMOZBH-OCCSQVGLSA-N 1 2 337.322 2.273 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001139125030 1314707234 /nfs/dbraw/zinc/70/72/34/1314707234.db2.gz JFGMAKPBMMOZBH-OCCSQVGLSA-N 1 2 337.322 2.273 20 10 EECDLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140345628 1314874870 /nfs/dbraw/zinc/87/48/70/1314874870.db2.gz WZPOPOQMDHDBRM-QGZVFWFLSA-N 1 2 338.835 2.259 20 10 EECDLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140345628 1314874875 /nfs/dbraw/zinc/87/48/75/1314874875.db2.gz WZPOPOQMDHDBRM-QGZVFWFLSA-N 1 2 338.835 2.259 20 10 EECDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660090 1314923557 /nfs/dbraw/zinc/92/35/57/1314923557.db2.gz FOEOFXLTRORPSB-GOSISDBHSA-N 1 2 336.407 2.190 20 10 EECDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660090 1314923560 /nfs/dbraw/zinc/92/35/60/1314923560.db2.gz FOEOFXLTRORPSB-GOSISDBHSA-N 1 2 336.407 2.190 20 10 EECDLO CN1CCOc2cc(CN3CC[NH+](Cc4ccccn4)CC3)ccc21 ZINC001141142736 1315049154 /nfs/dbraw/zinc/04/91/54/1315049154.db2.gz ZDKYXQGYIIIVIZ-UHFFFAOYSA-N 1 2 338.455 2.228 20 10 EECDLO CN1CCOc2cc(C[NH+]3CCN(Cc4ccco4)CC3)ccc21 ZINC001141143132 1315049612 /nfs/dbraw/zinc/04/96/12/1315049612.db2.gz OQYIARZRGGAUEQ-UHFFFAOYSA-N 1 2 327.428 2.426 20 10 EECDLO CN1CCOc2cc(CN3CC[NH+](Cc4ccco4)CC3)ccc21 ZINC001141143132 1315049617 /nfs/dbraw/zinc/04/96/17/1315049617.db2.gz OQYIARZRGGAUEQ-UHFFFAOYSA-N 1 2 327.428 2.426 20 10 EECDLO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001249215308 1317023661 /nfs/dbraw/zinc/02/36/61/1317023661.db2.gz ZYEFZXVZRDGAKX-KRWDZBQOSA-N 1 2 342.395 2.076 20 10 EECDLO COC(=O)Cc1ccc(C[N@H+]2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001249215308 1317023669 /nfs/dbraw/zinc/02/36/69/1317023669.db2.gz ZYEFZXVZRDGAKX-KRWDZBQOSA-N 1 2 342.395 2.076 20 10 EECDLO Oc1ccc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cc1O ZINC001203877722 1321980476 /nfs/dbraw/zinc/98/04/76/1321980476.db2.gz HTLUGNUFNBBVRV-MRXNPFEDSA-N 1 2 343.427 2.353 20 10 EECDLO Oc1ccc(C[N@@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cc1O ZINC001203877722 1321980478 /nfs/dbraw/zinc/98/04/78/1321980478.db2.gz HTLUGNUFNBBVRV-MRXNPFEDSA-N 1 2 343.427 2.353 20 10 EECDLO CC[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466699 1349342031 /nfs/dbraw/zinc/34/20/31/1349342031.db2.gz MABPXDWBVZEMBV-SWLSCSKDSA-N 1 2 344.463 2.486 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603657361 1350735627 /nfs/dbraw/zinc/73/56/27/1350735627.db2.gz LZYDSURNJKGPHT-VXGBXAGGSA-N 1 2 329.404 2.325 20 10 EECDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829152806 1372270739 /nfs/dbraw/zinc/27/07/39/1372270739.db2.gz WNPDPMPOVOOOKU-SJLPKXTDSA-N 1 2 332.444 2.094 20 10 EECDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829152806 1372270746 /nfs/dbraw/zinc/27/07/46/1372270746.db2.gz WNPDPMPOVOOOKU-SJLPKXTDSA-N 1 2 332.444 2.094 20 10 EECDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000894046714 780460268 /nfs/dbraw/zinc/46/02/68/780460268.db2.gz PSUKYYQXDRFNGT-MWLCHTKSSA-N 1 2 348.262 2.068 20 10 EECDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894096599 780533081 /nfs/dbraw/zinc/53/30/81/780533081.db2.gz WKODEBSXEVMCDC-CQSZACIVSA-N 1 2 325.405 2.108 20 10 EECDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894096599 780533088 /nfs/dbraw/zinc/53/30/88/780533088.db2.gz WKODEBSXEVMCDC-CQSZACIVSA-N 1 2 325.405 2.108 20 10 EECDLO CN1C(=O)NCC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC000822530333 787236987 /nfs/dbraw/zinc/23/69/87/787236987.db2.gz XZDSBMKGBRFOPH-UHFFFAOYSA-N 1 2 327.787 2.174 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccc(CO)cc1)Cc1ccccc1O ZINC000823576439 787803692 /nfs/dbraw/zinc/80/36/92/787803692.db2.gz NXJZLXWYDXRQMX-UHFFFAOYSA-N 1 2 329.396 2.450 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccc(CO)cc1)Cc1ccccc1O ZINC000823576439 787803704 /nfs/dbraw/zinc/80/37/04/787803704.db2.gz NXJZLXWYDXRQMX-UHFFFAOYSA-N 1 2 329.396 2.450 20 10 EECDLO CC[N@@H+]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1 ZINC000824126497 788051245 /nfs/dbraw/zinc/05/12/45/788051245.db2.gz XKWYNOGXGXOAQF-UHFFFAOYSA-N 1 2 337.376 2.324 20 10 EECDLO CC[N@H+]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1 ZINC000824126497 788051249 /nfs/dbraw/zinc/05/12/49/788051249.db2.gz XKWYNOGXGXOAQF-UHFFFAOYSA-N 1 2 337.376 2.324 20 10 EECDLO COc1c(O)c(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000825025251 788402044 /nfs/dbraw/zinc/40/20/44/788402044.db2.gz ZVIKMOYBKYKEMD-QHCPKHFHSA-N 1 2 342.417 2.042 20 10 EECDLO COc1c(O)c(C[N@H+]2CC[S@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000825025251 788402045 /nfs/dbraw/zinc/40/20/45/788402045.db2.gz ZVIKMOYBKYKEMD-QHCPKHFHSA-N 1 2 342.417 2.042 20 10 EECDLO Nc1cc[nH+]c(-c2cc(NC(=O)c3cc(O)c(O)c(O)c3)ccn2)c1 ZINC001148581171 792567053 /nfs/dbraw/zinc/56/70/53/792567053.db2.gz NQUOKOUTCRSZKY-UHFFFAOYSA-N 1 2 338.323 2.095 20 10 EECDLO Cn1nccc1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715779481 795501344 /nfs/dbraw/zinc/50/13/44/795501344.db2.gz PTDYNFMXINXJJO-UHFFFAOYSA-N 1 2 328.185 2.360 20 10 EECDLO CN(C)c1ccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000366740135 465907788 /nfs/dbraw/zinc/90/77/88/465907788.db2.gz PEPGBYYTPQUIFF-AWEZNQCLSA-N 1 2 345.422 2.324 20 10 EECDLO C[C@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCN(c2ccccc2)CC1 ZINC000731870215 577129014 /nfs/dbraw/zinc/12/90/14/577129014.db2.gz VDKPSQXHVTURGR-CQSZACIVSA-N 1 2 345.468 2.394 20 10 EECDLO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000776871247 577469085 /nfs/dbraw/zinc/46/90/85/577469085.db2.gz ZGXVAPZRMCQKPK-NZVBXONLSA-N 1 2 331.359 2.142 20 10 EECDLO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000777218993 577475144 /nfs/dbraw/zinc/47/51/44/577475144.db2.gz GSMRSUIOCJJODB-KBPBESRZSA-N 1 2 333.787 2.095 20 10 EECDLO C[N@H+](Cc1nccn1C(F)F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441283 577555679 /nfs/dbraw/zinc/55/56/79/577555679.db2.gz IXAARIGNIZQYAQ-GFCCVEGCSA-N 1 2 325.315 2.042 20 10 EECDLO C[N@@H+](Cc1nccn1C(F)F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441283 577555680 /nfs/dbraw/zinc/55/56/80/577555680.db2.gz IXAARIGNIZQYAQ-GFCCVEGCSA-N 1 2 325.315 2.042 20 10 EECDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769467072 577578555 /nfs/dbraw/zinc/57/85/55/577578555.db2.gz SEUXIEPNIYATRI-CSTKLKAISA-N 1 2 340.464 2.004 20 10 EECDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769467072 577578556 /nfs/dbraw/zinc/57/85/56/577578556.db2.gz SEUXIEPNIYATRI-CSTKLKAISA-N 1 2 340.464 2.004 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)[C@@H](C)N(C4CC4)C3=O)CC2)cc1 ZINC000761223067 577679580 /nfs/dbraw/zinc/67/95/80/577679580.db2.gz NRLUSEFYBXOVHI-CYBMUJFWSA-N 1 2 343.427 2.479 20 10 EECDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc(F)cc(F)c1O ZINC000756490546 577844941 /nfs/dbraw/zinc/84/49/41/577844941.db2.gz PGWLKJBOJLSHIT-SNVBAGLBSA-N 1 2 331.326 2.497 20 10 EECDLO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000750599994 577995812 /nfs/dbraw/zinc/99/58/12/577995812.db2.gz YNPKEDZAPWGBHJ-UHFFFAOYSA-N 1 2 348.410 2.193 20 10 EECDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1COCCO1 ZINC000895258033 684397262 /nfs/dbraw/zinc/39/72/62/684397262.db2.gz ANBOTQQRWIDMSO-LLVKDONJSA-N 1 2 334.185 2.141 20 10 EECDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1COCCO1 ZINC000895258033 684397268 /nfs/dbraw/zinc/39/72/68/684397268.db2.gz ANBOTQQRWIDMSO-LLVKDONJSA-N 1 2 334.185 2.141 20 10 EECDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001273106747 1194390189 /nfs/dbraw/zinc/39/01/89/1194390189.db2.gz KPSUYKBRXADUPG-GFCCVEGCSA-N 1 2 338.835 2.257 20 10 EECDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)no1 ZINC000810218191 1199356124 /nfs/dbraw/zinc/35/61/24/1199356124.db2.gz PMVXUORXUHZHOC-CQSZACIVSA-N 1 2 349.456 2.069 20 10 EECDLO CCN(CC)c1ccc(CN(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000826019600 1200244050 /nfs/dbraw/zinc/24/40/50/1200244050.db2.gz HXWKLGBZJJTVMQ-UHFFFAOYSA-N 1 2 341.459 2.174 20 10 EECDLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1-c1ccc(F)cn1 ZINC000827377684 1247971069 /nfs/dbraw/zinc/97/10/69/1247971069.db2.gz BVCQKISBJAXEOB-UHFFFAOYSA-N 1 2 331.391 2.268 20 10 EECDLO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850558086 1277267112 /nfs/dbraw/zinc/26/71/12/1277267112.db2.gz SNVCJKYRHRNSFZ-SWLSCSKDSA-N 1 2 335.404 2.204 20 10 EECDLO COC(=O)c1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001231427676 1303793872 /nfs/dbraw/zinc/79/38/72/1303793872.db2.gz MNWGOHQHCKUCDC-UHFFFAOYSA-N 1 2 328.368 2.228 20 10 EECDLO COC(=O)c1cccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001231427676 1303793875 /nfs/dbraw/zinc/79/38/75/1303793875.db2.gz MNWGOHQHCKUCDC-UHFFFAOYSA-N 1 2 328.368 2.228 20 10 EECDLO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@H]1F ZINC001232193971 1304033772 /nfs/dbraw/zinc/03/37/72/1304033772.db2.gz DBFUBUGOWGYJTA-DLBZAZTESA-N 1 2 342.842 2.471 20 10 EECDLO C[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@H]1F ZINC001232193971 1304033777 /nfs/dbraw/zinc/03/37/77/1304033777.db2.gz DBFUBUGOWGYJTA-DLBZAZTESA-N 1 2 342.842 2.471 20 10 EECDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233418794 1304461141 /nfs/dbraw/zinc/46/11/41/1304461141.db2.gz WURNOBCYOHEAKC-UHFFFAOYSA-N 1 2 341.289 2.171 20 10 EECDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233418794 1304461148 /nfs/dbraw/zinc/46/11/48/1304461148.db2.gz WURNOBCYOHEAKC-UHFFFAOYSA-N 1 2 341.289 2.171 20 10 EECDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233487656 1304479748 /nfs/dbraw/zinc/47/97/48/1304479748.db2.gz NDQWGRXRFXVKBI-CYBMUJFWSA-N 1 2 342.395 2.150 20 10 EECDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233487656 1304479751 /nfs/dbraw/zinc/47/97/51/1304479751.db2.gz NDQWGRXRFXVKBI-CYBMUJFWSA-N 1 2 342.395 2.150 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001139126829 1314707373 /nfs/dbraw/zinc/70/73/73/1314707373.db2.gz RROUUIWVLZOQIC-GOSISDBHSA-N 1 2 335.375 2.494 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001139126829 1314707380 /nfs/dbraw/zinc/70/73/80/1314707380.db2.gz RROUUIWVLZOQIC-GOSISDBHSA-N 1 2 335.375 2.494 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140465517 1314892666 /nfs/dbraw/zinc/89/26/66/1314892666.db2.gz OYXHFTDUDZDVLA-CYBMUJFWSA-N 1 2 325.792 2.390 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140465517 1314892670 /nfs/dbraw/zinc/89/26/70/1314892670.db2.gz OYXHFTDUDZDVLA-CYBMUJFWSA-N 1 2 325.792 2.390 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000839920475 1315259719 /nfs/dbraw/zinc/25/97/19/1315259719.db2.gz AMJZYXXOWPNIDL-HNNXBMFYSA-N 1 2 328.460 2.475 20 10 EECDLO O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001332189948 1335759112 /nfs/dbraw/zinc/75/91/12/1335759112.db2.gz PAIQGHVWDVHESA-KRWDZBQOSA-N 1 2 341.411 2.164 20 10 EECDLO O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001332189948 1335759113 /nfs/dbraw/zinc/75/91/13/1335759113.db2.gz PAIQGHVWDVHESA-KRWDZBQOSA-N 1 2 341.411 2.164 20 10 EECDLO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589951268 1349075085 /nfs/dbraw/zinc/07/50/85/1349075085.db2.gz AAQHKGSWMCLSAR-CEFQPYBMSA-N 1 2 341.415 2.181 20 10 EECDLO Oc1cc(Cl)ccc1C[N@@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001140463299 1372580602 /nfs/dbraw/zinc/58/06/02/1372580602.db2.gz ZHSSUCSMUXFTLE-GFCCVEGCSA-N 1 2 325.714 2.171 20 10 EECDLO Oc1cc(Cl)ccc1C[N@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001140463299 1372580606 /nfs/dbraw/zinc/58/06/06/1372580606.db2.gz ZHSSUCSMUXFTLE-GFCCVEGCSA-N 1 2 325.714 2.171 20 10 EECDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000894054259 780470874 /nfs/dbraw/zinc/47/08/74/780470874.db2.gz KIXOJYOJFCGBMI-UONOGXRCSA-N 1 2 333.400 2.458 20 10 EECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000894054259 780470880 /nfs/dbraw/zinc/47/08/80/780470880.db2.gz KIXOJYOJFCGBMI-UONOGXRCSA-N 1 2 333.400 2.458 20 10 EECDLO COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)cc1 ZINC000844602542 789253767 /nfs/dbraw/zinc/25/37/67/789253767.db2.gz LKTMUSITGTZFEG-HOTGVXAUSA-N 1 2 342.443 2.486 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000844857292 789404667 /nfs/dbraw/zinc/40/46/67/789404667.db2.gz SCKAZAWQDMUDAU-OAHLLOKOSA-N 1 2 330.432 2.438 20 10 EECDLO CNC(=O)C1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299240 789516464 /nfs/dbraw/zinc/51/64/64/789516464.db2.gz SQQDUDURGLSCCU-UHFFFAOYSA-N 1 2 345.212 2.252 20 10 EECDLO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000789215007 807891251 /nfs/dbraw/zinc/89/12/51/807891251.db2.gz YZESSFZFWAPFSU-JKSUJKDBSA-N 1 2 348.491 2.176 20 10 EECDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808213578 812519451 /nfs/dbraw/zinc/51/94/51/812519451.db2.gz RVORTCIVBSPEBZ-AWEZNQCLSA-N 1 2 337.416 2.159 20 10 EECDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808213578 812519459 /nfs/dbraw/zinc/51/94/59/812519459.db2.gz RVORTCIVBSPEBZ-AWEZNQCLSA-N 1 2 337.416 2.159 20 10 EECDLO O=C1C[N@H+](Cc2cccc(N[C@H]3CCc4cccc(O)c43)c2)CCN1 ZINC000297471926 465258633 /nfs/dbraw/zinc/25/86/33/465258633.db2.gz YQKNBHNJQTVMHL-KRWDZBQOSA-N 1 2 337.423 2.423 20 10 EECDLO O=C1C[N@@H+](Cc2cccc(N[C@H]3CCc4cccc(O)c43)c2)CCN1 ZINC000297471926 465258640 /nfs/dbraw/zinc/25/86/40/465258640.db2.gz YQKNBHNJQTVMHL-KRWDZBQOSA-N 1 2 337.423 2.423 20 10 EECDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 ZINC000279200512 464061100 /nfs/dbraw/zinc/06/11/00/464061100.db2.gz ARGAUGMQSZJZGZ-KXBFYZLASA-N 1 2 345.487 2.210 20 10 EECDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 ZINC000279200512 464061108 /nfs/dbraw/zinc/06/11/08/464061108.db2.gz ARGAUGMQSZJZGZ-KXBFYZLASA-N 1 2 345.487 2.210 20 10 EECDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(O)c1O ZINC000186963177 464084692 /nfs/dbraw/zinc/08/46/92/464084692.db2.gz RZWWVHMKMUOJOY-UHFFFAOYSA-N 1 2 327.384 2.413 20 10 EECDLO CN(C)c1ccc(C[N@H+](Cc2nnc3n2CCOC3)C2CC2)cc1 ZINC000281334252 464417404 /nfs/dbraw/zinc/41/74/04/464417404.db2.gz QCTIQRVWUQVTDX-UHFFFAOYSA-N 1 2 327.432 2.039 20 10 EECDLO CN(C)c1ccc(C[N@@H+](Cc2nnc3n2CCOC3)C2CC2)cc1 ZINC000281334252 464417410 /nfs/dbraw/zinc/41/74/10/464417410.db2.gz QCTIQRVWUQVTDX-UHFFFAOYSA-N 1 2 327.432 2.039 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC)cc1F ZINC000362054377 466518063 /nfs/dbraw/zinc/51/80/63/466518063.db2.gz TUDGMFBVTOFYFJ-KRWDZBQOSA-N 1 2 337.439 2.009 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC)cc1F ZINC000362054377 466518072 /nfs/dbraw/zinc/51/80/72/466518072.db2.gz TUDGMFBVTOFYFJ-KRWDZBQOSA-N 1 2 337.439 2.009 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)cc1F ZINC000374305848 467038465 /nfs/dbraw/zinc/03/84/65/467038465.db2.gz AEUQLLZYURVDKA-GOSISDBHSA-N 1 2 327.403 2.476 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)cc1F ZINC000374305848 467038473 /nfs/dbraw/zinc/03/84/73/467038473.db2.gz AEUQLLZYURVDKA-GOSISDBHSA-N 1 2 327.403 2.476 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)c3nc(C)cc(=O)[nH]3)CC2)cc1 ZINC000192527085 534016762 /nfs/dbraw/zinc/01/67/62/534016762.db2.gz SFHHISXPCMRWKI-CQSZACIVSA-N 1 2 328.416 2.382 20 10 EECDLO CCN(CC)c1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1F ZINC000370113264 528307131 /nfs/dbraw/zinc/30/71/31/528307131.db2.gz QKUFPDDVPNRUEV-UHFFFAOYSA-N 1 2 333.411 2.083 20 10 EECDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766934912 577527269 /nfs/dbraw/zinc/52/72/69/577527269.db2.gz PTWUHCRHCSXHAN-DOTOQJQBSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766934912 577527270 /nfs/dbraw/zinc/52/72/70/577527270.db2.gz PTWUHCRHCSXHAN-DOTOQJQBSA-N 1 2 333.476 2.210 20 10 EECDLO CC[N@H+](CC(=O)OC)Cc1cc(Br)cc(OC)c1O ZINC000769315376 577574887 /nfs/dbraw/zinc/57/48/87/577574887.db2.gz ANNCMIGBFAAQBO-UHFFFAOYSA-N 1 2 332.194 2.158 20 10 EECDLO CC[N@@H+](CC(=O)OC)Cc1cc(Br)cc(OC)c1O ZINC000769315376 577574888 /nfs/dbraw/zinc/57/48/88/577574888.db2.gz ANNCMIGBFAAQBO-UHFFFAOYSA-N 1 2 332.194 2.158 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)CC[S@@]1=O ZINC000763493858 577722013 /nfs/dbraw/zinc/72/20/13/577722013.db2.gz SFFORFITQOLGTA-MGNBDDOMSA-N 1 2 332.263 2.498 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)CC[S@@]1=O ZINC000763493858 577722014 /nfs/dbraw/zinc/72/20/14/577722014.db2.gz SFFORFITQOLGTA-MGNBDDOMSA-N 1 2 332.263 2.498 20 10 EECDLO COc1ccc(N2CCCN(c3cc(N(C)C)[nH+]cn3)CC2)cc1 ZINC000891933300 677715991 /nfs/dbraw/zinc/71/59/91/677715991.db2.gz FQURIZNUIYGDMD-UHFFFAOYSA-N 1 2 327.432 2.268 20 10 EECDLO COc1ccc(N2CCCN(c3cc(N(C)C)nc[nH+]3)CC2)cc1 ZINC000891933300 677715996 /nfs/dbraw/zinc/71/59/96/677715996.db2.gz FQURIZNUIYGDMD-UHFFFAOYSA-N 1 2 327.432 2.268 20 10 EECDLO CCn1nc(C)c(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)n1 ZINC000873131949 1198508951 /nfs/dbraw/zinc/50/89/51/1198508951.db2.gz AJUDTSHLVLAMLZ-UHFFFAOYSA-N 1 2 340.431 2.150 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnc(C)nc3)CC2)c(OC)c1 ZINC000877708238 1200045290 /nfs/dbraw/zinc/04/52/90/1200045290.db2.gz FYYPWJKXZXYVNE-UHFFFAOYSA-N 1 2 328.416 2.124 20 10 EECDLO CC(C)NC(=O)N1CCC2(C[NH+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001275772674 1205519904 /nfs/dbraw/zinc/51/99/04/1205519904.db2.gz BIMPPNZWZUTHOO-UHFFFAOYSA-N 1 2 339.386 2.296 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)cc1 ZINC000193288879 1210790469 /nfs/dbraw/zinc/79/04/69/1210790469.db2.gz NXSXOPQNKOPJEW-IBGZPJMESA-N 1 2 346.475 2.499 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)cc1 ZINC000193288879 1210790470 /nfs/dbraw/zinc/79/04/70/1210790470.db2.gz NXSXOPQNKOPJEW-IBGZPJMESA-N 1 2 346.475 2.499 20 10 EECDLO Cc1cccc(C[N@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c1O ZINC001273769092 1285274421 /nfs/dbraw/zinc/27/44/21/1285274421.db2.gz HEDOSKBXEPVLMA-ZWKOTPCHSA-N 1 2 338.398 2.431 20 10 EECDLO Cc1cccc(C[N@@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c1O ZINC001273769092 1285274427 /nfs/dbraw/zinc/27/44/27/1285274427.db2.gz HEDOSKBXEPVLMA-ZWKOTPCHSA-N 1 2 338.398 2.431 20 10 EECDLO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](CC(F)F)C3)C2=O)cc1 ZINC001273847421 1286713122 /nfs/dbraw/zinc/71/31/22/1286713122.db2.gz HKNODBWBCIVAFA-GOSISDBHSA-N 1 2 337.414 2.442 20 10 EECDLO CN(C)c1ccc(CN2CC[C@@]3(CC[N@@H+](CC(F)F)C3)C2=O)cc1 ZINC001273847421 1286713126 /nfs/dbraw/zinc/71/31/26/1286713126.db2.gz HKNODBWBCIVAFA-GOSISDBHSA-N 1 2 337.414 2.442 20 10 EECDLO Cc1cccn2cc(CCNC(=O)c3ccc(C)c(O)c3O)[nH+]c12 ZINC000780955830 1303715752 /nfs/dbraw/zinc/71/57/52/1303715752.db2.gz OOEHHUPMHLSWCY-UHFFFAOYSA-N 1 2 325.368 2.335 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1O ZINC001231548266 1303840765 /nfs/dbraw/zinc/84/07/65/1303840765.db2.gz RDJHWJFUTKZEHP-ZJUUUORDSA-N 1 2 348.212 2.316 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c1O ZINC001231548266 1303840767 /nfs/dbraw/zinc/84/07/67/1303840767.db2.gz RDJHWJFUTKZEHP-ZJUUUORDSA-N 1 2 348.212 2.316 20 10 EECDLO CCOC(=O)c1c(C[NH+]2CCN(CCF)CC2)c2ccccc2n1C ZINC001233272461 1304412177 /nfs/dbraw/zinc/41/21/77/1304412177.db2.gz MEINFNHJUFNILK-UHFFFAOYSA-N 1 2 347.434 2.442 20 10 EECDLO COc1cc(Cl)cc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c1O ZINC001233290027 1304417940 /nfs/dbraw/zinc/41/79/40/1304417940.db2.gz DLUFBQKTQMGEQC-UHFFFAOYSA-N 1 2 340.851 2.349 20 10 EECDLO COc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c(O)c1Cl ZINC001236808340 1305685166 /nfs/dbraw/zinc/68/51/66/1305685166.db2.gz XGMRMAJLLYXXLC-HNNXBMFYSA-N 1 2 326.780 2.129 20 10 EECDLO COc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c(O)c1Cl ZINC001236808340 1305685170 /nfs/dbraw/zinc/68/51/70/1305685170.db2.gz XGMRMAJLLYXXLC-HNNXBMFYSA-N 1 2 326.780 2.129 20 10 EECDLO Oc1c(I)cccc1C[N@@H+](C1CC1)C1COC1 ZINC001237781367 1306088445 /nfs/dbraw/zinc/08/84/45/1306088445.db2.gz VPUFDZFPEYRRCY-UHFFFAOYSA-N 1 2 345.180 2.360 20 10 EECDLO Oc1c(I)cccc1C[N@H+](C1CC1)C1COC1 ZINC001237781367 1306088435 /nfs/dbraw/zinc/08/84/35/1306088435.db2.gz VPUFDZFPEYRRCY-UHFFFAOYSA-N 1 2 345.180 2.360 20 10 EECDLO CC(=O)N1CC[N@H+](Cc2c(O)cccc2Br)C[C@@H]1C ZINC001140103310 1314811248 /nfs/dbraw/zinc/81/12/48/1314811248.db2.gz JBTGKYZRZAYCBN-JTQLQIEISA-N 1 2 327.222 2.207 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250128624 1317216674 /nfs/dbraw/zinc/21/66/74/1317216674.db2.gz IFMSMEDDLNOBNQ-UHFFFAOYSA-N 1 2 328.206 2.458 20 10 EECDLO Oc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1O ZINC001203875156 1321979881 /nfs/dbraw/zinc/97/98/81/1321979881.db2.gz JEKLDCPWXKBKKK-UHFFFAOYSA-N 1 2 342.395 2.144 20 10 EECDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204321955 1322111934 /nfs/dbraw/zinc/11/19/34/1322111934.db2.gz MDMAGKCUPZUVEO-GGPHIMKMSA-N 1 2 344.455 2.439 20 10 EECDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204321955 1322111937 /nfs/dbraw/zinc/11/19/37/1322111937.db2.gz MDMAGKCUPZUVEO-GGPHIMKMSA-N 1 2 344.455 2.439 20 10 EECDLO CN(C)c1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH+]cn1 ZINC001262356868 1322287820 /nfs/dbraw/zinc/28/78/20/1322287820.db2.gz QIZPWAKBZMOHKK-UHFFFAOYSA-N 1 2 345.422 2.255 20 10 EECDLO CN(C)c1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc[nH+]1 ZINC001262356868 1322287825 /nfs/dbraw/zinc/28/78/25/1322287825.db2.gz QIZPWAKBZMOHKK-UHFFFAOYSA-N 1 2 345.422 2.255 20 10 EECDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319913398 1332796552 /nfs/dbraw/zinc/79/65/52/1332796552.db2.gz RLKDSHWIHOHDDP-QZTJIDSGSA-N 1 2 332.444 2.439 20 10 EECDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319913398 1332796554 /nfs/dbraw/zinc/79/65/54/1332796554.db2.gz RLKDSHWIHOHDDP-QZTJIDSGSA-N 1 2 332.444 2.439 20 10 EECDLO Nc1ccc(CCNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC001336906429 1336614342 /nfs/dbraw/zinc/61/43/42/1336614342.db2.gz NBEKAHNGUNLTGQ-UHFFFAOYSA-N 1 2 339.443 2.492 20 10 EECDLO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589978988 1349091555 /nfs/dbraw/zinc/09/15/55/1349091555.db2.gz UFGIITNUUBUEJF-FZMZJTMJSA-N 1 2 342.403 2.119 20 10 EECDLO Oc1cccc(Br)c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000862211039 1369523674 /nfs/dbraw/zinc/52/36/74/1369523674.db2.gz BLGNKUUJUBEISO-UHFFFAOYSA-N 1 2 349.232 2.267 20 10 EECDLO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000798941180 1371622066 /nfs/dbraw/zinc/62/20/66/1371622066.db2.gz WCPVSHVXVDUVTH-WPRPVWTQSA-N 1 2 336.201 2.342 20 10 EECDLO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Br)cc(Cl)c1O ZINC000834897574 1372574072 /nfs/dbraw/zinc/57/40/72/1372574072.db2.gz ULVDOMBZDBSTRS-DIMCTHFVSA-N 1 2 336.613 2.218 20 10 EECDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2F)C[C@H](C)O1 ZINC000816891147 784322145 /nfs/dbraw/zinc/32/21/45/784322145.db2.gz JZXROQVGEUVWQD-BETUJISGSA-N 1 2 346.406 2.021 20 10 EECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)C1CC1 ZINC000822747424 787365445 /nfs/dbraw/zinc/36/54/45/787365445.db2.gz YDQBNJMMHSMXFW-HNNXBMFYSA-N 1 2 327.808 2.446 20 10 EECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)C1CC1 ZINC000822747424 787365455 /nfs/dbraw/zinc/36/54/55/787365455.db2.gz YDQBNJMMHSMXFW-HNNXBMFYSA-N 1 2 327.808 2.446 20 10 EECDLO CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1O ZINC000846188738 790084151 /nfs/dbraw/zinc/08/41/51/790084151.db2.gz PAKSEGOKZUCAAB-ZWNOBZJWSA-N 1 2 332.853 2.120 20 10 EECDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000922053527 798776408 /nfs/dbraw/zinc/77/64/08/798776408.db2.gz DGHLPPOAYMIMHW-DOTOQJQBSA-N 1 2 348.491 2.224 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C)C(C)(C)C)cc12 ZINC001184359501 801981343 /nfs/dbraw/zinc/98/13/43/801981343.db2.gz PBILZYPBOMYJAV-UHFFFAOYSA-N 1 2 346.427 2.496 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C)C(C)(C)C)cc12 ZINC001184359501 801981345 /nfs/dbraw/zinc/98/13/45/801981345.db2.gz PBILZYPBOMYJAV-UHFFFAOYSA-N 1 2 346.427 2.496 20 10 EECDLO COc1ccc(N2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC000806538640 811898787 /nfs/dbraw/zinc/89/87/87/811898787.db2.gz OPWLTRCUXZIZBB-UHFFFAOYSA-N 1 2 328.416 2.090 20 10 EECDLO CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1O ZINC000287765731 463992641 /nfs/dbraw/zinc/99/26/41/463992641.db2.gz REFRFIFIJVBBDX-SMDDNHRTSA-N 1 2 346.880 2.368 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1F ZINC000287837570 464016441 /nfs/dbraw/zinc/01/64/41/464016441.db2.gz WLGSTLBBUMHOSI-SFHVURJKSA-N 1 2 349.450 2.009 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1F ZINC000287837570 464016446 /nfs/dbraw/zinc/01/64/46/464016446.db2.gz WLGSTLBBUMHOSI-SFHVURJKSA-N 1 2 349.450 2.009 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1F ZINC000293789552 464421109 /nfs/dbraw/zinc/42/11/09/464421109.db2.gz CKMLLQSMSNSLKI-AWEZNQCLSA-N 1 2 328.453 2.148 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1F ZINC000293789552 464421114 /nfs/dbraw/zinc/42/11/14/464421114.db2.gz CKMLLQSMSNSLKI-AWEZNQCLSA-N 1 2 328.453 2.148 20 10 EECDLO Cc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc[nH+]1 ZINC000731982578 577139735 /nfs/dbraw/zinc/13/97/35/577139735.db2.gz UUWICSZZYZDGGS-HNNXBMFYSA-N 1 2 325.416 2.099 20 10 EECDLO FC(F)(F)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769464873 577578398 /nfs/dbraw/zinc/57/83/98/577578398.db2.gz BGKJDUYJCIGJQD-HNNXBMFYSA-N 1 2 330.350 2.286 20 10 EECDLO FC(F)(F)[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769464873 577578399 /nfs/dbraw/zinc/57/83/99/577578399.db2.gz BGKJDUYJCIGJQD-HNNXBMFYSA-N 1 2 330.350 2.286 20 10 EECDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000762632283 577704926 /nfs/dbraw/zinc/70/49/26/577704926.db2.gz FPONWZCQVOLCLK-ZDUSSCGKSA-N 1 2 341.404 2.214 20 10 EECDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000762632283 577704927 /nfs/dbraw/zinc/70/49/27/577704927.db2.gz FPONWZCQVOLCLK-ZDUSSCGKSA-N 1 2 341.404 2.214 20 10 EECDLO COc1ccc(C[N@H+](C)Cc2nnc3ccccn32)c(O)c1OC ZINC000891859500 676870524 /nfs/dbraw/zinc/87/05/24/676870524.db2.gz LOFWYVALPLNUPP-UHFFFAOYSA-N 1 2 328.372 2.084 20 10 EECDLO COc1ccc(C[N@@H+](C)Cc2nnc3ccccn32)c(O)c1OC ZINC000891859500 676870526 /nfs/dbraw/zinc/87/05/26/676870526.db2.gz LOFWYVALPLNUPP-UHFFFAOYSA-N 1 2 328.372 2.084 20 10 EECDLO COc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(O)cc1C ZINC000872753179 1198369673 /nfs/dbraw/zinc/36/96/73/1198369673.db2.gz JNMJTBPLKSELMP-OAHLLOKOSA-N 1 2 346.349 2.352 20 10 EECDLO COc1cc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(O)cc1C ZINC000872753179 1198369676 /nfs/dbraw/zinc/36/96/76/1198369676.db2.gz JNMJTBPLKSELMP-OAHLLOKOSA-N 1 2 346.349 2.352 20 10 EECDLO CCCCN1C(=O)COCC12C[NH+](Cc1cc(F)cc(C)c1O)C2 ZINC001274099289 1204370625 /nfs/dbraw/zinc/37/06/25/1204370625.db2.gz CJKXFUSKVZXHQA-UHFFFAOYSA-N 1 2 336.407 2.053 20 10 EECDLO Oc1cc(F)c(F)cc1CN1C[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC001275773812 1205520819 /nfs/dbraw/zinc/52/08/19/1205520819.db2.gz NCKAONHSSDDQTC-WMZOPIPTSA-N 1 2 338.398 2.498 20 10 EECDLO Oc1cc(F)c(F)cc1CN1C[C@@H]2OCC[N@@H+](C3CCCC3)[C@H]2C1 ZINC001275773812 1205520821 /nfs/dbraw/zinc/52/08/21/1205520821.db2.gz NCKAONHSSDDQTC-WMZOPIPTSA-N 1 2 338.398 2.498 20 10 EECDLO CC(=O)NC1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235299307 1305181445 /nfs/dbraw/zinc/18/14/45/1305181445.db2.gz UCHNUCYVBHCGLY-UHFFFAOYSA-N 1 2 345.212 2.394 20 10 EECDLO COc1cc(C)c(CN2CC[NH+](CCc3ccncc3)CC2)c(O)c1 ZINC001236812943 1305687716 /nfs/dbraw/zinc/68/77/16/1305687716.db2.gz HXYMJPAVCZNIJT-UHFFFAOYSA-N 1 2 341.455 2.465 20 10 EECDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237120032 1305800139 /nfs/dbraw/zinc/80/01/39/1305800139.db2.gz HVVSESRMAYZCCK-MADCSZMMSA-N 1 2 343.704 2.045 20 10 EECDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237120032 1305800156 /nfs/dbraw/zinc/80/01/56/1305800156.db2.gz HVVSESRMAYZCCK-MADCSZMMSA-N 1 2 343.704 2.045 20 10 EECDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)nn1C ZINC001237563198 1305983389 /nfs/dbraw/zinc/98/33/89/1305983389.db2.gz KIYUVZPFKWJGLH-UHFFFAOYSA-N 1 2 342.443 2.439 20 10 EECDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)nn1C ZINC001237563198 1305983392 /nfs/dbraw/zinc/98/33/92/1305983392.db2.gz KIYUVZPFKWJGLH-UHFFFAOYSA-N 1 2 342.443 2.439 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CCCN(C)C(=O)C2)cc1Br ZINC001237678650 1306041360 /nfs/dbraw/zinc/04/13/60/1306041360.db2.gz KHQGKQCISKMESE-UHFFFAOYSA-N 1 2 327.222 2.127 20 10 EECDLO CC[C@]1(C(=O)OC)C[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)C[NH2+]1 ZINC001246790167 1310430843 /nfs/dbraw/zinc/43/08/43/1310430843.db2.gz LKSATAJQXHMGDS-UYAOXDASSA-N 1 2 345.487 2.402 20 10 EECDLO Oc1ccc(O)c(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)c1 ZINC001141159569 1315051416 /nfs/dbraw/zinc/05/14/16/1315051416.db2.gz HBCNGLYRCXCXOI-HNNXBMFYSA-N 1 2 343.427 2.353 20 10 EECDLO Oc1ccc(O)c(C[N@@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)c1 ZINC001141159569 1315051418 /nfs/dbraw/zinc/05/14/18/1315051418.db2.gz HBCNGLYRCXCXOI-HNNXBMFYSA-N 1 2 343.427 2.353 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000840485987 1315370207 /nfs/dbraw/zinc/37/02/07/1315370207.db2.gz XPCIPGJLKBEPCK-HNNXBMFYSA-N 1 2 341.459 2.414 20 10 EECDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001203635696 1321929067 /nfs/dbraw/zinc/92/90/67/1321929067.db2.gz DSJVQMKVPVDWQX-ZBINZKHDSA-N 1 2 342.233 2.126 20 10 EECDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Br)ccc1O ZINC001203635696 1321929070 /nfs/dbraw/zinc/92/90/70/1321929070.db2.gz DSJVQMKVPVDWQX-ZBINZKHDSA-N 1 2 342.233 2.126 20 10 EECDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cccc(F)c2O)CCC1 ZINC001276538211 1324004255 /nfs/dbraw/zinc/00/42/55/1324004255.db2.gz WBNOARFEJZRZRB-GASCZTMLSA-N 1 2 348.418 2.276 20 10 EECDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cccc(F)c2O)CCC1 ZINC001276538211 1324004261 /nfs/dbraw/zinc/00/42/61/1324004261.db2.gz WBNOARFEJZRZRB-GASCZTMLSA-N 1 2 348.418 2.276 20 10 EECDLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000847393480 1338024160 /nfs/dbraw/zinc/02/41/60/1338024160.db2.gz MCCBLBTUKIGQJU-LSDHHAIUSA-N 1 2 342.443 2.302 20 10 EECDLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000847393480 1338024165 /nfs/dbraw/zinc/02/41/65/1338024165.db2.gz MCCBLBTUKIGQJU-LSDHHAIUSA-N 1 2 342.443 2.302 20 10 EECDLO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589951888 1349076722 /nfs/dbraw/zinc/07/67/22/1349076722.db2.gz HPXBEFLDFZTFSS-DETPVDSQSA-N 1 2 343.431 2.428 20 10 EECDLO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589959155 1349081421 /nfs/dbraw/zinc/08/14/21/1349081421.db2.gz NQXLHSUVODZKAF-QWHCGFSZSA-N 1 2 330.436 2.097 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589964778 1349083593 /nfs/dbraw/zinc/08/35/93/1349083593.db2.gz SNTFBDYPGDFPGD-VXGBXAGGSA-N 1 2 337.383 2.399 20 10 EECDLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)cnn1C ZINC001605483508 1351168494 /nfs/dbraw/zinc/16/84/94/1351168494.db2.gz FAPAJKUJLURBIX-VHSXEESVSA-N 1 2 327.392 2.026 20 10 EECDLO COCCN1CC[N@H+](Cc2c(O)cccc2F)Cc2cccnc21 ZINC001137835605 1372281902 /nfs/dbraw/zinc/28/19/02/1372281902.db2.gz KVCHUDLVIINUJK-UHFFFAOYSA-N 1 2 331.391 2.395 20 10 EECDLO COCCN1CC[N@@H+](Cc2c(O)cccc2F)Cc2cccnc21 ZINC001137835605 1372281903 /nfs/dbraw/zinc/28/19/03/1372281903.db2.gz KVCHUDLVIINUJK-UHFFFAOYSA-N 1 2 331.391 2.395 20 10 EECDLO COCC1(CC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CCC1 ZINC001591387827 1403908056 /nfs/dbraw/zinc/90/80/56/1403908056.db2.gz FUQVFNNERWHJRG-LBPRGKRZSA-N 1 2 331.420 2.430 20 10 EECDLO Cc1nc(NC[C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)cc[nH+]1 ZINC001107798191 788432768 /nfs/dbraw/zinc/43/27/68/788432768.db2.gz FIKSOSDBCWQAPK-SNVBAGLBSA-N 1 2 341.375 2.178 20 10 EECDLO O=C(CCn1cc[nH+]c1)NCc1cc(Cl)c2cccnc2c1O ZINC001176883048 798612284 /nfs/dbraw/zinc/61/22/84/798612284.db2.gz BQSROTQWMUARQO-UHFFFAOYSA-N 1 2 330.775 2.497 20 10 EECDLO COc1cc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346811 801249308 /nfs/dbraw/zinc/24/93/08/801249308.db2.gz ZVPCOZQKGLICMW-UHFFFAOYSA-N 1 2 338.404 2.158 20 10 EECDLO COc1cc(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346811 801249317 /nfs/dbraw/zinc/24/93/17/801249317.db2.gz ZVPCOZQKGLICMW-UHFFFAOYSA-N 1 2 338.404 2.158 20 10 EECDLO Oc1cccc(C[NH+]2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000092789642 237042649 /nfs/dbraw/zinc/04/26/49/237042649.db2.gz UKCUPTAGXICFJL-UHFFFAOYSA-N 1 2 342.395 2.144 20 10 EECDLO O=C1C[N@H+](Cc2cccc(N[C@@H]3CCc4cccc(O)c43)c2)CCN1 ZINC000297471928 465258755 /nfs/dbraw/zinc/25/87/55/465258755.db2.gz YQKNBHNJQTVMHL-QGZVFWFLSA-N 1 2 337.423 2.423 20 10 EECDLO O=C1C[N@@H+](Cc2cccc(N[C@@H]3CCc4cccc(O)c43)c2)CCN1 ZINC000297471928 465258762 /nfs/dbraw/zinc/25/87/62/465258762.db2.gz YQKNBHNJQTVMHL-QGZVFWFLSA-N 1 2 337.423 2.423 20 10 EECDLO COC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1 ZINC000278342290 463963034 /nfs/dbraw/zinc/96/30/34/463963034.db2.gz HSKYMAZFLLTRQZ-JTQLQIEISA-N 1 2 338.360 2.225 20 10 EECDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1 ZINC000278342290 463963042 /nfs/dbraw/zinc/96/30/42/463963042.db2.gz HSKYMAZFLLTRQZ-JTQLQIEISA-N 1 2 338.360 2.225 20 10 EECDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 ZINC000279200507 464061342 /nfs/dbraw/zinc/06/13/42/464061342.db2.gz ARGAUGMQSZJZGZ-HNAYVOBHSA-N 1 2 345.487 2.210 20 10 EECDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 ZINC000279200507 464061349 /nfs/dbraw/zinc/06/13/49/464061349.db2.gz ARGAUGMQSZJZGZ-HNAYVOBHSA-N 1 2 345.487 2.210 20 10 EECDLO CN(C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)S(C)(=O)=O ZINC000289331146 464074497 /nfs/dbraw/zinc/07/44/97/464074497.db2.gz GVJOEEBAOVBWNA-GFCCVEGCSA-N 1 2 346.880 2.149 20 10 EECDLO CN(C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)S(C)(=O)=O ZINC000289331146 464074504 /nfs/dbraw/zinc/07/45/04/464074504.db2.gz GVJOEEBAOVBWNA-GFCCVEGCSA-N 1 2 346.880 2.149 20 10 EECDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)[nH]1 ZINC000272755214 464687928 /nfs/dbraw/zinc/68/79/28/464687928.db2.gz OSAVRIDWTGSNJY-UHFFFAOYSA-N 1 2 347.390 2.271 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2c2c(C)n[nH]c2C)cc1OC ZINC000375018575 466770879 /nfs/dbraw/zinc/77/08/79/466770879.db2.gz JSRLHVXZDABFGD-CQSZACIVSA-N 1 2 347.415 2.323 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2c2c(C)n[nH]c2C)cc1OC ZINC000375018575 466770881 /nfs/dbraw/zinc/77/08/81/466770881.db2.gz JSRLHVXZDABFGD-CQSZACIVSA-N 1 2 347.415 2.323 20 10 EECDLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000378357400 467277108 /nfs/dbraw/zinc/27/71/08/467277108.db2.gz ROEAHXXQJSNCHJ-IBGZPJMESA-N 1 2 345.487 2.356 20 10 EECDLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000378357400 467277111 /nfs/dbraw/zinc/27/71/11/467277111.db2.gz ROEAHXXQJSNCHJ-IBGZPJMESA-N 1 2 345.487 2.356 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC000378444020 467303639 /nfs/dbraw/zinc/30/36/39/467303639.db2.gz OKOUWERALBZGNX-GFCCVEGCSA-N 1 2 341.205 2.100 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC000378444020 467303645 /nfs/dbraw/zinc/30/36/45/467303645.db2.gz OKOUWERALBZGNX-GFCCVEGCSA-N 1 2 341.205 2.100 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726257487 576251716 /nfs/dbraw/zinc/25/17/16/576251716.db2.gz RKMXIDBQJZLOIG-INIZCTEOSA-N 1 2 348.491 2.005 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726257487 576251720 /nfs/dbraw/zinc/25/17/20/576251720.db2.gz RKMXIDBQJZLOIG-INIZCTEOSA-N 1 2 348.491 2.005 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc([N+](=O)[O-])ccc1O ZINC000756457793 577844510 /nfs/dbraw/zinc/84/45/10/577844510.db2.gz LMDYLHGJGKTTJU-IAQYHMDHSA-N 1 2 346.387 2.217 20 10 EECDLO COc1ccc(O)c(CNc2[nH+]c3c(cc2-c2nn[nH]n2)CCC3)c1 ZINC000737107960 578238379 /nfs/dbraw/zinc/23/83/79/578238379.db2.gz HHQUJONVJHUJAU-UHFFFAOYSA-N 1 2 338.371 2.077 20 10 EECDLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779525284 1210406379 /nfs/dbraw/zinc/40/63/79/1210406379.db2.gz JOFPMJVVHZDMLR-HYXAFXHYSA-N 1 2 340.370 2.299 20 10 EECDLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779525284 1210406382 /nfs/dbraw/zinc/40/63/82/1210406382.db2.gz JOFPMJVVHZDMLR-HYXAFXHYSA-N 1 2 340.370 2.299 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1F ZINC000084866625 1211581109 /nfs/dbraw/zinc/58/11/09/1211581109.db2.gz MJUMYZDLNBAPRY-UHFFFAOYSA-N 1 2 349.450 2.359 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C\Cl)cc1 ZINC001039062769 1230274544 /nfs/dbraw/zinc/27/45/44/1230274544.db2.gz ZOUUWAFLBAPZFZ-RFECADTPSA-N 1 2 335.795 2.406 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C\Cl)cc1 ZINC001039062769 1230274545 /nfs/dbraw/zinc/27/45/45/1230274545.db2.gz ZOUUWAFLBAPZFZ-RFECADTPSA-N 1 2 335.795 2.406 20 10 EECDLO CC(C)c1ccc(CN2CC[N@H+](C)C[C@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001276814229 1298451665 /nfs/dbraw/zinc/45/16/65/1298451665.db2.gz FLDAGRFSDFOHJF-HXUWFJFHSA-N 1 2 345.487 2.302 20 10 EECDLO CC(C)c1ccc(CN2CC[N@@H+](C)C[C@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001276814229 1298451669 /nfs/dbraw/zinc/45/16/69/1298451669.db2.gz FLDAGRFSDFOHJF-HXUWFJFHSA-N 1 2 345.487 2.302 20 10 EECDLO CCn1ccnc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2c1ccc(OC)cc1 ZINC001276927549 1300303368 /nfs/dbraw/zinc/30/33/68/1300303368.db2.gz TWPPPWOPWSJTDW-CALCHBBNSA-N 1 2 342.443 2.001 20 10 EECDLO CCn1ccnc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2c1ccc(OC)cc1 ZINC001276927549 1300303383 /nfs/dbraw/zinc/30/33/83/1300303383.db2.gz TWPPPWOPWSJTDW-CALCHBBNSA-N 1 2 342.443 2.001 20 10 EECDLO COc1ccc(Br)c(C[NH+]2CCN(CCF)CC2)c1O ZINC001231554347 1303843350 /nfs/dbraw/zinc/84/33/50/1303843350.db2.gz PCGFAJKCIVNVMD-UHFFFAOYSA-N 1 2 347.228 2.250 20 10 EECDLO CC1(C(N)=O)CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233032316 1304335587 /nfs/dbraw/zinc/33/55/87/1304335587.db2.gz ZMKDLNUCMNEKDK-UHFFFAOYSA-N 1 2 345.212 2.381 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)nc1 ZINC001233336670 1304436707 /nfs/dbraw/zinc/43/67/07/1304436707.db2.gz VJWPRGWBKVTHJK-UHFFFAOYSA-N 1 2 335.354 2.396 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)CCCO1 ZINC001236802320 1305681570 /nfs/dbraw/zinc/68/15/70/1305681570.db2.gz IYLRPGLMMONYRN-CYBMUJFWSA-N 1 2 334.199 2.463 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CCCO1 ZINC001236802320 1305681576 /nfs/dbraw/zinc/68/15/76/1305681576.db2.gz IYLRPGLMMONYRN-CYBMUJFWSA-N 1 2 334.199 2.463 20 10 EECDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236930076 1305731672 /nfs/dbraw/zinc/73/16/72/1305731672.db2.gz WFEXOUZTEUUPEL-ZFWWWQNUSA-N 1 2 328.815 2.081 20 10 EECDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236930076 1305731682 /nfs/dbraw/zinc/73/16/82/1305731682.db2.gz WFEXOUZTEUUPEL-ZFWWWQNUSA-N 1 2 328.815 2.081 20 10 EECDLO C[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc(Cl)c3[O-])CC2)CC1 ZINC001237814960 1306107335 /nfs/dbraw/zinc/10/73/35/1306107335.db2.gz UCHUFTJWFQVKBU-UHFFFAOYSA-N 1 2 341.858 2.397 20 10 EECDLO COc1ccc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)cc1C ZINC001158470939 1319256226 /nfs/dbraw/zinc/25/62/26/1319256226.db2.gz GOIBXGKNUWSREN-ZDUSSCGKSA-N 1 2 336.329 2.500 20 10 EECDLO COc1ccc(C[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F)cc1C ZINC001158470939 1319256235 /nfs/dbraw/zinc/25/62/35/1319256235.db2.gz GOIBXGKNUWSREN-ZDUSSCGKSA-N 1 2 336.329 2.500 20 10 EECDLO COc1cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc(O)c1O ZINC001204345029 1322119986 /nfs/dbraw/zinc/11/99/86/1322119986.db2.gz FXUKXEGAZXYTNP-UHFFFAOYSA-N 1 2 349.818 2.477 20 10 EECDLO Oc1ccc(F)c(F)c1CN1C[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC001276472135 1322173623 /nfs/dbraw/zinc/17/36/23/1322173623.db2.gz IVAOROIUTBCFJE-RDJZCZTQSA-N 1 2 338.398 2.498 20 10 EECDLO Oc1ccc(F)c(F)c1CN1C[C@@H]2OCC[N@@H+](C3CCCC3)[C@H]2C1 ZINC001276472135 1322173630 /nfs/dbraw/zinc/17/36/30/1322173630.db2.gz IVAOROIUTBCFJE-RDJZCZTQSA-N 1 2 338.398 2.498 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001332888468 1335925171 /nfs/dbraw/zinc/92/51/71/1335925171.db2.gz COJUMZVIVMSMQL-OAHLLOKOSA-N 1 2 342.443 2.336 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC001332888468 1335925174 /nfs/dbraw/zinc/92/51/74/1335925174.db2.gz COJUMZVIVMSMQL-OAHLLOKOSA-N 1 2 342.443 2.336 20 10 EECDLO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603656739 1350735187 /nfs/dbraw/zinc/73/51/87/1350735187.db2.gz IMZJRQDWBMZCAU-LBPRGKRZSA-N 1 2 343.431 2.166 20 10 EECDLO C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603662454 1350737210 /nfs/dbraw/zinc/73/72/10/1350737210.db2.gz KVWOTRXSYKUFHW-NHYWBVRUSA-N 1 2 331.420 2.164 20 10 EECDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830560003 1372336399 /nfs/dbraw/zinc/33/63/99/1372336399.db2.gz ZKKGMOOZIAFHEL-HUUCEWRRSA-N 1 2 325.412 2.424 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140850301 1372696047 /nfs/dbraw/zinc/69/60/47/1372696047.db2.gz IODHLAYMWNEQJO-INIZCTEOSA-N 1 2 348.443 2.193 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140850301 1372696054 /nfs/dbraw/zinc/69/60/54/1372696054.db2.gz IODHLAYMWNEQJO-INIZCTEOSA-N 1 2 348.443 2.193 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2O)CCC1=O ZINC001140850301 1372696059 /nfs/dbraw/zinc/69/60/59/1372696059.db2.gz IODHLAYMWNEQJO-INIZCTEOSA-N 1 2 348.443 2.193 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2O)CCC1=O ZINC001140850301 1372696064 /nfs/dbraw/zinc/69/60/64/1372696064.db2.gz IODHLAYMWNEQJO-INIZCTEOSA-N 1 2 348.443 2.193 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000846659598 790322304 /nfs/dbraw/zinc/32/23/04/790322304.db2.gz UBDAMJVUAFAYQX-OAHLLOKOSA-N 1 2 342.443 2.049 20 10 EECDLO CSCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089800018 775821489 /nfs/dbraw/zinc/82/14/89/775821489.db2.gz RVVLFQZCNATRJY-UHFFFAOYSA-N 1 2 334.489 2.408 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)c3cccc(N)c3C2=O)cc1 ZINC000818218856 785223414 /nfs/dbraw/zinc/22/34/14/785223414.db2.gz SMBOZNWGBMVBEY-UHFFFAOYSA-N 1 2 338.411 2.020 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)c3cccc(N)c3C2=O)cc1 ZINC000818218856 785223418 /nfs/dbraw/zinc/22/34/18/785223418.db2.gz SMBOZNWGBMVBEY-UHFFFAOYSA-N 1 2 338.411 2.020 20 10 EECDLO COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)cc1 ZINC000844602543 789253536 /nfs/dbraw/zinc/25/35/36/789253536.db2.gz LKTMUSITGTZFEG-HZPDHXFCSA-N 1 2 342.443 2.486 20 10 EECDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298949 789516520 /nfs/dbraw/zinc/51/65/20/789516520.db2.gz MNJRKQDPOWDDJG-QMMMGPOBSA-N 1 2 332.169 2.289 20 10 EECDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298949 789516527 /nfs/dbraw/zinc/51/65/27/789516527.db2.gz MNJRKQDPOWDDJG-QMMMGPOBSA-N 1 2 332.169 2.289 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846107331 790053150 /nfs/dbraw/zinc/05/31/50/790053150.db2.gz HRGGRAKKSVJCLA-DIOULYMOSA-N 1 2 325.380 2.368 20 10 EECDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nncn1C ZINC000715787596 795502924 /nfs/dbraw/zinc/50/29/24/795502924.db2.gz FOTIFVMBRJUNKS-SSDOTTSWSA-N 1 2 329.173 2.273 20 10 EECDLO O=C(CC[NH2+]Cc1cc(Cl)cc(Cl)c1O)N1CCOCC1 ZINC000134492991 463046468 /nfs/dbraw/zinc/04/64/68/463046468.db2.gz AZNVZDHAIXAPRY-UHFFFAOYSA-N 1 2 333.215 2.038 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1OC ZINC000160360012 463331914 /nfs/dbraw/zinc/33/19/14/463331914.db2.gz FKYNNHAIXYWSRL-NSHDSACASA-N 1 2 348.365 2.478 20 10 EECDLO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000276746099 463740492 /nfs/dbraw/zinc/74/04/92/463740492.db2.gz VLTUZWYGHFZVOX-UHFFFAOYSA-N 1 2 344.386 2.237 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000171646215 463898894 /nfs/dbraw/zinc/89/88/94/463898894.db2.gz DFIGMLBSMCDLRD-UHFFFAOYSA-N 1 2 348.491 2.006 20 10 EECDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278327825 463961139 /nfs/dbraw/zinc/96/11/39/463961139.db2.gz GYBLCTROEOOAAA-JTQLQIEISA-N 1 2 338.360 2.225 20 10 EECDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278327825 463961143 /nfs/dbraw/zinc/96/11/43/463961143.db2.gz GYBLCTROEOOAAA-JTQLQIEISA-N 1 2 338.360 2.225 20 10 EECDLO C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272566350 464660782 /nfs/dbraw/zinc/66/07/82/464660782.db2.gz FLDKLEZLWKUQQA-HZMBPMFUSA-N 1 2 325.796 2.480 20 10 EECDLO C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272566350 464660789 /nfs/dbraw/zinc/66/07/89/464660789.db2.gz FLDKLEZLWKUQQA-HZMBPMFUSA-N 1 2 325.796 2.480 20 10 EECDLO C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272566350 464660796 /nfs/dbraw/zinc/66/07/96/464660796.db2.gz FLDKLEZLWKUQQA-HZMBPMFUSA-N 1 2 325.796 2.480 20 10 EECDLO C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272566350 464660801 /nfs/dbraw/zinc/66/08/01/464660801.db2.gz FLDKLEZLWKUQQA-HZMBPMFUSA-N 1 2 325.796 2.480 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000248896248 464817400 /nfs/dbraw/zinc/81/74/00/464817400.db2.gz VBJKEQQRGZDDSG-HIFRSBDPSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000248896248 464817405 /nfs/dbraw/zinc/81/74/05/464817405.db2.gz VBJKEQQRGZDDSG-HIFRSBDPSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2C)c1O ZINC000375203676 466829967 /nfs/dbraw/zinc/82/99/67/466829967.db2.gz WIWIETRURQDKQA-KRWDZBQOSA-N 1 2 326.396 2.382 20 10 EECDLO COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2C)c1O ZINC000375203676 466829971 /nfs/dbraw/zinc/82/99/71/466829971.db2.gz WIWIETRURQDKQA-KRWDZBQOSA-N 1 2 326.396 2.382 20 10 EECDLO COc1ccc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000243148185 485535987 /nfs/dbraw/zinc/53/59/87/485535987.db2.gz JMWVHLQLKARRMB-UHFFFAOYSA-N 1 2 339.443 2.412 20 10 EECDLO COc1ccc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000243148185 485535990 /nfs/dbraw/zinc/53/59/90/485535990.db2.gz JMWVHLQLKARRMB-UHFFFAOYSA-N 1 2 339.443 2.412 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nc(C)cc(=O)[nH]3)CC2)cc1 ZINC000192527093 534016947 /nfs/dbraw/zinc/01/69/47/534016947.db2.gz SFHHISXPCMRWKI-AWEZNQCLSA-N 1 2 328.416 2.382 20 10 EECDLO COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000728945469 576565067 /nfs/dbraw/zinc/56/50/67/576565067.db2.gz UVCDWRJBLWNSAC-LBPRGKRZSA-N 1 2 344.415 2.422 20 10 EECDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000765795147 577507406 /nfs/dbraw/zinc/50/74/06/577507406.db2.gz HVYJMUQXTHLQRZ-PWSUYJOCSA-N 1 2 327.222 2.159 20 10 EECDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000769300971 577574547 /nfs/dbraw/zinc/57/45/47/577574547.db2.gz AQIZSRAKJWVIMZ-UHFFFAOYSA-N 1 2 342.395 2.064 20 10 EECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)c1 ZINC000756382043 577843021 /nfs/dbraw/zinc/84/30/21/577843021.db2.gz QLPIUIZCIUBTEK-MEDUHNTESA-N 1 2 328.368 2.056 20 10 EECDLO COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(N(C)CCO)c[nH+]2)c1 ZINC000756844514 577851154 /nfs/dbraw/zinc/85/11/54/577851154.db2.gz JQENVOBQZCIMKW-LBPRGKRZSA-N 1 2 345.399 2.175 20 10 EECDLO CC(C)=CCN1C[C@@]2(F)C[N@H+](Cc3ccccc3O)C[C@@]2(F)C1=O ZINC001272618806 1190933388 /nfs/dbraw/zinc/93/33/88/1190933388.db2.gz OUZDKFBODDYUKC-ZWKOTPCHSA-N 1 2 336.382 2.433 20 10 EECDLO CC(C)=CCN1C[C@@]2(F)C[N@@H+](Cc3ccccc3O)C[C@@]2(F)C1=O ZINC001272618806 1190933391 /nfs/dbraw/zinc/93/33/91/1190933391.db2.gz OUZDKFBODDYUKC-ZWKOTPCHSA-N 1 2 336.382 2.433 20 10 EECDLO COC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000794839165 1198212585 /nfs/dbraw/zinc/21/25/85/1198212585.db2.gz YZUUXWOVQOUNOR-CBAPKCEASA-N 1 2 338.629 2.466 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000874892075 1199061904 /nfs/dbraw/zinc/06/19/04/1199061904.db2.gz ZKQPQYAPPCYMQA-OAHLLOKOSA-N 1 2 330.359 2.332 20 10 EECDLO Oc1ccc(C[NH+]2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000877706173 1200045617 /nfs/dbraw/zinc/04/56/17/1200045617.db2.gz BIYVKHHZSUJROR-UHFFFAOYSA-N 1 2 342.395 2.144 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877776100 1200093493 /nfs/dbraw/zinc/09/34/93/1200093493.db2.gz YBRDNGBAOQALSI-OAHLLOKOSA-N 1 2 329.366 2.396 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877776100 1200093497 /nfs/dbraw/zinc/09/34/97/1200093497.db2.gz YBRDNGBAOQALSI-OAHLLOKOSA-N 1 2 329.366 2.396 20 10 EECDLO CC(C)C[C@@H]1NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000023852584 1201434134 /nfs/dbraw/zinc/43/41/34/1201434134.db2.gz WXRQKWWTWPHXSI-INIZCTEOSA-N 1 2 332.448 2.108 20 10 EECDLO CC(C)C[C@@H]1NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000023852584 1201434135 /nfs/dbraw/zinc/43/41/35/1201434135.db2.gz WXRQKWWTWPHXSI-INIZCTEOSA-N 1 2 332.448 2.108 20 10 EECDLO CN1C[C@]2(CC[N@H+](Cc3c(O)ccc(Cl)c3Cl)C2)OCC1=O ZINC001274795707 1205166405 /nfs/dbraw/zinc/16/64/05/1205166405.db2.gz LWMGVMPQZOSRAG-HNNXBMFYSA-N 1 2 345.226 2.132 20 10 EECDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccc(N(C)C)cc2)n(C)n1 ZINC001275834148 1205557083 /nfs/dbraw/zinc/55/70/83/1205557083.db2.gz XZOGNCZESCTHLR-BGYRXZFFSA-N 1 2 339.487 2.253 20 10 EECDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccc(N(C)C)cc2)n(C)n1 ZINC001275834148 1205557085 /nfs/dbraw/zinc/55/70/85/1205557085.db2.gz XZOGNCZESCTHLR-BGYRXZFFSA-N 1 2 339.487 2.253 20 10 EECDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1O ZINC000688579028 1210645159 /nfs/dbraw/zinc/64/51/59/1210645159.db2.gz BVSXKZTZTOSGFK-UHFFFAOYSA-N 1 2 336.251 2.021 20 10 EECDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1O ZINC000688579028 1210645160 /nfs/dbraw/zinc/64/51/60/1210645160.db2.gz BVSXKZTZTOSGFK-UHFFFAOYSA-N 1 2 336.251 2.021 20 10 EECDLO COc1ccc(C[NH+]2CC3(C2)CC[C@@H](C(=O)NC(C)(C)C)O3)c(O)c1 ZINC001277454521 1303180232 /nfs/dbraw/zinc/18/02/32/1303180232.db2.gz UWCAIIBVOBCCKT-INIZCTEOSA-N 1 2 348.443 2.049 20 10 EECDLO COC(=O)[C@@H]1COCCC12C[NH+](Cc1cccc(Cl)c1O)C2 ZINC001231912234 1303945234 /nfs/dbraw/zinc/94/52/34/1303945234.db2.gz AGDLBRWEKIDJCQ-LBPRGKRZSA-N 1 2 325.792 2.057 20 10 EECDLO COC[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)Cc2cn(C)nc21 ZINC001232257729 1304056148 /nfs/dbraw/zinc/05/61/48/1304056148.db2.gz IPHWZOSROWFATL-GFCCVEGCSA-N 1 2 337.807 2.231 20 10 EECDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2cc(O)ccc2O)c1C ZINC001277657396 1304102038 /nfs/dbraw/zinc/10/20/38/1304102038.db2.gz PZLBSJFNEKUVPD-SCLBCKFNSA-N 1 2 343.383 2.306 20 10 EECDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2cc(O)ccc2O)c1C ZINC001277657396 1304102040 /nfs/dbraw/zinc/10/20/40/1304102040.db2.gz PZLBSJFNEKUVPD-SCLBCKFNSA-N 1 2 343.383 2.306 20 10 EECDLO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079600 1304354501 /nfs/dbraw/zinc/35/45/01/1304354501.db2.gz GPQPIRAUBOUVBL-ZDUSSCGKSA-N 1 2 342.386 2.130 20 10 EECDLO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079600 1304354504 /nfs/dbraw/zinc/35/45/04/1304354504.db2.gz GPQPIRAUBOUVBL-ZDUSSCGKSA-N 1 2 342.386 2.130 20 10 EECDLO CCOc1ccc(N2CC[NH+](CC(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC001116370195 1305879636 /nfs/dbraw/zinc/87/96/36/1305879636.db2.gz QOCDSHPFGYDWGN-MRXNPFEDSA-N 1 2 333.476 2.368 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001139129384 1314707987 /nfs/dbraw/zinc/70/79/87/1314707987.db2.gz XTKGYBLEDIQVKX-ZDUSSCGKSA-N 1 2 344.411 2.107 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001139129384 1314707993 /nfs/dbraw/zinc/70/79/93/1314707993.db2.gz XTKGYBLEDIQVKX-ZDUSSCGKSA-N 1 2 344.411 2.107 20 10 EECDLO C[N@@H+]1CCO[C@@]2(CCCN(Cc3cc(Cl)c(O)cc3O)C2)C1 ZINC001276618140 1324816387 /nfs/dbraw/zinc/81/63/87/1324816387.db2.gz YQYFLPMDHXRGBP-INIZCTEOSA-N 1 2 326.824 2.048 20 10 EECDLO C[N@H+]1CCO[C@@]2(CCCN(Cc3cc(Cl)c(O)cc3O)C2)C1 ZINC001276618140 1324816390 /nfs/dbraw/zinc/81/63/90/1324816390.db2.gz YQYFLPMDHXRGBP-INIZCTEOSA-N 1 2 326.824 2.048 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN(c3cnccn3)[C@@H](C)C2)c1O ZINC001308172087 1331569430 /nfs/dbraw/zinc/56/94/30/1331569430.db2.gz CFCMJUOICVVUOF-LBPRGKRZSA-N 1 2 344.390 2.235 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN(c3cnccn3)[C@@H](C)C2)c1O ZINC001308172087 1331569431 /nfs/dbraw/zinc/56/94/31/1331569431.db2.gz CFCMJUOICVVUOF-LBPRGKRZSA-N 1 2 344.390 2.235 20 10 EECDLO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589551609 1349003797 /nfs/dbraw/zinc/00/37/97/1349003797.db2.gz ATICVAGSBWASFG-OLZOCXBDSA-N 1 2 333.436 2.268 20 10 EECDLO CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590464392 1349339724 /nfs/dbraw/zinc/33/97/24/1349339724.db2.gz CGSAFSZWGDQMQV-IUODEOHRSA-N 1 2 331.420 2.430 20 10 EECDLO CCc1nc(C[NH2+][C@H](CC)c2cccc(-c3nn[nH]n3)c2O)co1 ZINC001590913482 1349409753 /nfs/dbraw/zinc/40/97/53/1349409753.db2.gz XUVKQDOPRCRCCH-CYBMUJFWSA-N 1 2 328.376 2.364 20 10 EECDLO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603463360 1350708881 /nfs/dbraw/zinc/70/88/81/1350708881.db2.gz INILEBWIUGMIFZ-JTNHKYCSSA-N 1 2 343.387 2.328 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1cccc(-c2nn[nH]n2)c1O ZINC001604053103 1350840395 /nfs/dbraw/zinc/84/03/95/1350840395.db2.gz BKSCLFCIEQETNZ-CQDKDKBSSA-N 1 2 331.420 2.428 20 10 EECDLO Cc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c(O)c1O ZINC000780951156 1371180785 /nfs/dbraw/zinc/18/07/85/1371180785.db2.gz DRRGKDTVQNEDNL-UHFFFAOYSA-N 1 2 328.359 2.208 20 10 EECDLO Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c(O)c1O ZINC000780951156 1371180791 /nfs/dbraw/zinc/18/07/91/1371180791.db2.gz DRRGKDTVQNEDNL-UHFFFAOYSA-N 1 2 328.359 2.208 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1ccc(C)cc1O ZINC001140952386 1372725801 /nfs/dbraw/zinc/72/58/01/1372725801.db2.gz PTZCQIQXIAPMSD-KRWDZBQOSA-N 1 2 342.443 2.448 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1ccc(C)cc1O ZINC001140952386 1372725804 /nfs/dbraw/zinc/72/58/04/1372725804.db2.gz PTZCQIQXIAPMSD-KRWDZBQOSA-N 1 2 342.443 2.448 20 10 EECDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC000068477235 774583066 /nfs/dbraw/zinc/58/30/66/774583066.db2.gz GQKMZTMALSLFRS-OAHLLOKOSA-N 1 2 333.476 2.210 20 10 EECDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC000068477235 774583072 /nfs/dbraw/zinc/58/30/72/774583072.db2.gz GQKMZTMALSLFRS-OAHLLOKOSA-N 1 2 333.476 2.210 20 10 EECDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000073166980 783882167 /nfs/dbraw/zinc/88/21/67/783882167.db2.gz MXUNZXNMXKSNIT-LJQANCHMSA-N 1 2 347.503 2.458 20 10 EECDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000073166980 783882177 /nfs/dbraw/zinc/88/21/77/783882177.db2.gz MXUNZXNMXKSNIT-LJQANCHMSA-N 1 2 347.503 2.458 20 10 EECDLO CC[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844388996 789058523 /nfs/dbraw/zinc/05/85/23/789058523.db2.gz CDDWQNBJPHKCPD-MAUKXSAKSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844388996 789058532 /nfs/dbraw/zinc/05/85/32/789058532.db2.gz CDDWQNBJPHKCPD-MAUKXSAKSA-N 1 2 333.476 2.210 20 10 EECDLO CCOC(=O)c1cnn(C[N@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC000844726219 789330014 /nfs/dbraw/zinc/33/00/14/789330014.db2.gz RUBPMTKJYOUAHQ-UHFFFAOYSA-N 1 2 346.431 2.094 20 10 EECDLO CCOC(=O)c1cnn(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC000844726219 789330024 /nfs/dbraw/zinc/33/00/24/789330024.db2.gz RUBPMTKJYOUAHQ-UHFFFAOYSA-N 1 2 346.431 2.094 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(OCC)cc1O)[C@@H]1CCCOC1 ZINC000789578135 808070435 /nfs/dbraw/zinc/07/04/35/808070435.db2.gz AXSNMEZRNBJUBI-PBHICJAKSA-N 1 2 337.416 2.239 20 10 EECDLO OCC[N@@H+](Cc1cccnc1Cl)Cc1cc2c(cc1O)OCO2 ZINC000793365320 810286397 /nfs/dbraw/zinc/28/63/97/810286397.db2.gz GZWOKCCHHMOQSA-UHFFFAOYSA-N 1 2 336.775 2.164 20 10 EECDLO OCC[N@H+](Cc1cccnc1Cl)Cc1cc2c(cc1O)OCO2 ZINC000793365320 810286402 /nfs/dbraw/zinc/28/64/02/810286402.db2.gz GZWOKCCHHMOQSA-UHFFFAOYSA-N 1 2 336.775 2.164 20 10 EECDLO Cc1cccc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC000793605578 810429612 /nfs/dbraw/zinc/42/96/12/810429612.db2.gz VTVOCDRCFJYWBF-INIZCTEOSA-N 1 2 349.475 2.341 20 10 EECDLO Cc1cccc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC000793605578 810429619 /nfs/dbraw/zinc/42/96/19/810429619.db2.gz VTVOCDRCFJYWBF-INIZCTEOSA-N 1 2 349.475 2.341 20 10 EECDLO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC[S@@]1=O ZINC000277727785 463930921 /nfs/dbraw/zinc/93/09/21/463930921.db2.gz SUGXKPIVUZGAIS-YPMLDQLKSA-N 1 2 332.263 2.498 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[S@@]1=O ZINC000277727785 463930923 /nfs/dbraw/zinc/93/09/23/463930923.db2.gz SUGXKPIVUZGAIS-YPMLDQLKSA-N 1 2 332.263 2.498 20 10 EECDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(O)c1O)c1cccc(F)c1 ZINC000186860348 464073769 /nfs/dbraw/zinc/07/37/69/464073769.db2.gz XJUUCLVLGOJSQN-OAHLLOKOSA-N 1 2 341.342 2.490 20 10 EECDLO COCC[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289509715 464082759 /nfs/dbraw/zinc/08/27/59/464082759.db2.gz UOJOUOGFXWBMGV-UHFFFAOYSA-N 1 2 347.371 2.353 20 10 EECDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289509715 464082764 /nfs/dbraw/zinc/08/27/64/464082764.db2.gz UOJOUOGFXWBMGV-UHFFFAOYSA-N 1 2 347.371 2.353 20 10 EECDLO COc1c(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000293906633 464424956 /nfs/dbraw/zinc/42/49/56/464424956.db2.gz FTJGHPUJLNIQSQ-IAGOWNOFSA-N 1 2 334.372 2.452 20 10 EECDLO COc1c(O)c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000293906633 464424960 /nfs/dbraw/zinc/42/49/60/464424960.db2.gz FTJGHPUJLNIQSQ-IAGOWNOFSA-N 1 2 334.372 2.452 20 10 EECDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1O ZINC000273376006 464713192 /nfs/dbraw/zinc/71/31/92/464713192.db2.gz HGKCAFSLWKRVQP-LLVKDONJSA-N 1 2 331.376 2.469 20 10 EECDLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ncn(C)n1 ZINC000275792109 464789821 /nfs/dbraw/zinc/78/98/21/464789821.db2.gz XHEFUYYBVMIURG-CHWSQXEVSA-N 1 2 333.411 2.203 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCN2CCOCC2)c1O ZINC000177164621 464947316 /nfs/dbraw/zinc/94/73/16/464947316.db2.gz JXIDZCHKBMEDMU-UHFFFAOYSA-N 1 2 326.824 2.012 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCN2CCOCC2)c1O ZINC000177164621 464947318 /nfs/dbraw/zinc/94/73/18/464947318.db2.gz JXIDZCHKBMEDMU-UHFFFAOYSA-N 1 2 326.824 2.012 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000177181087 464951969 /nfs/dbraw/zinc/95/19/69/464951969.db2.gz YDOCCSKMWZVFKA-CQSZACIVSA-N 1 2 327.808 2.222 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000177181087 464951975 /nfs/dbraw/zinc/95/19/75/464951975.db2.gz YDOCCSKMWZVFKA-CQSZACIVSA-N 1 2 327.808 2.222 20 10 EECDLO CCn1cnnc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725845839 576065449 /nfs/dbraw/zinc/06/54/49/576065449.db2.gz JWZPKOHTDALTJR-UHFFFAOYSA-N 1 2 344.419 2.486 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726257490 576251479 /nfs/dbraw/zinc/25/14/79/576251479.db2.gz RKMXIDBQJZLOIG-MRXNPFEDSA-N 1 2 348.491 2.005 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726257490 576251481 /nfs/dbraw/zinc/25/14/81/576251481.db2.gz RKMXIDBQJZLOIG-MRXNPFEDSA-N 1 2 348.491 2.005 20 10 EECDLO O=C1NCCN1C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775630718 577441319 /nfs/dbraw/zinc/44/13/19/577441319.db2.gz NVHJAGPSKGQJHC-UHFFFAOYSA-N 1 2 327.787 2.174 20 10 EECDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000753846052 577795071 /nfs/dbraw/zinc/79/50/71/577795071.db2.gz BOHFZJVXSMKLQR-HNNXBMFYSA-N 1 2 333.476 2.210 20 10 EECDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000753846052 577795072 /nfs/dbraw/zinc/79/50/72/577795072.db2.gz BOHFZJVXSMKLQR-HNNXBMFYSA-N 1 2 333.476 2.210 20 10 EECDLO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc([N+](=O)[O-])ccc1O ZINC000756457791 577844558 /nfs/dbraw/zinc/84/45/58/577844558.db2.gz LMDYLHGJGKTTJU-ABAIWWIYSA-N 1 2 346.387 2.217 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000161999388 679356555 /nfs/dbraw/zinc/35/65/55/679356555.db2.gz HHJKFTNBHRMPMN-LLVKDONJSA-N 1 2 343.221 2.003 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000161999388 679356556 /nfs/dbraw/zinc/35/65/56/679356556.db2.gz HHJKFTNBHRMPMN-LLVKDONJSA-N 1 2 343.221 2.003 20 10 EECDLO CCCCN1C(=O)COCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001273158814 1197144520 /nfs/dbraw/zinc/14/45/20/1197144520.db2.gz CMEIHKWPAWTRID-UHFFFAOYSA-N 1 2 338.835 2.259 20 10 EECDLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000794840229 1198239117 /nfs/dbraw/zinc/23/91/17/1198239117.db2.gz HIEKILKXQKJBPS-ZDUSSCGKSA-N 1 2 333.411 2.125 20 10 EECDLO CCc1ncc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)cn1 ZINC000877708613 1200046917 /nfs/dbraw/zinc/04/69/17/1200046917.db2.gz QJVXSLBIDADCQV-UHFFFAOYSA-N 1 2 342.443 2.378 20 10 EECDLO CCn1cnnc1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883009389 1201995171 /nfs/dbraw/zinc/99/51/71/1201995171.db2.gz GOWOCKCCUNAYED-UHFFFAOYSA-N 1 2 343.200 2.238 20 10 EECDLO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001275419552 1205350465 /nfs/dbraw/zinc/35/04/65/1205350465.db2.gz NNYBHJKNGZDFBZ-JZXOWHBKSA-N 1 2 340.423 2.405 20 10 EECDLO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001275419552 1205350467 /nfs/dbraw/zinc/35/04/67/1205350467.db2.gz NNYBHJKNGZDFBZ-JZXOWHBKSA-N 1 2 340.423 2.405 20 10 EECDLO O=C(Cc1ccsc1)N1CC2(C1)C[NH+](Cc1c(O)cccc1F)C2 ZINC001276354171 1213898803 /nfs/dbraw/zinc/89/88/03/1213898803.db2.gz LDZHJSSSBPWIEU-UHFFFAOYSA-N 1 2 346.427 2.480 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cncc(C)n3)CC2)c(OC)c1 ZINC001203177455 1285428705 /nfs/dbraw/zinc/42/87/05/1285428705.db2.gz QZUVEJPWTQFKDO-UHFFFAOYSA-N 1 2 328.416 2.124 20 10 EECDLO COC(=O)c1c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c2ccccc2n1C ZINC001232403397 1304108846 /nfs/dbraw/zinc/10/88/46/1304108846.db2.gz XKUBDXSJEDLUGV-OLZOCXBDSA-N 1 2 334.391 2.117 20 10 EECDLO COC(=O)c1c(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c2ccccc2n1C ZINC001232403397 1304108850 /nfs/dbraw/zinc/10/88/50/1304108850.db2.gz XKUBDXSJEDLUGV-OLZOCXBDSA-N 1 2 334.391 2.117 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C(=O)C2)c(O)c1 ZINC001232840068 1304267039 /nfs/dbraw/zinc/26/70/39/1304267039.db2.gz LQSDQARNIGBJMJ-UHFFFAOYSA-N 1 2 349.431 2.038 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C(=O)C2)c(O)c1 ZINC001232840068 1304267042 /nfs/dbraw/zinc/26/70/42/1304267042.db2.gz LQSDQARNIGBJMJ-UHFFFAOYSA-N 1 2 349.431 2.038 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CC[C@](F)(CO)C2)cc1Br ZINC001233134784 1304370166 /nfs/dbraw/zinc/37/01/66/1304370166.db2.gz DORYVOGYGUSMST-CYBMUJFWSA-N 1 2 334.185 2.070 20 10 EECDLO COc1cc(O)c(C[N@H+]2CC[C@](F)(CO)C2)cc1Br ZINC001233134784 1304370170 /nfs/dbraw/zinc/37/01/70/1304370170.db2.gz DORYVOGYGUSMST-CYBMUJFWSA-N 1 2 334.185 2.070 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCC3(C2)OCCO3)cc1Br ZINC001233139441 1304373843 /nfs/dbraw/zinc/37/38/43/1304373843.db2.gz MDVBFKLCAWQOBW-UHFFFAOYSA-N 1 2 344.205 2.112 20 10 EECDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC001233336048 1304434665 /nfs/dbraw/zinc/43/46/65/1304434665.db2.gz WRUKMVRCRWSPCB-UHFFFAOYSA-N 1 2 340.761 2.436 20 10 EECDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccc3c(n1)OCCO3)CCC2 ZINC001233894582 1304631151 /nfs/dbraw/zinc/63/11/51/1304631151.db2.gz KLCCHKWRTRZTQH-UHFFFAOYSA-N 1 2 328.368 2.212 20 10 EECDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc3c(n1)OCCO3)CCC2 ZINC001233894582 1304631155 /nfs/dbraw/zinc/63/11/55/1304631155.db2.gz KLCCHKWRTRZTQH-UHFFFAOYSA-N 1 2 328.368 2.212 20 10 EECDLO COc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(O)c1Cl ZINC001236808341 1305685580 /nfs/dbraw/zinc/68/55/80/1305685580.db2.gz XGMRMAJLLYXXLC-OAHLLOKOSA-N 1 2 326.780 2.129 20 10 EECDLO COc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(O)c1Cl ZINC001236808341 1305685594 /nfs/dbraw/zinc/68/55/94/1305685594.db2.gz XGMRMAJLLYXXLC-OAHLLOKOSA-N 1 2 326.780 2.129 20 10 EECDLO CNc1ncccc1C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001138695102 1314645691 /nfs/dbraw/zinc/64/56/91/1314645691.db2.gz WJVAOCJMAPGLSQ-UHFFFAOYSA-N 1 2 342.443 2.463 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC001209516804 1324954633 /nfs/dbraw/zinc/95/46/33/1324954633.db2.gz PKKVTQDNTBKJOY-GOSISDBHSA-N 1 2 328.412 2.468 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC001209516804 1324954637 /nfs/dbraw/zinc/95/46/37/1324954637.db2.gz PKKVTQDNTBKJOY-GOSISDBHSA-N 1 2 328.412 2.468 20 10 EECDLO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589959962 1349080424 /nfs/dbraw/zinc/08/04/24/1349080424.db2.gz YEKPEUQAEQFJAS-JSGCOSHPSA-N 1 2 345.447 2.412 20 10 EECDLO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590465013 1349340479 /nfs/dbraw/zinc/34/04/79/1349340479.db2.gz GYVDMTBPXPFZIY-UVBJJODRSA-N 1 2 342.447 2.096 20 10 EECDLO CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465735 1349342207 /nfs/dbraw/zinc/34/22/07/1349342207.db2.gz VOEPGQQXZXITQY-FZMZJTMJSA-N 1 2 329.404 2.325 20 10 EECDLO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590471842 1349345814 /nfs/dbraw/zinc/34/58/14/1349345814.db2.gz ORBYVKRXABJVCY-LZWOXQAQSA-N 1 2 329.404 2.181 20 10 EECDLO Oc1cccc(F)c1C[N@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001137836281 1372281150 /nfs/dbraw/zinc/28/11/50/1372281150.db2.gz XSTYAYILKBKHJQ-CQSZACIVSA-N 1 2 341.390 2.257 20 10 EECDLO Oc1cccc(F)c1C[N@@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001137836281 1372281155 /nfs/dbraw/zinc/28/11/55/1372281155.db2.gz XSTYAYILKBKHJQ-CQSZACIVSA-N 1 2 341.390 2.257 20 10 EECDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001137835554 1372281478 /nfs/dbraw/zinc/28/14/78/1372281478.db2.gz IVVBAYLBSWPMCY-XGWLTEMNSA-N 1 2 336.407 2.035 20 10 EECDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001137835554 1372281482 /nfs/dbraw/zinc/28/14/82/1372281482.db2.gz IVVBAYLBSWPMCY-XGWLTEMNSA-N 1 2 336.407 2.035 20 10 EECDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](CC)CO1 ZINC000844386692 789056231 /nfs/dbraw/zinc/05/62/31/789056231.db2.gz JMLUXGOJUSEMMH-FUHWJXTLSA-N 1 2 333.476 2.258 20 10 EECDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](CC)CO1 ZINC000844386692 789056242 /nfs/dbraw/zinc/05/62/42/789056242.db2.gz JMLUXGOJUSEMMH-FUHWJXTLSA-N 1 2 333.476 2.258 20 10 EECDLO O=C1CCCN1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715768458 795500992 /nfs/dbraw/zinc/50/09/92/795500992.db2.gz DGMGCCGUKSQJPG-UHFFFAOYSA-N 1 2 331.185 2.006 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000093528342 237046977 /nfs/dbraw/zinc/04/69/77/237046977.db2.gz QZLACRHAHZPSCF-LBPRGKRZSA-N 1 2 346.221 2.011 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000093528342 237046982 /nfs/dbraw/zinc/04/69/82/237046982.db2.gz QZLACRHAHZPSCF-LBPRGKRZSA-N 1 2 346.221 2.011 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000097653831 237064181 /nfs/dbraw/zinc/06/41/81/237064181.db2.gz SBWKVPXUMGXRIS-MRXNPFEDSA-N 1 2 331.460 2.076 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC[S@@]1=O ZINC000277727779 463930140 /nfs/dbraw/zinc/93/01/40/463930140.db2.gz SUGXKPIVUZGAIS-MGNBDDOMSA-N 1 2 332.263 2.498 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[S@@]1=O ZINC000277727779 463930145 /nfs/dbraw/zinc/93/01/45/463930145.db2.gz SUGXKPIVUZGAIS-MGNBDDOMSA-N 1 2 332.263 2.498 20 10 EECDLO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1cccc(Cl)c1O ZINC000287889706 464025001 /nfs/dbraw/zinc/02/50/01/464025001.db2.gz YYNZXVYQWIQLBR-CYBMUJFWSA-N 1 2 334.869 2.414 20 10 EECDLO CN1CC[NH+](Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2)CC1 ZINC000262655832 464037247 /nfs/dbraw/zinc/03/72/47/464037247.db2.gz UMXJKNHDUOFLHM-UHFFFAOYSA-N 1 2 338.455 2.197 20 10 EECDLO CCCN1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)CC1=O ZINC000189215529 464457591 /nfs/dbraw/zinc/45/75/91/464457591.db2.gz OMCVLFFOARJKKP-UHFFFAOYSA-N 1 2 326.824 2.499 20 10 EECDLO CCCN1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)CC1=O ZINC000189215529 464457596 /nfs/dbraw/zinc/45/75/96/464457596.db2.gz OMCVLFFOARJKKP-UHFFFAOYSA-N 1 2 326.824 2.499 20 10 EECDLO COc1cc(Cl)cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1O ZINC000184679992 465017767 /nfs/dbraw/zinc/01/77/67/465017767.db2.gz QQNLDUKBLGNHBQ-ZDUSSCGKSA-N 1 2 345.848 2.206 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1O ZINC000184679992 465017770 /nfs/dbraw/zinc/01/77/70/465017770.db2.gz QQNLDUKBLGNHBQ-ZDUSSCGKSA-N 1 2 345.848 2.206 20 10 EECDLO CN(C)c1ccc(CNc2[nH+]cnc(-n3cccn3)c2N)cc1F ZINC000301788593 466031843 /nfs/dbraw/zinc/03/18/43/466031843.db2.gz MTRRYGTXZJQKPC-UHFFFAOYSA-N 1 2 327.367 2.062 20 10 EECDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000367733041 466524167 /nfs/dbraw/zinc/52/41/67/466524167.db2.gz ZIDAZMJAFPWJPG-IBGZPJMESA-N 1 2 345.487 2.260 20 10 EECDLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000367733041 466524176 /nfs/dbraw/zinc/52/41/76/466524176.db2.gz ZIDAZMJAFPWJPG-IBGZPJMESA-N 1 2 345.487 2.260 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)cc1 ZINC000374823482 466753150 /nfs/dbraw/zinc/75/31/50/466753150.db2.gz UZPCFEKDRJMLAT-AWEZNQCLSA-N 1 2 329.448 2.235 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)cc1 ZINC000777634652 577483698 /nfs/dbraw/zinc/48/36/98/577483698.db2.gz SUJKLTGRTZNQEJ-IBGZPJMESA-N 1 2 343.427 2.385 20 10 EECDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000769764582 577583792 /nfs/dbraw/zinc/58/37/92/577583792.db2.gz COIRNKBJGGTTQG-VSKVDJIOSA-N 1 2 327.384 2.251 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)c1O ZINC000754735765 577811721 /nfs/dbraw/zinc/81/17/21/577811721.db2.gz BIFMVAYYLOYRMH-HNNXBMFYSA-N 1 2 332.425 2.444 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CCNC(=O)[C@@H]2c2cccs2)c1O ZINC000754735765 577811722 /nfs/dbraw/zinc/81/17/22/577811722.db2.gz BIFMVAYYLOYRMH-HNNXBMFYSA-N 1 2 332.425 2.444 20 10 EECDLO C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cc([N+](=O)[O-])ccc1O ZINC000757662692 577862137 /nfs/dbraw/zinc/86/21/37/577862137.db2.gz WFDYBQBIIYKIFC-NSHDSACASA-N 1 2 341.367 2.437 20 10 EECDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1c(O)cccc1Br ZINC000898547851 693367311 /nfs/dbraw/zinc/36/73/11/693367311.db2.gz LMUBZBCNVYJQBM-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000898547851 693367315 /nfs/dbraw/zinc/36/73/15/693367315.db2.gz LMUBZBCNVYJQBM-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876659487 1199712479 /nfs/dbraw/zinc/71/24/79/1199712479.db2.gz YIYHUODULZTZHT-UHFFFAOYSA-N 1 2 334.460 2.421 20 10 EECDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876659487 1199712484 /nfs/dbraw/zinc/71/24/84/1199712484.db2.gz YIYHUODULZTZHT-UHFFFAOYSA-N 1 2 334.460 2.421 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnc(C)cn3)CC2)c(OC)c1 ZINC000877708737 1200046892 /nfs/dbraw/zinc/04/68/92/1200046892.db2.gz UZONATHANUXPCT-UHFFFAOYSA-N 1 2 328.416 2.124 20 10 EECDLO COc1cccc(C[NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000870157975 1200523241 /nfs/dbraw/zinc/52/32/41/1200523241.db2.gz VUJRFXKHYLHTJU-UHFFFAOYSA-N 1 2 342.395 2.064 20 10 EECDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cc(F)cc(F)c2O)no1 ZINC000883121287 1202016133 /nfs/dbraw/zinc/01/61/33/1202016133.db2.gz CTNMZVCLDOMHMD-UHFFFAOYSA-N 1 2 326.299 2.470 20 10 EECDLO CC(=O)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000133278032 1202186418 /nfs/dbraw/zinc/18/64/18/1202186418.db2.gz URAXJKAOLWANRG-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO CC(=O)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000133278032 1202186419 /nfs/dbraw/zinc/18/64/19/1202186419.db2.gz URAXJKAOLWANRG-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO COc1ccc(N2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)cc1 ZINC001274791640 1205163800 /nfs/dbraw/zinc/16/38/00/1205163800.db2.gz VZEXUEIFBTZPMR-IBGZPJMESA-N 1 2 340.427 2.021 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)cc1 ZINC001096641703 1243032058 /nfs/dbraw/zinc/03/20/58/1243032058.db2.gz ZOJFJMXPWCGLRQ-RDBSUJKOSA-N 1 2 333.367 2.154 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)cc1 ZINC001096641703 1243032061 /nfs/dbraw/zinc/03/20/61/1243032061.db2.gz ZOJFJMXPWCGLRQ-RDBSUJKOSA-N 1 2 333.367 2.154 20 10 EECDLO Oc1ccc(Br)cc1C[NH+]1CCN(c2ccncn2)CC1 ZINC001203650448 1279336988 /nfs/dbraw/zinc/33/69/88/1279336988.db2.gz TUJRNRORZZUUTM-UHFFFAOYSA-N 1 2 349.232 2.267 20 10 EECDLO CCOC(=O)CN(CCC[NH3+])Cc1cc(Cl)cc(Cl)c1O ZINC001236306173 1305556938 /nfs/dbraw/zinc/55/69/38/1305556938.db2.gz PZTZMGZSOHKXFF-UHFFFAOYSA-N 1 2 335.231 2.413 20 10 EECDLO COc1ccc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)c(O)c1Cl ZINC001236818307 1305689796 /nfs/dbraw/zinc/68/97/96/1305689796.db2.gz LXJOOHZOXCYFAT-GFCCVEGCSA-N 1 2 335.791 2.498 20 10 EECDLO Cn1nncc1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001238162311 1306258391 /nfs/dbraw/zinc/25/83/91/1306258391.db2.gz AFLKVIGYCPRZLX-UHFFFAOYSA-N 1 2 341.337 2.036 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001139127171 1314708087 /nfs/dbraw/zinc/70/80/87/1314708087.db2.gz FZIPEWZDRMSSTL-HUUCEWRRSA-N 1 2 342.395 2.002 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001139127171 1314708089 /nfs/dbraw/zinc/70/80/89/1314708089.db2.gz FZIPEWZDRMSSTL-HUUCEWRRSA-N 1 2 342.395 2.002 20 10 EECDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc3c(cn1)OCCO3)CCC2 ZINC001143069897 1315852056 /nfs/dbraw/zinc/85/20/56/1315852056.db2.gz ZRWWWAWIMASTPR-UHFFFAOYSA-N 1 2 328.368 2.212 20 10 EECDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc3c(cn1)OCCO3)CCC2 ZINC001143069897 1315852060 /nfs/dbraw/zinc/85/20/60/1315852060.db2.gz ZRWWWAWIMASTPR-UHFFFAOYSA-N 1 2 328.368 2.212 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2CC ZINC001203878076 1321981307 /nfs/dbraw/zinc/98/13/07/1321981307.db2.gz PKTNUNDOONAPDU-CQSZACIVSA-N 1 2 331.416 2.450 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2CC ZINC001203878076 1321981310 /nfs/dbraw/zinc/98/13/10/1321981310.db2.gz PKTNUNDOONAPDU-CQSZACIVSA-N 1 2 331.416 2.450 20 10 EECDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001276539076 1324009545 /nfs/dbraw/zinc/00/95/45/1324009545.db2.gz MBGCOVVLHYDPNZ-PHIMTYICSA-N 1 2 347.312 2.062 20 10 EECDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001276539076 1324009550 /nfs/dbraw/zinc/00/95/50/1324009550.db2.gz MBGCOVVLHYDPNZ-PHIMTYICSA-N 1 2 347.312 2.062 20 10 EECDLO COc1ccc(N2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000847366334 1337983895 /nfs/dbraw/zinc/98/38/95/1337983895.db2.gz UKEMPRHANOSPJV-OAHLLOKOSA-N 1 2 342.443 2.336 20 10 EECDLO COc1ccc(N2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000847366334 1337983898 /nfs/dbraw/zinc/98/38/98/1337983898.db2.gz UKEMPRHANOSPJV-OAHLLOKOSA-N 1 2 342.443 2.336 20 10 EECDLO CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590462893 1349338672 /nfs/dbraw/zinc/33/86/72/1349338672.db2.gz GMEFPCSPXJNGOS-LSDHHAIUSA-N 1 2 333.436 2.410 20 10 EECDLO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603656308 1350735792 /nfs/dbraw/zinc/73/57/92/1350735792.db2.gz GCJAAVKBEISRNF-RYUDHWBXSA-N 1 2 331.420 2.428 20 10 EECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001607110823 1351422363 /nfs/dbraw/zinc/42/23/63/1351422363.db2.gz JKMIYYTYVZJHPV-AWEZNQCLSA-N 1 2 341.802 2.483 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(COC(=O)N3)CC2)c1O ZINC000784461529 1371409142 /nfs/dbraw/zinc/40/91/42/1371409142.db2.gz APQUJGPMHLGSQM-UHFFFAOYSA-N 1 2 338.791 2.323 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(OC)c1 ZINC001138392062 1372390586 /nfs/dbraw/zinc/39/05/86/1372390586.db2.gz OJZMMPYUDHIEHR-IYBDPMFKSA-N 1 2 332.444 2.189 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(OC)c1 ZINC001138392062 1372390589 /nfs/dbraw/zinc/39/05/89/1372390589.db2.gz OJZMMPYUDHIEHR-IYBDPMFKSA-N 1 2 332.444 2.189 20 10 EECDLO CCN(CC)C(=O)C[N@H+](C)Cc1cccc(Br)c1O ZINC000155102241 770324152 /nfs/dbraw/zinc/32/41/52/770324152.db2.gz KJLNEJHZLOHSIC-UHFFFAOYSA-N 1 2 329.238 2.455 20 10 EECDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000155102241 770324161 /nfs/dbraw/zinc/32/41/61/770324161.db2.gz KJLNEJHZLOHSIC-UHFFFAOYSA-N 1 2 329.238 2.455 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Br)cc(F)c1O ZINC000840832370 783024814 /nfs/dbraw/zinc/02/48/14/783024814.db2.gz CDIMLHJNHMZRKK-SFYZADRCSA-N 1 2 331.185 2.081 20 10 EECDLO Oc1cccc(Br)c1C[N@@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001236982700 778572295 /nfs/dbraw/zinc/57/22/95/778572295.db2.gz WQFPKQPURYLCKU-LLVKDONJSA-N 1 2 339.155 2.491 20 10 EECDLO Oc1cccc(Br)c1C[N@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001236982700 778572299 /nfs/dbraw/zinc/57/22/99/778572299.db2.gz WQFPKQPURYLCKU-LLVKDONJSA-N 1 2 339.155 2.491 20 10 EECDLO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(C(=O)[O-])ccc1O ZINC001593362081 995029360 /nfs/dbraw/zinc/02/93/60/995029360.db2.gz CUUZOWIHGFZIHO-GFCCVEGCSA-N 1 2 342.399 2.068 20 10 EECDLO Oc1ccc(Br)cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000127917274 462594037 /nfs/dbraw/zinc/59/40/37/462594037.db2.gz JAVGJLUPPLKSFW-UHFFFAOYSA-N 1 2 349.232 2.267 20 10 EECDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000129212896 462695171 /nfs/dbraw/zinc/69/51/71/462695171.db2.gz YLAXZTOYWOSSDN-UHFFFAOYSA-N 1 2 346.519 2.129 20 10 EECDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000129212896 462695174 /nfs/dbraw/zinc/69/51/74/462695174.db2.gz YLAXZTOYWOSSDN-UHFFFAOYSA-N 1 2 346.519 2.129 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000120292849 462982451 /nfs/dbraw/zinc/98/24/51/462982451.db2.gz LGVCMHFBVVXZKA-UHFFFAOYSA-N 1 2 348.878 2.493 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000120292849 462982455 /nfs/dbraw/zinc/98/24/55/462982455.db2.gz LGVCMHFBVVXZKA-UHFFFAOYSA-N 1 2 348.878 2.493 20 10 EECDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cccc(O)c1O ZINC000280736319 464240660 /nfs/dbraw/zinc/24/06/60/464240660.db2.gz VUGVLDMXMRZGCI-UHFFFAOYSA-N 1 2 329.278 2.129 20 10 EECDLO COc1cc[nH+]cc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294374373 464483432 /nfs/dbraw/zinc/48/34/32/464483432.db2.gz WESZWKBLDFXSBI-UHFFFAOYSA-N 1 2 328.416 2.498 20 10 EECDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000492537790 467666936 /nfs/dbraw/zinc/66/69/36/467666936.db2.gz RMXFLMQBHPILAB-FPLPWBNLSA-N 1 2 326.400 2.408 20 10 EECDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000775201170 577432618 /nfs/dbraw/zinc/43/26/18/577432618.db2.gz CHAHHVLSQBIMLA-NWDGAFQWSA-N 1 2 347.814 2.031 20 10 EECDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000775201170 577432619 /nfs/dbraw/zinc/43/26/19/577432619.db2.gz CHAHHVLSQBIMLA-NWDGAFQWSA-N 1 2 347.814 2.031 20 10 EECDLO CCOc1ccc(O)c(C[N@H+](C)[C@@H](COC(C)C)C(=O)OC)c1 ZINC000770354987 577594470 /nfs/dbraw/zinc/59/44/70/577594470.db2.gz KLIPAAOMBDYPRJ-HNNXBMFYSA-N 1 2 325.405 2.189 20 10 EECDLO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](COC(C)C)C(=O)OC)c1 ZINC000770354987 577594471 /nfs/dbraw/zinc/59/44/71/577594471.db2.gz KLIPAAOMBDYPRJ-HNNXBMFYSA-N 1 2 325.405 2.189 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)C[C@](C)(O)C3CC3)CC2)cc1 ZINC000755841815 577832790 /nfs/dbraw/zinc/83/27/90/577832790.db2.gz PXJPPDNPOWPTHX-IBGZPJMESA-N 1 2 332.444 2.331 20 10 EECDLO CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756356152 577842625 /nfs/dbraw/zinc/84/26/25/577842625.db2.gz ZYTVQDDIUUCROA-DZGCQCFKSA-N 1 2 337.420 2.308 20 10 EECDLO CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756356152 577842626 /nfs/dbraw/zinc/84/26/26/577842626.db2.gz ZYTVQDDIUUCROA-DZGCQCFKSA-N 1 2 337.420 2.308 20 10 EECDLO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756779238 577850146 /nfs/dbraw/zinc/85/01/46/577850146.db2.gz RRKAHAQWBCWXBG-IUCAKERBSA-N 1 2 336.201 2.342 20 10 EECDLO COc1ccc(N2CCCN(C(=O)CCCn3cc[nH+]c3)CC2)cc1 ZINC000748627249 577965024 /nfs/dbraw/zinc/96/50/24/577965024.db2.gz UVMBIXDFERHAOV-UHFFFAOYSA-N 1 2 342.443 2.411 20 10 EECDLO COCCOC[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883018672 684641655 /nfs/dbraw/zinc/64/16/55/684641655.db2.gz LKYOIVBXROTVKR-VIFPVBQESA-N 1 2 336.201 2.435 20 10 EECDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C(=O)N1C ZINC000895921208 684780055 /nfs/dbraw/zinc/78/00/55/684780055.db2.gz OBVRBUPAEHBFLW-KFWWJZLASA-N 1 2 349.450 2.102 20 10 EECDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C(=O)N1C ZINC000895921208 684780057 /nfs/dbraw/zinc/78/00/57/684780057.db2.gz OBVRBUPAEHBFLW-KFWWJZLASA-N 1 2 349.450 2.102 20 10 EECDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CN(C)CCO1 ZINC000883051984 1202003581 /nfs/dbraw/zinc/00/35/81/1202003581.db2.gz VIWFBZMYLIGGJS-TVQRCGJNSA-N 1 2 347.228 2.103 20 10 EECDLO CCOC1CC(O)(C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883104477 1202012862 /nfs/dbraw/zinc/01/28/62/1202012862.db2.gz AMCBFYZCUWJQNA-UHFFFAOYSA-N 1 2 348.212 2.313 20 10 EECDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)c(F)cc1O ZINC001275773217 1205520501 /nfs/dbraw/zinc/52/05/01/1205520501.db2.gz HIIKKTCCVOZMSO-BETUJISGSA-N 1 2 339.386 2.437 20 10 EECDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001275773217 1205520502 /nfs/dbraw/zinc/52/05/02/1205520502.db2.gz HIIKKTCCVOZMSO-BETUJISGSA-N 1 2 339.386 2.437 20 10 EECDLO COC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000802310570 1237245268 /nfs/dbraw/zinc/24/52/68/1237245268.db2.gz ZRSDSZMGIKIBPU-VXNVDRBHSA-N 1 2 338.629 2.466 20 10 EECDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](F)(CO)C2)ccc1N1CCCCC1 ZINC000802660800 1237947261 /nfs/dbraw/zinc/94/72/61/1237947261.db2.gz WQGVFMQPIUCVTG-KRWDZBQOSA-N 1 2 337.395 2.491 20 10 EECDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](F)(CO)C2)ccc1N1CCCCC1 ZINC000802660800 1237947270 /nfs/dbraw/zinc/94/72/70/1237947270.db2.gz WQGVFMQPIUCVTG-KRWDZBQOSA-N 1 2 337.395 2.491 20 10 EECDLO C[N@H+](Cc1cccc(I)c1O)CC1(C)COC1 ZINC001237778826 1306086159 /nfs/dbraw/zinc/08/61/59/1306086159.db2.gz BSWXHYREYUYECW-UHFFFAOYSA-N 1 2 347.196 2.465 20 10 EECDLO C[N@@H+](Cc1cccc(I)c1O)CC1(C)COC1 ZINC001237778826 1306086171 /nfs/dbraw/zinc/08/61/71/1306086171.db2.gz BSWXHYREYUYECW-UHFFFAOYSA-N 1 2 347.196 2.465 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000855020926 1293034911 /nfs/dbraw/zinc/03/49/11/1293034911.db2.gz XTGOVQDWVYEOLU-IAGOWNOFSA-N 1 2 342.443 2.127 20 10 EECDLO C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@@H](C(N)=O)C1 ZINC000862332493 1295795835 /nfs/dbraw/zinc/79/58/35/1295795835.db2.gz ISRYWAAHZHXBQJ-JOYOIKCWSA-N 1 2 327.222 2.241 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@@H](C(N)=O)C1 ZINC000862332493 1295795846 /nfs/dbraw/zinc/79/58/46/1295795846.db2.gz ISRYWAAHZHXBQJ-JOYOIKCWSA-N 1 2 327.222 2.241 20 10 EECDLO CC(C)(C)NC(=O)[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccccc1O ZINC001277441452 1303030327 /nfs/dbraw/zinc/03/03/27/1303030327.db2.gz KQDUWZDNPQEJCA-INIZCTEOSA-N 1 2 342.443 2.278 20 10 EECDLO CC(C)(C)NC(=O)[C@@H]1CCn2nccc2C[N@H+]1Cc1ccccc1O ZINC001277441452 1303030330 /nfs/dbraw/zinc/03/03/30/1303030330.db2.gz KQDUWZDNPQEJCA-INIZCTEOSA-N 1 2 342.443 2.278 20 10 EECDLO C[C@H](NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F)c1ncc[nH]1 ZINC001277484515 1303614182 /nfs/dbraw/zinc/61/41/82/1303614182.db2.gz QGLPOMNHCUBWGS-IUUKEHGRSA-N 1 2 344.390 2.096 20 10 EECDLO C[C@H](NC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1F)c1ncc[nH]1 ZINC001277484515 1303614185 /nfs/dbraw/zinc/61/41/85/1303614185.db2.gz QGLPOMNHCUBWGS-IUUKEHGRSA-N 1 2 344.390 2.096 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC001231866573 1303933934 /nfs/dbraw/zinc/93/39/34/1303933934.db2.gz AINPZJKKCMRMGS-ZDUSSCGKSA-N 1 2 339.741 2.480 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CCOC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC001231866573 1303933939 /nfs/dbraw/zinc/93/39/39/1303933939.db2.gz AINPZJKKCMRMGS-ZDUSSCGKSA-N 1 2 339.741 2.480 20 10 EECDLO Oc1cc(C[NH+]2CCN(c3nccc4occc43)CC2)cc(O)c1O ZINC001233012561 1304327953 /nfs/dbraw/zinc/32/79/53/1304327953.db2.gz KDRCVKFJZCLZLT-UHFFFAOYSA-N 1 2 341.367 2.267 20 10 EECDLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3cccc(C(F)(F)F)c3O)[C@H]2C1 ZINC001233416487 1304462422 /nfs/dbraw/zinc/46/24/22/1304462422.db2.gz KCPSUWLYMOYHDE-BPNCWPANSA-N 1 2 331.334 2.383 20 10 EECDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3cccc(C(F)(F)F)c3O)[C@H]2C1 ZINC001233416487 1304462424 /nfs/dbraw/zinc/46/24/24/1304462424.db2.gz KCPSUWLYMOYHDE-BPNCWPANSA-N 1 2 331.334 2.383 20 10 EECDLO C[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234746250 1305017604 /nfs/dbraw/zinc/01/76/04/1305017604.db2.gz HUUXAVNQSJHVAF-SNVBAGLBSA-N 1 2 343.335 2.146 20 10 EECDLO C[N@H+]1CC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234746250 1305017609 /nfs/dbraw/zinc/01/76/09/1305017609.db2.gz HUUXAVNQSJHVAF-SNVBAGLBSA-N 1 2 343.335 2.146 20 10 EECDLO CCn1nnc2c1CC[N@H+](Cc1c(C)cc(OC)cc1O)[C@H]2COC ZINC001236808114 1305682905 /nfs/dbraw/zinc/68/29/05/1305682905.db2.gz KKKWEQJOHPLLMI-INIZCTEOSA-N 1 2 346.431 2.066 20 10 EECDLO CCn1nnc2c1CC[N@@H+](Cc1c(C)cc(OC)cc1O)[C@H]2COC ZINC001236808114 1305682909 /nfs/dbraw/zinc/68/29/09/1305682909.db2.gz KKKWEQJOHPLLMI-INIZCTEOSA-N 1 2 346.431 2.066 20 10 EECDLO CCN1C[C@@H](C)[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1=O ZINC001237063268 1305782738 /nfs/dbraw/zinc/78/27/38/1305782738.db2.gz UHYXAXJARBTXPY-LLVKDONJSA-N 1 2 346.349 2.386 20 10 EECDLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1=O ZINC001237063268 1305782744 /nfs/dbraw/zinc/78/27/44/1305782744.db2.gz UHYXAXJARBTXPY-LLVKDONJSA-N 1 2 346.349 2.386 20 10 EECDLO O=C1COCCN1C1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237802220 1306098957 /nfs/dbraw/zinc/09/89/57/1306098957.db2.gz LEEMAANNXADCLA-UHFFFAOYSA-N 1 2 342.798 2.008 20 10 EECDLO Oc1cc(Cl)c(F)cc1CN1CCC([NH+]2CCOCC2)CC1 ZINC001237948037 1306155986 /nfs/dbraw/zinc/15/59/86/1306155986.db2.gz YRCWJUBMAYNRKI-UHFFFAOYSA-N 1 2 328.815 2.481 20 10 EECDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001237948037 1306156003 /nfs/dbraw/zinc/15/60/03/1306156003.db2.gz YRCWJUBMAYNRKI-UHFFFAOYSA-N 1 2 328.815 2.481 20 10 EECDLO Cc1c(O)ccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1O ZINC001140749396 1314955214 /nfs/dbraw/zinc/95/52/14/1314955214.db2.gz XZSSWHNTZBQCLQ-UHFFFAOYSA-N 1 2 332.425 2.426 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(N3CCC(F)(F)CC3)C2)c(OC)c1 ZINC001141029170 1315020140 /nfs/dbraw/zinc/02/01/40/1315020140.db2.gz LCYHJKZHBGVDQO-UHFFFAOYSA-N 1 2 342.386 2.325 20 10 EECDLO COc1cc(O)c(CN2CC([NH+]3CCC(F)(F)CC3)C2)c(OC)c1 ZINC001141029170 1315020145 /nfs/dbraw/zinc/02/01/45/1315020145.db2.gz LCYHJKZHBGVDQO-UHFFFAOYSA-N 1 2 342.386 2.325 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001203670442 1321936863 /nfs/dbraw/zinc/93/68/63/1321936863.db2.gz QVOVNCDORWCHDS-KBPBESRZSA-N 1 2 340.395 2.448 20 10 EECDLO COc1ccc(O)c(C[N@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001203670442 1321936866 /nfs/dbraw/zinc/93/68/66/1321936866.db2.gz QVOVNCDORWCHDS-KBPBESRZSA-N 1 2 340.395 2.448 20 10 EECDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204329215 1322113421 /nfs/dbraw/zinc/11/34/21/1322113421.db2.gz HHXAHFSQWPZDQC-SFHVURJKSA-N 1 2 332.444 2.441 20 10 EECDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204329215 1322113426 /nfs/dbraw/zinc/11/34/26/1322113426.db2.gz HHXAHFSQWPZDQC-SFHVURJKSA-N 1 2 332.444 2.441 20 10 EECDLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001204344728 1322120023 /nfs/dbraw/zinc/12/00/23/1322120023.db2.gz XSVBZQJEQCMNFX-OTYXRUKQSA-N 1 2 335.322 2.242 20 10 EECDLO COc1cc(C[N@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)cc(O)c1O ZINC001204344728 1322120028 /nfs/dbraw/zinc/12/00/28/1322120028.db2.gz XSVBZQJEQCMNFX-OTYXRUKQSA-N 1 2 335.322 2.242 20 10 EECDLO CCn1cc(CN[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC001352750541 1338056145 /nfs/dbraw/zinc/05/61/45/1338056145.db2.gz OOKSTAVWITUYLZ-OAHLLOKOSA-N 1 2 349.866 2.411 20 10 EECDLO CCn1cc(CN[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC001352750541 1338056148 /nfs/dbraw/zinc/05/61/48/1338056148.db2.gz OOKSTAVWITUYLZ-OAHLLOKOSA-N 1 2 349.866 2.411 20 10 EECDLO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603656494 1350735830 /nfs/dbraw/zinc/73/58/30/1350735830.db2.gz JBOXMDPOEBKDQP-NSHDSACASA-N 1 2 329.404 2.182 20 10 EECDLO CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056929 1350842796 /nfs/dbraw/zinc/84/27/96/1350842796.db2.gz YAHUFBMTENAUHJ-BYCMXARLSA-N 1 2 329.404 2.181 20 10 EECDLO O=C1CN(Cc2ccccc2O)C(=O)N1CCCNc1cccc[nH+]1 ZINC000819164650 785440847 /nfs/dbraw/zinc/44/08/47/785440847.db2.gz LMANFAWYFFUZAK-UHFFFAOYSA-N 1 2 340.383 2.054 20 10 EECDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000708169337 786764360 /nfs/dbraw/zinc/76/43/60/786764360.db2.gz GKFWWTNIAJAUKK-GFCCVEGCSA-N 1 2 336.613 2.049 20 10 EECDLO CCOC(=O)C[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccccc1O ZINC000823581504 787806309 /nfs/dbraw/zinc/80/63/09/787806309.db2.gz LFCNOPHHMVCSGE-OAHLLOKOSA-N 1 2 348.443 2.158 20 10 EECDLO CCOC(=O)C[N@@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccccc1O ZINC000823581504 787806319 /nfs/dbraw/zinc/80/63/19/787806319.db2.gz LFCNOPHHMVCSGE-OAHLLOKOSA-N 1 2 348.443 2.158 20 10 EECDLO COc1c(O)c(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000825025250 788402025 /nfs/dbraw/zinc/40/20/25/788402025.db2.gz ZVIKMOYBKYKEMD-HSZRJFAPSA-N 1 2 342.417 2.042 20 10 EECDLO COc1c(O)c(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000825025250 788402028 /nfs/dbraw/zinc/40/20/28/788402028.db2.gz ZVIKMOYBKYKEMD-HSZRJFAPSA-N 1 2 342.417 2.042 20 10 EECDLO C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)n1cc[nH+]c1 ZINC000844341849 789013718 /nfs/dbraw/zinc/01/37/18/789013718.db2.gz SKUDFIBYUROCTN-AWEZNQCLSA-N 1 2 346.406 2.126 20 10 EECDLO CSC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715759327 795495103 /nfs/dbraw/zinc/49/51/03/795495103.db2.gz LSGHIAOHNREFAY-LBPRGKRZSA-N 1 2 338.242 2.497 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC000789581095 808071679 /nfs/dbraw/zinc/07/16/79/808071679.db2.gz OKUJZAQZDNZLGU-HNNXBMFYSA-N 1 2 327.808 2.494 20 10 EECDLO C[N@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000132472913 462858516 /nfs/dbraw/zinc/85/85/16/462858516.db2.gz RZLSPLJQZFZPRI-UHFFFAOYSA-N 1 2 339.027 2.341 20 10 EECDLO C[N@@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000132472913 462858522 /nfs/dbraw/zinc/85/85/22/462858522.db2.gz RZLSPLJQZFZPRI-UHFFFAOYSA-N 1 2 339.027 2.341 20 10 EECDLO CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(=O)NCC1CCCC1 ZINC000136044793 463214618 /nfs/dbraw/zinc/21/46/18/463214618.db2.gz ZNIVGXCGXZKDGA-UHFFFAOYSA-N 1 2 335.404 2.475 20 10 EECDLO CC[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000171964277 463959554 /nfs/dbraw/zinc/95/95/54/463959554.db2.gz IQMLPWYKSLGSKH-MAUKXSAKSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000171964277 463959558 /nfs/dbraw/zinc/95/95/58/463959558.db2.gz IQMLPWYKSLGSKH-MAUKXSAKSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H](C)[S@@]1=O ZINC000289254249 464071147 /nfs/dbraw/zinc/07/11/47/464071147.db2.gz FGRQOFGPFFRZNI-GHIWOLQHSA-N 1 2 327.446 2.141 20 10 EECDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H](C)[S@@]1=O ZINC000289254249 464071156 /nfs/dbraw/zinc/07/11/56/464071156.db2.gz FGRQOFGPFFRZNI-GHIWOLQHSA-N 1 2 327.446 2.141 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCNC(=O)C2(C)C)c1O ZINC000180050798 464231709 /nfs/dbraw/zinc/23/17/09/464231709.db2.gz OFPRHAHUUCVXNU-UHFFFAOYSA-N 1 2 327.222 2.174 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCNC(=O)C2(C)C)c1O ZINC000180050798 464231715 /nfs/dbraw/zinc/23/17/15/464231715.db2.gz OFPRHAHUUCVXNU-UHFFFAOYSA-N 1 2 327.222 2.174 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](COC(C)C)C2)cc1OC ZINC000372116788 466170237 /nfs/dbraw/zinc/17/02/37/466170237.db2.gz OBHSYNIILJFREJ-CQSZACIVSA-N 1 2 325.405 2.035 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](COC(C)C)C2)cc1OC ZINC000372116788 466170246 /nfs/dbraw/zinc/17/02/46/466170246.db2.gz OBHSYNIILJFREJ-CQSZACIVSA-N 1 2 325.405 2.035 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1F ZINC000374305849 467038715 /nfs/dbraw/zinc/03/87/15/467038715.db2.gz AEUQLLZYURVDKA-SFHVURJKSA-N 1 2 327.403 2.476 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1F ZINC000374305849 467038719 /nfs/dbraw/zinc/03/87/19/467038719.db2.gz AEUQLLZYURVDKA-SFHVURJKSA-N 1 2 327.403 2.476 20 10 EECDLO C[C@H]1CN(c2ccc(CNC(=O)C3=CC(=O)CS3)c[nH+]2)CCO1 ZINC000731870228 577128926 /nfs/dbraw/zinc/12/89/26/577128926.db2.gz VOAPYTHJYMWZNJ-NSHDSACASA-N 1 2 333.413 2.004 20 10 EECDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775206717 577432748 /nfs/dbraw/zinc/43/27/48/577432748.db2.gz YBHAEEACWNZHIX-FZMZJTMJSA-N 1 2 347.814 2.031 20 10 EECDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775206717 577432749 /nfs/dbraw/zinc/43/27/49/577432749.db2.gz YBHAEEACWNZHIX-FZMZJTMJSA-N 1 2 347.814 2.031 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N(CCO)CC3CC3)CC2)cc1 ZINC000745796270 577918761 /nfs/dbraw/zinc/91/87/61/577918761.db2.gz PTRAJAQKVCSPEI-UHFFFAOYSA-N 1 2 347.459 2.078 20 10 EECDLO COc1ccc(C[NH2+][C@H](C(=O)OC(C)C)C(C)C)c(O)c1OC ZINC000894723443 683059646 /nfs/dbraw/zinc/05/96/46/683059646.db2.gz OSFVNSMKPNPACZ-AWEZNQCLSA-N 1 2 325.405 2.475 20 10 EECDLO OC[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)C[C@H]12 ZINC000894836009 683167652 /nfs/dbraw/zinc/16/76/52/683167652.db2.gz GSKQVPQUOFBKPP-URLYPYJESA-N 1 2 332.625 2.478 20 10 EECDLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)C[C@H]12 ZINC000894836009 683167654 /nfs/dbraw/zinc/16/76/54/683167654.db2.gz GSKQVPQUOFBKPP-URLYPYJESA-N 1 2 332.625 2.478 20 10 EECDLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1Cn1cccn1 ZINC000873129307 1198508001 /nfs/dbraw/zinc/50/80/01/1198508001.db2.gz MDMOKPFCMHUINV-UHFFFAOYSA-N 1 2 338.415 2.225 20 10 EECDLO CCn1ncnc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000876945558 1199826390 /nfs/dbraw/zinc/82/63/90/1199826390.db2.gz FDBRXWGTUMDHDJ-OKILXGFUSA-N 1 2 347.438 2.341 20 10 EECDLO O=c1cccc(CN2CCC23C[NH+](Cc2c(O)cccc2F)C3)[nH]1 ZINC001276354013 1213897684 /nfs/dbraw/zinc/89/76/84/1213897684.db2.gz CQKNGIKHIAOYSJ-UHFFFAOYSA-N 1 2 329.375 2.092 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827678996 1248635152 /nfs/dbraw/zinc/63/51/52/1248635152.db2.gz JEKAYJJHRJRGPJ-AWEZNQCLSA-N 1 2 333.819 2.392 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827678996 1248635166 /nfs/dbraw/zinc/63/51/66/1248635166.db2.gz JEKAYJJHRJRGPJ-AWEZNQCLSA-N 1 2 333.819 2.392 20 10 EECDLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000858579857 1294159232 /nfs/dbraw/zinc/15/92/32/1294159232.db2.gz HTBMBUFOZKHCNP-SFYZADRCSA-N 1 2 349.200 2.353 20 10 EECDLO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Br)c(F)cc1O ZINC000858602286 1294164504 /nfs/dbraw/zinc/16/45/04/1294164504.db2.gz VTOMMEAMOJNHHO-ZJUUUORDSA-N 1 2 347.228 2.011 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC001203635693 1321929336 /nfs/dbraw/zinc/92/93/36/1321929336.db2.gz DSJVQMKVPVDWQX-PSOPSSQASA-N 1 2 342.233 2.126 20 10 EECDLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000784063124 1304410244 /nfs/dbraw/zinc/41/02/44/1304410244.db2.gz BSBBHWOPBUATAW-UONOGXRCSA-N 1 2 346.431 2.464 20 10 EECDLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000784063125 1304410450 /nfs/dbraw/zinc/41/04/50/1304410450.db2.gz BSBBHWOPBUATAW-ZIAGYGMSSA-N 1 2 346.431 2.464 20 10 EECDLO CCOC(=O)c1c(C[NH+]2CC(C(=O)OCC)C2)c2ccccc2n1C ZINC001233272553 1304412327 /nfs/dbraw/zinc/41/23/27/1304412327.db2.gz PMPBSKLULIKIKQ-UHFFFAOYSA-N 1 2 344.411 2.350 20 10 EECDLO COc1cc(CN2CCn3c[nH+]cc3C2)c(O)cc1Br ZINC001236757892 1305660914 /nfs/dbraw/zinc/66/09/14/1305660914.db2.gz ZHQWMCSUXGCBCH-UHFFFAOYSA-N 1 2 338.205 2.376 20 10 EECDLO Nc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001120566868 1309613208 /nfs/dbraw/zinc/61/32/08/1309613208.db2.gz SGBOCOLDCXIPPQ-UHFFFAOYSA-N 1 2 325.416 2.263 20 10 EECDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001139672816 1314757126 /nfs/dbraw/zinc/75/71/26/1314757126.db2.gz HGQHQWCYUFACHH-BJWYYQGGSA-N 1 2 332.444 2.213 20 10 EECDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001139672816 1314757130 /nfs/dbraw/zinc/75/71/30/1314757130.db2.gz HGQHQWCYUFACHH-BJWYYQGGSA-N 1 2 332.444 2.213 20 10 EECDLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139670053 1314757322 /nfs/dbraw/zinc/75/73/22/1314757322.db2.gz FUMPYPFPINNYPT-INIZCTEOSA-N 1 2 343.475 2.418 20 10 EECDLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139670053 1314757324 /nfs/dbraw/zinc/75/73/24/1314757324.db2.gz FUMPYPFPINNYPT-INIZCTEOSA-N 1 2 343.475 2.418 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140345285 1314875125 /nfs/dbraw/zinc/87/51/25/1314875125.db2.gz QZHIOYUBQXPDGA-NSHDSACASA-N 1 2 325.792 2.390 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140345285 1314875131 /nfs/dbraw/zinc/87/51/31/1314875131.db2.gz QZHIOYUBQXPDGA-NSHDSACASA-N 1 2 325.792 2.390 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141160793 1315051790 /nfs/dbraw/zinc/05/17/90/1315051790.db2.gz IXUXUQMDKHGXAF-UHFFFAOYSA-N 1 2 326.396 2.364 20 10 EECDLO COC(=O)/C=C/c1cc(C)c[nH+]c1NCCc1cc(O)c(O)cc1O ZINC001157245418 1318516210 /nfs/dbraw/zinc/51/62/10/1318516210.db2.gz ZTAJJPYSAGHXJE-ONEGZZNKSA-N 1 2 344.367 2.348 20 10 EECDLO C[NH+](C)CCc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC001260441313 1319891430 /nfs/dbraw/zinc/89/14/30/1319891430.db2.gz BIIKSGLDZGCPQU-UHFFFAOYSA-N 1 2 346.412 2.128 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC001203635693 1321929335 /nfs/dbraw/zinc/92/93/35/1321929335.db2.gz DSJVQMKVPVDWQX-PSOPSSQASA-N 1 2 342.233 2.126 20 10 EECDLO C[C@]12C[N@H+](Cc3ccc(Cl)cc3O)C[C@@]1(C)CS(=O)(=O)C2 ZINC001308931585 1331609789 /nfs/dbraw/zinc/60/97/89/1331609789.db2.gz ASZACKNPJSWCOM-GASCZTMLSA-N 1 2 329.849 2.302 20 10 EECDLO C[C@]12C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@]1(C)CS(=O)(=O)C2 ZINC001308931585 1331609794 /nfs/dbraw/zinc/60/97/94/1331609794.db2.gz ASZACKNPJSWCOM-GASCZTMLSA-N 1 2 329.849 2.302 20 10 EECDLO COc1c(O)c(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1[N+](=O)[O-] ZINC001308948215 1331609754 /nfs/dbraw/zinc/60/97/54/1331609754.db2.gz DWXSDIPUVQCYPA-CYBMUJFWSA-N 1 2 330.344 2.340 20 10 EECDLO CCOc1ccc(N2CC[NH+](Cc3cc(C(=O)OC)no3)CC2)cc1 ZINC001351155414 1337790498 /nfs/dbraw/zinc/79/04/98/1337790498.db2.gz NLWKFHIGQMTBLU-UHFFFAOYSA-N 1 2 345.399 2.182 20 10 EECDLO CC[C@H]([NH2+]CCNc1ccccn1)c1cccc(-c2nn[nH]n2)c1O ZINC001590470977 1349344899 /nfs/dbraw/zinc/34/48/99/1349344899.db2.gz TVVUDHHRDCEEBQ-AWEZNQCLSA-N 1 2 339.403 2.120 20 10 EECDLO COCCC1(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CCC1 ZINC001605079547 1351074170 /nfs/dbraw/zinc/07/41/70/1351074170.db2.gz GFWFQVIBHGDRIS-LBPRGKRZSA-N 1 2 331.420 2.430 20 10 EECDLO CCOCc1noc2c1C[N@H+](Cc1c(O)cc(OC)cc1OC)CC2 ZINC001141027019 1372741933 /nfs/dbraw/zinc/74/19/33/1372741933.db2.gz KJVWTGJTGGCSOF-UHFFFAOYSA-N 1 2 348.399 2.492 20 10 EECDLO CCOCc1noc2c1C[N@@H+](Cc1c(O)cc(OC)cc1OC)CC2 ZINC001141027019 1372741939 /nfs/dbraw/zinc/74/19/39/1372741939.db2.gz KJVWTGJTGGCSOF-UHFFFAOYSA-N 1 2 348.399 2.492 20 10 EECDLO CCC1(O)CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001590501551 1403881711 /nfs/dbraw/zinc/88/17/11/1403881711.db2.gz XWGOKAMHEJITFV-DLGFLZQMSA-N 1 2 331.420 2.307 20 10 EECDLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000840826642 783020405 /nfs/dbraw/zinc/02/04/05/783020405.db2.gz QWYVVUUHOAHPRJ-CQFDHEJISA-N 1 2 334.185 2.358 20 10 EECDLO CCCC[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000893895662 780295117 /nfs/dbraw/zinc/29/51/17/780295117.db2.gz IRXCHFPGEKNYTR-ZDUSSCGKSA-N 1 2 333.400 2.460 20 10 EECDLO CCCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000893895662 780295123 /nfs/dbraw/zinc/29/51/23/780295123.db2.gz IRXCHFPGEKNYTR-ZDUSSCGKSA-N 1 2 333.400 2.460 20 10 EECDLO COC(=O)[C@@H](C)c1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1 ZINC001168009650 781724305 /nfs/dbraw/zinc/72/43/05/781724305.db2.gz NFZDTXIIJWVEKS-JTQLQIEISA-N 1 2 332.356 2.130 20 10 EECDLO COCCN(CC[NH+](C)C)Cc1cccc(Br)c1O ZINC000809741211 783349680 /nfs/dbraw/zinc/34/96/80/783349680.db2.gz PVRFMOQIENHDLT-UHFFFAOYSA-N 1 2 331.254 2.165 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846107337 790053038 /nfs/dbraw/zinc/05/30/38/790053038.db2.gz HRGGRAKKSVJCLA-SGIREYDYSA-N 1 2 325.380 2.368 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000846441848 790183713 /nfs/dbraw/zinc/18/37/13/790183713.db2.gz DSXCFBQLNCHRHP-OAHLLOKOSA-N 1 2 342.443 2.049 20 10 EECDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000170600257 463680952 /nfs/dbraw/zinc/68/09/52/463680952.db2.gz TUBSYABPTOWLSD-ZDUSSCGKSA-N 1 2 327.384 2.012 20 10 EECDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(O)c1O ZINC000185700448 463863229 /nfs/dbraw/zinc/86/32/29/463863229.db2.gz XFTWVBGJIXGXQO-UHFFFAOYSA-N 1 2 342.395 2.491 20 10 EECDLO CC[C@@H]([NH2+]CCS(=O)(=O)NC)c1cc(Cl)cc(Cl)c1O ZINC000287686008 463968906 /nfs/dbraw/zinc/96/89/06/463968906.db2.gz MYALINQFYURSRR-LLVKDONJSA-N 1 2 341.260 2.289 20 10 EECDLO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000290156962 464109365 /nfs/dbraw/zinc/10/93/65/464109365.db2.gz CZXSTBPXMQRSBV-RMLVOYDJSA-N 1 2 330.340 2.446 20 10 EECDLO C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccccc1O ZINC000291274671 464149540 /nfs/dbraw/zinc/14/95/40/464149540.db2.gz UEHGKCHHZHBMLQ-CQSZACIVSA-N 1 2 325.412 2.497 20 10 EECDLO C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccccc1O ZINC000291274671 464149553 /nfs/dbraw/zinc/14/95/53/464149553.db2.gz UEHGKCHHZHBMLQ-CQSZACIVSA-N 1 2 325.412 2.497 20 10 EECDLO O=C(CN1CC[NH+](Cc2cc(F)ccc2O)CC1)NC1CCCCC1 ZINC000180069350 464235458 /nfs/dbraw/zinc/23/54/58/464235458.db2.gz SESKDXFJTYGYIQ-UHFFFAOYSA-N 1 2 349.450 2.098 20 10 EECDLO OCC[N@H+](CCOCC(F)(F)F)Cc1cccc(Cl)c1O ZINC000180185212 464261203 /nfs/dbraw/zinc/26/12/03/464261203.db2.gz UHANRCNCQXJSQB-UHFFFAOYSA-N 1 2 327.730 2.419 20 10 EECDLO OCC[N@@H+](CCOCC(F)(F)F)Cc1cccc(Cl)c1O ZINC000180185212 464261210 /nfs/dbraw/zinc/26/12/10/464261210.db2.gz UHANRCNCQXJSQB-UHFFFAOYSA-N 1 2 327.730 2.419 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180326989 464287863 /nfs/dbraw/zinc/28/78/63/464287863.db2.gz QEZDLWIUUBJBSL-ZDUSSCGKSA-N 1 2 330.222 2.310 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180326989 464287868 /nfs/dbraw/zinc/28/78/68/464287868.db2.gz QEZDLWIUUBJBSL-ZDUSSCGKSA-N 1 2 330.222 2.310 20 10 EECDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299343174 465708039 /nfs/dbraw/zinc/70/80/39/465708039.db2.gz QLVIRDUAOJQGLS-SFHVURJKSA-N 1 2 333.476 2.116 20 10 EECDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299343174 465708043 /nfs/dbraw/zinc/70/80/43/465708043.db2.gz QLVIRDUAOJQGLS-SFHVURJKSA-N 1 2 333.476 2.116 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](COC(C)C)C2)cc1OC ZINC000372116787 466170807 /nfs/dbraw/zinc/17/08/07/466170807.db2.gz OBHSYNIILJFREJ-AWEZNQCLSA-N 1 2 325.405 2.035 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@H](COC(C)C)C2)cc1OC ZINC000372116787 466170814 /nfs/dbraw/zinc/17/08/14/466170814.db2.gz OBHSYNIILJFREJ-AWEZNQCLSA-N 1 2 325.405 2.035 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000375710373 466868248 /nfs/dbraw/zinc/86/82/48/466868248.db2.gz HIHPWLRDQSSOIF-AWEZNQCLSA-N 1 2 334.328 2.476 20 10 EECDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000375710373 466868253 /nfs/dbraw/zinc/86/82/53/466868253.db2.gz HIHPWLRDQSSOIF-AWEZNQCLSA-N 1 2 334.328 2.476 20 10 EECDLO Cc1nc(CN2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)no1 ZINC000775685244 577442770 /nfs/dbraw/zinc/44/27/70/577442770.db2.gz CTJPFLGCTHSAGT-UHFFFAOYSA-N 1 2 340.786 2.194 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)CN(C(C)C)C3=O)CC2)cc1 ZINC000761223720 577679650 /nfs/dbraw/zinc/67/96/50/577679650.db2.gz QDMQVYYGJAYFCU-UHFFFAOYSA-N 1 2 331.416 2.337 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@@]1=O ZINC000763482450 577721750 /nfs/dbraw/zinc/72/17/50/577721750.db2.gz KJTYHQSQNQLQAZ-FATZIPQQSA-N 1 2 340.464 2.005 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@@]1=O ZINC000763482450 577721751 /nfs/dbraw/zinc/72/17/51/577721751.db2.gz KJTYHQSQNQLQAZ-FATZIPQQSA-N 1 2 340.464 2.005 20 10 EECDLO CCS(=O)(=O)NCCC[N@H+](CC(C)C)c1ccc(OC)cc1 ZINC000753168533 577782756 /nfs/dbraw/zinc/78/27/56/577782756.db2.gz KMKKWLSDHARAKJ-UHFFFAOYSA-N 1 2 328.478 2.487 20 10 EECDLO CCS(=O)(=O)NCCC[N@@H+](CC(C)C)c1ccc(OC)cc1 ZINC000753168533 577782757 /nfs/dbraw/zinc/78/27/57/577782757.db2.gz KMKKWLSDHARAKJ-UHFFFAOYSA-N 1 2 328.478 2.487 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)cc(F)c1O ZINC000756434924 577844117 /nfs/dbraw/zinc/84/41/17/577844117.db2.gz ROQSMEYKIXQMTA-PSASIEDQSA-N 1 2 334.185 2.360 20 10 EECDLO C[C@H]([NH2+]CCCOCCO)c1cc(Br)c(F)cc1O ZINC000757639553 577861598 /nfs/dbraw/zinc/86/15/98/577861598.db2.gz YCHSYINESJJAMW-VIFPVBQESA-N 1 2 336.201 2.343 20 10 EECDLO CC[C@H](C)N1CC2(C[NH+](Cc3c(C)cc(C)cc3O)C2)OCC1=O ZINC001274214410 1204467195 /nfs/dbraw/zinc/46/71/95/1204467195.db2.gz XCLZHIYUSQCQRD-HNNXBMFYSA-N 1 2 332.444 2.221 20 10 EECDLO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(F)cc(F)c1O ZINC000903371828 1240332763 /nfs/dbraw/zinc/33/27/63/1240332763.db2.gz FOSLHGDHYMWLTG-LLVKDONJSA-N 1 2 343.370 2.369 20 10 EECDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000854003744 1292579906 /nfs/dbraw/zinc/57/99/06/1292579906.db2.gz KZFUJCSZTDGBFV-ARFHVFGLSA-N 1 2 348.491 2.222 20 10 EECDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000854003744 1292579916 /nfs/dbraw/zinc/57/99/16/1292579916.db2.gz KZFUJCSZTDGBFV-ARFHVFGLSA-N 1 2 348.491 2.222 20 10 EECDLO CC(=O)c1cc(F)cc(CN2CCC([NH+]3CCOCC3)CC2)c1O ZINC000859354645 1294406767 /nfs/dbraw/zinc/40/67/67/1294406767.db2.gz FHNAXLOPJAVKJE-UHFFFAOYSA-N 1 2 336.407 2.031 20 10 EECDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862382925 1295816995 /nfs/dbraw/zinc/81/69/95/1295816995.db2.gz DJCMGXGISGTBSM-GFCCVEGCSA-N 1 2 327.375 2.303 20 10 EECDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862382925 1295817000 /nfs/dbraw/zinc/81/70/00/1295817000.db2.gz DJCMGXGISGTBSM-GFCCVEGCSA-N 1 2 327.375 2.303 20 10 EECDLO CCC(CC)[C@@H](C(=O)NCc1cc(C)ccc1O)[NH+]1CCOCC1 ZINC000862758510 1295953588 /nfs/dbraw/zinc/95/35/88/1295953588.db2.gz AMDHNJGKMBTFNR-SFHVURJKSA-N 1 2 334.460 2.454 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c1O ZINC001231548263 1303840609 /nfs/dbraw/zinc/84/06/09/1303840609.db2.gz RDJHWJFUTKZEHP-VHSXEESVSA-N 1 2 348.212 2.316 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c1O ZINC001231548263 1303840614 /nfs/dbraw/zinc/84/06/14/1303840614.db2.gz RDJHWJFUTKZEHP-VHSXEESVSA-N 1 2 348.212 2.316 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000781912470 1303898933 /nfs/dbraw/zinc/89/89/33/1303898933.db2.gz QFUOWQPLFYNHNF-LLVKDONJSA-N 1 2 341.205 2.100 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000781912470 1303898940 /nfs/dbraw/zinc/89/89/40/1303898940.db2.gz QFUOWQPLFYNHNF-LLVKDONJSA-N 1 2 341.205 2.100 20 10 EECDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416488 1304461537 /nfs/dbraw/zinc/46/15/37/1304461537.db2.gz KCPSUWLYMOYHDE-GDLCADMTSA-N 1 2 331.334 2.383 20 10 EECDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416488 1304461542 /nfs/dbraw/zinc/46/15/42/1304461542.db2.gz KCPSUWLYMOYHDE-GDLCADMTSA-N 1 2 331.334 2.383 20 10 EECDLO CC(=O)N1CCC2(C[NH+](Cc3cccc(C(F)(F)F)c3O)C2)C1 ZINC001233417968 1304462366 /nfs/dbraw/zinc/46/23/66/1304462366.db2.gz OPFXMOUEDAFGGO-UHFFFAOYSA-N 1 2 328.334 2.465 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCCO1 ZINC001233419326 1304462445 /nfs/dbraw/zinc/46/24/45/1304462445.db2.gz UBWYGRPPIPPFAD-GFCCVEGCSA-N 1 2 333.306 2.175 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCCO1 ZINC001233419326 1304462450 /nfs/dbraw/zinc/46/24/50/1304462450.db2.gz UBWYGRPPIPPFAD-GFCCVEGCSA-N 1 2 333.306 2.175 20 10 EECDLO O=C1NCC[C@]12CC[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235058634 1305100345 /nfs/dbraw/zinc/10/03/45/1305100345.db2.gz PHKAVMDRLFRERA-CQSZACIVSA-N 1 2 343.196 2.006 20 10 EECDLO O=C1NCC[C@]12CC[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235058634 1305100350 /nfs/dbraw/zinc/10/03/50/1305100350.db2.gz PHKAVMDRLFRERA-CQSZACIVSA-N 1 2 343.196 2.006 20 10 EECDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2O)[C@H](C(=O)OC)C1 ZINC001237050130 1305779131 /nfs/dbraw/zinc/77/91/31/1305779131.db2.gz YTAOOXCWCPEUMV-ZBFHGGJFSA-N 1 2 349.427 2.442 20 10 EECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2O)[C@H](C(=O)OC)C1 ZINC001237050130 1305779140 /nfs/dbraw/zinc/77/91/40/1305779140.db2.gz YTAOOXCWCPEUMV-ZBFHGGJFSA-N 1 2 349.427 2.442 20 10 EECDLO O=S1(=O)CCN(c2ccc(C[NH+]3CCC(F)(F)CC3)cc2)CC1 ZINC001237202980 1305844076 /nfs/dbraw/zinc/84/40/76/1305844076.db2.gz OEHKCMVQVJYEGP-UHFFFAOYSA-N 1 2 344.427 2.153 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(F)cn1 ZINC000829107718 1314487320 /nfs/dbraw/zinc/48/73/20/1314487320.db2.gz RSLZRLHYDUZJQN-KUHUBIRLSA-N 1 2 343.402 2.125 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(F)cn1 ZINC000829107718 1314487325 /nfs/dbraw/zinc/48/73/25/1314487325.db2.gz RSLZRLHYDUZJQN-KUHUBIRLSA-N 1 2 343.402 2.125 20 10 EECDLO CC(C)N(C)C(=O)C1=NO[C@]2(CC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC001138125170 1314549448 /nfs/dbraw/zinc/54/94/48/1314549448.db2.gz KAEIAAGSONFEKC-GOSISDBHSA-N 1 2 349.406 2.119 20 10 EECDLO CC(C)N(C)C(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC001138125170 1314549452 /nfs/dbraw/zinc/54/94/52/1314549452.db2.gz KAEIAAGSONFEKC-GOSISDBHSA-N 1 2 349.406 2.119 20 10 EECDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138360190 1314605769 /nfs/dbraw/zinc/60/57/69/1314605769.db2.gz OUIBSEGYTUJQJN-QGZVFWFLSA-N 1 2 332.444 2.223 20 10 EECDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138360190 1314605774 /nfs/dbraw/zinc/60/57/74/1314605774.db2.gz OUIBSEGYTUJQJN-QGZVFWFLSA-N 1 2 332.444 2.223 20 10 EECDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1cccc(OC)c1O)CCC2 ZINC001203584850 1321916990 /nfs/dbraw/zinc/91/69/90/1321916990.db2.gz HTFARZNTIGFHFW-UHFFFAOYSA-N 1 2 345.399 2.180 20 10 EECDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1cccc(OC)c1O)CCC2 ZINC001203584850 1321916992 /nfs/dbraw/zinc/91/69/92/1321916992.db2.gz HTFARZNTIGFHFW-UHFFFAOYSA-N 1 2 345.399 2.180 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(CC)c21 ZINC001203931656 1321992697 /nfs/dbraw/zinc/99/26/97/1321992697.db2.gz KSHBQFQJWKOHIF-INIZCTEOSA-N 1 2 343.475 2.500 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(CC)c21 ZINC001203931656 1321992699 /nfs/dbraw/zinc/99/26/99/1321992699.db2.gz KSHBQFQJWKOHIF-INIZCTEOSA-N 1 2 343.475 2.500 20 10 EECDLO COC(=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC001350317080 1337694598 /nfs/dbraw/zinc/69/45/98/1337694598.db2.gz QNRDVWFOVZJVHV-UHFFFAOYSA-N 1 2 332.169 2.337 20 10 EECDLO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000834899798 1372574418 /nfs/dbraw/zinc/57/44/18/1372574418.db2.gz KIXAETDXIPKLSB-JGVFFNPUSA-N 1 2 333.201 2.469 20 10 EECDLO CC[C@H]([NH2+]Cc1ccc(F)cn1)c1cccc(-c2nn[nH]n2)c1O ZINC001590470522 1349344412 /nfs/dbraw/zinc/34/44/12/1349344412.db2.gz XZENPKNVJSPMCZ-AWEZNQCLSA-N 1 2 328.351 2.347 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1)c1ccccn1 ZINC001137841745 1372282923 /nfs/dbraw/zinc/28/29/23/1372282923.db2.gz SKYIUBMGUJOJAY-CYBMUJFWSA-N 1 2 329.375 2.321 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1)c1ccccn1 ZINC001137841745 1372282926 /nfs/dbraw/zinc/28/29/26/1372282926.db2.gz SKYIUBMGUJOJAY-CYBMUJFWSA-N 1 2 329.375 2.321 20 10 EECDLO CC[N@H+](CC(=O)NC)Cc1cc(Cl)cc(Br)c1O ZINC000708138516 786752914 /nfs/dbraw/zinc/75/29/14/786752914.db2.gz BWQZTPHSYHWEES-UHFFFAOYSA-N 1 2 335.629 2.376 20 10 EECDLO CC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(Br)c1O ZINC000708138516 786752920 /nfs/dbraw/zinc/75/29/20/786752920.db2.gz BWQZTPHSYHWEES-UHFFFAOYSA-N 1 2 335.629 2.376 20 10 EECDLO COC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708169341 786764222 /nfs/dbraw/zinc/76/42/22/786764222.db2.gz GMLQVXZNPKBKBH-SNVBAGLBSA-N 1 2 338.629 2.295 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000715738610 795491685 /nfs/dbraw/zinc/49/16/85/795491685.db2.gz VSFCONQKWNCNJT-LBPRGKRZSA-N 1 2 336.226 2.251 20 10 EECDLO Cn1ccc(CC[NH2+]Cc2cc(Br)cc(F)c2O)n1 ZINC000715779512 795500955 /nfs/dbraw/zinc/50/09/55/795500955.db2.gz QBYOHCOVSYGVIU-UHFFFAOYSA-N 1 2 328.185 2.360 20 10 EECDLO COCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715818166 795537864 /nfs/dbraw/zinc/53/78/64/795537864.db2.gz MQEZHLKEZIKEFA-CYBMUJFWSA-N 1 2 336.201 2.171 20 10 EECDLO Cc1cccc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000793605580 810429440 /nfs/dbraw/zinc/42/94/40/810429440.db2.gz VTVOCDRCFJYWBF-MRXNPFEDSA-N 1 2 349.475 2.341 20 10 EECDLO Cc1cccc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000793605580 810429444 /nfs/dbraw/zinc/42/94/44/810429444.db2.gz VTVOCDRCFJYWBF-MRXNPFEDSA-N 1 2 349.475 2.341 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)cc1F ZINC000084867027 237007537 /nfs/dbraw/zinc/00/75/37/237007537.db2.gz WHDMABQHHCUHHZ-HNNXBMFYSA-N 1 2 349.450 2.215 20 10 EECDLO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc(Cl)c1O ZINC000287686061 463968808 /nfs/dbraw/zinc/96/88/08/463968808.db2.gz MYKFKSHCOXVALX-CYBMUJFWSA-N 1 2 326.824 2.368 20 10 EECDLO CCOc1cccc(C[N@H+](C)Cc2ncnn2CC(F)F)c1O ZINC000278863923 464001971 /nfs/dbraw/zinc/00/19/71/464001971.db2.gz FDERFEQBXDDMMK-UHFFFAOYSA-N 1 2 326.347 2.280 20 10 EECDLO CCOc1cccc(C[N@@H+](C)Cc2ncnn2CC(F)F)c1O ZINC000278863923 464001977 /nfs/dbraw/zinc/00/19/77/464001977.db2.gz FDERFEQBXDDMMK-UHFFFAOYSA-N 1 2 326.347 2.280 20 10 EECDLO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000179537570 464153196 /nfs/dbraw/zinc/15/31/96/464153196.db2.gz VMYREQBATIHOSX-UHFFFAOYSA-N 1 2 346.452 2.207 20 10 EECDLO COc1cc(N2CC[NH+](Cc3ncc(C)o3)CC2)cc(OC)c1OC ZINC000183697353 464899178 /nfs/dbraw/zinc/89/91/78/464899178.db2.gz HLKTXBUHVOXBFS-UHFFFAOYSA-N 1 2 347.415 2.331 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)NCC[NH+]1CCOCC1 ZINC000282695761 464913555 /nfs/dbraw/zinc/91/35/55/464913555.db2.gz UPELSMSGGMGKKF-UHFFFAOYSA-N 1 2 335.448 2.036 20 10 EECDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866057 529366207 /nfs/dbraw/zinc/36/62/07/529366207.db2.gz GZOPELWIIPVFHG-ZIAGYGMSSA-N 1 2 337.439 2.260 20 10 EECDLO COC(=O)c1occc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776022889 577450667 /nfs/dbraw/zinc/45/06/67/577450667.db2.gz BUOQOIFTWTWGHS-UHFFFAOYSA-N 1 2 348.374 2.332 20 10 EECDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000761228136 577679893 /nfs/dbraw/zinc/67/98/93/577679893.db2.gz HILCNANCXFDNLH-GFCCVEGCSA-N 1 2 327.787 2.221 20 10 EECDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000761228136 577679894 /nfs/dbraw/zinc/67/98/94/577679894.db2.gz HILCNANCXFDNLH-GFCCVEGCSA-N 1 2 327.787 2.221 20 10 EECDLO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)c(F)cc1O ZINC000756782418 577850105 /nfs/dbraw/zinc/85/01/05/577850105.db2.gz QZTRVURTRYNOQW-SSDOTTSWSA-N 1 2 333.201 2.456 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cc([N+](=O)[O-])ccc1O ZINC000757662691 577862083 /nfs/dbraw/zinc/86/20/83/577862083.db2.gz WFDYBQBIIYKIFC-LLVKDONJSA-N 1 2 341.367 2.437 20 10 EECDLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000748635236 577965179 /nfs/dbraw/zinc/96/51/79/577965179.db2.gz UQSAVNQIMHJSLZ-INIZCTEOSA-N 1 2 342.443 2.377 20 10 EECDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137677 578182802 /nfs/dbraw/zinc/18/28/02/578182802.db2.gz XWSXPRACYMZNOC-JTQLQIEISA-N 1 2 340.343 2.331 20 10 EECDLO O=C(CCCC[NH+]1CCOCC1)NCc1cccc(Cl)c1O ZINC000890757565 675592179 /nfs/dbraw/zinc/59/21/79/675592179.db2.gz ICZNKJZYTWNWMY-UHFFFAOYSA-N 1 2 326.824 2.164 20 10 EECDLO Cc1cc(C(=O)O[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000181626787 684125939 /nfs/dbraw/zinc/12/59/39/684125939.db2.gz OVXHJFUSTZOSTG-HNNXBMFYSA-N 1 2 343.427 2.367 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000896690020 685174925 /nfs/dbraw/zinc/17/49/25/685174925.db2.gz MPSASYMXTJZDPI-UHFFFAOYSA-N 1 2 345.798 2.323 20 10 EECDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001272629567 1190939857 /nfs/dbraw/zinc/93/98/57/1190939857.db2.gz OAJNOPYMVCVGQI-GFCCVEGCSA-N 1 2 338.835 2.257 20 10 EECDLO CN(C)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c2ccccc21 ZINC001275937220 1205595756 /nfs/dbraw/zinc/59/57/56/1205595756.db2.gz BFSRUYLBWWTIBZ-CALCHBBNSA-N 1 2 325.456 2.421 20 10 EECDLO CN(C)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c2ccccc21 ZINC001275937220 1205595758 /nfs/dbraw/zinc/59/57/58/1205595758.db2.gz BFSRUYLBWWTIBZ-CALCHBBNSA-N 1 2 325.456 2.421 20 10 EECDLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061118 1230273009 /nfs/dbraw/zinc/27/30/09/1230273009.db2.gz PKFZCYIYIPPMLR-OCCSQVGLSA-N 1 2 335.383 2.401 20 10 EECDLO CC[C@@H](F)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061118 1230273010 /nfs/dbraw/zinc/27/30/10/1230273010.db2.gz PKFZCYIYIPPMLR-OCCSQVGLSA-N 1 2 335.383 2.401 20 10 EECDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000121482813 1284753230 /nfs/dbraw/zinc/75/32/30/1284753230.db2.gz KOWVQHZXINWMJW-ZDUSSCGKSA-N 1 2 339.233 2.398 20 10 EECDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000121482813 1284753236 /nfs/dbraw/zinc/75/32/36/1284753236.db2.gz KOWVQHZXINWMJW-ZDUSSCGKSA-N 1 2 339.233 2.398 20 10 EECDLO CCC(CC)[C@H](C(=O)NCc1cc(C)ccc1O)[NH+]1CCOCC1 ZINC000862758507 1295953693 /nfs/dbraw/zinc/95/36/93/1295953693.db2.gz AMDHNJGKMBTFNR-GOSISDBHSA-N 1 2 334.460 2.454 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC2(CN(C)C2)C1 ZINC001276826454 1299236580 /nfs/dbraw/zinc/23/65/80/1299236580.db2.gz QNGIHVYJSWCKHL-UHFFFAOYSA-N 1 2 328.412 2.335 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC2(CN(C)C2)C1 ZINC001276826454 1299236595 /nfs/dbraw/zinc/23/65/95/1299236595.db2.gz QNGIHVYJSWCKHL-UHFFFAOYSA-N 1 2 328.412 2.335 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236826151 1305690609 /nfs/dbraw/zinc/69/06/09/1305690609.db2.gz HIVJULVPNDREPK-MRXNPFEDSA-N 1 2 327.380 2.500 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236826151 1305690616 /nfs/dbraw/zinc/69/06/16/1305690616.db2.gz HIVJULVPNDREPK-MRXNPFEDSA-N 1 2 327.380 2.500 20 10 EECDLO CC[NH+](CC)CCN1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140580166 1314909023 /nfs/dbraw/zinc/90/90/23/1314909023.db2.gz UAMJMOGDEDILTD-UHFFFAOYSA-N 1 2 327.419 2.130 20 10 EECDLO CC[N@@H+]1CCC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001308810626 1331606079 /nfs/dbraw/zinc/60/60/79/1331606079.db2.gz QFXVERQYZOQKNY-OAHLLOKOSA-N 1 2 339.430 2.375 20 10 EECDLO CC[N@H+]1CCC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001308810626 1331606082 /nfs/dbraw/zinc/60/60/82/1331606082.db2.gz QFXVERQYZOQKNY-OAHLLOKOSA-N 1 2 339.430 2.375 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc(-c2nn[nH]n2)c1O ZINC001589954554 1349078310 /nfs/dbraw/zinc/07/83/10/1349078310.db2.gz HGETUVWIIYVSMY-TVQRCGJNSA-N 1 2 325.376 2.024 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc(-c2nn[nH]n2)c1O ZINC001589954544 1349078513 /nfs/dbraw/zinc/07/85/13/1349078513.db2.gz HGETUVWIIYVSMY-NOZJJQNGSA-N 1 2 325.376 2.024 20 10 EECDLO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978922 1349090293 /nfs/dbraw/zinc/09/02/93/1349090293.db2.gz SLVCCYOSZUQGKM-GFCCVEGCSA-N 1 2 331.420 2.308 20 10 EECDLO CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590462891 1349338609 /nfs/dbraw/zinc/33/86/09/1349338609.db2.gz GMEFPCSPXJNGOS-GJZGRUSLSA-N 1 2 333.436 2.410 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1O ZINC001603655868 1350734962 /nfs/dbraw/zinc/73/49/62/1350734962.db2.gz CFNFYLDHXFXBOB-AAEUAGOBSA-N 1 2 337.383 2.227 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001604055559 1350841869 /nfs/dbraw/zinc/84/18/69/1350841869.db2.gz NOSGMVMUVDZEEQ-HUBLWGQQSA-N 1 2 331.420 2.286 20 10 EECDLO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](CC)CO1 ZINC000844386694 789056314 /nfs/dbraw/zinc/05/63/14/789056314.db2.gz JMLUXGOJUSEMMH-WMZOPIPTSA-N 1 2 333.476 2.258 20 10 EECDLO CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](CC)CO1 ZINC000844386694 789056322 /nfs/dbraw/zinc/05/63/22/789056322.db2.gz JMLUXGOJUSEMMH-WMZOPIPTSA-N 1 2 333.476 2.258 20 10 EECDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300250 796124642 /nfs/dbraw/zinc/12/46/42/796124642.db2.gz WIQYMPWCZLSUBM-QMMMGPOBSA-N 1 2 332.169 2.289 20 10 EECDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300250 796124645 /nfs/dbraw/zinc/12/46/45/796124645.db2.gz WIQYMPWCZLSUBM-QMMMGPOBSA-N 1 2 332.169 2.289 20 10 EECDLO Nc1cc(CC(=O)NCc2cc(Cl)c3cccnc3c2O)cc[nH+]1 ZINC001181264637 800732615 /nfs/dbraw/zinc/73/26/15/800732615.db2.gz KVGCRECHMNZFBX-UHFFFAOYSA-N 1 2 342.786 2.430 20 10 EECDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000297417546 465255109 /nfs/dbraw/zinc/25/51/09/465255109.db2.gz NDBLOGPUXXHFLO-UHFFFAOYSA-N 1 2 344.323 2.292 20 10 EECDLO Cc1ccc(NS(=O)(=O)c2cccc3nonc32)c(C[NH+](C)C)c1 ZINC000129268072 462699046 /nfs/dbraw/zinc/69/90/46/462699046.db2.gz WDBHRLFSOJPTPK-UHFFFAOYSA-N 1 2 346.412 2.394 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)CC ZINC000278412077 463965131 /nfs/dbraw/zinc/96/51/31/463965131.db2.gz QCFDYMBTLSZEDW-GXFFZTMASA-N 1 2 340.376 2.376 20 10 EECDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000271744501 464371438 /nfs/dbraw/zinc/37/14/38/464371438.db2.gz SBHADKYARANPBO-JSGCOSHPSA-N 1 2 340.851 2.409 20 10 EECDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271744501 464371442 /nfs/dbraw/zinc/37/14/42/464371442.db2.gz SBHADKYARANPBO-JSGCOSHPSA-N 1 2 340.851 2.409 20 10 EECDLO COC1CCN(c2ccc(C[N@@H+]3CCN(C(C)C)C(=O)C3)cc2)CC1 ZINC000294929355 464651473 /nfs/dbraw/zinc/65/14/73/464651473.db2.gz HFXBAASTYGSJSK-UHFFFAOYSA-N 1 2 345.487 2.354 20 10 EECDLO COC1CCN(c2ccc(C[N@H+]3CCN(C(C)C)C(=O)C3)cc2)CC1 ZINC000294929355 464651481 /nfs/dbraw/zinc/65/14/81/464651481.db2.gz HFXBAASTYGSJSK-UHFFFAOYSA-N 1 2 345.487 2.354 20 10 EECDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299343171 465708408 /nfs/dbraw/zinc/70/84/08/465708408.db2.gz QLVIRDUAOJQGLS-GOSISDBHSA-N 1 2 333.476 2.116 20 10 EECDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299343171 465708411 /nfs/dbraw/zinc/70/84/11/465708411.db2.gz QLVIRDUAOJQGLS-GOSISDBHSA-N 1 2 333.476 2.116 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2cccc(Br)c2O)CCO1 ZINC000529667002 467891930 /nfs/dbraw/zinc/89/19/30/467891930.db2.gz QDWBVVMOESNQHA-GFCCVEGCSA-N 1 2 330.222 2.392 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CCO1 ZINC000529667002 467891933 /nfs/dbraw/zinc/89/19/33/467891933.db2.gz QDWBVVMOESNQHA-GFCCVEGCSA-N 1 2 330.222 2.392 20 10 EECDLO O=C(C1CC1)N1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000728299765 576488652 /nfs/dbraw/zinc/48/86/52/576488652.db2.gz PCLVSTBCDXFXPF-UHFFFAOYSA-N 1 2 339.233 2.209 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NOC3CCOCC3)CC2)cc1 ZINC000773530896 577348291 /nfs/dbraw/zinc/34/82/91/577348291.db2.gz LGTYZCDGHDHPEV-UHFFFAOYSA-N 1 2 349.431 2.074 20 10 EECDLO COc1cccc(O)c1C[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000769484751 577579048 /nfs/dbraw/zinc/57/90/48/577579048.db2.gz YJCOGIJDCJMLIG-UHFFFAOYSA-N 1 2 344.386 2.384 20 10 EECDLO COc1cccc(O)c1C[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000769484751 577579049 /nfs/dbraw/zinc/57/90/49/577579049.db2.gz YJCOGIJDCJMLIG-UHFFFAOYSA-N 1 2 344.386 2.384 20 10 EECDLO CN(C)C(=O)N1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C(C)(C)C1 ZINC000761226024 577679724 /nfs/dbraw/zinc/67/97/24/577679724.db2.gz MWALZQOKDOTDBZ-UHFFFAOYSA-N 1 2 336.455 2.470 20 10 EECDLO CN(C)C(=O)N1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C(C)(C)C1 ZINC000761226024 577679725 /nfs/dbraw/zinc/67/97/25/577679725.db2.gz MWALZQOKDOTDBZ-UHFFFAOYSA-N 1 2 336.455 2.470 20 10 EECDLO CC(C)=CCN1CC2(C[NH+](Cc3cc(C)ccc3O)C2)OCC1=O ZINC001272622541 1190935645 /nfs/dbraw/zinc/93/56/45/1190935645.db2.gz NCIDGLFYAJNNIQ-UHFFFAOYSA-N 1 2 330.428 2.080 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c(O)c1O ZINC000870133937 1200493642 /nfs/dbraw/zinc/49/36/42/1200493642.db2.gz GRQWNNSEHMVWMX-UHFFFAOYSA-N 1 2 342.395 2.070 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001275773071 1205520693 /nfs/dbraw/zinc/52/06/93/1205520693.db2.gz GHFHCCSUOQFYID-WMZOPIPTSA-N 1 2 349.381 2.084 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001275773071 1205520695 /nfs/dbraw/zinc/52/06/95/1205520695.db2.gz GHFHCCSUOQFYID-WMZOPIPTSA-N 1 2 349.381 2.084 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)n1 ZINC000924713976 1206022736 /nfs/dbraw/zinc/02/27/36/1206022736.db2.gz HNEPQBSOFZZOCX-HZSPNIEDSA-N 1 2 347.438 2.419 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000802116572 1236937542 /nfs/dbraw/zinc/93/75/42/1236937542.db2.gz JDHNHNHRANGFMK-MRXNPFEDSA-N 1 2 349.475 2.425 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000802116572 1236937548 /nfs/dbraw/zinc/93/75/48/1236937548.db2.gz JDHNHNHRANGFMK-MRXNPFEDSA-N 1 2 349.475 2.425 20 10 EECDLO CCC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CC(=O)N(C)C1=O ZINC000802656675 1237936129 /nfs/dbraw/zinc/93/61/29/1237936129.db2.gz SIZPUKGVIMXIAS-LLVKDONJSA-N 1 2 328.771 2.154 20 10 EECDLO CCC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CC(=O)N(C)C1=O ZINC000802656675 1237936133 /nfs/dbraw/zinc/93/61/33/1237936133.db2.gz SIZPUKGVIMXIAS-LLVKDONJSA-N 1 2 328.771 2.154 20 10 EECDLO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1O ZINC000857338950 1293797649 /nfs/dbraw/zinc/79/76/49/1293797649.db2.gz KMARQMSMJSJLCZ-ZDUSSCGKSA-N 1 2 330.359 2.241 20 10 EECDLO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1c(F)ccc(O)c1O ZINC000857338950 1293797655 /nfs/dbraw/zinc/79/76/55/1293797655.db2.gz KMARQMSMJSJLCZ-ZDUSSCGKSA-N 1 2 330.359 2.241 20 10 EECDLO OC[C@@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232195469 1304034639 /nfs/dbraw/zinc/03/46/39/1304034639.db2.gz VIWDLKOGMCHEBM-MRXNPFEDSA-N 1 2 328.815 2.083 20 10 EECDLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232195469 1304034646 /nfs/dbraw/zinc/03/46/46/1304034646.db2.gz VIWDLKOGMCHEBM-MRXNPFEDSA-N 1 2 328.815 2.083 20 10 EECDLO C[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001233015522 1304328887 /nfs/dbraw/zinc/32/88/87/1304328887.db2.gz QLKKIXPXPXHDPS-PWSUYJOCSA-N 1 2 338.404 2.148 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001233015522 1304328891 /nfs/dbraw/zinc/32/88/91/1304328891.db2.gz QLKKIXPXPXHDPS-PWSUYJOCSA-N 1 2 338.404 2.148 20 10 EECDLO Cc1ccc(CN2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233485316 1304477248 /nfs/dbraw/zinc/47/72/48/1304477248.db2.gz QQVONVUQPNYBEH-UHFFFAOYSA-N 1 2 328.412 2.430 20 10 EECDLO C[C@H]1C(=O)NCC[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236783420 1305673368 /nfs/dbraw/zinc/67/33/68/1305673368.db2.gz RLYTWQARZLOCFV-AWEZNQCLSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236783420 1305673372 /nfs/dbraw/zinc/67/33/72/1305673372.db2.gz RLYTWQARZLOCFV-AWEZNQCLSA-N 1 2 326.396 2.292 20 10 EECDLO Oc1ccc(Br)cc1C[N@@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001236983630 1305762715 /nfs/dbraw/zinc/76/27/15/1305762715.db2.gz URDIYKAUHQBVNK-NSHDSACASA-N 1 2 339.155 2.491 20 10 EECDLO Oc1ccc(Br)cc1C[N@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001236983630 1305762724 /nfs/dbraw/zinc/76/27/24/1305762724.db2.gz URDIYKAUHQBVNK-NSHDSACASA-N 1 2 339.155 2.491 20 10 EECDLO COC(=O)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC001116443892 1305885152 /nfs/dbraw/zinc/88/51/52/1305885152.db2.gz HPBNIWDFBQUHNH-UHFFFAOYSA-N 1 2 343.221 2.429 20 10 EECDLO COC(=O)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC001116443892 1305885167 /nfs/dbraw/zinc/88/51/67/1305885167.db2.gz HPBNIWDFBQUHNH-UHFFFAOYSA-N 1 2 343.221 2.429 20 10 EECDLO CC(C)(C[NH3+])c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC001237650103 1306027947 /nfs/dbraw/zinc/02/79/47/1306027947.db2.gz KYCRXORBWVQUKF-UHFFFAOYSA-N 1 2 346.412 2.260 20 10 EECDLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238059455 1306204808 /nfs/dbraw/zinc/20/48/08/1306204808.db2.gz CUPIVJVEOLXXDW-ZDUSSCGKSA-N 1 2 334.395 2.197 20 10 EECDLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238059455 1306204814 /nfs/dbraw/zinc/20/48/14/1306204814.db2.gz CUPIVJVEOLXXDW-ZDUSSCGKSA-N 1 2 334.395 2.197 20 10 EECDLO O=C(c1noc2c1C[N@H+](Cc1cc(F)ccc1O)CC2)N1CC=CC1 ZINC001278257489 1308923936 /nfs/dbraw/zinc/92/39/36/1308923936.db2.gz XPEPFBVUAWBVQV-UHFFFAOYSA-N 1 2 343.358 2.090 20 10 EECDLO O=C(c1noc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2)N1CC=CC1 ZINC001278257489 1308923939 /nfs/dbraw/zinc/92/39/39/1308923939.db2.gz XPEPFBVUAWBVQV-UHFFFAOYSA-N 1 2 343.358 2.090 20 10 EECDLO CNc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc[nH+]1 ZINC001120013376 1309281906 /nfs/dbraw/zinc/28/19/06/1309281906.db2.gz FUVPOAJXPAIKPC-UHFFFAOYSA-N 1 2 331.395 2.231 20 10 EECDLO CNc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH+]cn1 ZINC001120013376 1309281914 /nfs/dbraw/zinc/28/19/14/1309281914.db2.gz FUVPOAJXPAIKPC-UHFFFAOYSA-N 1 2 331.395 2.231 20 10 EECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001203650779 1321932507 /nfs/dbraw/zinc/93/25/07/1321932507.db2.gz BPZCKRXTKLRIMW-GFCCVEGCSA-N 1 2 325.714 2.171 20 10 EECDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001203650779 1321932510 /nfs/dbraw/zinc/93/25/10/1321932510.db2.gz BPZCKRXTKLRIMW-GFCCVEGCSA-N 1 2 325.714 2.171 20 10 EECDLO COc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc(O)c1O ZINC001204344856 1322120194 /nfs/dbraw/zinc/12/01/94/1322120194.db2.gz JSRIFJHOJKEVTN-CQSZACIVSA-N 1 2 334.416 2.083 20 10 EECDLO COc1cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc(O)c1O ZINC001204344856 1322120201 /nfs/dbraw/zinc/12/02/01/1322120201.db2.gz JSRIFJHOJKEVTN-CQSZACIVSA-N 1 2 334.416 2.083 20 10 EECDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204349163 1322123332 /nfs/dbraw/zinc/12/33/32/1322123332.db2.gz QQFQJAQRQGMXNK-XEZPLFJOSA-N 1 2 335.400 2.270 20 10 EECDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204349163 1322123343 /nfs/dbraw/zinc/12/33/43/1322123343.db2.gz QQFQJAQRQGMXNK-XEZPLFJOSA-N 1 2 335.400 2.270 20 10 EECDLO CC(C)n1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)n1 ZINC001603670841 1350739190 /nfs/dbraw/zinc/73/91/90/1350739190.db2.gz ONNNJKXPKAUTDC-LLVKDONJSA-N 1 2 327.392 2.201 20 10 EECDLO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)n3cc[nH+]c3)C2)cc1 ZINC001329152363 1334595759 /nfs/dbraw/zinc/59/57/59/1334595759.db2.gz RFFJQKZILGILCH-HUUCEWRRSA-N 1 2 328.416 2.095 20 10 EECDLO CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590462890 1349339005 /nfs/dbraw/zinc/33/90/05/1349339005.db2.gz GMEFPCSPXJNGOS-CABCVRRESA-N 1 2 333.436 2.410 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604057282 1350842892 /nfs/dbraw/zinc/84/28/92/1350842892.db2.gz ZEJXGDDTVKXXBU-ZOWXZIJZSA-N 1 2 331.420 2.428 20 10 EECDLO COC1CCN(c2ccc(C[N@H+](C)Cc3cn(C)nn3)cc2)CC1 ZINC000852553786 1369281637 /nfs/dbraw/zinc/28/16/37/1369281637.db2.gz XXSQBBFTEAAYCT-UHFFFAOYSA-N 1 2 329.448 2.062 20 10 EECDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3cn(C)nn3)cc2)CC1 ZINC000852553786 1369281643 /nfs/dbraw/zinc/28/16/43/1369281643.db2.gz XXSQBBFTEAAYCT-UHFFFAOYSA-N 1 2 329.448 2.062 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Br)cc(F)c1O ZINC000840826357 783020539 /nfs/dbraw/zinc/02/05/39/783020539.db2.gz UXVJWPOPRAFTSE-RKDXNWHRSA-N 1 2 345.212 2.471 20 10 EECDLO C[C@@H](c1nccc(N)n1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846766033 790520376 /nfs/dbraw/zinc/52/03/76/790520376.db2.gz JWLXQICTIKUVJK-AWEZNQCLSA-N 1 2 327.432 2.088 20 10 EECDLO C[C@@H](c1nccc(N)n1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846766033 790520383 /nfs/dbraw/zinc/52/03/83/790520383.db2.gz JWLXQICTIKUVJK-AWEZNQCLSA-N 1 2 327.432 2.088 20 10 EECDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCCCNC1=O ZINC000893983427 780377476 /nfs/dbraw/zinc/37/74/76/780377476.db2.gz BXWZQKXSSRVYQR-GFCCVEGCSA-N 1 2 345.212 2.394 20 10 EECDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCCCNC1=O ZINC000893983427 780377486 /nfs/dbraw/zinc/37/74/86/780377486.db2.gz BXWZQKXSSRVYQR-GFCCVEGCSA-N 1 2 345.212 2.394 20 10 EECDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846267096 790109630 /nfs/dbraw/zinc/10/96/30/790109630.db2.gz NHOTUPCSSBBZDH-CQSZACIVSA-N 1 2 345.399 2.132 20 10 EECDLO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715758155 795495209 /nfs/dbraw/zinc/49/52/09/795495209.db2.gz IRZUIGTUJRVOOX-CPCISQLKSA-N 1 2 338.242 2.496 20 10 EECDLO CON1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715830075 795537984 /nfs/dbraw/zinc/53/79/84/795537984.db2.gz WPISFEMNZXJXML-UHFFFAOYSA-N 1 2 333.201 2.409 20 10 EECDLO COc1ccc(N2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC000791219735 809115222 /nfs/dbraw/zinc/11/52/22/809115222.db2.gz YGUNPIBBWMZKFJ-UHFFFAOYSA-N 1 2 328.416 2.136 20 10 EECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)c1 ZINC000282799011 464954581 /nfs/dbraw/zinc/95/45/81/464954581.db2.gz QQJGHRAHIVQAOT-NSHDSACASA-N 1 2 332.404 2.376 20 10 EECDLO CN(C)c1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000287362371 463880308 /nfs/dbraw/zinc/88/03/08/463880308.db2.gz ZYLCIOXYVINVQE-UHFFFAOYSA-N 1 2 325.403 2.346 20 10 EECDLO COC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000188338403 464258371 /nfs/dbraw/zinc/25/83/71/464258371.db2.gz SUWOVVDTNPJHIV-GXFFZTMASA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000188338403 464258375 /nfs/dbraw/zinc/25/83/75/464258375.db2.gz SUWOVVDTNPJHIV-GXFFZTMASA-N 1 2 330.222 2.390 20 10 EECDLO CC(C)C(=O)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000263981720 464260756 /nfs/dbraw/zinc/26/07/56/464260756.db2.gz GCPODTDPPZGXGR-UHFFFAOYSA-N 1 2 341.249 2.455 20 10 EECDLO COc1ccc(N2CCC[N@@H+](Cc3nc([C@@H](C)OC)no3)CC2)cc1 ZINC000175113101 464492501 /nfs/dbraw/zinc/49/25/01/464492501.db2.gz ZWUNOSIWVFWDJS-CQSZACIVSA-N 1 2 346.431 2.498 20 10 EECDLO COc1ccc(N2CCC[N@H+](Cc3nc([C@@H](C)OC)no3)CC2)cc1 ZINC000175113101 464492505 /nfs/dbraw/zinc/49/25/05/464492505.db2.gz ZWUNOSIWVFWDJS-CQSZACIVSA-N 1 2 346.431 2.498 20 10 EECDLO COC(=O)C[N@H+](CCOCC(F)F)Cc1cc(Cl)ccc1O ZINC000189664331 464537837 /nfs/dbraw/zinc/53/78/37/464537837.db2.gz LZQMBYOCLNTWPN-UHFFFAOYSA-N 1 2 337.750 2.302 20 10 EECDLO COC(=O)C[N@@H+](CCOCC(F)F)Cc1cc(Cl)ccc1O ZINC000189664331 464537843 /nfs/dbraw/zinc/53/78/43/464537843.db2.gz LZQMBYOCLNTWPN-UHFFFAOYSA-N 1 2 337.750 2.302 20 10 EECDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000274131336 464735481 /nfs/dbraw/zinc/73/54/81/464735481.db2.gz PBOXERCMOOALJE-LBPRGKRZSA-N 1 2 348.262 2.164 20 10 EECDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000274131336 464735486 /nfs/dbraw/zinc/73/54/86/464735486.db2.gz PBOXERCMOOALJE-LBPRGKRZSA-N 1 2 348.262 2.164 20 10 EECDLO COC(=O)C[N@H+](Cc1cc(Br)cc(OC)c1O)C1CC1 ZINC000770279857 577593428 /nfs/dbraw/zinc/59/34/28/577593428.db2.gz DEUUIFAAZDXGLG-UHFFFAOYSA-N 1 2 344.205 2.301 20 10 EECDLO COC(=O)C[N@@H+](Cc1cc(Br)cc(OC)c1O)C1CC1 ZINC000770279857 577593429 /nfs/dbraw/zinc/59/34/29/577593429.db2.gz DEUUIFAAZDXGLG-UHFFFAOYSA-N 1 2 344.205 2.301 20 10 EECDLO CC[C@@]1(C)NC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000761224245 577679680 /nfs/dbraw/zinc/67/96/80/577679680.db2.gz WCRAKEODAWUWJT-GOSISDBHSA-N 1 2 331.416 2.385 20 10 EECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)c1 ZINC000756382040 577842983 /nfs/dbraw/zinc/84/29/83/577842983.db2.gz QLPIUIZCIUBTEK-BZNIZROVSA-N 1 2 328.368 2.056 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N(C)Cc3ccon3)CC2)cc1 ZINC000740479555 578095694 /nfs/dbraw/zinc/09/56/94/578095694.db2.gz CHEOEWCRVQAXIR-UHFFFAOYSA-N 1 2 344.415 2.494 20 10 EECDLO CN(C)c1ccc(CN(C(=O)NCc2c[nH+]cn2C)C2CC2)cc1 ZINC000292460021 678766811 /nfs/dbraw/zinc/76/68/11/678766811.db2.gz XRCOENWQSXKJJC-UHFFFAOYSA-N 1 2 327.432 2.360 20 10 EECDLO CCCCN1C(=O)COCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001273107384 1194391227 /nfs/dbraw/zinc/39/12/27/1194391227.db2.gz RDVTZWLOVNOIOE-UHFFFAOYSA-N 1 2 338.835 2.259 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)Cc2cn(C[C@H]3CCCO3)nn2)cc1 ZINC000876511484 1199651903 /nfs/dbraw/zinc/65/19/03/1199651903.db2.gz JXWUXCQQEVJGCM-GOSISDBHSA-N 1 2 329.448 2.155 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)Cc2cn(C[C@H]3CCCO3)nn2)cc1 ZINC000876511484 1199651905 /nfs/dbraw/zinc/65/19/05/1199651905.db2.gz JXWUXCQQEVJGCM-GOSISDBHSA-N 1 2 329.448 2.155 20 10 EECDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CN(C)CCO1 ZINC000883051983 1202003527 /nfs/dbraw/zinc/00/35/27/1202003527.db2.gz VIWFBZMYLIGGJS-RNCFNFMXSA-N 1 2 347.228 2.103 20 10 EECDLO COc1ccc(N2CCC[C@]23CCN(Cc2c[nH+]cn2C)C3=O)cc1 ZINC001274790033 1205162896 /nfs/dbraw/zinc/16/28/96/1205162896.db2.gz FPSBBJIWBORVPU-LJQANCHMSA-N 1 2 340.427 2.200 20 10 EECDLO O=C1N(C2CCCC2)CC[C@]12CCC[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001274835990 1205183758 /nfs/dbraw/zinc/18/37/58/1205183758.db2.gz CNELXFJFKKZDRT-LJQANCHMSA-N 1 2 346.427 2.313 20 10 EECDLO O=C1N(C2CCCC2)CC[C@]12CCC[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001274835990 1205183759 /nfs/dbraw/zinc/18/37/59/1205183759.db2.gz CNELXFJFKKZDRT-LJQANCHMSA-N 1 2 346.427 2.313 20 10 EECDLO CN1CCO[C@@]2(CCC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001276837636 1299852539 /nfs/dbraw/zinc/85/25/39/1299852539.db2.gz NVXPFGOGXLMRIX-INIZCTEOSA-N 1 2 328.815 2.481 20 10 EECDLO CN1CCO[C@@]2(CCC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001276837636 1299852557 /nfs/dbraw/zinc/85/25/57/1299852557.db2.gz NVXPFGOGXLMRIX-INIZCTEOSA-N 1 2 328.815 2.481 20 10 EECDLO C[N@@H+]1CCO[C@@]2(CCCN(Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001276837636 1299852562 /nfs/dbraw/zinc/85/25/62/1299852562.db2.gz NVXPFGOGXLMRIX-INIZCTEOSA-N 1 2 328.815 2.481 20 10 EECDLO C[N@H+]1CCO[C@@]2(CCCN(Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001276837636 1299852574 /nfs/dbraw/zinc/85/25/74/1299852574.db2.gz NVXPFGOGXLMRIX-INIZCTEOSA-N 1 2 328.815 2.481 20 10 EECDLO CCOc1ccc(N2CC[NH+](Cc3cnc(OC)cn3)CC2)cc1 ZINC001231940996 1303954111 /nfs/dbraw/zinc/95/41/11/1303954111.db2.gz NKRQEWJYXLOUDH-UHFFFAOYSA-N 1 2 328.416 2.206 20 10 EECDLO CCNC(=O)COC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237623397 1306010896 /nfs/dbraw/zinc/01/08/96/1306010896.db2.gz DNASFXQPYVCAKW-UHFFFAOYSA-N 1 2 344.814 2.302 20 10 EECDLO O=C(Cc1ccccc1)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137840019 1314500074 /nfs/dbraw/zinc/50/00/74/1314500074.db2.gz PHIKYRFGPODOHL-UHFFFAOYSA-N 1 2 328.387 2.418 20 10 EECDLO Oc1ccc(F)c(F)c1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1CCCC1 ZINC001276472136 1322173350 /nfs/dbraw/zinc/17/33/50/1322173350.db2.gz IVAOROIUTBCFJE-WBVHZDCISA-N 1 2 338.398 2.498 20 10 EECDLO Oc1ccc(F)c(F)c1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C1CCCC1 ZINC001276472136 1322173354 /nfs/dbraw/zinc/17/33/54/1322173354.db2.gz IVAOROIUTBCFJE-WBVHZDCISA-N 1 2 338.398 2.498 20 10 EECDLO COCCc1cc[nH+]c(N[C@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001591447721 1349487125 /nfs/dbraw/zinc/48/71/25/1349487125.db2.gz BLEDBFMOSMVUMO-LLVKDONJSA-N 1 2 340.387 2.329 20 10 EECDLO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603655894 1350734817 /nfs/dbraw/zinc/73/48/17/1350734817.db2.gz GBIIKWLHSKTPQG-NEPJUHHUSA-N 1 2 330.436 2.096 20 10 EECDLO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603657357 1350735899 /nfs/dbraw/zinc/73/58/99/1350735899.db2.gz LZYDSURNJKGPHT-NEPJUHHUSA-N 1 2 329.404 2.325 20 10 EECDLO C[C@@H]([NH2+]Cc1nc(-c2nn[nH]n2)cs1)c1ccc(N(C)C)cc1 ZINC001603672629 1350739810 /nfs/dbraw/zinc/73/98/10/1350739810.db2.gz VMGIDWAQPMWKIN-SNVBAGLBSA-N 1 2 329.433 2.240 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1cccc(-c2nn[nH]n2)c1O ZINC001604053320 1350840083 /nfs/dbraw/zinc/84/00/83/1350840083.db2.gz BKSCLFCIEQETNZ-UGFHNGPFSA-N 1 2 331.420 2.428 20 10 EECDLO CC[C@H]([NH2+]C1(C(=O)NCCOC)CC1)c1cccc(Cl)c1O ZINC000840825110 783019884 /nfs/dbraw/zinc/01/98/84/783019884.db2.gz SJZWSOSSTGQQAM-ZDUSSCGKSA-N 1 2 326.824 2.382 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000823576715 787805683 /nfs/dbraw/zinc/80/56/83/787805683.db2.gz WCDJUKKGCGJMSX-OAHLLOKOSA-N 1 2 347.411 2.243 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000823576715 787805696 /nfs/dbraw/zinc/80/56/96/787805696.db2.gz WCDJUKKGCGJMSX-OAHLLOKOSA-N 1 2 347.411 2.243 20 10 EECDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000789215004 807891329 /nfs/dbraw/zinc/89/13/29/807891329.db2.gz YZESSFZFWAPFSU-HZPDHXFCSA-N 1 2 348.491 2.176 20 10 EECDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1c(F)ccc(O)c1O ZINC000789981302 808312388 /nfs/dbraw/zinc/31/23/88/808312388.db2.gz XJTKGWCDQDKPMW-UHFFFAOYSA-N 1 2 327.315 2.353 20 10 EECDLO CCOCCOC1C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000297803925 465271106 /nfs/dbraw/zinc/27/11/06/465271106.db2.gz XRMKRWBWPZACBD-UHFFFAOYSA-N 1 2 330.222 2.392 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000066703964 462921994 /nfs/dbraw/zinc/92/19/94/462921994.db2.gz INVRPUUERCMEKI-HZPDHXFCSA-N 1 2 349.475 2.423 20 10 EECDLO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000079435080 463214423 /nfs/dbraw/zinc/21/44/23/463214423.db2.gz QUEFFHICHLNQII-NSHDSACASA-N 1 2 345.436 2.379 20 10 EECDLO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000079435080 463214427 /nfs/dbraw/zinc/21/44/27/463214427.db2.gz QUEFFHICHLNQII-NSHDSACASA-N 1 2 345.436 2.379 20 10 EECDLO Nc1c(NCc2ccc(N3CCCC3)cc2)[nH+]cnc1-n1cccn1 ZINC000178604589 463928885 /nfs/dbraw/zinc/92/88/85/463928885.db2.gz ZVAOKOQZLNDLDG-UHFFFAOYSA-N 1 2 335.415 2.457 20 10 EECDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278304857 463961242 /nfs/dbraw/zinc/96/12/42/463961242.db2.gz WEDNJFFQTBHIEG-UHFFFAOYSA-N 1 2 339.392 2.047 20 10 EECDLO CCCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OC ZINC000278547008 463969307 /nfs/dbraw/zinc/96/93/07/463969307.db2.gz YJACLHHUOFCAJI-LLVKDONJSA-N 1 2 326.349 2.130 20 10 EECDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000179493968 464145984 /nfs/dbraw/zinc/14/59/84/464145984.db2.gz ZKYSFLSLUYNVSD-UHFFFAOYSA-N 1 2 341.411 2.144 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(F)c(F)c1O ZINC000187878887 464170810 /nfs/dbraw/zinc/17/08/10/464170810.db2.gz QKXHQCBLPUZYMY-WDEREUQCSA-N 1 2 329.343 2.243 20 10 EECDLO CCn1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000294496418 464516992 /nfs/dbraw/zinc/51/69/92/464516992.db2.gz AQSCTUHBWFBSSP-INIZCTEOSA-N 1 2 330.432 2.493 20 10 EECDLO CCn1nc(C)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000294496418 464516997 /nfs/dbraw/zinc/51/69/97/464516997.db2.gz AQSCTUHBWFBSSP-INIZCTEOSA-N 1 2 330.432 2.493 20 10 EECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3occc3C)CC2)cc1 ZINC000299496020 465773323 /nfs/dbraw/zinc/77/33/23/465773323.db2.gz JWGWETAJMWCRJK-UHFFFAOYSA-N 1 2 343.427 2.149 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000349351106 466079372 /nfs/dbraw/zinc/07/93/72/466079372.db2.gz DWBCYLFILISQAJ-AWEZNQCLSA-N 1 2 344.459 2.007 20 10 EECDLO c1cc(N2CCOCC2)ccc1CNc1ccc(-c2cncnc2)c[nH+]1 ZINC000369152434 466716515 /nfs/dbraw/zinc/71/65/15/466716515.db2.gz NFYVPWRRXGVBFT-UHFFFAOYSA-N 1 2 347.422 2.987 20 10 EECDLO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000729512522 576662171 /nfs/dbraw/zinc/66/21/71/576662171.db2.gz NMNDTGPUMNSZTD-KRWDZBQOSA-N 1 2 346.519 2.127 20 10 EECDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775206720 577432705 /nfs/dbraw/zinc/43/27/05/577432705.db2.gz YBHAEEACWNZHIX-RISCZKNCSA-N 1 2 347.814 2.031 20 10 EECDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775206720 577432706 /nfs/dbraw/zinc/43/27/06/577432706.db2.gz YBHAEEACWNZHIX-RISCZKNCSA-N 1 2 347.814 2.031 20 10 EECDLO Oc1c(F)cc(Cl)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000775647199 577441680 /nfs/dbraw/zinc/44/16/80/577441680.db2.gz RLAXHHMLLYJDAC-AWEZNQCLSA-N 1 2 328.815 2.481 20 10 EECDLO COCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775648438 577441834 /nfs/dbraw/zinc/44/18/34/577441834.db2.gz ULYIVTHWUOFUCO-UHFFFAOYSA-N 1 2 344.814 2.159 20 10 EECDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770352916 577594449 /nfs/dbraw/zinc/59/44/49/577594449.db2.gz QCTSHFMGPPBJNR-ZBFHGGJFSA-N 1 2 349.431 2.167 20 10 EECDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770352916 577594450 /nfs/dbraw/zinc/59/44/50/577594450.db2.gz QCTSHFMGPPBJNR-ZBFHGGJFSA-N 1 2 349.431 2.167 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=S)NCc3ccon3)CC2)cc1 ZINC000764475434 577737069 /nfs/dbraw/zinc/73/70/69/577737069.db2.gz XLSDXSGIDWHTIC-UHFFFAOYSA-N 1 2 346.456 2.316 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@]12CCN(C)C2=O ZINC001273003889 1194310387 /nfs/dbraw/zinc/31/03/87/1194310387.db2.gz CGOMYJSNJOZOPQ-LJQANCHMSA-N 1 2 342.395 2.004 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@]12CCN(C)C2=O ZINC001273003889 1194310391 /nfs/dbraw/zinc/31/03/91/1194310391.db2.gz CGOMYJSNJOZOPQ-LJQANCHMSA-N 1 2 342.395 2.004 20 10 EECDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000875507835 1199276427 /nfs/dbraw/zinc/27/64/27/1199276427.db2.gz LJVLTUIHSZWUBC-RDJZCZTQSA-N 1 2 348.491 2.224 20 10 EECDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000875507835 1199276430 /nfs/dbraw/zinc/27/64/30/1199276430.db2.gz LJVLTUIHSZWUBC-RDJZCZTQSA-N 1 2 348.491 2.224 20 10 EECDLO O=C1N(C2COC2)CC[C@@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC001274227197 1204885448 /nfs/dbraw/zinc/88/54/48/1204885448.db2.gz DPFXWGIPNBWDSF-KRWDZBQOSA-N 1 2 336.819 2.011 20 10 EECDLO O=C1N(C2COC2)CC[C@@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001274227197 1204885452 /nfs/dbraw/zinc/88/54/52/1204885452.db2.gz DPFXWGIPNBWDSF-KRWDZBQOSA-N 1 2 336.819 2.011 20 10 EECDLO Oc1cccc(Cl)c1C[N@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001275217758 1205283981 /nfs/dbraw/zinc/28/39/81/1205283981.db2.gz ZDBMWMGERXIKPE-GASCZTMLSA-N 1 2 347.846 2.459 20 10 EECDLO Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001275217758 1205283982 /nfs/dbraw/zinc/28/39/82/1205283982.db2.gz ZDBMWMGERXIKPE-GASCZTMLSA-N 1 2 347.846 2.459 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000802116571 1236937336 /nfs/dbraw/zinc/93/73/36/1236937336.db2.gz JDHNHNHRANGFMK-INIZCTEOSA-N 1 2 349.475 2.425 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000802116571 1236937341 /nfs/dbraw/zinc/93/73/41/1236937341.db2.gz JDHNHNHRANGFMK-INIZCTEOSA-N 1 2 349.475 2.425 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2cn(C)nn2)c1O ZINC000827304905 1247846822 /nfs/dbraw/zinc/84/68/22/1247846822.db2.gz JHAPIUKOQUPBJN-UHFFFAOYSA-N 1 2 325.210 2.224 20 10 EECDLO Cc1cc(Br)cc(C[N@H+](C)Cc2cn(C)nn2)c1O ZINC000827304905 1247846832 /nfs/dbraw/zinc/84/68/32/1247846832.db2.gz JHAPIUKOQUPBJN-UHFFFAOYSA-N 1 2 325.210 2.224 20 10 EECDLO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(O)cc1Br ZINC001250128627 1278582561 /nfs/dbraw/zinc/58/25/61/1278582561.db2.gz IKOIHMDYEPRFJQ-GFCCVEGCSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)c(O)cc1Br ZINC001250128627 1278582567 /nfs/dbraw/zinc/58/25/67/1278582567.db2.gz IKOIHMDYEPRFJQ-GFCCVEGCSA-N 1 2 327.222 2.303 20 10 EECDLO C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1nnnn1C1CC1 ZINC000858160484 1294027888 /nfs/dbraw/zinc/02/78/88/1294027888.db2.gz KZKOVKSBTNDVIG-MRVPVSSYSA-N 1 2 338.209 2.327 20 10 EECDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194772 1304035329 /nfs/dbraw/zinc/03/53/29/1304035329.db2.gz LYUVDXHPDGQTIY-KGLIPLIRSA-N 1 2 328.815 2.081 20 10 EECDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194772 1304035336 /nfs/dbraw/zinc/03/53/36/1304035336.db2.gz LYUVDXHPDGQTIY-KGLIPLIRSA-N 1 2 328.815 2.081 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)Cc2nn(CC)cc21 ZINC001233483579 1304477105 /nfs/dbraw/zinc/47/71/05/1304477105.db2.gz FEFVWHXHZQMGHZ-ZDUSSCGKSA-N 1 2 347.415 2.156 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)Cc2nn(CC)cc21 ZINC001233483579 1304477110 /nfs/dbraw/zinc/47/71/10/1304477110.db2.gz FEFVWHXHZQMGHZ-ZDUSSCGKSA-N 1 2 347.415 2.156 20 10 EECDLO CCN(C(=O)[C@H]1CC12C[NH+](Cc1cc(O)c(O)c(OC)c1)C2)C(C)C ZINC001278235623 1308881831 /nfs/dbraw/zinc/88/18/31/1308881831.db2.gz MUMCKDDMFGMJIY-CQSZACIVSA-N 1 2 348.443 2.185 20 10 EECDLO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000840355065 1315355403 /nfs/dbraw/zinc/35/54/03/1315355403.db2.gz WMCXHOUZCGDDHK-OAHLLOKOSA-N 1 2 348.491 2.224 20 10 EECDLO Cn1nc(COCC2CC2)c2c1CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203876369 1321980167 /nfs/dbraw/zinc/98/01/67/1321980167.db2.gz BWUWBGNDZUSDKM-UHFFFAOYSA-N 1 2 343.427 2.316 20 10 EECDLO Cn1nc(COCC2CC2)c2c1CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203876369 1321980168 /nfs/dbraw/zinc/98/01/68/1321980168.db2.gz BWUWBGNDZUSDKM-UHFFFAOYSA-N 1 2 343.427 2.316 20 10 EECDLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931473 1321992806 /nfs/dbraw/zinc/99/28/06/1321992806.db2.gz QUUWYZYKVHDEIQ-OAHLLOKOSA-N 1 2 329.448 2.110 20 10 EECDLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931473 1321992811 /nfs/dbraw/zinc/99/28/11/1321992811.db2.gz QUUWYZYKVHDEIQ-OAHLLOKOSA-N 1 2 329.448 2.110 20 10 EECDLO COc1cccc(CC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001605317670 1351134531 /nfs/dbraw/zinc/13/45/31/1351134531.db2.gz UBXFBIRNRNHCGM-GFCCVEGCSA-N 1 2 339.399 2.474 20 10 EECDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)cc1 ZINC001323033188 1333372520 /nfs/dbraw/zinc/37/25/20/1333372520.db2.gz LGSQMDOPZYNMFZ-INIZCTEOSA-N 1 2 333.476 2.368 20 10 EECDLO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589951354 1349075492 /nfs/dbraw/zinc/07/54/92/1349075492.db2.gz CIZBJVLCTSMFHT-FFFUXKDYSA-N 1 2 329.404 2.036 20 10 EECDLO CCc1nnc(C[NH2+][C@@H](CC)c2cccc(-c3nn[nH]n3)c2O)s1 ZINC001590930450 1349417387 /nfs/dbraw/zinc/41/73/87/1349417387.db2.gz TVORCRGNPMAZJF-NSHDSACASA-N 1 2 345.432 2.227 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603665063 1350737764 /nfs/dbraw/zinc/73/77/64/1350737764.db2.gz XZEJUUQVJPOAOO-FFSVYQOJSA-N 1 2 343.431 2.286 20 10 EECDLO CN(C)c1cc(F)c(CN2CCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000862229808 1369525581 /nfs/dbraw/zinc/52/55/81/1369525581.db2.gz NRULXWYDAUGQDK-OAHLLOKOSA-N 1 2 339.430 2.327 20 10 EECDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C2=CC(=O)CS2)CC1 ZINC000821485630 786782188 /nfs/dbraw/zinc/78/21/88/786782188.db2.gz BNQULHBHWYKJFV-UHFFFAOYSA-N 1 2 345.424 2.094 20 10 EECDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000825279681 788549294 /nfs/dbraw/zinc/54/92/94/788549294.db2.gz UCOKVNFOLLQKMJ-LBPRGKRZSA-N 1 2 329.803 2.420 20 10 EECDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000825279681 788549301 /nfs/dbraw/zinc/54/93/01/788549301.db2.gz UCOKVNFOLLQKMJ-LBPRGKRZSA-N 1 2 329.803 2.420 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(OCC)cc1O)C1CCOCC1 ZINC000789580874 808071915 /nfs/dbraw/zinc/07/19/15/808071915.db2.gz MPKNYRDDDMBJHM-QGZVFWFLSA-N 1 2 337.416 2.239 20 10 EECDLO COc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)c(O)c1 ZINC000793102372 810143723 /nfs/dbraw/zinc/14/37/23/810143723.db2.gz IGPYZZNHBFXFII-UHFFFAOYSA-N 1 2 326.356 2.048 20 10 EECDLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000793210788 810208630 /nfs/dbraw/zinc/20/86/30/810208630.db2.gz YUPZAMHDGPJQRU-AWEZNQCLSA-N 1 2 328.416 2.056 20 10 EECDLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000793210788 810208634 /nfs/dbraw/zinc/20/86/34/810208634.db2.gz YUPZAMHDGPJQRU-AWEZNQCLSA-N 1 2 328.416 2.056 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000121582134 463161698 /nfs/dbraw/zinc/16/16/98/463161698.db2.gz DWPJTVMFUFWZFU-UHFFFAOYSA-N 1 2 334.391 2.178 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000121582134 463161703 /nfs/dbraw/zinc/16/17/03/463161703.db2.gz DWPJTVMFUFWZFU-UHFFFAOYSA-N 1 2 334.391 2.178 20 10 EECDLO Cc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(O)c1O ZINC000177669894 463761614 /nfs/dbraw/zinc/76/16/14/463761614.db2.gz MWQUNICFAVIJPG-UHFFFAOYSA-N 1 2 327.384 2.331 20 10 EECDLO CN(C)c1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1F ZINC000277654253 463924241 /nfs/dbraw/zinc/92/42/41/463924241.db2.gz YRBRXUSCBNMKGD-UHFFFAOYSA-N 1 2 331.395 2.130 20 10 EECDLO CN(C)c1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1F ZINC000277654253 463924248 /nfs/dbraw/zinc/92/42/48/463924248.db2.gz YRBRXUSCBNMKGD-UHFFFAOYSA-N 1 2 331.395 2.130 20 10 EECDLO CN(C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)S(C)(=O)=O ZINC000289331154 464074040 /nfs/dbraw/zinc/07/40/40/464074040.db2.gz GVJOEEBAOVBWNA-LBPRGKRZSA-N 1 2 346.880 2.149 20 10 EECDLO CN(C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)S(C)(=O)=O ZINC000289331154 464074032 /nfs/dbraw/zinc/07/40/32/464074032.db2.gz GVJOEEBAOVBWNA-LBPRGKRZSA-N 1 2 346.880 2.149 20 10 EECDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180186999 464261383 /nfs/dbraw/zinc/26/13/83/464261383.db2.gz DSSBJBVIWDNJSA-UHFFFAOYSA-N 1 2 346.880 2.292 20 10 EECDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188788219 464369271 /nfs/dbraw/zinc/36/92/71/464369271.db2.gz AYKBPUCGLHSVKT-QZTJIDSGSA-N 1 2 332.444 2.175 20 10 EECDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188788219 464369273 /nfs/dbraw/zinc/36/92/73/464369273.db2.gz AYKBPUCGLHSVKT-QZTJIDSGSA-N 1 2 332.444 2.175 20 10 EECDLO COc1ccc(N2CCC[N@@H+](Cc3nc([C@H](C)OC)no3)CC2)cc1 ZINC000175113084 464492706 /nfs/dbraw/zinc/49/27/06/464492706.db2.gz ZWUNOSIWVFWDJS-AWEZNQCLSA-N 1 2 346.431 2.498 20 10 EECDLO COc1ccc(N2CCC[N@H+](Cc3nc([C@H](C)OC)no3)CC2)cc1 ZINC000175113084 464492713 /nfs/dbraw/zinc/49/27/13/464492713.db2.gz ZWUNOSIWVFWDJS-AWEZNQCLSA-N 1 2 346.431 2.498 20 10 EECDLO C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000272566355 464661086 /nfs/dbraw/zinc/66/10/86/464661086.db2.gz FLDKLEZLWKUQQA-QMTHXVAHSA-N 1 2 325.796 2.480 20 10 EECDLO C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000272566355 464661095 /nfs/dbraw/zinc/66/10/95/464661095.db2.gz FLDKLEZLWKUQQA-QMTHXVAHSA-N 1 2 325.796 2.480 20 10 EECDLO C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000272566355 464661098 /nfs/dbraw/zinc/66/10/98/464661098.db2.gz FLDKLEZLWKUQQA-QMTHXVAHSA-N 1 2 325.796 2.480 20 10 EECDLO C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000272566355 464661102 /nfs/dbraw/zinc/66/11/02/464661102.db2.gz FLDKLEZLWKUQQA-QMTHXVAHSA-N 1 2 325.796 2.480 20 10 EECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265964149 464752043 /nfs/dbraw/zinc/75/20/43/464752043.db2.gz YUERDPBMYFJGJN-OAHLLOKOSA-N 1 2 325.416 2.147 20 10 EECDLO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000184515145 464987772 /nfs/dbraw/zinc/98/77/72/464987772.db2.gz SQQUPLYWGLALHW-QGZVFWFLSA-N 1 2 345.443 2.281 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000184702453 465020064 /nfs/dbraw/zinc/02/00/64/465020064.db2.gz VBJKEQQRGZDDSG-DZGCQCFKSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000184702453 465020065 /nfs/dbraw/zinc/02/00/65/465020065.db2.gz VBJKEQQRGZDDSG-DZGCQCFKSA-N 1 2 327.808 2.434 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000367859763 466547325 /nfs/dbraw/zinc/54/73/25/466547325.db2.gz QMUXVXGDDYRMJO-LLVKDONJSA-N 1 2 345.848 2.115 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000367859763 466547332 /nfs/dbraw/zinc/54/73/32/466547332.db2.gz QMUXVXGDDYRMJO-LLVKDONJSA-N 1 2 345.848 2.115 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000378429449 467299332 /nfs/dbraw/zinc/29/93/32/467299332.db2.gz AMIJYZLMYRNIGT-QGZVFWFLSA-N 1 2 341.459 2.271 20 10 EECDLO c1coc(C[NH+]2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000768214005 577552242 /nfs/dbraw/zinc/55/22/42/577552242.db2.gz DTGYDOIPBZYRIQ-UHFFFAOYSA-N 1 2 341.455 2.434 20 10 EECDLO O=C(NCCc1ccc(O)c(O)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000762261123 577698253 /nfs/dbraw/zinc/69/82/53/577698253.db2.gz HNBMADJDPCEYQY-UHFFFAOYSA-N 1 2 337.379 2.315 20 10 EECDLO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC[S@@](=O)C1 ZINC000763646718 577723814 /nfs/dbraw/zinc/72/38/14/577723814.db2.gz AJYOJCZDGUHFLZ-XTZNXHDOSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[S@@](=O)C1 ZINC000763646718 577723815 /nfs/dbraw/zinc/72/38/15/577723815.db2.gz AJYOJCZDGUHFLZ-XTZNXHDOSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1=CC(=O)CS1 ZINC000743505026 577886543 /nfs/dbraw/zinc/88/65/43/577886543.db2.gz PRJZYUNLGBGQOA-CQSZACIVSA-N 1 2 345.468 2.394 20 10 EECDLO C[N@H+](Cc1nnc(C2CC2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000125684479 694107570 /nfs/dbraw/zinc/10/75/70/694107570.db2.gz QROPIYNRWLWAJA-UHFFFAOYSA-N 1 2 328.416 2.416 20 10 EECDLO C[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000125684479 694107573 /nfs/dbraw/zinc/10/75/73/694107573.db2.gz QROPIYNRWLWAJA-UHFFFAOYSA-N 1 2 328.416 2.416 20 10 EECDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000865030707 1198053869 /nfs/dbraw/zinc/05/38/69/1198053869.db2.gz CHSBASQDXMIFLW-SNAWJCMRSA-N 1 2 343.471 2.182 20 10 EECDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810230842 1199366675 /nfs/dbraw/zinc/36/66/75/1199366675.db2.gz LQVFRCWOAABSLB-LLVKDONJSA-N 1 2 326.356 2.498 20 10 EECDLO CC(C)[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000778241942 1207948261 /nfs/dbraw/zinc/94/82/61/1207948261.db2.gz ILAAZPLXCCDGJH-SFHVURJKSA-N 1 2 333.476 2.068 20 10 EECDLO CC(C)[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000778241942 1207948265 /nfs/dbraw/zinc/94/82/65/1207948265.db2.gz ILAAZPLXCCDGJH-SFHVURJKSA-N 1 2 333.476 2.068 20 10 EECDLO CC(C)CNC(=O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715804582 1277767323 /nfs/dbraw/zinc/76/73/23/1277767323.db2.gz PQUSTJJMXYTHLT-UHFFFAOYSA-N 1 2 333.201 2.156 20 10 EECDLO Cc1cc(C(=O)C[N@H+](CCO)CCCO)c(C)n1-c1ccc(C)cc1 ZINC000109797895 1291785481 /nfs/dbraw/zinc/78/54/81/1291785481.db2.gz GHCQVLNRBJNBKO-UHFFFAOYSA-N 1 2 344.455 2.262 20 10 EECDLO Cc1cc(C(=O)C[N@@H+](CCO)CCCO)c(C)n1-c1ccc(C)cc1 ZINC000109797895 1291785484 /nfs/dbraw/zinc/78/54/84/1291785484.db2.gz GHCQVLNRBJNBKO-UHFFFAOYSA-N 1 2 344.455 2.262 20 10 EECDLO CC(C)(C)NC(=O)c1[nH]nc2c1C[N@H+](Cc1c(O)cccc1F)CC2 ZINC001277484145 1303611448 /nfs/dbraw/zinc/61/14/48/1303611448.db2.gz KPEQMXUQLBOKNU-UHFFFAOYSA-N 1 2 346.406 2.341 20 10 EECDLO CC(C)(C)NC(=O)c1[nH]nc2c1C[N@@H+](Cc1c(O)cccc1F)CC2 ZINC001277484145 1303611453 /nfs/dbraw/zinc/61/14/53/1303611453.db2.gz KPEQMXUQLBOKNU-UHFFFAOYSA-N 1 2 346.406 2.341 20 10 EECDLO COC(=O)c1c(C[N@@H+]2CCN(C(C)=O)[C@@H](C)C2)c2ccccc2n1C ZINC001232403689 1304109002 /nfs/dbraw/zinc/10/90/02/1304109002.db2.gz AULNPJSBRCYCGX-ZDUSSCGKSA-N 1 2 343.427 2.018 20 10 EECDLO COC(=O)c1c(C[N@H+]2CCN(C(C)=O)[C@@H](C)C2)c2ccccc2n1C ZINC001232403689 1304109004 /nfs/dbraw/zinc/10/90/04/1304109004.db2.gz AULNPJSBRCYCGX-ZDUSSCGKSA-N 1 2 343.427 2.018 20 10 EECDLO COc1cc(C[NH+]2CC3(CC(O)C3)C2)c(O)cc1Br ZINC001236745516 1305656100 /nfs/dbraw/zinc/65/61/00/1305656100.db2.gz PPVJAQRIIOFHRK-UHFFFAOYSA-N 1 2 328.206 2.120 20 10 EECDLO CC(=O)[C@H]1CC[N@H+](Cc2cccc(I)c2O)C1 ZINC001237781897 1306089732 /nfs/dbraw/zinc/08/97/32/1306089732.db2.gz BJOAFZBKOZZNBS-JTQLQIEISA-N 1 2 345.180 2.408 20 10 EECDLO CC(=O)[C@H]1CC[N@@H+](Cc2cccc(I)c2O)C1 ZINC001237781897 1306089744 /nfs/dbraw/zinc/08/97/44/1306089744.db2.gz BJOAFZBKOZZNBS-JTQLQIEISA-N 1 2 345.180 2.408 20 10 EECDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001140957629 1314996769 /nfs/dbraw/zinc/99/67/69/1314996769.db2.gz GEESBJLYEHRMFH-HNNXBMFYSA-N 1 2 336.432 2.426 20 10 EECDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001140957629 1314996773 /nfs/dbraw/zinc/99/67/73/1314996773.db2.gz GEESBJLYEHRMFH-HNNXBMFYSA-N 1 2 336.432 2.426 20 10 EECDLO Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000841302091 1315525076 /nfs/dbraw/zinc/52/50/76/1315525076.db2.gz LNZBEVNOXPNANU-UHFFFAOYSA-N 1 2 340.427 2.423 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2nnn(C)c21 ZINC001203608118 1321922319 /nfs/dbraw/zinc/92/23/19/1321922319.db2.gz IKBHMHFDUFUTPC-AWEZNQCLSA-N 1 2 346.431 2.055 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2nnn(C)c21 ZINC001203608118 1321922323 /nfs/dbraw/zinc/92/23/23/1321922323.db2.gz IKBHMHFDUFUTPC-AWEZNQCLSA-N 1 2 346.431 2.055 20 10 EECDLO CC(C)NC(=O)N1CCC2(C[NH+](Cc3c(O)ccc(F)c3F)C2)C1 ZINC001276471381 1322168510 /nfs/dbraw/zinc/16/85/10/1322168510.db2.gz DBQWCIRGYKBVEC-UHFFFAOYSA-N 1 2 339.386 2.296 20 10 EECDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001276538090 1324002905 /nfs/dbraw/zinc/00/29/05/1324002905.db2.gz SIEWBAMHQDTPSW-IYBDPMFKSA-N 1 2 343.402 2.277 20 10 EECDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001276538090 1324002916 /nfs/dbraw/zinc/00/29/16/1324002916.db2.gz SIEWBAMHQDTPSW-IYBDPMFKSA-N 1 2 343.402 2.277 20 10 EECDLO CCOC1CC(CC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)C1 ZINC001604407935 1350931130 /nfs/dbraw/zinc/93/11/30/1350931130.db2.gz BCBVNXZIDYCBKM-PNESKVBLSA-N 1 2 331.420 2.428 20 10 EECDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)n1C ZINC001340514495 1337200123 /nfs/dbraw/zinc/20/01/23/1337200123.db2.gz JTJUHKSZPRSTKE-GFCCVEGCSA-N 1 2 349.866 2.464 20 10 EECDLO CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc(-c2nn[nH]n2)c1O ZINC001590469583 1349345116 /nfs/dbraw/zinc/34/51/16/1349345116.db2.gz KUSIQQMHLWMNAE-RYUDHWBXSA-N 1 2 339.346 2.037 20 10 EECDLO CC[C@@H]([NH2+]CC(CC)(CC)CO)c1cccc(-c2nn[nH]n2)c1O ZINC001604056261 1350842185 /nfs/dbraw/zinc/84/21/85/1350842185.db2.gz RNMYNTSHCITQBV-CQSZACIVSA-N 1 2 333.436 2.412 20 10 EECDLO CC[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1cccc(Cl)c1O ZINC000886704622 1369648480 /nfs/dbraw/zinc/64/84/80/1369648480.db2.gz KMNYWZRQXLABAS-LLVKDONJSA-N 1 2 333.779 2.018 20 10 EECDLO C[N@H+](Cc1cccc(Cl)c1O)Cc1ccccc1S(N)(=O)=O ZINC000816626989 784139588 /nfs/dbraw/zinc/13/95/88/784139588.db2.gz BLBDPUVKEQDGRL-UHFFFAOYSA-N 1 2 340.832 2.325 20 10 EECDLO C[N@@H+](Cc1cccc(Cl)c1O)Cc1ccccc1S(N)(=O)=O ZINC000816626989 784139592 /nfs/dbraw/zinc/13/95/92/784139592.db2.gz BLBDPUVKEQDGRL-UHFFFAOYSA-N 1 2 340.832 2.325 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1 ZINC000823576500 787803039 /nfs/dbraw/zinc/80/30/39/787803039.db2.gz QMHKJWXFBFNJCF-GOSISDBHSA-N 1 2 329.396 2.491 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1 ZINC000823576500 787803050 /nfs/dbraw/zinc/80/30/50/787803050.db2.gz QMHKJWXFBFNJCF-GOSISDBHSA-N 1 2 329.396 2.491 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1O ZINC000824913614 788344917 /nfs/dbraw/zinc/34/49/17/788344917.db2.gz CKVYBGFSSAPODZ-CYBMUJFWSA-N 1 2 347.864 2.453 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1O ZINC000824913614 788344923 /nfs/dbraw/zinc/34/49/23/788344923.db2.gz CKVYBGFSSAPODZ-CYBMUJFWSA-N 1 2 347.864 2.453 20 10 EECDLO Oc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c1 ZINC001144520365 789905381 /nfs/dbraw/zinc/90/53/81/789905381.db2.gz MYLDDSDNJJRYQS-OAHLLOKOSA-N 1 2 328.359 2.109 20 10 EECDLO Cn1c[nH+]cc1CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715768955 795501166 /nfs/dbraw/zinc/50/11/66/795501166.db2.gz HJEDYQLOBXXTFK-UHFFFAOYSA-N 1 2 328.185 2.360 20 10 EECDLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715803711 795536698 /nfs/dbraw/zinc/53/66/98/795536698.db2.gz IYZZEFNOOSEUGF-QMMMGPOBSA-N 1 2 333.201 2.250 20 10 EECDLO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(Br)cc(F)c1O ZINC000788627396 807612865 /nfs/dbraw/zinc/61/28/65/807612865.db2.gz XAKOYNUKVKFYDY-UINNMSKDSA-N 1 2 348.212 2.484 20 10 EECDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000789215001 807891416 /nfs/dbraw/zinc/89/14/16/807891416.db2.gz YZESSFZFWAPFSU-HOTGVXAUSA-N 1 2 348.491 2.176 20 10 EECDLO CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000127978170 462599003 /nfs/dbraw/zinc/59/90/03/462599003.db2.gz PDYXKJZDXYVVNF-INIZCTEOSA-N 1 2 339.443 2.226 20 10 EECDLO COCC[C@H]1COCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000291208350 464148482 /nfs/dbraw/zinc/14/84/82/464148482.db2.gz KMLONFACBZZJJT-AWEZNQCLSA-N 1 2 327.808 2.486 20 10 EECDLO COCC[C@H]1COCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000291208350 464148490 /nfs/dbraw/zinc/14/84/90/464148490.db2.gz KMLONFACBZZJJT-AWEZNQCLSA-N 1 2 327.808 2.486 20 10 EECDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(O)c1O ZINC000188073318 464193362 /nfs/dbraw/zinc/19/33/62/464193362.db2.gz BPSFYXJEOWLRSZ-UHFFFAOYSA-N 1 2 328.368 2.182 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCc2[nH+]ccn2C)cc1F ZINC000264616659 464395476 /nfs/dbraw/zinc/39/54/76/464395476.db2.gz NXGNDZHONXFCLV-UHFFFAOYSA-N 1 2 333.411 2.405 20 10 EECDLO COCCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(OC)c(OC)c1 ZINC000276620768 465005307 /nfs/dbraw/zinc/00/53/07/465005307.db2.gz QXIVYZSGELQROC-QPJJXVBHSA-N 1 2 331.372 2.120 20 10 EECDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000371449055 465801184 /nfs/dbraw/zinc/80/11/84/465801184.db2.gz DXQAVNXCZOVOIW-OAHLLOKOSA-N 1 2 338.835 2.155 20 10 EECDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768190937 577551779 /nfs/dbraw/zinc/55/17/79/577551779.db2.gz GGSPGNCEEPBJOA-UHFFFAOYSA-N 1 2 334.420 2.105 20 10 EECDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768190937 577551780 /nfs/dbraw/zinc/55/17/80/577551780.db2.gz GGSPGNCEEPBJOA-UHFFFAOYSA-N 1 2 334.420 2.105 20 10 EECDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769467074 577578517 /nfs/dbraw/zinc/57/85/17/577578517.db2.gz SEUXIEPNIYATRI-GJDIJTJZSA-N 1 2 340.464 2.004 20 10 EECDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769467074 577578518 /nfs/dbraw/zinc/57/85/18/577578518.db2.gz SEUXIEPNIYATRI-GJDIJTJZSA-N 1 2 340.464 2.004 20 10 EECDLO CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769467531 577578536 /nfs/dbraw/zinc/57/85/36/577578536.db2.gz XUUGEUYHPAJDRX-INIZCTEOSA-N 1 2 337.416 2.333 20 10 EECDLO CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769467531 577578537 /nfs/dbraw/zinc/57/85/37/577578537.db2.gz XUUGEUYHPAJDRX-INIZCTEOSA-N 1 2 337.416 2.333 20 10 EECDLO Cc1nc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc[nH+]1 ZINC000742396250 577872305 /nfs/dbraw/zinc/87/23/05/577872305.db2.gz ORYJEMHUSRFEIU-HNNXBMFYSA-N 1 2 325.416 2.099 20 10 EECDLO CN(C)c1ccc([C@@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C)cc1 ZINC000891249737 676244590 /nfs/dbraw/zinc/24/45/90/676244590.db2.gz WDRJCEVPFHHDCB-OLZOCXBDSA-N 1 2 335.345 2.372 20 10 EECDLO CN(C)c1ccc([C@@H](CNC(=O)[C@H](F)C(F)(F)F)[NH+](C)C)cc1 ZINC000891249737 676244592 /nfs/dbraw/zinc/24/45/92/676244592.db2.gz WDRJCEVPFHHDCB-OLZOCXBDSA-N 1 2 335.345 2.372 20 10 EECDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1CC(C)(C)OC1=O ZINC000123628138 1197731391 /nfs/dbraw/zinc/73/13/91/1197731391.db2.gz IKQBROUHANKXJM-UHFFFAOYSA-N 1 2 333.432 2.143 20 10 EECDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1CC(C)(C)OC1=O ZINC000123628138 1197731398 /nfs/dbraw/zinc/73/13/98/1197731398.db2.gz IKQBROUHANKXJM-UHFFFAOYSA-N 1 2 333.432 2.143 20 10 EECDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cccc2F)C1=O ZINC001273266463 1197890997 /nfs/dbraw/zinc/89/09/97/1197890997.db2.gz YTWKMIWMVLFGDP-XIKOKIGWSA-N 1 2 334.391 2.076 20 10 EECDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2c(O)cccc2F)C1=O ZINC001273266463 1197891004 /nfs/dbraw/zinc/89/10/04/1197891004.db2.gz YTWKMIWMVLFGDP-XIKOKIGWSA-N 1 2 334.391 2.076 20 10 EECDLO CC(=O)c1cc(Cl)cc(Cn2cc(C[NH+]3CCCC3)nn2)c1O ZINC000880999508 1201619543 /nfs/dbraw/zinc/61/95/43/1201619543.db2.gz OVYIXRWBTPGSCH-UHFFFAOYSA-N 1 2 334.807 2.484 20 10 EECDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ncnn1C ZINC000883101403 1202012431 /nfs/dbraw/zinc/01/24/31/1202012431.db2.gz HGTPSJDBBDVBBZ-SSDOTTSWSA-N 1 2 329.173 2.273 20 10 EECDLO Oc1cc(Cl)ccc1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001275271184 1205295455 /nfs/dbraw/zinc/29/54/55/1205295455.db2.gz KNXYSOFTBVUMDW-UHFFFAOYSA-N 1 2 332.835 2.477 20 10 EECDLO Oc1c(F)ccc(F)c1CN1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001275362548 1205322051 /nfs/dbraw/zinc/32/20/51/1205322051.db2.gz ODZGSCVWPMKOMY-OKILXGFUSA-N 1 2 338.398 2.498 20 10 EECDLO Oc1c(F)ccc(F)c1CN1C[C@@H]2C[N@@H+](C3CCCC3)C[C@H](C1)O2 ZINC001275362548 1205322053 /nfs/dbraw/zinc/32/20/53/1205322053.db2.gz ODZGSCVWPMKOMY-OKILXGFUSA-N 1 2 338.398 2.498 20 10 EECDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000188670296 1208785821 /nfs/dbraw/zinc/78/58/21/1208785821.db2.gz DGTYRLWVXKKMQK-UHFFFAOYSA-N 1 2 344.484 2.222 20 10 EECDLO O=c1cccc(CN2CCC3(C[NH+](Cc4c(O)cccc4F)C3)C2)[nH]1 ZINC001276353958 1213898024 /nfs/dbraw/zinc/89/80/24/1213898024.db2.gz AMLXABDUEDHYPT-UHFFFAOYSA-N 1 2 343.402 2.340 20 10 EECDLO COCCCNC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970827 1213926484 /nfs/dbraw/zinc/92/64/84/1213926484.db2.gz OKAVFLBQAAMLGK-UHFFFAOYSA-N 1 2 332.400 2.140 20 10 EECDLO COCCCNC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970827 1213926489 /nfs/dbraw/zinc/92/64/89/1213926489.db2.gz OKAVFLBQAAMLGK-UHFFFAOYSA-N 1 2 332.400 2.140 20 10 EECDLO Cc1nc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[nH]c1C ZINC000850324234 1277171464 /nfs/dbraw/zinc/17/14/64/1277171464.db2.gz ZHOMJWMNMFSKAQ-UHFFFAOYSA-N 1 2 336.386 2.431 20 10 EECDLO OCCC[N@@H+]1CCC[C@@H]1CNCc1c(O)cccc1Br ZINC000858170195 1294031110 /nfs/dbraw/zinc/03/11/10/1294031110.db2.gz JCNUGACKAPAEGP-GFCCVEGCSA-N 1 2 343.265 2.091 20 10 EECDLO OCCC[N@H+]1CCC[C@@H]1CNCc1c(O)cccc1Br ZINC000858170195 1294031115 /nfs/dbraw/zinc/03/11/15/1294031115.db2.gz JCNUGACKAPAEGP-GFCCVEGCSA-N 1 2 343.265 2.091 20 10 EECDLO CCN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)OC)CC[C@@H]2C(=O)OC)cc1 ZINC000859600417 1294540364 /nfs/dbraw/zinc/54/03/64/1294540364.db2.gz CXRLJUPWCPSHGJ-NVXWUHKLSA-N 1 2 348.443 2.069 20 10 EECDLO CCN(C)c1ccc(C[N@H+]2C[C@H](C(=O)OC)CC[C@@H]2C(=O)OC)cc1 ZINC000859600417 1294540382 /nfs/dbraw/zinc/54/03/82/1294540382.db2.gz CXRLJUPWCPSHGJ-NVXWUHKLSA-N 1 2 348.443 2.069 20 10 EECDLO Cn1ccnc1NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001277456191 1303215548 /nfs/dbraw/zinc/21/55/48/1303215548.db2.gz CIWXHAAUCMXATL-PXAZEXFGSA-N 1 2 346.818 2.382 20 10 EECDLO Cn1ccnc1NC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277456191 1303215554 /nfs/dbraw/zinc/21/55/54/1303215554.db2.gz CIWXHAAUCMXATL-PXAZEXFGSA-N 1 2 346.818 2.382 20 10 EECDLO FCCN1CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232202816 1304036350 /nfs/dbraw/zinc/03/63/50/1304036350.db2.gz HHEBNVYCINKCLG-UHFFFAOYSA-N 1 2 341.858 2.264 20 10 EECDLO Cc1cnc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)nc1 ZINC001232263593 1304057462 /nfs/dbraw/zinc/05/74/62/1304057462.db2.gz BEAACNLPUBBVMA-UHFFFAOYSA-N 1 2 334.807 2.172 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)cc1Cl ZINC001232271104 1304061571 /nfs/dbraw/zinc/06/15/71/1304061571.db2.gz NKACZJOQHMOHOX-RYUDHWBXSA-N 1 2 340.851 2.348 20 10 EECDLO COC(=O)c1c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c2ccccc2n1C ZINC001232403396 1304109151 /nfs/dbraw/zinc/10/91/51/1304109151.db2.gz XKUBDXSJEDLUGV-CHWSQXEVSA-N 1 2 334.391 2.117 20 10 EECDLO COC(=O)c1c(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)c2ccccc2n1C ZINC001232403396 1304109155 /nfs/dbraw/zinc/10/91/55/1304109155.db2.gz XKUBDXSJEDLUGV-CHWSQXEVSA-N 1 2 334.391 2.117 20 10 EECDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483617 1304477254 /nfs/dbraw/zinc/47/72/54/1304477254.db2.gz GMGNKVLEISOMAV-NSHDSACASA-N 1 2 338.404 2.245 20 10 EECDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233483617 1304477256 /nfs/dbraw/zinc/47/72/56/1304477256.db2.gz GMGNKVLEISOMAV-NSHDSACASA-N 1 2 338.404 2.245 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233486161 1304478376 /nfs/dbraw/zinc/47/83/76/1304478376.db2.gz AZJDGQDKBIJFTB-UHFFFAOYSA-N 1 2 342.395 2.070 20 10 EECDLO Oc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cc1O ZINC001233487694 1304479648 /nfs/dbraw/zinc/47/96/48/1304479648.db2.gz OPJZQBKKLKIJOH-MRXNPFEDSA-N 1 2 342.386 2.499 20 10 EECDLO C[N@H+](CCC1OCCO1)Cc1cc(F)cc(Br)c1O ZINC001235304167 1305184017 /nfs/dbraw/zinc/18/40/17/1305184017.db2.gz STSJUWNQWSGHRZ-UHFFFAOYSA-N 1 2 334.185 2.489 20 10 EECDLO C[N@@H+](CCC1OCCO1)Cc1cc(F)cc(Br)c1O ZINC001235304167 1305184021 /nfs/dbraw/zinc/18/40/21/1305184021.db2.gz STSJUWNQWSGHRZ-UHFFFAOYSA-N 1 2 334.185 2.489 20 10 EECDLO COc1ccc(C[N@H+]2CC[C@H](Oc3cnccn3)C2)c(O)c1Cl ZINC001236818308 1305689051 /nfs/dbraw/zinc/68/90/51/1305689051.db2.gz LXJOOHZOXCYFAT-LBPRGKRZSA-N 1 2 335.791 2.498 20 10 EECDLO Oc1c(I)cccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001237790329 1306093813 /nfs/dbraw/zinc/09/38/13/1306093813.db2.gz ZPFAHIWISMLTGL-CYBMUJFWSA-N 1 2 345.180 2.362 20 10 EECDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1cc(F)c(Cl)cc1O ZINC001237933706 1306152896 /nfs/dbraw/zinc/15/28/96/1306152896.db2.gz GACHZSVZTSHKFY-UFBFGSQYSA-N 1 2 343.704 2.045 20 10 EECDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1cc(F)c(Cl)cc1O ZINC001237933706 1306152900 /nfs/dbraw/zinc/15/29/00/1306152900.db2.gz GACHZSVZTSHKFY-UFBFGSQYSA-N 1 2 343.704 2.045 20 10 EECDLO CC(=O)N(C)C1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139129495 1314708156 /nfs/dbraw/zinc/70/81/56/1314708156.db2.gz AGKSSHRJYCPBPX-UHFFFAOYSA-N 1 2 344.411 2.250 20 10 EECDLO CCS(=O)(=O)N1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143112472 1315865899 /nfs/dbraw/zinc/86/58/99/1315865899.db2.gz RRBKJGMGVLUTDT-UHFFFAOYSA-N 1 2 340.489 2.157 20 10 EECDLO [NH3+][C@@H]1CN(Cc2cc(F)cc(Br)c2O)CCC1(F)F ZINC001206683017 1321437383 /nfs/dbraw/zinc/43/73/83/1321437383.db2.gz IAVPZMJVCOVKKD-SNVBAGLBSA-N 1 2 339.155 2.462 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnc(OC)nc3)CC2)c(C)c1 ZINC001206431406 1323491246 /nfs/dbraw/zinc/49/12/46/1323491246.db2.gz BTZZBQXRQIADCA-UHFFFAOYSA-N 1 2 328.416 2.124 20 10 EECDLO CC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323806156 1333543271 /nfs/dbraw/zinc/54/32/71/1333543271.db2.gz FJTKZFYTILHNFK-UHFFFAOYSA-N 1 2 336.499 2.351 20 10 EECDLO CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323806156 1333543273 /nfs/dbraw/zinc/54/32/73/1333543273.db2.gz FJTKZFYTILHNFK-UHFFFAOYSA-N 1 2 336.499 2.351 20 10 EECDLO O=C(NCc1ccc(O)cc1O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001332189949 1335759625 /nfs/dbraw/zinc/75/96/25/1335759625.db2.gz PAIQGHVWDVHESA-QGZVFWFLSA-N 1 2 341.411 2.164 20 10 EECDLO O=C(NCc1ccc(O)cc1O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001332189949 1335759627 /nfs/dbraw/zinc/75/96/27/1335759627.db2.gz PAIQGHVWDVHESA-QGZVFWFLSA-N 1 2 341.411 2.164 20 10 EECDLO C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cccc(-c2nn[nH]n2)c1O ZINC001603552183 1350719085 /nfs/dbraw/zinc/71/90/85/1350719085.db2.gz SSLVZSUOUTWEGM-NWDGAFQWSA-N 1 2 347.419 2.012 20 10 EECDLO C[C@H]([NH2+]CC1(CO)CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603657916 1350735668 /nfs/dbraw/zinc/73/56/68/1350735668.db2.gz QJXCYJMXWHQJDF-LBPRGKRZSA-N 1 2 331.420 2.166 20 10 EECDLO CCc1nc(CC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)cs1 ZINC001604555192 1350960575 /nfs/dbraw/zinc/96/05/75/1350960575.db2.gz GOYNYXZTUJYYAS-JTQLQIEISA-N 1 2 344.444 2.485 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140850303 1372695830 /nfs/dbraw/zinc/69/58/30/1372695830.db2.gz IODHLAYMWNEQJO-MRXNPFEDSA-N 1 2 348.443 2.193 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140850303 1372695834 /nfs/dbraw/zinc/69/58/34/1372695834.db2.gz IODHLAYMWNEQJO-MRXNPFEDSA-N 1 2 348.443 2.193 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2O)CCC1=O ZINC001140850303 1372695838 /nfs/dbraw/zinc/69/58/38/1372695838.db2.gz IODHLAYMWNEQJO-MRXNPFEDSA-N 1 2 348.443 2.193 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2O)CCC1=O ZINC001140850303 1372695847 /nfs/dbraw/zinc/69/58/47/1372695847.db2.gz IODHLAYMWNEQJO-MRXNPFEDSA-N 1 2 348.443 2.193 20 10 EECDLO OCc1cn([C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000816641643 784164765 /nfs/dbraw/zinc/16/47/65/784164765.db2.gz APMLYUNTTQKHLM-LLVKDONJSA-N 1 2 340.786 2.106 20 10 EECDLO OCc1cn([C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000816641643 784164767 /nfs/dbraw/zinc/16/47/67/784164767.db2.gz APMLYUNTTQKHLM-LLVKDONJSA-N 1 2 340.786 2.106 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)CC(F)(F)F ZINC000823576562 787805479 /nfs/dbraw/zinc/80/54/79/787805479.db2.gz SOHOQZVQSYWCQI-LBPRGKRZSA-N 1 2 335.322 2.071 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)CC(F)(F)F ZINC000823576562 787805495 /nfs/dbraw/zinc/80/54/95/787805495.db2.gz SOHOQZVQSYWCQI-LBPRGKRZSA-N 1 2 335.322 2.071 20 10 EECDLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000824976417 788384982 /nfs/dbraw/zinc/38/49/82/788384982.db2.gz AYYJETANEMFBRW-HNNXBMFYSA-N 1 2 329.849 2.446 20 10 EECDLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000824976417 788384988 /nfs/dbraw/zinc/38/49/88/788384988.db2.gz AYYJETANEMFBRW-HNNXBMFYSA-N 1 2 329.849 2.446 20 10 EECDLO CC[N@H+](Cc1nncn1C)Cc1cc(Br)ccc1O ZINC000173993072 791931407 /nfs/dbraw/zinc/93/14/07/791931407.db2.gz LHEBPGHVOIBFHF-UHFFFAOYSA-N 1 2 325.210 2.305 20 10 EECDLO CC[N@@H+](Cc1nncn1C)Cc1cc(Br)ccc1O ZINC000173993072 791931408 /nfs/dbraw/zinc/93/14/08/791931408.db2.gz LHEBPGHVOIBFHF-UHFFFAOYSA-N 1 2 325.210 2.305 20 10 EECDLO COC(=O)N(C)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715714051 795483734 /nfs/dbraw/zinc/48/37/34/795483734.db2.gz UXYCONQEAGSLSE-UHFFFAOYSA-N 1 2 335.173 2.082 20 10 EECDLO CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc(Cl)c1O ZINC000806132730 811761591 /nfs/dbraw/zinc/76/15/91/811761591.db2.gz ZEHRLMHANOFJDM-ZDUSSCGKSA-N 1 2 334.869 2.368 20 10 EECDLO CN(C)c1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000105786428 529782382 /nfs/dbraw/zinc/78/23/82/529782382.db2.gz LROGCPDAWRJKMF-INIZCTEOSA-N 1 2 341.459 2.363 20 10 EECDLO CN(C)c1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000105786428 529782383 /nfs/dbraw/zinc/78/23/83/529782383.db2.gz LROGCPDAWRJKMF-INIZCTEOSA-N 1 2 341.459 2.363 20 10 EECDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(Br)ccc1O ZINC000093643196 237049248 /nfs/dbraw/zinc/04/92/48/237049248.db2.gz QLQNQTKYAALFCA-UHFFFAOYSA-N 1 2 336.251 2.021 20 10 EECDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000093643196 237049256 /nfs/dbraw/zinc/04/92/56/237049256.db2.gz QLQNQTKYAALFCA-UHFFFAOYSA-N 1 2 336.251 2.021 20 10 EECDLO CCOCCCNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000065538902 462793733 /nfs/dbraw/zinc/79/37/33/462793733.db2.gz KBTDFFLHUHWCEU-UHFFFAOYSA-N 1 2 335.448 2.390 20 10 EECDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000160589543 463353026 /nfs/dbraw/zinc/35/30/26/463353026.db2.gz UZUJJYXQGLAXSF-UHFFFAOYSA-N 1 2 342.443 2.213 20 10 EECDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000160589543 463353031 /nfs/dbraw/zinc/35/30/31/463353031.db2.gz UZUJJYXQGLAXSF-UHFFFAOYSA-N 1 2 342.443 2.213 20 10 EECDLO CC[C@H]([NH2+]CCS(=O)(=O)NC)c1cc(Cl)cc(Cl)c1O ZINC000287686011 463969154 /nfs/dbraw/zinc/96/91/54/463969154.db2.gz MYALINQFYURSRR-NSHDSACASA-N 1 2 341.260 2.289 20 10 EECDLO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1O ZINC000287765719 463993086 /nfs/dbraw/zinc/99/30/86/463993086.db2.gz REFRFIFIJVBBDX-BXUZGUMPSA-N 1 2 346.880 2.368 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1F ZINC000188779590 464367463 /nfs/dbraw/zinc/36/74/63/464367463.db2.gz QCMMYCLLFPSUTM-IAGOWNOFSA-N 1 2 338.423 2.170 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1F ZINC000188779590 464367469 /nfs/dbraw/zinc/36/74/69/464367469.db2.gz QCMMYCLLFPSUTM-IAGOWNOFSA-N 1 2 338.423 2.170 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000249277247 464856485 /nfs/dbraw/zinc/85/64/85/464856485.db2.gz DQFFJHXMBJYUJW-ZWKOTPCHSA-N 1 2 342.439 2.013 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000249277247 464856489 /nfs/dbraw/zinc/85/64/89/464856489.db2.gz DQFFJHXMBJYUJW-ZWKOTPCHSA-N 1 2 342.439 2.013 20 10 EECDLO COc1ccc(N2CCCN(C(=O)CCc3c[nH+]cn3C)CC2)cc1 ZINC000192814068 534001522 /nfs/dbraw/zinc/00/15/22/534001522.db2.gz OBMFIKOPHWKNDQ-UHFFFAOYSA-N 1 2 342.443 2.100 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000729598140 576667576 /nfs/dbraw/zinc/66/75/76/576667576.db2.gz SHDMANJVVFTLAM-INIZCTEOSA-N 1 2 348.491 2.053 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC000729598140 576667578 /nfs/dbraw/zinc/66/75/78/576667578.db2.gz SHDMANJVVFTLAM-INIZCTEOSA-N 1 2 348.491 2.053 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)[C@@H]4CCCN4C3=O)CC2)cc1 ZINC000777634678 577483713 /nfs/dbraw/zinc/48/37/13/577483713.db2.gz VGEKFKRPLXHEQS-INIZCTEOSA-N 1 2 329.400 2.091 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)[C@H](C)N(C4CC4)C3=O)CC2)cc1 ZINC000761223069 577679665 /nfs/dbraw/zinc/67/96/65/577679665.db2.gz NRLUSEFYBXOVHI-ZDUSSCGKSA-N 1 2 343.427 2.479 20 10 EECDLO CCOc1nc(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)co1 ZINC000753816641 577794365 /nfs/dbraw/zinc/79/43/65/577794365.db2.gz PRUPJHJLQLJVFD-UHFFFAOYSA-N 1 2 345.399 2.481 20 10 EECDLO O=C1N=C(N2CCOCC2)S/C1=C\c1c[nH+]c2ccc(Cl)cn12 ZINC000737443725 578257965 /nfs/dbraw/zinc/25/79/65/578257965.db2.gz LMKORDXXLHVMIF-GHXNOFRVSA-N 1 2 348.815 2.290 20 10 EECDLO CN(C)c1cc(NCc2cc(F)c(N3CCOCC3)c(F)c2)[nH+]cn1 ZINC000894150886 681789155 /nfs/dbraw/zinc/78/91/55/681789155.db2.gz HXKUHFJBAYHBNL-UHFFFAOYSA-N 1 2 349.385 2.270 20 10 EECDLO CN(C)c1cc(NCc2cc(F)c(N3CCOCC3)c(F)c2)nc[nH+]1 ZINC000894150886 681789160 /nfs/dbraw/zinc/78/91/60/681789160.db2.gz HXKUHFJBAYHBNL-UHFFFAOYSA-N 1 2 349.385 2.270 20 10 EECDLO CC[N@@H+](CCC(=O)NC)Cc1cc(Br)cc(F)c1O ZINC000897708930 691752553 /nfs/dbraw/zinc/75/25/53/691752553.db2.gz FSKDHHUHRWDXSC-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO CC[N@H+](CCC(=O)NC)Cc1cc(Br)cc(F)c1O ZINC000897708930 691752551 /nfs/dbraw/zinc/75/25/51/691752551.db2.gz FSKDHHUHRWDXSC-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1O ZINC001273304564 1198004673 /nfs/dbraw/zinc/00/46/73/1198004673.db2.gz NXKFNUQACYTEOB-YJYMSZOUSA-N 1 2 348.418 2.466 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1O ZINC001273304564 1198004682 /nfs/dbraw/zinc/00/46/82/1198004682.db2.gz NXKFNUQACYTEOB-YJYMSZOUSA-N 1 2 348.418 2.466 20 10 EECDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2O)C1=O ZINC001273305081 1198007528 /nfs/dbraw/zinc/00/75/28/1198007528.db2.gz ZTWADHSEIJODFG-KZULUSFZSA-N 1 2 334.391 2.076 20 10 EECDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cccc(F)c2O)C1=O ZINC001273305081 1198007534 /nfs/dbraw/zinc/00/75/34/1198007534.db2.gz ZTWADHSEIJODFG-KZULUSFZSA-N 1 2 334.391 2.076 20 10 EECDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@H](C(F)F)C3)cc2)CC1 ZINC000877502552 1199950142 /nfs/dbraw/zinc/95/01/42/1199950142.db2.gz MDXSZHWMTIZJHO-INIZCTEOSA-N 1 2 326.387 2.114 20 10 EECDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@H](C(F)F)C3)cc2)CC1 ZINC000877502552 1199950145 /nfs/dbraw/zinc/95/01/45/1199950145.db2.gz MDXSZHWMTIZJHO-INIZCTEOSA-N 1 2 326.387 2.114 20 10 EECDLO COCCN1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000882989219 1201992265 /nfs/dbraw/zinc/99/22/65/1201992265.db2.gz GRKMYDCAVQFHMM-GFCCVEGCSA-N 1 2 347.228 2.104 20 10 EECDLO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1F ZINC000862326584 1295792233 /nfs/dbraw/zinc/79/22/33/1295792233.db2.gz QICXMMFBPDUQCB-CYBMUJFWSA-N 1 2 338.402 2.067 20 10 EECDLO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1F ZINC000862326584 1295792244 /nfs/dbraw/zinc/79/22/44/1295792244.db2.gz QICXMMFBPDUQCB-CYBMUJFWSA-N 1 2 338.402 2.067 20 10 EECDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862365634 1295808360 /nfs/dbraw/zinc/80/83/60/1295808360.db2.gz VJXWSIRVQADCIQ-HIFRSBDPSA-N 1 2 339.430 2.326 20 10 EECDLO Cn1cc2c(n1)CC[N@@H+](Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001232200093 1304034686 /nfs/dbraw/zinc/03/46/86/1304034686.db2.gz PPKNYYQSUZOTJD-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO Cn1cc2c(n1)CC[N@H+](Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001232200093 1304034690 /nfs/dbraw/zinc/03/46/90/1304034690.db2.gz PPKNYYQSUZOTJD-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO Oc1cc(C(F)(F)F)ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001233452054 1304470397 /nfs/dbraw/zinc/47/03/97/1304470397.db2.gz IUWPTYWWYPUUDW-CQSZACIVSA-N 1 2 330.350 2.318 20 10 EECDLO Oc1cc(O)c(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1O ZINC001233485203 1304477783 /nfs/dbraw/zinc/47/77/83/1304477783.db2.gz MVASHKQJPRPDLB-UHFFFAOYSA-N 1 2 344.411 2.000 20 10 EECDLO Oc1cc(C[NH+]2CC3(C2)CCCOC3)c(O)cc1Br ZINC001236763657 1305665255 /nfs/dbraw/zinc/66/52/55/1305665255.db2.gz BOEHUXNWYABKGR-UHFFFAOYSA-N 1 2 328.206 2.473 20 10 EECDLO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC23COC3)c(O)c1 ZINC001249738369 1317161066 /nfs/dbraw/zinc/16/10/66/1317161066.db2.gz QITOMMIOZFNOJP-UHFFFAOYSA-N 1 2 335.400 2.089 20 10 EECDLO CCOC(=O)CCCOc1ccc(C[N@H+]2CCC23COC3)c(O)c1 ZINC001249738369 1317161074 /nfs/dbraw/zinc/16/10/74/1317161074.db2.gz QITOMMIOZFNOJP-UHFFFAOYSA-N 1 2 335.400 2.089 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206228785 1323432119 /nfs/dbraw/zinc/43/21/19/1323432119.db2.gz BVVSRJNWGNNCBE-OAHLLOKOSA-N 1 2 342.317 2.273 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206228785 1323432124 /nfs/dbraw/zinc/43/21/24/1323432124.db2.gz BVVSRJNWGNNCBE-OAHLLOKOSA-N 1 2 342.317 2.273 20 10 EECDLO COc1ccc(N2CCC(Nc3nc[nH+]c(N)c3OC)CC2)cc1 ZINC000848661496 1338737279 /nfs/dbraw/zinc/73/72/79/1338737279.db2.gz INSUANRZNSMVNM-UHFFFAOYSA-N 1 2 329.404 2.157 20 10 EECDLO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)[C@H](O)c1ccccc1 ZINC001589950554 1349076135 /nfs/dbraw/zinc/07/61/35/1349076135.db2.gz UDDVBRKYDPMJBW-OZVIIMIRSA-N 1 2 339.399 2.345 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(-c2nn[nH]n2)c1O ZINC001589958277 1349078948 /nfs/dbraw/zinc/07/89/48/1349078948.db2.gz VKLRIMTVDVHXLB-QMTHXVAHSA-N 1 2 339.403 2.034 20 10 EECDLO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589959963 1349081284 /nfs/dbraw/zinc/08/12/84/1349081284.db2.gz YEKPEUQAEQFJAS-OCCSQVGLSA-N 1 2 345.447 2.412 20 10 EECDLO CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465689 1349341740 /nfs/dbraw/zinc/34/17/40/1349341740.db2.gz ICKSYQXIQXUFML-SWLSCSKDSA-N 1 2 331.420 2.430 20 10 EECDLO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001605907952 1351251179 /nfs/dbraw/zinc/25/11/79/1351251179.db2.gz RYNRIUVHOUCOLD-MLGOLLRUSA-N 1 2 339.399 2.265 20 10 EECDLO CO[C@@H]1C[N@H+](Cc2c(O)cccc2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001137841655 1372282347 /nfs/dbraw/zinc/28/23/47/1372282347.db2.gz OHLIVMVWARRLIK-DZGCQCFKSA-N 1 2 340.395 2.255 20 10 EECDLO CO[C@@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001137841655 1372282352 /nfs/dbraw/zinc/28/23/52/1372282352.db2.gz OHLIVMVWARRLIK-DZGCQCFKSA-N 1 2 340.395 2.255 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccncc3)C2)c(OC)c1 ZINC001141031219 1372744657 /nfs/dbraw/zinc/74/46/57/1372744657.db2.gz ZHEDBQFDAXFKPW-SFHVURJKSA-N 1 2 330.384 2.378 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccncc3)C2)c(OC)c1 ZINC001141031219 1372744660 /nfs/dbraw/zinc/74/46/60/1372744660.db2.gz ZHEDBQFDAXFKPW-SFHVURJKSA-N 1 2 330.384 2.378 20 10 EECDLO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000706830420 785778307 /nfs/dbraw/zinc/77/83/07/785778307.db2.gz WGCIOALJJWJFSB-NWDGAFQWSA-N 1 2 341.249 2.108 20 10 EECDLO CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc(Cl)c1O ZINC000806132729 811761455 /nfs/dbraw/zinc/76/14/55/811761455.db2.gz ZEHRLMHANOFJDM-CYBMUJFWSA-N 1 2 334.869 2.368 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC000372635415 533489145 /nfs/dbraw/zinc/48/91/45/533489145.db2.gz AAAOTXHHODXKCH-MNOVXSKESA-N 1 2 334.185 2.068 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC000372635415 533489146 /nfs/dbraw/zinc/48/91/46/533489146.db2.gz AAAOTXHHODXKCH-MNOVXSKESA-N 1 2 334.185 2.068 20 10 EECDLO Cc1cnc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000185013672 463735659 /nfs/dbraw/zinc/73/56/59/463735659.db2.gz MGJXZYRPBRZFPT-ZDUSSCGKSA-N 1 2 332.473 2.485 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000375710374 466868098 /nfs/dbraw/zinc/86/80/98/466868098.db2.gz HIHPWLRDQSSOIF-CQSZACIVSA-N 1 2 334.328 2.476 20 10 EECDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000375710374 466868100 /nfs/dbraw/zinc/86/81/00/466868100.db2.gz HIHPWLRDQSSOIF-CQSZACIVSA-N 1 2 334.328 2.476 20 10 EECDLO CCc1c(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)cnn1C ZINC000726561695 576274086 /nfs/dbraw/zinc/27/40/86/576274086.db2.gz LVKVCFHQLFOEJU-UHFFFAOYSA-N 1 2 342.443 2.390 20 10 EECDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(N(C)C)cc1 ZINC000773312427 577332101 /nfs/dbraw/zinc/33/21/01/577332101.db2.gz CJWXVJRZYYJYAR-OAHLLOKOSA-N 1 2 348.491 2.224 20 10 EECDLO C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(N(C)C)cc1 ZINC000773312427 577332103 /nfs/dbraw/zinc/33/21/03/577332103.db2.gz CJWXVJRZYYJYAR-OAHLLOKOSA-N 1 2 348.491 2.224 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)(C)C ZINC000775068016 577428614 /nfs/dbraw/zinc/42/86/14/577428614.db2.gz GIADBTXFSDQJAK-CQSZACIVSA-N 1 2 340.376 2.376 20 10 EECDLO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756481558 577844856 /nfs/dbraw/zinc/84/48/56/577844856.db2.gz BTVDAGFNWQJMKY-SECBINFHSA-N 1 2 336.404 2.039 20 10 EECDLO COC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756779237 577850131 /nfs/dbraw/zinc/85/01/31/577850131.db2.gz RRKAHAQWBCWXBG-DTWKUNHWSA-N 1 2 336.201 2.342 20 10 EECDLO CC[C@H](CO)Nc1cc(NCc2ccc(N(C)C)c(F)c2)[nH+]cn1 ZINC000892132172 676905358 /nfs/dbraw/zinc/90/53/58/676905358.db2.gz ZWTJYWYVKHEGJY-CYBMUJFWSA-N 1 2 333.411 2.477 20 10 EECDLO CC[C@H](CO)Nc1cc(NCc2ccc(N(C)C)c(F)c2)nc[nH+]1 ZINC000892132172 676905359 /nfs/dbraw/zinc/90/53/59/676905359.db2.gz ZWTJYWYVKHEGJY-CYBMUJFWSA-N 1 2 333.411 2.477 20 10 EECDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C1(CO)CCOCC1 ZINC000895356812 684539332 /nfs/dbraw/zinc/53/93/32/684539332.db2.gz DFBDQUCQFWITMV-UHFFFAOYSA-N 1 2 348.212 2.267 20 10 EECDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C1(CO)CCOCC1 ZINC000895356812 684539335 /nfs/dbraw/zinc/53/93/35/684539335.db2.gz DFBDQUCQFWITMV-UHFFFAOYSA-N 1 2 348.212 2.267 20 10 EECDLO [NH3+]CC(F)(F)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000841970594 689144802 /nfs/dbraw/zinc/14/48/02/689144802.db2.gz BSDQUDYMUGNWAM-UHFFFAOYSA-N 1 2 328.146 2.092 20 10 EECDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2O)C1=O ZINC001273305085 1198007180 /nfs/dbraw/zinc/00/71/80/1198007180.db2.gz ZTWADHSEIJODFG-XIKOKIGWSA-N 1 2 334.391 2.076 20 10 EECDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2O)C1=O ZINC001273305085 1198007185 /nfs/dbraw/zinc/00/71/85/1198007185.db2.gz ZTWADHSEIJODFG-XIKOKIGWSA-N 1 2 334.391 2.076 20 10 EECDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825955724 1199901395 /nfs/dbraw/zinc/90/13/95/1199901395.db2.gz PTZVIHIILAXKQI-CYBMUJFWSA-N 1 2 330.222 2.392 20 10 EECDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(Br)cc1O ZINC000825955724 1199901396 /nfs/dbraw/zinc/90/13/96/1199901396.db2.gz PTZVIHIILAXKQI-CYBMUJFWSA-N 1 2 330.222 2.392 20 10 EECDLO CN(C)c1ccc(-c2nc(C(=O)N3CC4(CC[N@@H+]4C)C3)cs2)cc1 ZINC001274331805 1204999359 /nfs/dbraw/zinc/99/93/59/1204999359.db2.gz LYHRAIXGPOLLLH-UHFFFAOYSA-N 1 2 342.468 2.406 20 10 EECDLO CN(C)c1ccc(-c2nc(C(=O)N3CC4(CC[N@H+]4C)C3)cs2)cc1 ZINC001274331805 1204999362 /nfs/dbraw/zinc/99/93/62/1204999362.db2.gz LYHRAIXGPOLLLH-UHFFFAOYSA-N 1 2 342.468 2.406 20 10 EECDLO COc1ccc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC000082320414 1211344645 /nfs/dbraw/zinc/34/46/45/1211344645.db2.gz YXHPMMQHMPFSMD-UHFFFAOYSA-N 1 2 336.395 2.305 20 10 EECDLO COC(=O)c1cnoc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795977090 1215233668 /nfs/dbraw/zinc/23/36/68/1215233668.db2.gz XGHSSDBJDLFONV-CYBMUJFWSA-N 1 2 345.399 2.149 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1F ZINC000800535316 1234276192 /nfs/dbraw/zinc/27/61/92/1234276192.db2.gz YXEJFTXWKUYDFU-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1F ZINC000800535316 1234276195 /nfs/dbraw/zinc/27/61/95/1234276195.db2.gz YXEJFTXWKUYDFU-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO CC(C)[NH2+]CC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218919943 1297864656 /nfs/dbraw/zinc/86/46/56/1297864656.db2.gz BIFWCXTXBICYAF-UHFFFAOYSA-N 1 2 338.363 2.104 20 10 EECDLO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079351 1304353568 /nfs/dbraw/zinc/35/35/68/1304353568.db2.gz AKQMQQMKWWQGAN-LBPRGKRZSA-N 1 2 327.375 2.342 20 10 EECDLO CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079351 1304353574 /nfs/dbraw/zinc/35/35/74/1304353574.db2.gz AKQMQQMKWWQGAN-LBPRGKRZSA-N 1 2 327.375 2.342 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c1O ZINC001233290774 1304418758 /nfs/dbraw/zinc/41/87/58/1304418758.db2.gz VNBDNCGPNVNFNO-AWEZNQCLSA-N 1 2 337.807 2.018 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)c1O ZINC001233290774 1304418760 /nfs/dbraw/zinc/41/87/60/1304418760.db2.gz VNBDNCGPNVNFNO-AWEZNQCLSA-N 1 2 337.807 2.018 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)cc1OC ZINC001236751737 1305658449 /nfs/dbraw/zinc/65/84/49/1305658449.db2.gz ILKQFGRWVRTFLJ-GOSISDBHSA-N 1 2 330.384 2.378 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccn3)C2)cc1OC ZINC001236751737 1305658461 /nfs/dbraw/zinc/65/84/61/1305658461.db2.gz ILKQFGRWVRTFLJ-GOSISDBHSA-N 1 2 330.384 2.378 20 10 EECDLO CCOc1ccc(C[N@H+]2Cc3nnn(CC)c3[C@@H](COC)C2)c(O)c1 ZINC001237042920 1305777275 /nfs/dbraw/zinc/77/72/75/1305777275.db2.gz MLDJXVHTWVJDDT-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO CCOc1ccc(C[N@@H+]2Cc3nnn(CC)c3[C@@H](COC)C2)c(O)c1 ZINC001237042920 1305777281 /nfs/dbraw/zinc/77/72/81/1305777281.db2.gz MLDJXVHTWVJDDT-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)c(Br)c1 ZINC001237072809 1305788583 /nfs/dbraw/zinc/78/85/83/1305788583.db2.gz KGKLUOLPIGDFIE-GFCCVEGCSA-N 1 2 343.221 2.003 20 10 EECDLO CCn1cncc1C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001237595413 1305995805 /nfs/dbraw/zinc/99/58/05/1305995805.db2.gz MEZYRAUMNBWXHG-UHFFFAOYSA-N 1 2 344.459 2.250 20 10 EECDLO COc1cc(O)c(C[NH+]2CC=CC2)cc1I ZINC001248462109 1310907852 /nfs/dbraw/zinc/90/78/52/1310907852.db2.gz NNYGIYZWOIAPTQ-UHFFFAOYSA-N 1 2 331.153 2.377 20 10 EECDLO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159958 1315051032 /nfs/dbraw/zinc/05/10/32/1315051032.db2.gz NGXVZELFNCZUSZ-UHFFFAOYSA-N 1 2 330.359 2.195 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c(OC)c1 ZINC001203881345 1321981975 /nfs/dbraw/zinc/98/19/75/1321981975.db2.gz PFNIKVSZKHZLBK-UHFFFAOYSA-N 1 2 344.411 2.437 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203940562 1321995149 /nfs/dbraw/zinc/99/51/49/1321995149.db2.gz PPTFISZIDKTYAO-QGZVFWFLSA-N 1 2 332.444 2.487 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203940562 1321995152 /nfs/dbraw/zinc/99/51/52/1321995152.db2.gz PPTFISZIDKTYAO-QGZVFWFLSA-N 1 2 332.444 2.487 20 10 EECDLO O=c1cccc(C[N@H+]2CCC3(CN(Cc4cccc(F)c4O)C3)C2)[nH]1 ZINC001276537732 1324000446 /nfs/dbraw/zinc/00/04/46/1324000446.db2.gz MSJJRHHFSWIZNY-UHFFFAOYSA-N 1 2 343.402 2.340 20 10 EECDLO O=c1cccc(C[N@@H+]2CCC3(CN(Cc4cccc(F)c4O)C3)C2)[nH]1 ZINC001276537732 1324000454 /nfs/dbraw/zinc/00/04/54/1324000454.db2.gz MSJJRHHFSWIZNY-UHFFFAOYSA-N 1 2 343.402 2.340 20 10 EECDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cc(F)c(F)cc2O)no1 ZINC001308797965 1331605360 /nfs/dbraw/zinc/60/53/60/1331605360.db2.gz MRFSKBAXNFYNBV-UHFFFAOYSA-N 1 2 326.299 2.470 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319913612 1332796176 /nfs/dbraw/zinc/79/61/76/1332796176.db2.gz RLKDSHWIHOHDDP-ROUUACIJSA-N 1 2 332.444 2.439 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319913612 1332796178 /nfs/dbraw/zinc/79/61/78/1332796178.db2.gz RLKDSHWIHOHDDP-ROUUACIJSA-N 1 2 332.444 2.439 20 10 EECDLO C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852280 1334727320 /nfs/dbraw/zinc/72/73/20/1334727320.db2.gz YLJSKHCLALJORW-LPHOPBHVSA-N 1 2 348.510 2.350 20 10 EECDLO C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852280 1334727323 /nfs/dbraw/zinc/72/73/23/1334727323.db2.gz YLJSKHCLALJORW-LPHOPBHVSA-N 1 2 348.510 2.350 20 10 EECDLO CC[C@@H]([NH2+]CC1(C)CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463907 1349340697 /nfs/dbraw/zinc/34/06/97/1349340697.db2.gz MNDQXWMGGKARHB-CQSZACIVSA-N 1 2 331.420 2.430 20 10 EECDLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604612535 1350970182 /nfs/dbraw/zinc/97/01/82/1350970182.db2.gz IZGJQHHELHCEJO-WDEREUQCSA-N 1 2 327.392 2.201 20 10 EECDLO CCOC(=O)CN1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140921692 1372710348 /nfs/dbraw/zinc/71/03/48/1372710348.db2.gz NFEYUNZRKAUFAG-UHFFFAOYSA-N 1 2 339.867 2.087 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)cc(F)c1O ZINC000840826354 783020390 /nfs/dbraw/zinc/02/03/90/783020390.db2.gz UXVJWPOPRAFTSE-BDAKNGLRSA-N 1 2 345.212 2.471 20 10 EECDLO C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984270 785134878 /nfs/dbraw/zinc/13/48/78/785134878.db2.gz XCPPESYZQZXEFE-WCBMZHEXSA-N 1 2 349.656 2.447 20 10 EECDLO C[S@](=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715828232 795537900 /nfs/dbraw/zinc/53/79/00/795537900.db2.gz NWJBHGAGCCWOTJ-SFHVURJKSA-N 1 2 336.226 2.295 20 10 EECDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000133050374 462896905 /nfs/dbraw/zinc/89/69/05/462896905.db2.gz AODWNVGKMKCOBQ-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000133050374 462896908 /nfs/dbraw/zinc/89/69/08/462896908.db2.gz AODWNVGKMKCOBQ-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000095468163 463090571 /nfs/dbraw/zinc/09/05/71/463090571.db2.gz UYQBSDCFVOWSLB-VMPITWQZSA-N 1 2 339.395 2.423 20 10 EECDLO Cn1cc[nH+]c1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264104571 464283239 /nfs/dbraw/zinc/28/32/39/464283239.db2.gz FYVUVRRQODIADT-OAHLLOKOSA-N 1 2 344.415 2.017 20 10 EECDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccccc1O ZINC000361069741 465744373 /nfs/dbraw/zinc/74/43/73/465744373.db2.gz TURIAPUXNNXHPM-SFHVURJKSA-N 1 2 336.395 2.021 20 10 EECDLO COC(=O)CN(Cc1cc[nH+]c(N)c1)Cc1cc(Cl)ccc1O ZINC000298022482 523169453 /nfs/dbraw/zinc/16/94/53/523169453.db2.gz ASNRFPYPVQQCLI-UHFFFAOYSA-N 1 2 335.791 2.198 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)[C@@H](C)n3cccn3)CC2)cc1 ZINC000726563011 576277420 /nfs/dbraw/zinc/27/74/20/576277420.db2.gz ATYZNZIRIDXYKG-CQSZACIVSA-N 1 2 328.416 2.238 20 10 EECDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768466733 577556490 /nfs/dbraw/zinc/55/64/90/577556490.db2.gz VRVGRRFTSOPMHQ-AEFFLSMTSA-N 1 2 327.380 2.392 20 10 EECDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768466733 577556491 /nfs/dbraw/zinc/55/64/91/577556491.db2.gz VRVGRRFTSOPMHQ-AEFFLSMTSA-N 1 2 327.380 2.392 20 10 EECDLO COc1cc(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768466672 577556513 /nfs/dbraw/zinc/55/65/13/577556513.db2.gz UIHVOVMCRITIQV-MRXNPFEDSA-N 1 2 337.416 2.252 20 10 EECDLO COc1cc(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768466672 577556514 /nfs/dbraw/zinc/55/65/14/577556514.db2.gz UIHVOVMCRITIQV-MRXNPFEDSA-N 1 2 337.416 2.252 20 10 EECDLO COC(=O)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000768523286 577557691 /nfs/dbraw/zinc/55/76/91/577557691.db2.gz FKMYOZYMYZSYJX-MRXNPFEDSA-N 1 2 338.423 2.340 20 10 EECDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000768533547 577557992 /nfs/dbraw/zinc/55/79/92/577557992.db2.gz UGGUAYWWFDEREQ-UHFFFAOYSA-N 1 2 344.839 2.365 20 10 EECDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000768533547 577557993 /nfs/dbraw/zinc/55/79/93/577557993.db2.gz UGGUAYWWFDEREQ-UHFFFAOYSA-N 1 2 344.839 2.365 20 10 EECDLO CNC(=O)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756483377 577844922 /nfs/dbraw/zinc/84/49/22/577844922.db2.gz MXZVWPLFTAJVNQ-MRVPVSSYSA-N 1 2 333.201 2.471 20 10 EECDLO COc1ccc([N@H+](CCN2C(=O)NC(C)(C)C2=O)CC(C)C)cc1 ZINC000746170459 577923521 /nfs/dbraw/zinc/92/35/21/577923521.db2.gz UIQAYZSYWCBVHS-UHFFFAOYSA-N 1 2 333.432 2.488 20 10 EECDLO COc1ccc([N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC(C)C)cc1 ZINC000746170459 577923522 /nfs/dbraw/zinc/92/35/22/577923522.db2.gz UIQAYZSYWCBVHS-UHFFFAOYSA-N 1 2 333.432 2.488 20 10 EECDLO CC(=O)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048797057 678381713 /nfs/dbraw/zinc/38/17/13/678381713.db2.gz JLRMAGNIPOPHNG-UHFFFAOYSA-N 1 2 327.222 2.255 20 10 EECDLO CN(C)c1ccc(CN2C[C@@]3(F)C[N@H+](CC4CC4)C[C@@]3(F)C2=O)cc1 ZINC001272490075 1190848902 /nfs/dbraw/zinc/84/89/02/1190848902.db2.gz JZPRWYCGOOHXBQ-RBUKOAKNSA-N 1 2 349.425 2.237 20 10 EECDLO CN(C)c1ccc(CN2C[C@@]3(F)C[N@@H+](CC4CC4)C[C@@]3(F)C2=O)cc1 ZINC001272490075 1190848904 /nfs/dbraw/zinc/84/89/04/1190848904.db2.gz JZPRWYCGOOHXBQ-RBUKOAKNSA-N 1 2 349.425 2.237 20 10 EECDLO COc1ccc(N2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001274791065 1205163417 /nfs/dbraw/zinc/16/34/17/1205163417.db2.gz PKQBDMGQRAWUTH-LJQANCHMSA-N 1 2 340.427 2.163 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1NC(=O)C(F)(F)F ZINC000827849659 1248825904 /nfs/dbraw/zinc/82/59/04/1248825904.db2.gz HDXHNMUCDPELBB-SKDRFNHKSA-N 1 2 334.313 2.420 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1NC(=O)C(F)(F)F ZINC000827849659 1248825912 /nfs/dbraw/zinc/82/59/12/1248825912.db2.gz HDXHNMUCDPELBB-SKDRFNHKSA-N 1 2 334.313 2.420 20 10 EECDLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061120 1230272808 /nfs/dbraw/zinc/27/28/08/1230272808.db2.gz PKFZCYIYIPPMLR-TZMCWYRMSA-N 1 2 335.383 2.401 20 10 EECDLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061120 1230272812 /nfs/dbraw/zinc/27/28/12/1230272812.db2.gz PKFZCYIYIPPMLR-TZMCWYRMSA-N 1 2 335.383 2.401 20 10 EECDLO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1O ZINC000827157794 1250276399 /nfs/dbraw/zinc/27/63/99/1250276399.db2.gz HLHXHUQZROTVQM-UHFFFAOYSA-N 1 2 348.274 2.151 20 10 EECDLO COc1ccc(C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2)c(O)c1 ZINC001203628725 1278823247 /nfs/dbraw/zinc/82/32/47/1278823247.db2.gz GMLSJEPGFIUDAL-UHFFFAOYSA-N 1 2 326.396 2.245 20 10 EECDLO COc1ccc(C[N@H+]2CCN(Cc3ccccc3)C(=O)C2)c(O)c1 ZINC001203628725 1278823256 /nfs/dbraw/zinc/82/32/56/1278823256.db2.gz GMLSJEPGFIUDAL-UHFFFAOYSA-N 1 2 326.396 2.245 20 10 EECDLO CC(C)C(=O)NCC[N@H+](C)Cc1c(O)cccc1Br ZINC000862252293 1295772725 /nfs/dbraw/zinc/77/27/25/1295772725.db2.gz DVOJYZWPNIRTRZ-UHFFFAOYSA-N 1 2 329.238 2.359 20 10 EECDLO CC(C)C(=O)NCC[N@@H+](C)Cc1c(O)cccc1Br ZINC000862252293 1295772732 /nfs/dbraw/zinc/77/27/32/1295772732.db2.gz DVOJYZWPNIRTRZ-UHFFFAOYSA-N 1 2 329.238 2.359 20 10 EECDLO COc1cc(N(C)C)ccc1CN1CC([NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001231857194 1303931943 /nfs/dbraw/zinc/93/19/43/1303931943.db2.gz YNSMNIKFRRMWIV-HUUCEWRRSA-N 1 2 333.476 2.055 20 10 EECDLO COc1cc(N(C)C)ccc1C[NH+]1CC(N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001231857194 1303931946 /nfs/dbraw/zinc/93/19/46/1303931946.db2.gz YNSMNIKFRRMWIV-HUUCEWRRSA-N 1 2 333.476 2.055 20 10 EECDLO COc1cc(C)c(C[N@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001236811435 1305686066 /nfs/dbraw/zinc/68/60/66/1305686066.db2.gz OIRJWXPNNDYRDO-CALCHBBNSA-N 1 2 332.444 2.004 20 10 EECDLO COc1cc(C)c(C[N@@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001236811435 1305686068 /nfs/dbraw/zinc/68/60/68/1305686068.db2.gz OIRJWXPNNDYRDO-CALCHBBNSA-N 1 2 332.444 2.004 20 10 EECDLO Oc1c(I)cccc1C[NH+]1CC2(C1)CCOC2 ZINC001237786301 1306092044 /nfs/dbraw/zinc/09/20/44/1306092044.db2.gz NWVFZMAWNFHGLE-UHFFFAOYSA-N 1 2 345.180 2.219 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCc2nccn2CC1 ZINC001139132026 1314708763 /nfs/dbraw/zinc/70/87/63/1314708763.db2.gz SJGVOHIYSUQUAJ-UHFFFAOYSA-N 1 2 325.368 2.062 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCc2nccn2CC1 ZINC001139132026 1314708766 /nfs/dbraw/zinc/70/87/66/1314708766.db2.gz SJGVOHIYSUQUAJ-UHFFFAOYSA-N 1 2 325.368 2.062 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1ccccc1O ZINC001203551556 1321910496 /nfs/dbraw/zinc/91/04/96/1321910496.db2.gz ICWZCCYUMXHOBC-MRXNPFEDSA-N 1 2 328.416 2.140 20 10 EECDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1ccccc1O ZINC001203551556 1321910498 /nfs/dbraw/zinc/91/04/98/1321910498.db2.gz ICWZCCYUMXHOBC-MRXNPFEDSA-N 1 2 328.416 2.140 20 10 EECDLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203658379 1321934307 /nfs/dbraw/zinc/93/43/07/1321934307.db2.gz LDXGEHVJYZJFJU-KRWDZBQOSA-N 1 2 338.835 2.259 20 10 EECDLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203658379 1321934309 /nfs/dbraw/zinc/93/43/09/1321934309.db2.gz LDXGEHVJYZJFJU-KRWDZBQOSA-N 1 2 338.835 2.259 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COC)C2)cc1 ZINC001203940608 1321995175 /nfs/dbraw/zinc/99/51/75/1321995175.db2.gz QXZPRUJCIGQMNH-MRXNPFEDSA-N 1 2 343.475 2.407 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COC)C2)cc1 ZINC001203940608 1321995177 /nfs/dbraw/zinc/99/51/77/1321995177.db2.gz QXZPRUJCIGQMNH-MRXNPFEDSA-N 1 2 343.475 2.407 20 10 EECDLO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589951891 1349076549 /nfs/dbraw/zinc/07/65/49/1349076549.db2.gz HPXBEFLDFZTFSS-RBOXIYTFSA-N 1 2 343.431 2.428 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(-c2nn[nH]n2)c1O ZINC001589954677 1349077921 /nfs/dbraw/zinc/07/79/21/1349077921.db2.gz IKJSRLSNYOYMMT-QMGNLALYSA-N 1 2 329.404 2.181 20 10 EECDLO CC[C@H]([NH2+]CC(C)(C)CCCO)c1cccc(-c2nn[nH]n2)c1O ZINC001590465134 1349340036 /nfs/dbraw/zinc/34/00/36/1349340036.db2.gz SQKWMIZHGJEDCC-AWEZNQCLSA-N 1 2 333.436 2.412 20 10 EECDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862372989 1369532683 /nfs/dbraw/zinc/53/26/83/1369532683.db2.gz CISKDOLBUWHBLT-JTQLQIEISA-N 1 2 348.262 2.021 20 10 EECDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862372989 1369532687 /nfs/dbraw/zinc/53/26/87/1369532687.db2.gz CISKDOLBUWHBLT-JTQLQIEISA-N 1 2 348.262 2.021 20 10 EECDLO CS(=O)(=O)CCCC[NH2+]Cc1cccc(Br)c1O ZINC000692827894 770052586 /nfs/dbraw/zinc/05/25/86/770052586.db2.gz SVFBVXGWWHHZIS-UHFFFAOYSA-N 1 2 336.251 2.069 20 10 EECDLO CC[NH+](CC)CCN1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685827 777578091 /nfs/dbraw/zinc/57/80/91/777578091.db2.gz YEZVORYRLRKARC-UHFFFAOYSA-N 1 2 327.419 2.130 20 10 EECDLO COc1c(O)c(C[N@H+](CCN(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000809729604 783313052 /nfs/dbraw/zinc/31/30/52/783313052.db2.gz LECDJKZWSUJDEZ-UHFFFAOYSA-N 1 2 325.409 2.329 20 10 EECDLO COc1c(O)c(C[N@@H+](CCN(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000809729604 783313060 /nfs/dbraw/zinc/31/30/60/783313060.db2.gz LECDJKZWSUJDEZ-UHFFFAOYSA-N 1 2 325.409 2.329 20 10 EECDLO COc1c(O)c(CN(CC[NH+](C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000809729604 783313068 /nfs/dbraw/zinc/31/30/68/783313068.db2.gz LECDJKZWSUJDEZ-UHFFFAOYSA-N 1 2 325.409 2.329 20 10 EECDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809764833 783369495 /nfs/dbraw/zinc/36/94/95/783369495.db2.gz KWZUZROCFCLOPU-LLVKDONJSA-N 1 2 329.366 2.482 20 10 EECDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809764833 783369507 /nfs/dbraw/zinc/36/95/07/783369507.db2.gz KWZUZROCFCLOPU-LLVKDONJSA-N 1 2 329.366 2.482 20 10 EECDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000824779640 788298281 /nfs/dbraw/zinc/29/82/81/788298281.db2.gz XXDJIJFJCDDVEC-QGZVFWFLSA-N 1 2 342.443 2.226 20 10 EECDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000179708849 464176319 /nfs/dbraw/zinc/17/63/19/464176319.db2.gz NERGRXBAWMSNSD-IBGZPJMESA-N 1 2 331.460 2.014 20 10 EECDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000179708849 464176323 /nfs/dbraw/zinc/17/63/23/464176323.db2.gz NERGRXBAWMSNSD-IBGZPJMESA-N 1 2 331.460 2.014 20 10 EECDLO O=C(CCSc1nccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000299029249 465568889 /nfs/dbraw/zinc/56/88/89/465568889.db2.gz JEJGKKBTUUPLSJ-UHFFFAOYSA-N 1 2 334.470 2.369 20 10 EECDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000367733042 466523419 /nfs/dbraw/zinc/52/34/19/466523419.db2.gz ZIDAZMJAFPWJPG-LJQANCHMSA-N 1 2 345.487 2.260 20 10 EECDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000367733042 466523428 /nfs/dbraw/zinc/52/34/28/466523428.db2.gz ZIDAZMJAFPWJPG-LJQANCHMSA-N 1 2 345.487 2.260 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377695784 467119017 /nfs/dbraw/zinc/11/90/17/467119017.db2.gz MTTKNUTXPKSKGS-KGLIPLIRSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377695784 467119019 /nfs/dbraw/zinc/11/90/19/467119019.db2.gz MTTKNUTXPKSKGS-KGLIPLIRSA-N 1 2 327.808 2.434 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)cc1F ZINC000084963937 534016490 /nfs/dbraw/zinc/01/64/90/534016490.db2.gz FYSZSRPZSDWDCM-HNNXBMFYSA-N 1 2 349.450 2.357 20 10 EECDLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866061 529369058 /nfs/dbraw/zinc/36/90/58/529369058.db2.gz GZOPELWIIPVFHG-KGLIPLIRSA-N 1 2 337.439 2.260 20 10 EECDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1=CC(=O)CS1 ZINC000731865726 577128652 /nfs/dbraw/zinc/12/86/52/577128652.db2.gz FAMVFFDJOXRLNA-OAHLLOKOSA-N 1 2 332.425 2.085 20 10 EECDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1=CC(=O)CS1 ZINC000731865726 577128655 /nfs/dbraw/zinc/12/86/55/577128655.db2.gz FAMVFFDJOXRLNA-OAHLLOKOSA-N 1 2 332.425 2.085 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)NC4(CCC4)C3=O)CC2)cc1 ZINC000761224210 577679642 /nfs/dbraw/zinc/67/96/42/577679642.db2.gz VHFZNJSTXNXDEV-UHFFFAOYSA-N 1 2 329.400 2.139 20 10 EECDLO OCC[C@H]([NH2+]Cc1cccc(Br)c1O)C1CCOCC1 ZINC000763466782 577721576 /nfs/dbraw/zinc/72/15/76/577721576.db2.gz MUMUVEGGMHOUMZ-AWEZNQCLSA-N 1 2 344.249 2.422 20 10 EECDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000754667636 577810521 /nfs/dbraw/zinc/81/05/21/577810521.db2.gz DNAMDGDGOFQWSM-SFHVURJKSA-N 1 2 339.439 2.487 20 10 EECDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000754667636 577810522 /nfs/dbraw/zinc/81/05/22/577810522.db2.gz DNAMDGDGOFQWSM-SFHVURJKSA-N 1 2 339.439 2.487 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCCOC[C@@H]3C)CC2)cc1 ZINC000746333119 577926244 /nfs/dbraw/zinc/92/62/44/577926244.db2.gz OOMGQQRYEBQQJG-HNNXBMFYSA-N 1 2 347.459 2.484 20 10 EECDLO COc1ccc(N2CC[NH+](CN3C(=O)C(C)(C)C3(C)C)CC2)cc1 ZINC000177678957 681443874 /nfs/dbraw/zinc/44/38/74/681443874.db2.gz ITFHBMGGSXBWEC-UHFFFAOYSA-N 1 2 331.460 2.422 20 10 EECDLO COc1cccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)c1O ZINC000177783435 681516425 /nfs/dbraw/zinc/51/64/25/681516425.db2.gz OKEKPFDDEWJFDM-UHFFFAOYSA-N 1 2 326.356 2.048 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903275 1193597870 /nfs/dbraw/zinc/59/78/70/1193597870.db2.gz PPHNSVMDQPXFBE-BFUOFWGJSA-N 1 2 346.427 2.032 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272903275 1193597872 /nfs/dbraw/zinc/59/78/72/1193597872.db2.gz PPHNSVMDQPXFBE-BFUOFWGJSA-N 1 2 346.427 2.032 20 10 EECDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000875507834 1199276143 /nfs/dbraw/zinc/27/61/43/1199276143.db2.gz LJVLTUIHSZWUBC-NVXWUHKLSA-N 1 2 348.491 2.224 20 10 EECDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000875507834 1199276149 /nfs/dbraw/zinc/27/61/49/1199276149.db2.gz LJVLTUIHSZWUBC-NVXWUHKLSA-N 1 2 348.491 2.224 20 10 EECDLO CCn1nncc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883185497 1202028092 /nfs/dbraw/zinc/02/80/92/1202028092.db2.gz XZTLGXCCVMAOSU-UHFFFAOYSA-N 1 2 329.173 2.195 20 10 EECDLO COc1ccc([N@@H+]2CCC[C@@]3(CCN(C4COC4)C3=O)CC2)cc1 ZINC001274791005 1205163356 /nfs/dbraw/zinc/16/33/56/1205163356.db2.gz NDOZMTDTQCSHCZ-IBGZPJMESA-N 1 2 330.428 2.303 20 10 EECDLO COc1ccc([N@H+]2CCC[C@@]3(CCN(C4COC4)C3=O)CC2)cc1 ZINC001274791005 1205163358 /nfs/dbraw/zinc/16/33/58/1205163358.db2.gz NDOZMTDTQCSHCZ-IBGZPJMESA-N 1 2 330.428 2.303 20 10 EECDLO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001275419553 1205350481 /nfs/dbraw/zinc/35/04/81/1205350481.db2.gz NNYBHJKNGZDFBZ-SOLBZPMBSA-N 1 2 340.423 2.405 20 10 EECDLO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001275419553 1205350484 /nfs/dbraw/zinc/35/04/84/1205350484.db2.gz NNYBHJKNGZDFBZ-SOLBZPMBSA-N 1 2 340.423 2.405 20 10 EECDLO CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001051263661 1245452678 /nfs/dbraw/zinc/45/26/78/1245452678.db2.gz GZBFBYYVZRAHNW-OAHLLOKOSA-N 1 2 347.419 2.080 20 10 EECDLO CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001051263661 1245452681 /nfs/dbraw/zinc/45/26/81/1245452681.db2.gz GZBFBYYVZRAHNW-OAHLLOKOSA-N 1 2 347.419 2.080 20 10 EECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[S@](=O)C1 ZINC000862347118 1295802011 /nfs/dbraw/zinc/80/20/11/1295802011.db2.gz NILZSVSHDHAPSY-MGNBDDOMSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[S@](=O)C1 ZINC000862347118 1295802016 /nfs/dbraw/zinc/80/20/16/1295802016.db2.gz NILZSVSHDHAPSY-MGNBDDOMSA-N 1 2 332.263 2.355 20 10 EECDLO Cc1ccc(C)n1-c1ccc(C[NH+]2CC3(C2)CC[C@@H](C(N)=O)O3)cc1 ZINC001277207320 1301820316 /nfs/dbraw/zinc/82/03/16/1301820316.db2.gz RUMAYCASMRLHBJ-SFHVURJKSA-N 1 2 339.439 2.313 20 10 EECDLO CN(C)C(=O)c1ccc2c(n1)CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001277489406 1303644775 /nfs/dbraw/zinc/64/47/75/1303644775.db2.gz QVXWTIRXWDLHJI-UHFFFAOYSA-N 1 2 329.375 2.186 20 10 EECDLO CN(C)C(=O)c1ccc2c(n1)CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001277489406 1303644784 /nfs/dbraw/zinc/64/47/84/1303644784.db2.gz QVXWTIRXWDLHJI-UHFFFAOYSA-N 1 2 329.375 2.186 20 10 EECDLO CCn1cc2c(n1)C[N@@H+](Cc1cc(OC)c(O)cc1O)C[C@H]2COC ZINC001231632732 1303871087 /nfs/dbraw/zinc/87/10/87/1303871087.db2.gz BOZIAHHBPOIYHK-ZDUSSCGKSA-N 1 2 347.415 2.069 20 10 EECDLO CCn1cc2c(n1)C[N@H+](Cc1cc(OC)c(O)cc1O)C[C@H]2COC ZINC001231632732 1303871093 /nfs/dbraw/zinc/87/10/93/1303871093.db2.gz BOZIAHHBPOIYHK-ZDUSSCGKSA-N 1 2 347.415 2.069 20 10 EECDLO COC(=O)c1c(CN2CCc3c([nH+]cn3C)C2)c2ccccc2n1C ZINC001232404880 1304108784 /nfs/dbraw/zinc/10/87/84/1304108784.db2.gz BFULJLCNKFONSN-UHFFFAOYSA-N 1 2 338.411 2.257 20 10 EECDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001237117546 1305799148 /nfs/dbraw/zinc/79/91/48/1305799148.db2.gz QOEXLCAHKORIKO-CQSZACIVSA-N 1 2 333.306 2.282 20 10 EECDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001237117546 1305799155 /nfs/dbraw/zinc/79/91/55/1305799155.db2.gz QOEXLCAHKORIKO-CQSZACIVSA-N 1 2 333.306 2.282 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cncnc3C)CC2)c(OC)c1 ZINC001238171596 1306268720 /nfs/dbraw/zinc/26/87/20/1306268720.db2.gz AJVVLRRHAFYCOU-UHFFFAOYSA-N 1 2 328.416 2.124 20 10 EECDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001139672817 1314756769 /nfs/dbraw/zinc/75/67/69/1314756769.db2.gz HGQHQWCYUFACHH-OSYLJGHBSA-N 1 2 332.444 2.213 20 10 EECDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001139672817 1314756772 /nfs/dbraw/zinc/75/67/72/1314756772.db2.gz HGQHQWCYUFACHH-OSYLJGHBSA-N 1 2 332.444 2.213 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140345281 1314874892 /nfs/dbraw/zinc/87/48/92/1314874892.db2.gz QZHIOYUBQXPDGA-LLVKDONJSA-N 1 2 325.792 2.390 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140345281 1314874897 /nfs/dbraw/zinc/87/48/97/1314874897.db2.gz QZHIOYUBQXPDGA-LLVKDONJSA-N 1 2 325.792 2.390 20 10 EECDLO Oc1ccc(O)c(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c1 ZINC001141159570 1315051433 /nfs/dbraw/zinc/05/14/33/1315051433.db2.gz HBCNGLYRCXCXOI-OAHLLOKOSA-N 1 2 343.427 2.353 20 10 EECDLO Oc1ccc(O)c(C[N@@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c1 ZINC001141159570 1315051434 /nfs/dbraw/zinc/05/14/34/1315051434.db2.gz HBCNGLYRCXCXOI-OAHLLOKOSA-N 1 2 343.427 2.353 20 10 EECDLO Cc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(O)cc1Br ZINC001250129004 1317217454 /nfs/dbraw/zinc/21/74/54/1317217454.db2.gz UFVJEPTWAAOJOV-LLVKDONJSA-N 1 2 341.205 2.100 20 10 EECDLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204341468 1322118243 /nfs/dbraw/zinc/11/82/43/1322118243.db2.gz CZFBUCYKDZKORO-UHFFFAOYSA-N 1 2 343.379 2.451 20 10 EECDLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204341468 1322118248 /nfs/dbraw/zinc/11/82/48/1322118248.db2.gz CZFBUCYKDZKORO-UHFFFAOYSA-N 1 2 343.379 2.451 20 10 EECDLO Cn1c[nH+]cc1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001310898520 1331729511 /nfs/dbraw/zinc/72/95/11/1331729511.db2.gz KKOCKYBAUZRZDW-UHFFFAOYSA-N 1 2 347.382 2.452 20 10 EECDLO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC001334851839 1336303804 /nfs/dbraw/zinc/30/38/04/1336303804.db2.gz AGWPHADXKJMUEN-UHFFFAOYSA-N 1 2 328.359 2.089 20 10 EECDLO CCc1cccc(CNc2cnn(CC[NH+]3CCOCC3)c2)c1O ZINC000848899170 1338799461 /nfs/dbraw/zinc/79/94/61/1338799461.db2.gz DJPFZXZDBMKFRZ-UHFFFAOYSA-N 1 2 330.432 2.095 20 10 EECDLO CN1C[C@@H]([N@H+](C)Cc2cccc(Br)c2O)CCC1=O ZINC000862428977 1369536157 /nfs/dbraw/zinc/53/61/57/1369536157.db2.gz YVFUVDFSZAQIKE-NSHDSACASA-N 1 2 327.222 2.207 20 10 EECDLO CN1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2O)CCC1=O ZINC000862428977 1369536164 /nfs/dbraw/zinc/53/61/64/1369536164.db2.gz YVFUVDFSZAQIKE-NSHDSACASA-N 1 2 327.222 2.207 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC12CC2 ZINC001139129907 1372463521 /nfs/dbraw/zinc/46/35/21/1372463521.db2.gz KAQGGFCCDNVJJV-AWEZNQCLSA-N 1 2 343.379 2.192 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC12CC2 ZINC001139129907 1372463525 /nfs/dbraw/zinc/46/35/25/1372463525.db2.gz KAQGGFCCDNVJJV-AWEZNQCLSA-N 1 2 343.379 2.192 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846109744 790052820 /nfs/dbraw/zinc/05/28/20/790052820.db2.gz VOVZOIYKDFGNAX-JGGQBBKZSA-N 1 2 337.416 2.237 20 10 EECDLO Cn1cc(CC[NH2+]Cc2cc(Br)cc(F)c2O)cn1 ZINC000715776613 795501010 /nfs/dbraw/zinc/50/10/10/795501010.db2.gz AOGNNYVPWLPPOU-UHFFFAOYSA-N 1 2 328.185 2.360 20 10 EECDLO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715829092 795537548 /nfs/dbraw/zinc/53/75/48/795537548.db2.gz RRMMOOJKSVQWND-SECBINFHSA-N 1 2 345.212 2.394 20 10 EECDLO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000788627382 807612814 /nfs/dbraw/zinc/61/28/14/807612814.db2.gz XAKOYNUKVKFYDY-ATEUNZGCSA-N 1 2 348.212 2.484 20 10 EECDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093413542 237049670 /nfs/dbraw/zinc/04/96/70/237049670.db2.gz PMHCVTJYSJTCEU-CQSZACIVSA-N 1 2 341.411 2.395 20 10 EECDLO C[C@H](c1nnnn1C1CC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000191895597 237276599 /nfs/dbraw/zinc/27/65/99/237276599.db2.gz YGAUTQWLODVAMZ-CQSZACIVSA-N 1 2 342.447 2.038 20 10 EECDLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000191895597 237276610 /nfs/dbraw/zinc/27/66/10/237276610.db2.gz YGAUTQWLODVAMZ-CQSZACIVSA-N 1 2 342.447 2.038 20 10 EECDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000186781790 464065115 /nfs/dbraw/zinc/06/51/15/464065115.db2.gz OOALBZDAZVGOSO-UHFFFAOYSA-N 1 2 326.396 2.364 20 10 EECDLO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1O ZINC000187780714 464161344 /nfs/dbraw/zinc/16/13/44/464161344.db2.gz VJJNHEXSHPEMPN-XVKPBYJWSA-N 1 2 338.276 2.484 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(CC(F)(F)F)CC2)cc1OC ZINC000179640416 464167489 /nfs/dbraw/zinc/16/74/89/464167489.db2.gz AJFLFKZDMHKSGB-UHFFFAOYSA-N 1 2 334.338 2.089 20 10 EECDLO COc1ccc([NH+]2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 ZINC000301147722 465910540 /nfs/dbraw/zinc/91/05/40/465910540.db2.gz BPVKXNZUWRWVDU-UHFFFAOYSA-N 1 2 344.375 2.057 20 10 EECDLO COc1cc(N2CCN(c3cc(C)[nH+]cn3)CC2)cc(OC)c1OC ZINC000302166578 466109987 /nfs/dbraw/zinc/10/99/87/466109987.db2.gz RPQKLNFKCSGGQN-UHFFFAOYSA-N 1 2 344.415 2.137 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)cc1F ZINC000084866383 534016993 /nfs/dbraw/zinc/01/69/93/534016993.db2.gz IXGRIHRSVFWEBK-AWEZNQCLSA-N 1 2 337.439 2.117 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)CN(C4CC4)C3=O)CC2)cc1 ZINC000777634012 577483642 /nfs/dbraw/zinc/48/36/42/577483642.db2.gz HOPYEIYUSZSNTH-UHFFFAOYSA-N 1 2 329.400 2.091 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C(C)(C)C ZINC000768528371 577557815 /nfs/dbraw/zinc/55/78/15/577557815.db2.gz JAOAGAPJJFAWJH-OAHLLOKOSA-N 1 2 325.405 2.477 20 10 EECDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000761109670 577676833 /nfs/dbraw/zinc/67/68/33/577676833.db2.gz KUZSMZYLBFONSL-IBGZPJMESA-N 1 2 333.476 2.212 20 10 EECDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000761109670 577676834 /nfs/dbraw/zinc/67/68/34/577676834.db2.gz KUZSMZYLBFONSL-IBGZPJMESA-N 1 2 333.476 2.212 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=S)NCCSC)CC2)cc1 ZINC000752749155 577775579 /nfs/dbraw/zinc/77/55/79/577775579.db2.gz ATKALYGQZFUABP-UHFFFAOYSA-N 1 2 339.530 2.491 20 10 EECDLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756355689 577842635 /nfs/dbraw/zinc/84/26/35/577842635.db2.gz QTSPTRFMGONMTN-YUMQZZPRSA-N 1 2 333.201 2.469 20 10 EECDLO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)c(F)cc1O ZINC000756782422 577850159 /nfs/dbraw/zinc/85/01/59/577850159.db2.gz QZTRVURTRYNOQW-ZETCQYMHSA-N 1 2 333.201 2.456 20 10 EECDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000743371821 577884185 /nfs/dbraw/zinc/88/41/85/577884185.db2.gz VKYCVXPXJXXLOX-JTQLQIEISA-N 1 2 335.360 2.233 20 10 EECDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000743371821 577884186 /nfs/dbraw/zinc/88/41/86/577884186.db2.gz VKYCVXPXJXXLOX-JTQLQIEISA-N 1 2 335.360 2.233 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000894540033 682961416 /nfs/dbraw/zinc/96/14/16/682961416.db2.gz AUEUCUCWUIYRJA-CJNGLKHVSA-N 1 2 337.416 2.157 20 10 EECDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000898548556 693367831 /nfs/dbraw/zinc/36/78/31/693367831.db2.gz XWUQCERHJOBYCD-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000898548556 693367837 /nfs/dbraw/zinc/36/78/37/693367837.db2.gz XWUQCERHJOBYCD-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO CSC[C@H](CCO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883016727 1201997053 /nfs/dbraw/zinc/99/70/53/1201997053.db2.gz JPKSNPKOXFKJBH-JTQLQIEISA-N 1 2 338.242 2.497 20 10 EECDLO Cc1cc(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000800130317 1202211132 /nfs/dbraw/zinc/21/11/32/1202211132.db2.gz COZRVWWGOOOSRC-OAHLLOKOSA-N 1 2 343.427 2.367 20 10 EECDLO Cc1cc(C(=O)OCC[N@H+]2CCO[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000800130317 1202211134 /nfs/dbraw/zinc/21/11/34/1202211134.db2.gz COZRVWWGOOOSRC-OAHLLOKOSA-N 1 2 343.427 2.367 20 10 EECDLO COC(=O)c1cncc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000929153092 1206452225 /nfs/dbraw/zinc/45/22/25/1206452225.db2.gz OUVSSJPTMMEBIU-UHFFFAOYSA-N 1 2 341.411 2.199 20 10 EECDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2F)C[C@@H](C)O1 ZINC000900268382 1234136654 /nfs/dbraw/zinc/13/66/54/1234136654.db2.gz AADIDTNLSBZBGF-CHWSQXEVSA-N 1 2 346.406 2.021 20 10 EECDLO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc(CO)on1 ZINC000903448983 1240497545 /nfs/dbraw/zinc/49/75/45/1240497545.db2.gz UYHMZTQOAYGTKU-ACJLOTCBSA-N 1 2 332.448 2.186 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3cncc(C)n3)CC2)cc1 ZINC001203176079 1284318388 /nfs/dbraw/zinc/31/83/88/1284318388.db2.gz VJESHMFFMYLMON-UHFFFAOYSA-N 1 2 342.443 2.132 20 10 EECDLO CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(N)cc1 ZINC000863558596 1296335946 /nfs/dbraw/zinc/33/59/46/1296335946.db2.gz OOSXGKXKGNVRNY-UHFFFAOYSA-N 1 2 344.484 2.111 20 10 EECDLO O=C(COC1CC[NH+](Cc2cccc(Cl)c2O)CC1)NC1CC1 ZINC001231912520 1303945495 /nfs/dbraw/zinc/94/54/95/1303945495.db2.gz KKKGEHSGSKOHAN-UHFFFAOYSA-N 1 2 338.835 2.305 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261915 1304057393 /nfs/dbraw/zinc/05/73/93/1304057393.db2.gz UHYPRNDRPMOCJJ-NSHDSACASA-N 1 2 341.791 2.095 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261915 1304057398 /nfs/dbraw/zinc/05/73/98/1304057398.db2.gz UHYPRNDRPMOCJJ-NSHDSACASA-N 1 2 341.791 2.095 20 10 EECDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3O)C[C@@H]21 ZINC001235301659 1305182947 /nfs/dbraw/zinc/18/29/47/1305182947.db2.gz FJJJRZZCYCRMFQ-IAZYJMLFSA-N 1 2 344.180 2.145 20 10 EECDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3O)C[C@@H]21 ZINC001235301659 1305182953 /nfs/dbraw/zinc/18/29/53/1305182953.db2.gz FJJJRZZCYCRMFQ-IAZYJMLFSA-N 1 2 344.180 2.145 20 10 EECDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)ccc(F)c2Cl)O1 ZINC001237124815 1305806081 /nfs/dbraw/zinc/80/60/81/1305806081.db2.gz SNEIACRRZAMGHX-BNOWGMLFSA-N 1 2 342.798 2.005 20 10 EECDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc(F)c2Cl)O1 ZINC001237124815 1305806095 /nfs/dbraw/zinc/80/60/95/1305806095.db2.gz SNEIACRRZAMGHX-BNOWGMLFSA-N 1 2 342.798 2.005 20 10 EECDLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238059452 1306204768 /nfs/dbraw/zinc/20/47/68/1306204768.db2.gz CUPIVJVEOLXXDW-CYBMUJFWSA-N 1 2 334.395 2.197 20 10 EECDLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238059452 1306204773 /nfs/dbraw/zinc/20/47/73/1306204773.db2.gz CUPIVJVEOLXXDW-CYBMUJFWSA-N 1 2 334.395 2.197 20 10 EECDLO COc1ccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)c(O)c1 ZINC000840296544 1315346895 /nfs/dbraw/zinc/34/68/95/1315346895.db2.gz WZOVYNKTVSEGMO-JSGCOSHPSA-N 1 2 344.415 2.010 20 10 EECDLO COc1ccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)c(O)c1 ZINC000840296544 1315346902 /nfs/dbraw/zinc/34/69/02/1315346902.db2.gz WZOVYNKTVSEGMO-JSGCOSHPSA-N 1 2 344.415 2.010 20 10 EECDLO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001249743270 1317162491 /nfs/dbraw/zinc/16/24/91/1317162491.db2.gz IGUJMSHTSACLRR-DOTOQJQBSA-N 1 2 335.400 2.087 20 10 EECDLO CCOC(=O)CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001249743270 1317162499 /nfs/dbraw/zinc/16/24/99/1317162499.db2.gz IGUJMSHTSACLRR-DOTOQJQBSA-N 1 2 335.400 2.087 20 10 EECDLO COC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2nnn(C)c21 ZINC001204327670 1322113360 /nfs/dbraw/zinc/11/33/60/1322113360.db2.gz DVFDSNNOSOSLOR-MRXNPFEDSA-N 1 2 341.459 2.161 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)Cc2nnn(C)c21 ZINC001204327670 1322113362 /nfs/dbraw/zinc/11/33/62/1322113362.db2.gz DVFDSNNOSOSLOR-MRXNPFEDSA-N 1 2 341.459 2.161 20 10 EECDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206230131 1323433052 /nfs/dbraw/zinc/43/30/52/1323433052.db2.gz YZWLUBVXEWVUJW-HNNXBMFYSA-N 1 2 347.356 2.128 20 10 EECDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206230131 1323433058 /nfs/dbraw/zinc/43/30/58/1323433058.db2.gz YZWLUBVXEWVUJW-HNNXBMFYSA-N 1 2 347.356 2.128 20 10 EECDLO Cc1nnc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1C ZINC001318630210 1332570736 /nfs/dbraw/zinc/57/07/36/1332570736.db2.gz OWTPARAFJQFXFP-UHFFFAOYSA-N 1 2 344.419 2.312 20 10 EECDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC001326132558 1334031142 /nfs/dbraw/zinc/03/11/42/1334031142.db2.gz KKHNUUSPFKPQJM-MRXNPFEDSA-N 1 2 341.459 2.209 20 10 EECDLO CCOc1ccc(N2CC[NH+](CC(=O)NC3CCCC3)CC2)cc1 ZINC001335132076 1336341249 /nfs/dbraw/zinc/34/12/49/1336341249.db2.gz AXOIORGBOPYNRF-UHFFFAOYSA-N 1 2 331.460 2.266 20 10 EECDLO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cccc(-c2nn[nH]n2)c1O ZINC001589977793 1349089200 /nfs/dbraw/zinc/08/92/00/1349089200.db2.gz JFAJBSKJGPRRKP-FABXCBLPSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590241423 1349220441 /nfs/dbraw/zinc/22/04/41/1349220441.db2.gz WFLLCYFURNQJCD-JKGQDXBKSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)CC1(C)OCCO1 ZINC001603552185 1350719428 /nfs/dbraw/zinc/71/94/28/1350719428.db2.gz SSLVZSUOUTWEGM-VXGBXAGGSA-N 1 2 347.419 2.012 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1O ZINC001603655871 1350735018 /nfs/dbraw/zinc/73/50/18/1350735018.db2.gz CFNFYLDHXFXBOB-YPMHNXCESA-N 1 2 337.383 2.227 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603657358 1350735369 /nfs/dbraw/zinc/73/53/69/1350735369.db2.gz LZYDSURNJKGPHT-NWDGAFQWSA-N 1 2 329.404 2.325 20 10 EECDLO CC[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc(-c2nn[nH]n2)c1O ZINC001604055365 1350842117 /nfs/dbraw/zinc/84/21/17/1350842117.db2.gz MUAPZDIEHKQFQS-CQSZACIVSA-N 1 2 333.436 2.412 20 10 EECDLO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000798941178 1371622254 /nfs/dbraw/zinc/62/22/54/1371622254.db2.gz WCPVSHVXVDUVTH-SCZZXKLOSA-N 1 2 336.201 2.342 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000707144795 786138107 /nfs/dbraw/zinc/13/81/07/786138107.db2.gz UCNKHKGUUIWVOM-NSHDSACASA-N 1 2 330.222 2.392 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000707144795 786138111 /nfs/dbraw/zinc/13/81/11/786138111.db2.gz UCNKHKGUUIWVOM-NSHDSACASA-N 1 2 330.222 2.392 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC12COC2 ZINC000824490017 788188411 /nfs/dbraw/zinc/18/84/11/788188411.db2.gz SIJSTJUPECXLDR-LBPRGKRZSA-N 1 2 325.792 2.057 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC12COC2 ZINC000824490017 788188418 /nfs/dbraw/zinc/18/84/18/788188418.db2.gz SIJSTJUPECXLDR-LBPRGKRZSA-N 1 2 325.792 2.057 20 10 EECDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846267095 790109423 /nfs/dbraw/zinc/10/94/23/790109423.db2.gz NHOTUPCSSBBZDH-AWEZNQCLSA-N 1 2 345.399 2.132 20 10 EECDLO Cc1[nH+]c[nH]c1CSCCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182155443 801044658 /nfs/dbraw/zinc/04/46/58/801044658.db2.gz IMIGEIHAOOGUPH-UHFFFAOYSA-N 1 2 335.429 2.112 20 10 EECDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000789214998 807890929 /nfs/dbraw/zinc/89/09/29/807890929.db2.gz YZESSFZFWAPFSU-CVEARBPZSA-N 1 2 348.491 2.176 20 10 EECDLO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C(F)(F)F)O1 ZINC000793698828 810490553 /nfs/dbraw/zinc/49/05/53/810490553.db2.gz IERLEWZDLCFCQE-OCCSQVGLSA-N 1 2 347.333 2.360 20 10 EECDLO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C(F)(F)F)O1 ZINC000793698828 810490559 /nfs/dbraw/zinc/49/05/59/810490559.db2.gz IERLEWZDLCFCQE-OCCSQVGLSA-N 1 2 347.333 2.360 20 10 EECDLO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000296254772 465131418 /nfs/dbraw/zinc/13/14/18/465131418.db2.gz DATOZQZIBXTDTF-GWCFXTLKSA-N 1 2 334.869 2.414 20 10 EECDLO COCCN(C(C)=O)c1nc(C[N@H+](C)Cc2ccccc2O)cs1 ZINC000072964113 463567295 /nfs/dbraw/zinc/56/72/95/463567295.db2.gz NNMKHTDSPARQNP-UHFFFAOYSA-N 1 2 349.456 2.480 20 10 EECDLO COCCN(C(C)=O)c1nc(C[N@@H+](C)Cc2ccccc2O)cs1 ZINC000072964113 463567302 /nfs/dbraw/zinc/56/73/02/463567302.db2.gz NNMKHTDSPARQNP-UHFFFAOYSA-N 1 2 349.456 2.480 20 10 EECDLO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cccc(Cl)c1O)C(F)(F)F ZINC000271996616 464440296 /nfs/dbraw/zinc/44/02/96/464440296.db2.gz TVIFXUBKHUGBSR-ZDUSSCGKSA-N 1 2 349.740 2.319 20 10 EECDLO COC(=O)C[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000295098255 464703357 /nfs/dbraw/zinc/70/33/57/464703357.db2.gz SZEOBKWELJEBHA-UHFFFAOYSA-N 1 2 332.444 2.439 20 10 EECDLO COC(=O)C[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000295098255 464703362 /nfs/dbraw/zinc/70/33/62/464703362.db2.gz SZEOBKWELJEBHA-UHFFFAOYSA-N 1 2 332.444 2.439 20 10 EECDLO CCOC(=O)/C(=C/c1ccc(N(C)CCOC)[nH+]c1)c1nccn1C ZINC000276563989 464980597 /nfs/dbraw/zinc/98/05/97/464980597.db2.gz CASRAGDCMBHRKA-NTCAYCPXSA-N 1 2 344.415 2.001 20 10 EECDLO CCC[C@@H]1NC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000777634041 577483638 /nfs/dbraw/zinc/48/36/38/577483638.db2.gz HWNRXDOKXXZSPZ-INIZCTEOSA-N 1 2 331.416 2.385 20 10 EECDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000770356822 577594559 /nfs/dbraw/zinc/59/45/59/577594559.db2.gz ZSVPJJGXJYYMOP-INIZCTEOSA-N 1 2 326.412 2.290 20 10 EECDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000770356822 577594560 /nfs/dbraw/zinc/59/45/60/577594560.db2.gz ZSVPJJGXJYYMOP-INIZCTEOSA-N 1 2 326.412 2.290 20 10 EECDLO COc1ccc(N2CC[NH+](CN3C[C@@H](C4CC4)CC3=O)CC2)cc1 ZINC000762478265 577701842 /nfs/dbraw/zinc/70/18/42/577701842.db2.gz RNLWNUOYUWJIFJ-INIZCTEOSA-N 1 2 329.444 2.033 20 10 EECDLO COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000756181196 577839895 /nfs/dbraw/zinc/83/98/95/577839895.db2.gz WAAGHMVGKHFFCA-LLVKDONJSA-N 1 2 343.383 2.229 20 10 EECDLO CCn1c[nH+]c2c1CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000897334105 687135079 /nfs/dbraw/zinc/13/50/79/687135079.db2.gz JKBRLABQMXQYPO-UHFFFAOYSA-N 1 2 332.360 2.084 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccnc(C)n3)CC2)c(OC)c1 ZINC000877708659 1200046247 /nfs/dbraw/zinc/04/62/47/1200046247.db2.gz RRPWGBYBIQIHCA-UHFFFAOYSA-N 1 2 328.416 2.124 20 10 EECDLO OC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000883085991 1202009656 /nfs/dbraw/zinc/00/96/56/1202009656.db2.gz IGDOIGDGPYPIET-CYBMUJFWSA-N 1 2 348.212 2.171 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275772641 1205519937 /nfs/dbraw/zinc/51/99/37/1205519937.db2.gz ATDKQYATIZXSLI-BLLLJJGKSA-N 1 2 334.370 2.100 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275772641 1205519938 /nfs/dbraw/zinc/51/99/38/1205519938.db2.gz ATDKQYATIZXSLI-BLLLJJGKSA-N 1 2 334.370 2.100 20 10 EECDLO Oc1cc(F)c(F)cc1CN1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001275772641 1205519939 /nfs/dbraw/zinc/51/99/39/1205519939.db2.gz ATDKQYATIZXSLI-BLLLJJGKSA-N 1 2 334.370 2.100 20 10 EECDLO Oc1cc(F)c(F)cc1CN1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001275772641 1205519940 /nfs/dbraw/zinc/51/99/40/1205519940.db2.gz ATDKQYATIZXSLI-BLLLJJGKSA-N 1 2 334.370 2.100 20 10 EECDLO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001275820964 1205549776 /nfs/dbraw/zinc/54/97/76/1205549776.db2.gz CJHDLRBAXOWFTE-MRXNPFEDSA-N 1 2 340.423 2.264 20 10 EECDLO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc(CO)on1 ZINC000903448986 1240497644 /nfs/dbraw/zinc/49/76/44/1240497644.db2.gz UYHMZTQOAYGTKU-UGSOOPFHSA-N 1 2 332.448 2.186 20 10 EECDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000854003747 1292579584 /nfs/dbraw/zinc/57/95/84/1292579584.db2.gz KZFUJCSZTDGBFV-XHSDSOJGSA-N 1 2 348.491 2.222 20 10 EECDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000854003747 1292579589 /nfs/dbraw/zinc/57/95/89/1292579589.db2.gz KZFUJCSZTDGBFV-XHSDSOJGSA-N 1 2 348.491 2.222 20 10 EECDLO C[C@H]([NH2+]Cc1c(O)cccc1Br)c1nnnn1C1CC1 ZINC000858160485 1294028046 /nfs/dbraw/zinc/02/80/46/1294028046.db2.gz KZKOVKSBTNDVIG-QMMMGPOBSA-N 1 2 338.209 2.327 20 10 EECDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C(=O)OC)CC[C@H]2C(=O)OC)cc1 ZINC000859600418 1294540019 /nfs/dbraw/zinc/54/00/19/1294540019.db2.gz CXRLJUPWCPSHGJ-RDJZCZTQSA-N 1 2 348.443 2.069 20 10 EECDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C(=O)OC)CC[C@H]2C(=O)OC)cc1 ZINC000859600418 1294540035 /nfs/dbraw/zinc/54/00/35/1294540035.db2.gz CXRLJUPWCPSHGJ-RDJZCZTQSA-N 1 2 348.443 2.069 20 10 EECDLO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@H]1C[NH2+]CC1(F)F ZINC001218233061 1297609890 /nfs/dbraw/zinc/60/98/90/1297609890.db2.gz ILZVBSLASGRCPI-ZDUSSCGKSA-N 1 2 335.306 2.315 20 10 EECDLO Cc1cc(C[N@@H+]2CCSC[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828577250 1314465839 /nfs/dbraw/zinc/46/58/39/1314465839.db2.gz XWOLHSJHDHKSDC-QGZVFWFLSA-N 1 2 333.501 2.388 20 10 EECDLO Cc1cc(C[N@H+]2CCSC[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828577250 1314465843 /nfs/dbraw/zinc/46/58/43/1314465843.db2.gz XWOLHSJHDHKSDC-QGZVFWFLSA-N 1 2 333.501 2.388 20 10 EECDLO CC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262566 1304056736 /nfs/dbraw/zinc/05/67/36/1304056736.db2.gz JWJTVXYBUQVSLJ-UHFFFAOYSA-N 1 2 340.851 2.438 20 10 EECDLO Oc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cc(O)c1O ZINC001233014947 1304328814 /nfs/dbraw/zinc/32/88/14/1304328814.db2.gz CAUNRAMLDVSYNN-OAHLLOKOSA-N 1 2 342.386 2.499 20 10 EECDLO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336201 1304435675 /nfs/dbraw/zinc/43/56/75/1304435675.db2.gz CCFISOHHDDXPNH-LBPRGKRZSA-N 1 2 342.386 2.130 20 10 EECDLO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336201 1304435680 /nfs/dbraw/zinc/43/56/80/1304435680.db2.gz CCFISOHHDDXPNH-LBPRGKRZSA-N 1 2 342.386 2.130 20 10 EECDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1Cl ZINC001236817080 1305686576 /nfs/dbraw/zinc/68/65/76/1305686576.db2.gz CMTSIEZDKLZECZ-AAEUAGOBSA-N 1 2 338.835 2.497 20 10 EECDLO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1Cl ZINC001236817080 1305686586 /nfs/dbraw/zinc/68/65/86/1305686586.db2.gz CMTSIEZDKLZECZ-AAEUAGOBSA-N 1 2 338.835 2.497 20 10 EECDLO COC(=O)CC1C[NH+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237072721 1305787741 /nfs/dbraw/zinc/78/77/41/1305787741.db2.gz JJQWPCJXVATGBS-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO O=C(NCc1ccccc1O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001116021413 1305851087 /nfs/dbraw/zinc/85/10/87/1305851087.db2.gz GXPGTZZPLZJFHX-KRWDZBQOSA-N 1 2 325.412 2.458 20 10 EECDLO O=C(NCc1ccccc1O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001116021413 1305851104 /nfs/dbraw/zinc/85/11/04/1305851104.db2.gz GXPGTZZPLZJFHX-KRWDZBQOSA-N 1 2 325.412 2.458 20 10 EECDLO Oc1cccc(Br)c1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140099099 1314810897 /nfs/dbraw/zinc/81/08/97/1314810897.db2.gz WUJZFIPLVOBSEY-STQMWFEESA-N 1 2 336.176 2.399 20 10 EECDLO Oc1cccc(Br)c1C[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140099099 1314810900 /nfs/dbraw/zinc/81/09/00/1314810900.db2.gz WUJZFIPLVOBSEY-STQMWFEESA-N 1 2 336.176 2.399 20 10 EECDLO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[N@H+](C)C1 ZINC000840957035 1315446046 /nfs/dbraw/zinc/44/60/46/1315446046.db2.gz HQELZUYGMPYRIO-NSHDSACASA-N 1 2 347.242 2.236 20 10 EECDLO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[N@@H+](C)C1 ZINC000840957035 1315446049 /nfs/dbraw/zinc/44/60/49/1315446049.db2.gz HQELZUYGMPYRIO-NSHDSACASA-N 1 2 347.242 2.236 20 10 EECDLO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccccc3F)c2)CC1 ZINC001255476476 1318425798 /nfs/dbraw/zinc/42/57/98/1318425798.db2.gz LULSRESBCQAMDV-UHFFFAOYSA-N 1 2 349.431 2.378 20 10 EECDLO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603648848 1350733319 /nfs/dbraw/zinc/73/33/19/1350733319.db2.gz BOAFHAXLBRYWGT-ABAIWWIYSA-N 1 2 331.420 2.164 20 10 EECDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001308570638 1331600087 /nfs/dbraw/zinc/60/00/87/1331600087.db2.gz RALZEQBXUJQHSA-HNNXBMFYSA-N 1 2 325.405 2.108 20 10 EECDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001308570638 1331600089 /nfs/dbraw/zinc/60/00/89/1331600089.db2.gz RALZEQBXUJQHSA-HNNXBMFYSA-N 1 2 325.405 2.108 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cc1 ZINC001321046726 1333005266 /nfs/dbraw/zinc/00/52/66/1333005266.db2.gz LPBJWNKQPOWSPC-UHFFFAOYSA-N 1 2 328.416 2.090 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cc1 ZINC001321046726 1333005270 /nfs/dbraw/zinc/00/52/70/1333005270.db2.gz LPBJWNKQPOWSPC-UHFFFAOYSA-N 1 2 328.416 2.090 20 10 EECDLO CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001590467719 1349343583 /nfs/dbraw/zinc/34/35/83/1349343583.db2.gz CIVIHHZHLGWPFL-CYBMUJFWSA-N 1 2 328.351 2.347 20 10 EECDLO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CO)C2)c(O)c1 ZINC001140948677 1372725286 /nfs/dbraw/zinc/72/52/86/1372725286.db2.gz VGYMAUCOWNJPGK-LJQANCHMSA-N 1 2 326.440 2.379 20 10 EECDLO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CO)C2)c(O)c1 ZINC001140948677 1372725287 /nfs/dbraw/zinc/72/52/87/1372725287.db2.gz VGYMAUCOWNJPGK-LJQANCHMSA-N 1 2 326.440 2.379 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)[C@@H]3CCCO3)CC2)c(C)c(C)[nH+]1 ZINC001089799226 775816150 /nfs/dbraw/zinc/81/61/50/775816150.db2.gz CYFQHHDMHISQOA-KRWDZBQOSA-N 1 2 344.459 2.224 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)c3cocn3)CC2)c(C)c(C)[nH+]1 ZINC001089819373 776769217 /nfs/dbraw/zinc/76/92/17/776769217.db2.gz JIOWXOWOKXBWQZ-UHFFFAOYSA-N 1 2 341.415 2.346 20 10 EECDLO OCc1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000816642011 784164834 /nfs/dbraw/zinc/16/48/34/784164834.db2.gz MWFXCIKRZBCVSK-CYBMUJFWSA-N 1 2 340.786 2.106 20 10 EECDLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000816642011 784164840 /nfs/dbraw/zinc/16/48/40/784164840.db2.gz MWFXCIKRZBCVSK-CYBMUJFWSA-N 1 2 340.786 2.106 20 10 EECDLO CCc1nnc(C[NH2+]Cc2cc(C)cc(Br)c2O)[nH]1 ZINC000824445584 788173405 /nfs/dbraw/zinc/17/34/05/788173405.db2.gz FSUOMQYPMRUVDJ-UHFFFAOYSA-N 1 2 325.210 2.433 20 10 EECDLO CC[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844388995 789057931 /nfs/dbraw/zinc/05/79/31/789057931.db2.gz CDDWQNBJPHKCPD-CRAIPNDOSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844388995 789057940 /nfs/dbraw/zinc/05/79/40/789057940.db2.gz CDDWQNBJPHKCPD-CRAIPNDOSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844388997 789058202 /nfs/dbraw/zinc/05/82/02/789058202.db2.gz CDDWQNBJPHKCPD-QAPCUYQASA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844388997 789058211 /nfs/dbraw/zinc/05/82/11/789058211.db2.gz CDDWQNBJPHKCPD-QAPCUYQASA-N 1 2 333.476 2.210 20 10 EECDLO COc1ccc(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)cc1F ZINC000845748679 789933260 /nfs/dbraw/zinc/93/32/60/789933260.db2.gz ULVXFXSZWWLDBT-CQSZACIVSA-N 1 2 346.406 2.331 20 10 EECDLO C[C@@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)c1ccccc1O ZINC000913763741 794248127 /nfs/dbraw/zinc/24/81/27/794248127.db2.gz QHRQGIUJDTZMSU-OAHLLOKOSA-N 1 2 343.427 2.017 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H](C)C3CC3)cc12 ZINC001184361327 801981315 /nfs/dbraw/zinc/98/13/15/801981315.db2.gz FZVXFHLHOWWHNO-LBPRGKRZSA-N 1 2 344.411 2.154 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H](C)C3CC3)cc12 ZINC001184361327 801981318 /nfs/dbraw/zinc/98/13/18/801981318.db2.gz FZVXFHLHOWWHNO-LBPRGKRZSA-N 1 2 344.411 2.154 20 10 EECDLO CCOC(=O)c1cc2c[nH+]c(NCc3ccc(O)c(O)c3)nc2[nH]1 ZINC001169990304 805192098 /nfs/dbraw/zinc/19/20/98/805192098.db2.gz FBRIYXLOHRLCRB-UHFFFAOYSA-N 1 2 328.328 2.110 20 10 EECDLO CC[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1cccc(Cl)c1O ZINC000287579096 463933256 /nfs/dbraw/zinc/93/32/56/463933256.db2.gz HHNZVQYAELZPSD-MRXNPFEDSA-N 1 2 339.867 2.250 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000289138525 464068018 /nfs/dbraw/zinc/06/80/18/464068018.db2.gz AAYSFAAOPHVTMB-GFCCVEGCSA-N 1 2 334.332 2.338 20 10 EECDLO COc1c(O)c(C[N@H+]2CCC[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000289138525 464068023 /nfs/dbraw/zinc/06/80/23/464068023.db2.gz AAYSFAAOPHVTMB-GFCCVEGCSA-N 1 2 334.332 2.338 20 10 EECDLO COc1cc(O)c(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000290632379 464127113 /nfs/dbraw/zinc/12/71/13/464127113.db2.gz YAGMRJJCKASMCG-CYBMUJFWSA-N 1 2 349.408 2.028 20 10 EECDLO O=C(c1ccccc1O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179942031 464212205 /nfs/dbraw/zinc/21/22/05/464212205.db2.gz ATCLTFAVLMYMOE-UHFFFAOYSA-N 1 2 330.359 2.195 20 10 EECDLO CCOc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000271854544 464394991 /nfs/dbraw/zinc/39/49/91/464394991.db2.gz UOKXYDUGILZXMH-HNNXBMFYSA-N 1 2 333.409 2.409 20 10 EECDLO C[N@H+](Cc1nnc2n1CCOC2)Cc1ccc(N2CCCCC2)cc1 ZINC000281311848 464410885 /nfs/dbraw/zinc/41/08/85/464410885.db2.gz OMTPOONNEMQJMY-UHFFFAOYSA-N 1 2 341.459 2.431 20 10 EECDLO C[N@@H+](Cc1nnc2n1CCOC2)Cc1ccc(N2CCCCC2)cc1 ZINC000281311848 464410891 /nfs/dbraw/zinc/41/08/91/464410891.db2.gz OMTPOONNEMQJMY-UHFFFAOYSA-N 1 2 341.459 2.431 20 10 EECDLO COC(=O)c1cnoc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000285754313 464683892 /nfs/dbraw/zinc/68/38/92/464683892.db2.gz VTZHMJFTTMEPGK-CQSZACIVSA-N 1 2 346.383 2.348 20 10 EECDLO COC(=O)c1cnoc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000285754313 464683896 /nfs/dbraw/zinc/68/38/96/464683896.db2.gz VTZHMJFTTMEPGK-CQSZACIVSA-N 1 2 346.383 2.348 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000274082476 464734220 /nfs/dbraw/zinc/73/42/20/464734220.db2.gz HJCOKLBGUNNXAT-GFCCVEGCSA-N 1 2 333.837 2.063 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000274082476 464734224 /nfs/dbraw/zinc/73/42/24/464734224.db2.gz HJCOKLBGUNNXAT-GFCCVEGCSA-N 1 2 333.837 2.063 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000526961709 467651841 /nfs/dbraw/zinc/65/18/41/467651841.db2.gz IYYLTXLLUWVQGP-UHFFFAOYSA-N 1 2 346.394 2.392 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CCO1 ZINC000529667003 467892274 /nfs/dbraw/zinc/89/22/74/467892274.db2.gz QDWBVVMOESNQHA-LBPRGKRZSA-N 1 2 330.222 2.392 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CCO1 ZINC000529667003 467892275 /nfs/dbraw/zinc/89/22/75/467892275.db2.gz QDWBVVMOESNQHA-LBPRGKRZSA-N 1 2 330.222 2.392 20 10 EECDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000093458256 533732075 /nfs/dbraw/zinc/73/20/75/533732075.db2.gz MIQKDYGUQMIITE-SFHVURJKSA-N 1 2 332.444 2.441 20 10 EECDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000093458256 533732078 /nfs/dbraw/zinc/73/20/78/533732078.db2.gz MIQKDYGUQMIITE-SFHVURJKSA-N 1 2 332.444 2.441 20 10 EECDLO O=C1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)CCN1Cc1ccccc1 ZINC000373990486 534828153 /nfs/dbraw/zinc/82/81/53/534828153.db2.gz AIOVEBGCMLFXPL-INIZCTEOSA-N 1 2 341.367 2.191 20 10 EECDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCCC3)cc2)nc[nH+]1 ZINC000298331562 525807830 /nfs/dbraw/zinc/80/78/30/525807830.db2.gz RXCHCVWEIFOUPP-CQSZACIVSA-N 1 2 327.432 2.482 20 10 EECDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCCC3)cc2)[nH+]cn1 ZINC000298331562 525807838 /nfs/dbraw/zinc/80/78/38/525807838.db2.gz RXCHCVWEIFOUPP-CQSZACIVSA-N 1 2 327.432 2.482 20 10 EECDLO CCCOc1ccc(C[N@H+](C)Cc2nc(CCOC)no2)c(O)c1 ZINC000093587416 528660763 /nfs/dbraw/zinc/66/07/63/528660763.db2.gz HDAJMHWZFFSRQQ-UHFFFAOYSA-N 1 2 335.404 2.385 20 10 EECDLO CCCOc1ccc(C[N@@H+](C)Cc2nc(CCOC)no2)c(O)c1 ZINC000093587416 528660772 /nfs/dbraw/zinc/66/07/72/528660772.db2.gz HDAJMHWZFFSRQQ-UHFFFAOYSA-N 1 2 335.404 2.385 20 10 EECDLO O=S1(=O)CC[C@@H]([N@H+](Cc2cc(Cl)cc(F)c2O)C2CC2)C1 ZINC000775648816 577441755 /nfs/dbraw/zinc/44/17/55/577441755.db2.gz FTNQVANKYVCQMH-GFCCVEGCSA-N 1 2 333.812 2.336 20 10 EECDLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc(Cl)cc(F)c2O)C2CC2)C1 ZINC000775648816 577441756 /nfs/dbraw/zinc/44/17/56/577441756.db2.gz FTNQVANKYVCQMH-GFCCVEGCSA-N 1 2 333.812 2.336 20 10 EECDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775658262 577441983 /nfs/dbraw/zinc/44/19/83/577441983.db2.gz MLHPWNAWGYKJHL-GFCCVEGCSA-N 1 2 327.787 2.174 20 10 EECDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775658262 577441984 /nfs/dbraw/zinc/44/19/84/577441984.db2.gz MLHPWNAWGYKJHL-GFCCVEGCSA-N 1 2 327.787 2.174 20 10 EECDLO Oc1c(Br)cccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000766225457 577515448 /nfs/dbraw/zinc/51/54/48/577515448.db2.gz QJWFGBXTGPMSRO-UHFFFAOYSA-N 1 2 341.249 2.109 20 10 EECDLO CC(=O)NCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756372834 577842918 /nfs/dbraw/zinc/84/29/18/577842918.db2.gz UWMHQWOFGHBUOE-QMMMGPOBSA-N 1 2 333.201 2.471 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896377746 684959674 /nfs/dbraw/zinc/95/96/74/684959674.db2.gz LKCMWONJVAEDIQ-SECBINFHSA-N 1 2 346.196 2.489 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896377746 684959677 /nfs/dbraw/zinc/95/96/77/684959677.db2.gz LKCMWONJVAEDIQ-SECBINFHSA-N 1 2 346.196 2.489 20 10 EECDLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)C1=CC(=O)CS1 ZINC000870996652 1200998156 /nfs/dbraw/zinc/99/81/56/1200998156.db2.gz KRUGTJIPKGQFNB-UHFFFAOYSA-N 1 2 335.454 2.332 20 10 EECDLO COc1ccc(N2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cc1 ZINC001274791498 1205163878 /nfs/dbraw/zinc/16/38/78/1205163878.db2.gz UCDKAYCGESETHR-IBGZPJMESA-N 1 2 340.427 2.058 20 10 EECDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c2ncnn21 ZINC000924759166 1206028207 /nfs/dbraw/zinc/02/82/07/1206028207.db2.gz GAEUMVPINWVCPG-BLLLJJGKSA-N 1 2 345.422 2.174 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)c1O ZINC000931199608 1206614965 /nfs/dbraw/zinc/61/49/65/1206614965.db2.gz DDMZHGKPFMEGNX-UHFFFAOYSA-N 1 2 335.791 2.246 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCc3c(=O)[nH]n(C)c3C2)c1O ZINC000931199608 1206614966 /nfs/dbraw/zinc/61/49/66/1206614966.db2.gz DDMZHGKPFMEGNX-UHFFFAOYSA-N 1 2 335.791 2.246 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779665350 1210736866 /nfs/dbraw/zinc/73/68/66/1210736866.db2.gz KBVYNYXJGPCIEV-INIZCTEOSA-N 1 2 341.459 2.496 20 10 EECDLO Cc1nnc(C[NH2+]Cc2cc(Br)cc(F)c2O)n1C ZINC000715818726 1277767308 /nfs/dbraw/zinc/76/73/08/1277767308.db2.gz QUCBWSUGJKAFIN-UHFFFAOYSA-N 1 2 329.173 2.021 20 10 EECDLO COCCc1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000109761513 1291783914 /nfs/dbraw/zinc/78/39/14/1291783914.db2.gz HVARPZVRMFFIKY-HNNXBMFYSA-N 1 2 347.415 2.145 20 10 EECDLO COCCc1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000109761513 1291783919 /nfs/dbraw/zinc/78/39/19/1291783919.db2.gz HVARPZVRMFFIKY-HNNXBMFYSA-N 1 2 347.415 2.145 20 10 EECDLO COc1ccc(N2CCC[C@]3(C2)C[N@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001276924505 1300286556 /nfs/dbraw/zinc/28/65/56/1300286556.db2.gz KYLXGOOLPIJMAJ-LJQANCHMSA-N 1 2 342.443 2.290 20 10 EECDLO COc1ccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001276924505 1300286568 /nfs/dbraw/zinc/28/65/68/1300286568.db2.gz KYLXGOOLPIJMAJ-LJQANCHMSA-N 1 2 342.443 2.290 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC000781999751 1303919809 /nfs/dbraw/zinc/91/98/09/1303919809.db2.gz OOCQRWVYNBWGHR-UHFFFAOYSA-N 1 2 338.791 2.323 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)Cc2ccccc21 ZINC001233014808 1304328847 /nfs/dbraw/zinc/32/88/47/1304328847.db2.gz CLEWRNVRPZIONL-CQSZACIVSA-N 1 2 329.352 2.076 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)Cc2ccccc21 ZINC001233014808 1304328851 /nfs/dbraw/zinc/32/88/51/1304328851.db2.gz CLEWRNVRPZIONL-CQSZACIVSA-N 1 2 329.352 2.076 20 10 EECDLO Oc1c(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)ccc(F)c1F ZINC001233079830 1304354432 /nfs/dbraw/zinc/35/44/32/1304354432.db2.gz LIIPTFVUAGUMNG-NSHDSACASA-N 1 2 325.290 2.253 20 10 EECDLO Oc1c(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)ccc(F)c1F ZINC001233079830 1304354438 /nfs/dbraw/zinc/35/44/38/1304354438.db2.gz LIIPTFVUAGUMNG-NSHDSACASA-N 1 2 325.290 2.253 20 10 EECDLO CCOC(=O)c1c(C[N@@H+]2CC[C@@](F)(CO)C2)c2ccccc2n1C ZINC001233270488 1304412192 /nfs/dbraw/zinc/41/21/92/1304412192.db2.gz PJRMYIHKTWGJGC-SFHVURJKSA-N 1 2 334.391 2.261 20 10 EECDLO CCOC(=O)c1c(C[N@H+]2CC[C@@](F)(CO)C2)c2ccccc2n1C ZINC001233270488 1304412196 /nfs/dbraw/zinc/41/21/96/1304412196.db2.gz PJRMYIHKTWGJGC-SFHVURJKSA-N 1 2 334.391 2.261 20 10 EECDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304909 1305185397 /nfs/dbraw/zinc/18/53/97/1305185397.db2.gz FOOGIMUVROLCOL-GFCCVEGCSA-N 1 2 345.212 2.346 20 10 EECDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235304909 1305185398 /nfs/dbraw/zinc/18/53/98/1305185398.db2.gz FOOGIMUVROLCOL-GFCCVEGCSA-N 1 2 345.212 2.346 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(Cl)c1 ZINC001236795088 1305679587 /nfs/dbraw/zinc/67/95/87/1305679587.db2.gz IMQWXKDBUOTLFI-JMPLFQLZSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(Cl)c1 ZINC001236795088 1305679594 /nfs/dbraw/zinc/67/95/94/1305679594.db2.gz IMQWXKDBUOTLFI-JMPLFQLZSA-N 1 2 327.808 2.026 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1Br ZINC001237679632 1306042515 /nfs/dbraw/zinc/04/25/15/1306042515.db2.gz SXWXDRLGNBDYFS-GFCCVEGCSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001139126270 1314707561 /nfs/dbraw/zinc/70/75/61/1314707561.db2.gz DDIRFQHSDMWQFQ-OAHLLOKOSA-N 1 2 343.301 2.306 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001139126270 1314707565 /nfs/dbraw/zinc/70/75/65/1314707565.db2.gz DDIRFQHSDMWQFQ-OAHLLOKOSA-N 1 2 343.301 2.306 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326426 1322113128 /nfs/dbraw/zinc/11/31/28/1322113128.db2.gz XYAGNLILMWRODQ-QGZVFWFLSA-N 1 2 330.428 2.241 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326426 1322113134 /nfs/dbraw/zinc/11/31/34/1322113134.db2.gz XYAGNLILMWRODQ-QGZVFWFLSA-N 1 2 330.428 2.241 20 10 EECDLO CCc1nccc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)n1 ZINC001207090042 1323841458 /nfs/dbraw/zinc/84/14/58/1323841458.db2.gz SOLWMLAFEJXEBP-UHFFFAOYSA-N 1 2 342.443 2.378 20 10 EECDLO C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323806211 1333543412 /nfs/dbraw/zinc/54/34/12/1333543412.db2.gz GEBXTAZTDJFRPH-UHFFFAOYSA-N 1 2 345.466 2.296 20 10 EECDLO C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323806211 1333543414 /nfs/dbraw/zinc/54/34/14/1333543414.db2.gz GEBXTAZTDJFRPH-UHFFFAOYSA-N 1 2 345.466 2.296 20 10 EECDLO CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001590468533 1349343167 /nfs/dbraw/zinc/34/31/67/1349343167.db2.gz UGKRMSMSFGYKED-CYBMUJFWSA-N 1 2 347.419 2.345 20 10 EECDLO CCN(C)C(=O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708158764 786754526 /nfs/dbraw/zinc/75/45/26/786754526.db2.gz UKOFISILGRVKIB-UHFFFAOYSA-N 1 2 335.629 2.376 20 10 EECDLO OCCCN1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000824582869 788246094 /nfs/dbraw/zinc/24/60/94/788246094.db2.gz CRBJAGVKGUCXHE-CYBMUJFWSA-N 1 2 343.265 2.091 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144499127 789886774 /nfs/dbraw/zinc/88/67/74/789886774.db2.gz ARJPJFUWQJZFOQ-UHFFFAOYSA-N 1 2 331.368 2.369 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144499127 789886780 /nfs/dbraw/zinc/88/67/80/789886780.db2.gz ARJPJFUWQJZFOQ-UHFFFAOYSA-N 1 2 331.368 2.369 20 10 EECDLO C[N@@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1Cc1ccccc1 ZINC000296016874 465051641 /nfs/dbraw/zinc/05/16/41/465051641.db2.gz MVTDZHVJXSPFEB-AWEZNQCLSA-N 1 2 344.386 2.236 20 10 EECDLO C[N@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1Cc1ccccc1 ZINC000296016874 465051647 /nfs/dbraw/zinc/05/16/47/465051647.db2.gz MVTDZHVJXSPFEB-AWEZNQCLSA-N 1 2 344.386 2.236 20 10 EECDLO C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1n1cc[nH+]c1 ZINC000181194541 464455962 /nfs/dbraw/zinc/45/59/62/464455962.db2.gz ZFSGQKCBUOSPMP-BBZUXEQDSA-N 1 2 327.384 2.417 20 10 EECDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000364588415 466706060 /nfs/dbraw/zinc/70/60/60/466706060.db2.gz JLGHXXPOOSBAPH-SNVBAGLBSA-N 1 2 327.787 2.174 20 10 EECDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000364588415 466706069 /nfs/dbraw/zinc/70/60/69/466706069.db2.gz JLGHXXPOOSBAPH-SNVBAGLBSA-N 1 2 327.787 2.174 20 10 EECDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000377834394 467149713 /nfs/dbraw/zinc/14/97/13/467149713.db2.gz LFDBWKSZETWJFI-SFHVURJKSA-N 1 2 332.444 2.441 20 10 EECDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000377834394 467149715 /nfs/dbraw/zinc/14/97/15/467149715.db2.gz LFDBWKSZETWJFI-SFHVURJKSA-N 1 2 332.444 2.441 20 10 EECDLO Oc1cc2c(cc1C[NH+]1CCN(Cc3cccs3)CC1)[C@@H](O)CO2 ZINC000768442995 577555847 /nfs/dbraw/zinc/55/58/47/577555847.db2.gz VMTJHGXBMDFZEJ-KRWDZBQOSA-N 1 2 346.452 2.197 20 10 EECDLO C[NH+](C)C[C@@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1 ZINC000737366702 578253011 /nfs/dbraw/zinc/25/30/11/578253011.db2.gz WLXUUQRSLQMRJF-CQSZACIVSA-N 1 2 344.411 2.006 20 10 EECDLO C[NH+](C)C[C@@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1 ZINC000737366702 578253012 /nfs/dbraw/zinc/25/30/12/578253012.db2.gz WLXUUQRSLQMRJF-CQSZACIVSA-N 1 2 344.411 2.006 20 10 EECDLO CNc1cc(NCc2cc(F)c(N3CCOCC3)c(F)c2)nc[nH+]1 ZINC000894151357 681789928 /nfs/dbraw/zinc/78/99/28/681789928.db2.gz MYYMVNLGEUCHFC-UHFFFAOYSA-N 1 2 335.358 2.245 20 10 EECDLO CNc1cc(NCc2cc(F)c(N3CCOCC3)c(F)c2)[nH+]cn1 ZINC000894151357 681789932 /nfs/dbraw/zinc/78/99/32/681789932.db2.gz MYYMVNLGEUCHFC-UHFFFAOYSA-N 1 2 335.358 2.245 20 10 EECDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC001142527553 1188227959 /nfs/dbraw/zinc/22/79/59/1188227959.db2.gz YUYXYVHNTCKRNB-UHFFFAOYSA-N 1 2 340.761 2.436 20 10 EECDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463586 1201080978 /nfs/dbraw/zinc/08/09/78/1201080978.db2.gz JAGFGJRRVGKBPW-OAHLLOKOSA-N 1 2 349.475 2.131 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2CCC3(C2)OCCO3)c1O ZINC000093012970 1214751749 /nfs/dbraw/zinc/75/17/49/1214751749.db2.gz ABYGKHDVMQAZER-UHFFFAOYSA-N 1 2 344.205 2.112 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2CCC3(C2)OCCO3)c1O ZINC000093012970 1214751750 /nfs/dbraw/zinc/75/17/50/1214751750.db2.gz ABYGKHDVMQAZER-UHFFFAOYSA-N 1 2 344.205 2.112 20 10 EECDLO O=C(CNc1cccc[nH+]1)NCc1ccc(N2CCSCC2)cc1 ZINC000900254430 1234125214 /nfs/dbraw/zinc/12/52/14/1234125214.db2.gz IVZRVVMURHOARK-UHFFFAOYSA-N 1 2 342.468 2.363 20 10 EECDLO C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C(F)(F)F)c1[O-] ZINC000854231456 1292681955 /nfs/dbraw/zinc/68/19/55/1292681955.db2.gz DJJTWPOTVPSWOX-QMMMGPOBSA-N 1 2 342.321 2.216 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CCc3onc(C(N)=O)c3C2)cc1 ZINC001276958365 1300496684 /nfs/dbraw/zinc/49/66/84/1300496684.db2.gz LYBMRSIEXJXKMS-UHFFFAOYSA-N 1 2 328.416 2.178 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CCc3onc(C(N)=O)c3C2)cc1 ZINC001276958365 1300496691 /nfs/dbraw/zinc/49/66/91/1300496691.db2.gz LYBMRSIEXJXKMS-UHFFFAOYSA-N 1 2 328.416 2.178 20 10 EECDLO CCOC(=O)CCCOc1ccc(CN2CC3(CC[N@@H+]3C)C2)c(O)c1 ZINC001277018326 1300882784 /nfs/dbraw/zinc/88/27/84/1300882784.db2.gz HYLQEIXOLHXZOD-UHFFFAOYSA-N 1 2 348.443 2.004 20 10 EECDLO CCOC(=O)CCCOc1ccc(CN2CC3(CC[N@H+]3C)C2)c(O)c1 ZINC001277018326 1300882793 /nfs/dbraw/zinc/88/27/93/1300882793.db2.gz HYLQEIXOLHXZOD-UHFFFAOYSA-N 1 2 348.443 2.004 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231553694 1303843522 /nfs/dbraw/zinc/84/35/22/1303843522.db2.gz AUTLJTVHCQSUSV-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1)N1CCCC1 ZINC001233080665 1304354816 /nfs/dbraw/zinc/35/48/16/1304354816.db2.gz ZOHCMQKUUHOCFD-CYBMUJFWSA-N 1 2 339.386 2.440 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1)N1CCCC1 ZINC001233080665 1304354820 /nfs/dbraw/zinc/35/48/20/1304354820.db2.gz ZOHCMQKUUHOCFD-CYBMUJFWSA-N 1 2 339.386 2.440 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCc3cnc(SC)nc3C2)cc1OC ZINC001236757220 1305660851 /nfs/dbraw/zinc/66/08/51/1305660851.db2.gz IPXHQWGMRUOOBD-UHFFFAOYSA-N 1 2 347.440 2.480 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCc3cnc(SC)nc3C2)cc1OC ZINC001236757220 1305660860 /nfs/dbraw/zinc/66/08/60/1305660860.db2.gz IPXHQWGMRUOOBD-UHFFFAOYSA-N 1 2 347.440 2.480 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236826150 1305690951 /nfs/dbraw/zinc/69/09/51/1305690951.db2.gz HIVJULVPNDREPK-INIZCTEOSA-N 1 2 327.380 2.500 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236826150 1305690962 /nfs/dbraw/zinc/69/09/62/1305690962.db2.gz HIVJULVPNDREPK-INIZCTEOSA-N 1 2 327.380 2.500 20 10 EECDLO CCOc1ccc(N2CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC001116370194 1305880701 /nfs/dbraw/zinc/88/07/01/1305880701.db2.gz QOCDSHPFGYDWGN-INIZCTEOSA-N 1 2 333.476 2.368 20 10 EECDLO CCOC(=O)c1nc2c(s1)C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001141161795 1315051986 /nfs/dbraw/zinc/05/19/86/1315051986.db2.gz YOJGHPIOLUWSBQ-UHFFFAOYSA-N 1 2 334.397 2.289 20 10 EECDLO CCOC(=O)c1nc2c(s1)C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001141161795 1315051991 /nfs/dbraw/zinc/05/19/91/1315051991.db2.gz YOJGHPIOLUWSBQ-UHFFFAOYSA-N 1 2 334.397 2.289 20 10 EECDLO O=C(Nc1cccc2[nH+]ccn21)c1cc2cc(O)c(O)cc2oc1=O ZINC001155218043 1317506212 /nfs/dbraw/zinc/50/62/12/1317506212.db2.gz FNOJTCXAOOTTSK-UHFFFAOYSA-N 1 2 337.291 2.104 20 10 EECDLO O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275456 1322100980 /nfs/dbraw/zinc/10/09/80/1322100980.db2.gz QOKNHSDYFVETQF-UHFFFAOYSA-N 1 2 330.359 2.195 20 10 EECDLO COC1(CC(=O)N2CC3(C2)C[NH+](Cc2cccc(F)c2O)C3)CCC1 ZINC001276537820 1324000567 /nfs/dbraw/zinc/00/05/67/1324000567.db2.gz NLWHAIIEEGLCMT-UHFFFAOYSA-N 1 2 348.418 2.135 20 10 EECDLO C[C@H]([NH2+]CCCC1CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589963489 1349083216 /nfs/dbraw/zinc/08/32/16/1349083216.db2.gz XKGYOKKIVCSJTL-LBPRGKRZSA-N 1 2 331.420 2.430 20 10 EECDLO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603655897 1350734693 /nfs/dbraw/zinc/73/46/93/1350734693.db2.gz GBIIKWLHSKTPQG-VXGBXAGGSA-N 1 2 330.436 2.096 20 10 EECDLO CC[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604052580 1350840188 /nfs/dbraw/zinc/84/01/88/1350840188.db2.gz CGJHFZOHDNFXCK-XUJVJEKNSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000830729067 1372345795 /nfs/dbraw/zinc/34/57/95/1372345795.db2.gz TXOBIJDBFIXZEU-OAHLLOKOSA-N 1 2 331.460 2.012 20 10 EECDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000830729067 1372345799 /nfs/dbraw/zinc/34/57/99/1372345799.db2.gz TXOBIJDBFIXZEU-OAHLLOKOSA-N 1 2 331.460 2.012 20 10 EECDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N(C)C)cc3)[nH+]cn2)C1 ZINC000840238977 782449495 /nfs/dbraw/zinc/44/94/95/782449495.db2.gz LEVJNWBUQWHEPL-GDBMZVCRSA-N 1 2 341.459 2.362 20 10 EECDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N(C)C)cc3)nc[nH+]2)C1 ZINC000840238977 782449501 /nfs/dbraw/zinc/44/95/01/782449501.db2.gz LEVJNWBUQWHEPL-GDBMZVCRSA-N 1 2 341.459 2.362 20 10 EECDLO COCCCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089814537 776324896 /nfs/dbraw/zinc/32/48/96/776324896.db2.gz GKLQIBQAJIZDKD-UHFFFAOYSA-N 1 2 346.475 2.471 20 10 EECDLO COC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708192366 786764096 /nfs/dbraw/zinc/76/40/96/786764096.db2.gz PKMODUDPYIFLPV-LBPRGKRZSA-N 1 2 338.629 2.295 20 10 EECDLO CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Cl)c1O ZINC000846188736 790083834 /nfs/dbraw/zinc/08/38/34/790083834.db2.gz PAKSEGOKZUCAAB-GXFFZTMASA-N 1 2 332.853 2.120 20 10 EECDLO CCCC[N@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715739297 795492858 /nfs/dbraw/zinc/49/28/58/795492858.db2.gz SCPPFGXTELDGRX-UHFFFAOYSA-N 1 2 333.201 2.381 20 10 EECDLO CCCC[N@@H+](CC(N)=O)Cc1cc(Br)cc(F)c1O ZINC000715739297 795492859 /nfs/dbraw/zinc/49/28/59/795492859.db2.gz SCPPFGXTELDGRX-UHFFFAOYSA-N 1 2 333.201 2.381 20 10 EECDLO CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001598314214 991294159 /nfs/dbraw/zinc/29/41/59/991294159.db2.gz IQDOPUIVKOWJFA-GOSISDBHSA-N 1 2 343.427 2.006 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001521665708 1119267299 /nfs/dbraw/zinc/26/72/99/1119267299.db2.gz BPKCUEDRHNDGRI-OAHLLOKOSA-N 1 2 328.460 2.475 20 10 EECDLO CN(C)c1ccc([C@H](CNC(=O)[C@H](F)C(F)(F)F)[NH+](C)C)cc1 ZINC000891249739 676244545 /nfs/dbraw/zinc/24/45/45/676244545.db2.gz WDRJCEVPFHHDCB-STQMWFEESA-N 1 2 335.345 2.372 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000066688593 462920159 /nfs/dbraw/zinc/92/01/59/462920159.db2.gz CVBYFQKKSOBHPQ-UHFFFAOYSA-N 1 2 349.475 2.425 20 10 EECDLO CN(C)c1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000157028463 463091347 /nfs/dbraw/zinc/09/13/47/463091347.db2.gz RIBOCGOAJYYTFQ-AWEZNQCLSA-N 1 2 326.437 2.043 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000157028463 463091356 /nfs/dbraw/zinc/09/13/56/463091356.db2.gz RIBOCGOAJYYTFQ-AWEZNQCLSA-N 1 2 326.437 2.043 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000279217681 464067128 /nfs/dbraw/zinc/06/71/28/464067128.db2.gz NEOKWXJRUNZAEG-UHFFFAOYSA-N 1 2 333.476 2.212 20 10 EECDLO COCC[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289928083 464101608 /nfs/dbraw/zinc/10/16/08/464101608.db2.gz WFWPQIHFPFBVHN-UHFFFAOYSA-N 1 2 347.371 2.353 20 10 EECDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289928083 464101613 /nfs/dbraw/zinc/10/16/13/464101613.db2.gz WFWPQIHFPFBVHN-UHFFFAOYSA-N 1 2 347.371 2.353 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1F ZINC000293789559 464421647 /nfs/dbraw/zinc/42/16/47/464421647.db2.gz CKMLLQSMSNSLKI-CQSZACIVSA-N 1 2 328.453 2.148 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1F ZINC000293789559 464421653 /nfs/dbraw/zinc/42/16/53/464421653.db2.gz CKMLLQSMSNSLKI-CQSZACIVSA-N 1 2 328.453 2.148 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1O ZINC000378444021 467304177 /nfs/dbraw/zinc/30/41/77/467304177.db2.gz OKOUWERALBZGNX-LBPRGKRZSA-N 1 2 341.205 2.100 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1O ZINC000378444021 467304179 /nfs/dbraw/zinc/30/41/79/467304179.db2.gz OKOUWERALBZGNX-LBPRGKRZSA-N 1 2 341.205 2.100 20 10 EECDLO O=C(C1CC1)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000728300181 576488842 /nfs/dbraw/zinc/48/88/42/576488842.db2.gz ZYWHKWYSSPKDBF-UHFFFAOYSA-N 1 2 339.233 2.209 20 10 EECDLO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000728592823 576508579 /nfs/dbraw/zinc/50/85/79/576508579.db2.gz IFGJNIUWDZBOCQ-QGZVFWFLSA-N 1 2 327.432 2.496 20 10 EECDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(N(C)C)cc1 ZINC000775403971 577436671 /nfs/dbraw/zinc/43/66/71/577436671.db2.gz LKHUHXOFPGCAQW-CYBMUJFWSA-N 1 2 336.399 2.219 20 10 EECDLO COc1cc(O)c(C[NH2+]Cc2n[nH]cc2Br)cc1OC ZINC000776211328 577454747 /nfs/dbraw/zinc/45/47/47/577454747.db2.gz AUXRRGXBEIWXAU-UHFFFAOYSA-N 1 2 342.193 2.185 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N[C@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000743656087 577888631 /nfs/dbraw/zinc/88/86/31/577888631.db2.gz YAOAZIAIROEUAD-HUUCEWRRSA-N 1 2 347.459 2.388 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)Cn2nc3c(cc2=O)CCCC3)cc1 ZINC000746658809 577931846 /nfs/dbraw/zinc/93/18/46/577931846.db2.gz WVNJUIPOHSIDND-UHFFFAOYSA-N 1 2 326.444 2.278 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)Cn2nc3c(cc2=O)CCCC3)cc1 ZINC000746658809 577931847 /nfs/dbraw/zinc/93/18/47/577931847.db2.gz WVNJUIPOHSIDND-UHFFFAOYSA-N 1 2 326.444 2.278 20 10 EECDLO CN(C)c1ccc([C@H](CNC(=O)C(F)C(F)(F)F)[NH+](C)C)cc1 ZINC000891249739 676244544 /nfs/dbraw/zinc/24/45/44/676244544.db2.gz WDRJCEVPFHHDCB-STQMWFEESA-N 1 2 335.345 2.372 20 10 EECDLO CCn1ncnc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000794840227 1198238556 /nfs/dbraw/zinc/23/85/56/1198238556.db2.gz HIEKILKXQKJBPS-CYBMUJFWSA-N 1 2 333.411 2.125 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000825633981 1198428079 /nfs/dbraw/zinc/42/80/79/1198428079.db2.gz GVELXXCGCQHHDH-MFKMUULPSA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000825633981 1198428084 /nfs/dbraw/zinc/42/80/84/1198428084.db2.gz GVELXXCGCQHHDH-MFKMUULPSA-N 1 2 330.222 2.390 20 10 EECDLO CN1C[C@@]2(F)C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@]2(F)C1=O ZINC001273408799 1198630820 /nfs/dbraw/zinc/63/08/20/1198630820.db2.gz GDAMZBMRRAWFOS-QZTJIDSGSA-N 1 2 338.398 2.394 20 10 EECDLO CN1C[C@@]2(F)C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@]2(F)C1=O ZINC001273408799 1198630823 /nfs/dbraw/zinc/63/08/23/1198630823.db2.gz GDAMZBMRRAWFOS-QZTJIDSGSA-N 1 2 338.398 2.394 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000140776531 1204272719 /nfs/dbraw/zinc/27/27/19/1204272719.db2.gz GKEKWMWVZINVAQ-UHFFFAOYSA-N 1 2 329.469 2.489 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000140776531 1204272721 /nfs/dbraw/zinc/27/27/21/1204272721.db2.gz GKEKWMWVZINVAQ-UHFFFAOYSA-N 1 2 329.469 2.489 20 10 EECDLO COc1cc(C[NH+]2CC(C)(NC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231637965 1303875039 /nfs/dbraw/zinc/87/50/39/1303875039.db2.gz UUVOSROMYXIOKE-UHFFFAOYSA-N 1 2 338.404 2.205 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3ccns3)CC2)cc1 ZINC001232194057 1304034116 /nfs/dbraw/zinc/03/41/16/1304034116.db2.gz NGSUQEOUMHEQNU-UHFFFAOYSA-N 1 2 333.457 2.491 20 10 EECDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)c1ccccn1 ZINC001233079622 1304354194 /nfs/dbraw/zinc/35/41/94/1304354194.db2.gz HONHJVRTDNPJDV-UHFFFAOYSA-N 1 2 347.365 2.460 20 10 EECDLO CCOC(=O)c1c(C[N@@H+]2CCCN(C)C(=O)C2)c2ccccc2n1C ZINC001233272262 1304412739 /nfs/dbraw/zinc/41/27/39/1304412739.db2.gz DUYAAKXXKLBYEX-UHFFFAOYSA-N 1 2 343.427 2.019 20 10 EECDLO CCOC(=O)c1c(C[N@H+]2CCCN(C)C(=O)C2)c2ccccc2n1C ZINC001233272262 1304412741 /nfs/dbraw/zinc/41/27/41/1304412741.db2.gz DUYAAKXXKLBYEX-UHFFFAOYSA-N 1 2 343.427 2.019 20 10 EECDLO COc1ccc(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c(O)c1Cl ZINC001236809361 1305685119 /nfs/dbraw/zinc/68/51/19/1305685119.db2.gz LHDMRNRLNBHQTE-CYBMUJFWSA-N 1 2 326.824 2.497 20 10 EECDLO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)c(O)c1Cl ZINC001236809361 1305685126 /nfs/dbraw/zinc/68/51/26/1305685126.db2.gz LHDMRNRLNBHQTE-CYBMUJFWSA-N 1 2 326.824 2.497 20 10 EECDLO Oc1c(Cl)cc(F)cc1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001237814306 1306106978 /nfs/dbraw/zinc/10/69/78/1306106978.db2.gz QDERFLOKNITJHD-GASCZTMLSA-N 1 2 340.826 2.480 20 10 EECDLO Oc1c(Cl)cc(F)cc1CN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001237814306 1306106991 /nfs/dbraw/zinc/10/69/91/1306106991.db2.gz QDERFLOKNITJHD-GASCZTMLSA-N 1 2 340.826 2.480 20 10 EECDLO CCN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(O)c(O)c(OC)c1)C(C)C ZINC001278236019 1308884225 /nfs/dbraw/zinc/88/42/25/1308884225.db2.gz UXJVBZOKWGJYSK-IFXJQAMLSA-N 1 2 348.443 2.328 20 10 EECDLO CCN(C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(O)c(O)c(OC)c1)C(C)C ZINC001278236019 1308884235 /nfs/dbraw/zinc/88/42/35/1308884235.db2.gz UXJVBZOKWGJYSK-IFXJQAMLSA-N 1 2 348.443 2.328 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001139128481 1314708204 /nfs/dbraw/zinc/70/82/04/1314708204.db2.gz VGIOUNLGCOTSAI-CQSZACIVSA-N 1 2 328.412 2.477 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001139128481 1314708206 /nfs/dbraw/zinc/70/82/06/1314708206.db2.gz VGIOUNLGCOTSAI-CQSZACIVSA-N 1 2 328.412 2.477 20 10 EECDLO Cc1c(O)ccc(C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2)c1O ZINC001140747393 1314954688 /nfs/dbraw/zinc/95/46/88/1314954688.db2.gz BJQXNHHYPHPNRJ-UHFFFAOYSA-N 1 2 326.396 2.251 20 10 EECDLO Cc1c(O)ccc(C[N@H+]2CCN(Cc3ccccc3)C(=O)C2)c1O ZINC001140747393 1314954690 /nfs/dbraw/zinc/95/46/90/1314954690.db2.gz BJQXNHHYPHPNRJ-UHFFFAOYSA-N 1 2 326.396 2.251 20 10 EECDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881186 1321981535 /nfs/dbraw/zinc/98/15/35/1321981535.db2.gz MTZRSTPENBUTSH-GXTWGEPZSA-N 1 2 345.399 2.050 20 10 EECDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881186 1321981536 /nfs/dbraw/zinc/98/15/36/1321981536.db2.gz MTZRSTPENBUTSH-GXTWGEPZSA-N 1 2 345.399 2.050 20 10 EECDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588404879 1322509043 /nfs/dbraw/zinc/50/90/43/1322509043.db2.gz PXKBOFYTCHBGHR-PKYBCLHXSA-N 1 2 341.411 2.326 20 10 EECDLO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001603671133 1350738920 /nfs/dbraw/zinc/73/89/20/1350738920.db2.gz YRXFJIMCUGVTNI-GFCCVEGCSA-N 1 2 338.415 2.489 20 10 EECDLO CC[N@@H+]1CCC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001308810625 1331606250 /nfs/dbraw/zinc/60/62/50/1331606250.db2.gz QFXVERQYZOQKNY-HNNXBMFYSA-N 1 2 339.430 2.375 20 10 EECDLO CC[N@H+]1CCC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001308810625 1331606254 /nfs/dbraw/zinc/60/62/54/1331606254.db2.gz QFXVERQYZOQKNY-HNNXBMFYSA-N 1 2 339.430 2.375 20 10 EECDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000847393476 1338024282 /nfs/dbraw/zinc/02/42/82/1338024282.db2.gz MCCBLBTUKIGQJU-GJZGRUSLSA-N 1 2 342.443 2.302 20 10 EECDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000847393476 1338024286 /nfs/dbraw/zinc/02/42/86/1338024286.db2.gz MCCBLBTUKIGQJU-GJZGRUSLSA-N 1 2 342.443 2.302 20 10 EECDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862372991 1369533124 /nfs/dbraw/zinc/53/31/24/1369533124.db2.gz CISKDOLBUWHBLT-SNVBAGLBSA-N 1 2 348.262 2.021 20 10 EECDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862372991 1369533129 /nfs/dbraw/zinc/53/31/29/1369533129.db2.gz CISKDOLBUWHBLT-SNVBAGLBSA-N 1 2 348.262 2.021 20 10 EECDLO CCCOCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089809933 776025635 /nfs/dbraw/zinc/02/56/35/776025635.db2.gz CKEKNBGJJKSMMR-UHFFFAOYSA-N 1 2 346.475 2.471 20 10 EECDLO COC(=O)CC[N@H+](Cc1cc(F)cc(F)c1O)C1CCOCC1 ZINC000894064007 780484483 /nfs/dbraw/zinc/48/44/83/780484483.db2.gz GMYFZJJWYIWDTL-UHFFFAOYSA-N 1 2 329.343 2.215 20 10 EECDLO COC(=O)CC[N@@H+](Cc1cc(F)cc(F)c1O)C1CCOCC1 ZINC000894064007 780484489 /nfs/dbraw/zinc/48/44/89/780484489.db2.gz GMYFZJJWYIWDTL-UHFFFAOYSA-N 1 2 329.343 2.215 20 10 EECDLO CNC(=O)COc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000809720360 783336106 /nfs/dbraw/zinc/33/61/06/783336106.db2.gz DSSDXHJWDMAAIS-UHFFFAOYSA-N 1 2 334.803 2.460 20 10 EECDLO Oc1cc(Br)ccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000825450649 788637536 /nfs/dbraw/zinc/63/75/36/788637536.db2.gz JWKVXTQAWSLZFU-UHFFFAOYSA-N 1 2 328.206 2.494 20 10 EECDLO Oc1cc(Br)ccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000825450649 788637540 /nfs/dbraw/zinc/63/75/40/788637540.db2.gz JWKVXTQAWSLZFU-UHFFFAOYSA-N 1 2 328.206 2.494 20 10 EECDLO COCC[NH+]1CCN(Cc2cc(Br)c(F)cc2O)CC1 ZINC001144292564 789507371 /nfs/dbraw/zinc/50/73/71/789507371.db2.gz FQKNGROZAUMRDG-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H](C)C(C)C)cc12 ZINC001184355252 802000371 /nfs/dbraw/zinc/00/03/71/802000371.db2.gz SZYILGFOPZORPS-CYBMUJFWSA-N 1 2 346.427 2.400 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H](C)C(C)C)cc12 ZINC001184355252 802000381 /nfs/dbraw/zinc/00/03/81/802000381.db2.gz SZYILGFOPZORPS-CYBMUJFWSA-N 1 2 346.427 2.400 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119023547 462868516 /nfs/dbraw/zinc/86/85/16/462868516.db2.gz BPKKARVEAKOVIC-CQSZACIVSA-N 1 2 325.412 2.346 20 10 EECDLO C[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccccc1O ZINC000291274659 464150014 /nfs/dbraw/zinc/15/00/14/464150014.db2.gz UEHGKCHHZHBMLQ-AWEZNQCLSA-N 1 2 325.412 2.497 20 10 EECDLO C[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccccc1O ZINC000291274659 464150019 /nfs/dbraw/zinc/15/00/19/464150019.db2.gz UEHGKCHHZHBMLQ-AWEZNQCLSA-N 1 2 325.412 2.497 20 10 EECDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000271744499 464372088 /nfs/dbraw/zinc/37/20/88/464372088.db2.gz SBHADKYARANPBO-GXTWGEPZSA-N 1 2 340.851 2.409 20 10 EECDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271744499 464372091 /nfs/dbraw/zinc/37/20/91/464372091.db2.gz SBHADKYARANPBO-GXTWGEPZSA-N 1 2 340.851 2.409 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000471827668 467976666 /nfs/dbraw/zinc/97/66/66/467976666.db2.gz RIYHGJPNRWRQNH-CQSZACIVSA-N 1 2 344.459 2.007 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000471827668 467976668 /nfs/dbraw/zinc/97/66/68/467976668.db2.gz RIYHGJPNRWRQNH-CQSZACIVSA-N 1 2 344.459 2.007 20 10 EECDLO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccncc1 ZINC000267936638 527913029 /nfs/dbraw/zinc/91/30/29/527913029.db2.gz TWUPFPVTKQZLBL-UHFFFAOYSA-N 1 2 326.444 2.286 20 10 EECDLO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccncc1 ZINC000267936638 527913033 /nfs/dbraw/zinc/91/30/33/527913033.db2.gz TWUPFPVTKQZLBL-UHFFFAOYSA-N 1 2 326.444 2.286 20 10 EECDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866062 529171482 /nfs/dbraw/zinc/17/14/82/529171482.db2.gz GZOPELWIIPVFHG-KBPBESRZSA-N 1 2 337.439 2.260 20 10 EECDLO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775254015 577433779 /nfs/dbraw/zinc/43/37/79/577433779.db2.gz FTCJYBWVCZREGR-ZIAGYGMSSA-N 1 2 346.431 2.464 20 10 EECDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)C(=O)N1c1cnn(C)c1 ZINC000776224750 577455002 /nfs/dbraw/zinc/45/50/02/577455002.db2.gz VQGILCAKKMMZAN-QMTHXVAHSA-N 1 2 334.807 2.063 20 10 EECDLO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000776871249 577469124 /nfs/dbraw/zinc/46/91/24/577469124.db2.gz ZGXVAPZRMCQKPK-WKPIXPDZSA-N 1 2 331.359 2.142 20 10 EECDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC000768141151 577551144 /nfs/dbraw/zinc/55/11/44/577551144.db2.gz PCMLVWSWQPIEGO-UHFFFAOYSA-N 1 2 330.384 2.342 20 10 EECDLO CCOc1cccc(C[N@H+](C)[C@H](COC(C)C)C(=O)OC)c1O ZINC000770354583 577594514 /nfs/dbraw/zinc/59/45/14/577594514.db2.gz HUNPMTGQIJQKCC-CQSZACIVSA-N 1 2 325.405 2.189 20 10 EECDLO CCOc1cccc(C[N@@H+](C)[C@H](COC(C)C)C(=O)OC)c1O ZINC000770354583 577594515 /nfs/dbraw/zinc/59/45/15/577594515.db2.gz HUNPMTGQIJQKCC-CQSZACIVSA-N 1 2 325.405 2.189 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCCC[C@H](C)CO)CC2)cc1 ZINC000759367962 577641667 /nfs/dbraw/zinc/64/16/67/577641667.db2.gz GNHLOFQHXKRZFI-HNNXBMFYSA-N 1 2 349.475 2.372 20 10 EECDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895921210 684780146 /nfs/dbraw/zinc/78/01/46/684780146.db2.gz OBVRBUPAEHBFLW-RBSFLKMASA-N 1 2 349.450 2.102 20 10 EECDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895921210 684780147 /nfs/dbraw/zinc/78/01/47/684780147.db2.gz OBVRBUPAEHBFLW-RBSFLKMASA-N 1 2 349.450 2.102 20 10 EECDLO COc1ccc(O)c([C@H](C)NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000896165137 684869278 /nfs/dbraw/zinc/86/92/78/684869278.db2.gz VXNNIEAUXWSSPZ-MEDUHNTESA-N 1 2 344.415 2.382 20 10 EECDLO COc1ccc(O)c([C@H](C)NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC000896165137 684869281 /nfs/dbraw/zinc/86/92/81/684869281.db2.gz VXNNIEAUXWSSPZ-MEDUHNTESA-N 1 2 344.415 2.382 20 10 EECDLO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Br)cc(Cl)c1O ZINC000866420994 1201514009 /nfs/dbraw/zinc/51/40/09/1201514009.db2.gz ULVDOMBZDBSTRS-FZYJTZEISA-N 1 2 336.613 2.218 20 10 EECDLO OC[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CCOC1 ZINC000883109120 1202013789 /nfs/dbraw/zinc/01/37/89/1202013789.db2.gz GIPAFJHAYLXGAI-GXSJLCMTSA-N 1 2 348.212 2.028 20 10 EECDLO O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000779475542 1210384289 /nfs/dbraw/zinc/38/42/89/1210384289.db2.gz KMKLNARFLKCJRB-ALCCZGGFSA-N 1 2 327.384 2.003 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000802075990 1236833545 /nfs/dbraw/zinc/83/35/45/1236833545.db2.gz BNKKDDGLJKWFMI-MRXNPFEDSA-N 1 2 349.475 2.425 20 10 EECDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000802075990 1236833552 /nfs/dbraw/zinc/83/35/52/1236833552.db2.gz BNKKDDGLJKWFMI-MRXNPFEDSA-N 1 2 349.475 2.425 20 10 EECDLO C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@H](C(N)=O)C1 ZINC000862332492 1295796554 /nfs/dbraw/zinc/79/65/54/1295796554.db2.gz ISRYWAAHZHXBQJ-CABZTGNLSA-N 1 2 327.222 2.241 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@H](C(N)=O)C1 ZINC000862332492 1295796566 /nfs/dbraw/zinc/79/65/66/1295796566.db2.gz ISRYWAAHZHXBQJ-CABZTGNLSA-N 1 2 327.222 2.241 20 10 EECDLO C[C@@H](C[NH+](C)C)Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228518886 1302300808 /nfs/dbraw/zinc/30/08/08/1302300808.db2.gz KFPXSKMGAYLUIE-JTQLQIEISA-N 1 2 347.367 2.069 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3cncc(O)c3)CC2)cc1 ZINC001232043451 1303982621 /nfs/dbraw/zinc/98/26/21/1303982621.db2.gz ABUROCGXGTYVNT-UHFFFAOYSA-N 1 2 343.427 2.135 20 10 EECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202959 1304036094 /nfs/dbraw/zinc/03/60/94/1304036094.db2.gz JTKPECIFFOSFIQ-GFCCVEGCSA-N 1 2 326.824 2.170 20 10 EECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202959 1304036100 /nfs/dbraw/zinc/03/61/00/1304036100.db2.gz JTKPECIFFOSFIQ-GFCCVEGCSA-N 1 2 326.824 2.170 20 10 EECDLO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CC(O)C3)c2)nc1C ZINC001232451781 1304129764 /nfs/dbraw/zinc/12/97/64/1304129764.db2.gz OUGKGFRXMYNBEW-UHFFFAOYSA-N 1 2 348.424 2.177 20 10 EECDLO O=C(C1CCCCC1)N1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014760 1304328740 /nfs/dbraw/zinc/32/87/40/1304328740.db2.gz ASPSVZLEPPVEFD-UHFFFAOYSA-N 1 2 348.443 2.418 20 10 EECDLO O=C(C1CCCCC1)N1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014760 1304328742 /nfs/dbraw/zinc/32/87/42/1304328742.db2.gz ASPSVZLEPPVEFD-UHFFFAOYSA-N 1 2 348.443 2.418 20 10 EECDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3cccc(C(F)(F)F)c3O)C2)O1 ZINC001233418811 1304461197 /nfs/dbraw/zinc/46/11/97/1304461197.db2.gz XDUUZDPCIBCYAA-CQSZACIVSA-N 1 2 330.306 2.485 20 10 EECDLO O=C1NC[C@@]2(CCC[N@H+](Cc3cccc(C(F)(F)F)c3O)C2)O1 ZINC001233418811 1304461201 /nfs/dbraw/zinc/46/12/01/1304461201.db2.gz XDUUZDPCIBCYAA-CQSZACIVSA-N 1 2 330.306 2.485 20 10 EECDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236753524 1305659286 /nfs/dbraw/zinc/65/92/86/1305659286.db2.gz PDAVZDZLSRORAE-QMMMGPOBSA-N 1 2 332.194 2.157 20 10 EECDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236753524 1305659292 /nfs/dbraw/zinc/65/92/92/1305659292.db2.gz PDAVZDZLSRORAE-QMMMGPOBSA-N 1 2 332.194 2.157 20 10 EECDLO C[NH+]1CCN(c2ccc(CN3CC(F)C3)cc2Br)CC1 ZINC001237090158 1305791431 /nfs/dbraw/zinc/79/14/31/1305791431.db2.gz NSVHEHKNYYSNPI-UHFFFAOYSA-N 1 2 342.256 2.355 20 10 EECDLO Cc1cc(F)cc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)c1O ZINC001238067269 1306207239 /nfs/dbraw/zinc/20/72/39/1306207239.db2.gz MTKKDOOGQCNFDG-UHFFFAOYSA-N 1 2 329.375 2.193 20 10 EECDLO CCOC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)nn1C ZINC001250551746 1317271499 /nfs/dbraw/zinc/27/14/99/1317271499.db2.gz JHTRCNGYOOBSPC-UHFFFAOYSA-N 1 2 330.432 2.295 20 10 EECDLO CCOC(=O)c1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)nn1C ZINC001250551746 1317271503 /nfs/dbraw/zinc/27/15/03/1317271503.db2.gz JHTRCNGYOOBSPC-UHFFFAOYSA-N 1 2 330.432 2.295 20 10 EECDLO COc1cc(Cl)cc(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c1O ZINC001276447792 1322074937 /nfs/dbraw/zinc/07/49/37/1322074937.db2.gz AXDZZABHVQXUJT-UHFFFAOYSA-N 1 2 348.834 2.238 20 10 EECDLO O[C@@H](CNc1ccccc1OCc1ccccc1)C[NH+]1CCOCC1 ZINC000381119860 1322489368 /nfs/dbraw/zinc/48/93/68/1322489368.db2.gz AKAHWMLAJIJMLX-SFHVURJKSA-N 1 2 342.439 2.371 20 10 EECDLO O=c1cccc(CN2CCC23C[NH+](Cc2cccc(F)c2O)C3)[nH]1 ZINC001276537914 1324001379 /nfs/dbraw/zinc/00/13/79/1324001379.db2.gz PQTGOUIWUUDMDL-UHFFFAOYSA-N 1 2 329.375 2.092 20 10 EECDLO COc1ccc(C[NH+]2CCN(C(=O)CC(C)C)CC2)c(O)c1OC ZINC001333664878 1336099521 /nfs/dbraw/zinc/09/95/21/1336099521.db2.gz CAUYVCOFSUYBKM-UHFFFAOYSA-N 1 2 336.432 2.100 20 10 EECDLO CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590464391 1349340098 /nfs/dbraw/zinc/34/00/98/1349340098.db2.gz CGSAFSZWGDQMQV-DOMZBBRYSA-N 1 2 331.420 2.430 20 10 EECDLO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001603463362 1350709524 /nfs/dbraw/zinc/70/95/24/1350709524.db2.gz INILEBWIUGMIFZ-UHIISALHSA-N 1 2 343.387 2.328 20 10 EECDLO C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603662455 1350736838 /nfs/dbraw/zinc/73/68/38/1350736838.db2.gz KVWOTRXSYKUFHW-XHDPSFHLSA-N 1 2 331.420 2.164 20 10 EECDLO CC[C@@H]([NH2+]C[C@]1(OC)CCSC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053742 1350841251 /nfs/dbraw/zinc/84/12/51/1350841251.db2.gz DSPWLOOPCLZQRF-CZUORRHYSA-N 1 2 349.460 2.135 20 10 EECDLO Cc1cc(C(=O)C[NH+]2CCC(O)(CO)CC2)c(C)n1-c1ccccc1 ZINC000852499353 1369277722 /nfs/dbraw/zinc/27/77/22/1369277722.db2.gz ILXUHBXFLRSXPP-UHFFFAOYSA-N 1 2 342.439 2.096 20 10 EECDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000783728599 1371362425 /nfs/dbraw/zinc/36/24/25/1371362425.db2.gz MQNLGTPRNCJZEI-GOSISDBHSA-N 1 2 349.450 2.009 20 10 EECDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000783728599 1371362430 /nfs/dbraw/zinc/36/24/30/1371362430.db2.gz MQNLGTPRNCJZEI-GOSISDBHSA-N 1 2 349.450 2.009 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Br)c(F)cc1O ZINC000840826137 783021015 /nfs/dbraw/zinc/02/10/15/783021015.db2.gz QNLWDLODMISWMS-RKDXNWHRSA-N 1 2 345.212 2.471 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000809764266 783367968 /nfs/dbraw/zinc/36/79/68/783367968.db2.gz HQZBVMWKWPFODA-SNVBAGLBSA-N 1 2 327.222 2.174 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000809764266 783367979 /nfs/dbraw/zinc/36/79/79/783367979.db2.gz HQZBVMWKWPFODA-SNVBAGLBSA-N 1 2 327.222 2.174 20 10 EECDLO Oc1ccccc1C[N@@H+](Cc1cn(C2CC2)nn1)C[C@H]1CCCO1 ZINC000906276744 783797920 /nfs/dbraw/zinc/79/79/20/783797920.db2.gz MZDUWESYAZHTTL-QGZVFWFLSA-N 1 2 328.416 2.500 20 10 EECDLO Oc1ccccc1C[N@H+](Cc1cn(C2CC2)nn1)C[C@H]1CCCO1 ZINC000906276744 783797924 /nfs/dbraw/zinc/79/79/24/783797924.db2.gz MZDUWESYAZHTTL-QGZVFWFLSA-N 1 2 328.416 2.500 20 10 EECDLO CCC[N@H+](CC(=O)NC)Cc1cc(Br)cc(F)c1O ZINC000715738207 795491805 /nfs/dbraw/zinc/49/18/05/795491805.db2.gz MTFRMYUVPOOSPC-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO CCC[N@@H+](CC(=O)NC)Cc1cc(Br)cc(F)c1O ZINC000715738207 795491809 /nfs/dbraw/zinc/49/18/09/795491809.db2.gz MTFRMYUVPOOSPC-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3ccc(OC)nc3)CC2)cc1 ZINC000069654050 203031941 /nfs/dbraw/zinc/03/19/41/203031941.db2.gz XWQQQQLTPOGKTP-UHFFFAOYSA-N 1 2 341.411 2.498 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000296154171 465097438 /nfs/dbraw/zinc/09/74/38/465097438.db2.gz WEYKOHCMGGHDLJ-GFCCVEGCSA-N 1 2 335.404 2.225 20 10 EECDLO COc1c(O)c(C[N@H+]2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000296154171 465097444 /nfs/dbraw/zinc/09/74/44/465097444.db2.gz WEYKOHCMGGHDLJ-GFCCVEGCSA-N 1 2 335.404 2.225 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1F ZINC000066975552 462954511 /nfs/dbraw/zinc/95/45/11/462954511.db2.gz FRVKFUATHWWWPN-UHFFFAOYSA-N 1 2 333.411 2.368 20 10 EECDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179931732 464210808 /nfs/dbraw/zinc/21/08/08/464210808.db2.gz MEMRNKWEJWTNET-OAHLLOKOSA-N 1 2 349.450 2.050 20 10 EECDLO COc1cccc(C(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000179936421 464212811 /nfs/dbraw/zinc/21/28/11/464212811.db2.gz UBJTVXBIDFIXAA-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO CC[N@H+](CC1CCS(=O)(=O)CC1)c1ccc(OC)c(OC)c1 ZINC000271211636 464289737 /nfs/dbraw/zinc/28/97/37/464289737.db2.gz HVPOWULIGXISTP-UHFFFAOYSA-N 1 2 327.446 2.355 20 10 EECDLO CC[N@@H+](CC1CCS(=O)(=O)CC1)c1ccc(OC)c(OC)c1 ZINC000271211636 464289739 /nfs/dbraw/zinc/28/97/39/464289739.db2.gz HVPOWULIGXISTP-UHFFFAOYSA-N 1 2 327.446 2.355 20 10 EECDLO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCC(=O)N1C ZINC000284735732 464316365 /nfs/dbraw/zinc/31/63/65/464316365.db2.gz CZAPGDAPOLAVMD-CZUORRHYSA-N 1 2 348.834 2.231 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000298678126 465469892 /nfs/dbraw/zinc/46/98/92/465469892.db2.gz YWYRLAJVYAGDAE-GOSISDBHSA-N 1 2 341.459 2.319 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000298678126 465469898 /nfs/dbraw/zinc/46/98/98/465469898.db2.gz YWYRLAJVYAGDAE-GOSISDBHSA-N 1 2 341.459 2.319 20 10 EECDLO C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1n1cc[nH+]c1 ZINC000181194563 464455603 /nfs/dbraw/zinc/45/56/03/464455603.db2.gz ZFSGQKCBUOSPMP-UFYXKPLISA-N 1 2 327.384 2.417 20 10 EECDLO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000294994581 464674571 /nfs/dbraw/zinc/67/45/71/464674571.db2.gz HXZHANCWYSQLPY-JTQLQIEISA-N 1 2 341.260 2.116 20 10 EECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(C)o3)CC2)cc1 ZINC000299516542 465783845 /nfs/dbraw/zinc/78/38/45/465783845.db2.gz WFJRAIBALUNSFB-UHFFFAOYSA-N 1 2 343.427 2.149 20 10 EECDLO COc1cc([N+](=O)[O-])c(N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000301868962 466051160 /nfs/dbraw/zinc/05/11/60/466051160.db2.gz CIKTYPBVLIFFGK-UHFFFAOYSA-N 1 2 344.371 2.334 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 ZINC000726561522 576274184 /nfs/dbraw/zinc/27/41/84/576274184.db2.gz BVDAJYAIYHNTMT-UHFFFAOYSA-N 1 2 344.371 2.330 20 10 EECDLO CCN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000773766596 577363571 /nfs/dbraw/zinc/36/35/71/577363571.db2.gz TWAAOIGYMDMZTF-UHFFFAOYSA-N 1 2 338.455 2.496 20 10 EECDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775022415 577426652 /nfs/dbraw/zinc/42/66/52/577426652.db2.gz ZIWSVHCMLIRKAE-CYBMUJFWSA-N 1 2 348.355 2.141 20 10 EECDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000768930711 577565969 /nfs/dbraw/zinc/56/59/69/577565969.db2.gz OUQCORWRMLOHQO-UHFFFAOYSA-N 1 2 332.425 2.420 20 10 EECDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769482387 577578957 /nfs/dbraw/zinc/57/89/57/577578957.db2.gz ZWKNJBCGBDWURD-DEOSSOPVSA-N 1 2 349.544 2.173 20 10 EECDLO C[S@](=O)CCN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769482387 577578958 /nfs/dbraw/zinc/57/89/58/577578958.db2.gz ZWKNJBCGBDWURD-DEOSSOPVSA-N 1 2 349.544 2.173 20 10 EECDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770352908 577594387 /nfs/dbraw/zinc/59/43/87/577594387.db2.gz QCTSHFMGPPBJNR-GOEBONIOSA-N 1 2 349.431 2.167 20 10 EECDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770352908 577594388 /nfs/dbraw/zinc/59/43/88/577594388.db2.gz QCTSHFMGPPBJNR-GOEBONIOSA-N 1 2 349.431 2.167 20 10 EECDLO C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756490649 577844973 /nfs/dbraw/zinc/84/49/73/577844973.db2.gz QMCLEJCOSUICNI-JTQLQIEISA-N 1 2 346.258 2.124 20 10 EECDLO COc1ccc(O)c([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000896165136 684869180 /nfs/dbraw/zinc/86/91/80/684869180.db2.gz VXNNIEAUXWSSPZ-BZNIZROVSA-N 1 2 344.415 2.382 20 10 EECDLO COc1ccc(O)c([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC000896165136 684869184 /nfs/dbraw/zinc/86/91/84/684869184.db2.gz VXNNIEAUXWSSPZ-BZNIZROVSA-N 1 2 344.415 2.382 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896377749 684959723 /nfs/dbraw/zinc/95/97/23/684959723.db2.gz LKCMWONJVAEDIQ-VIFPVBQESA-N 1 2 346.196 2.489 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896377749 684959724 /nfs/dbraw/zinc/95/97/24/684959724.db2.gz LKCMWONJVAEDIQ-VIFPVBQESA-N 1 2 346.196 2.489 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)nc3)CC2)c(OC)c1 ZINC000877708900 1200046538 /nfs/dbraw/zinc/04/65/38/1200046538.db2.gz ZEMYQEGCYOVOIG-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)NCc2c[nH+]cn2C)cc1F ZINC000811877290 1200382006 /nfs/dbraw/zinc/38/20/06/1200382006.db2.gz KLSNLEDBRBNSDX-UHFFFAOYSA-N 1 2 333.411 2.405 20 10 EECDLO Cc1cc(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000800130315 1202211171 /nfs/dbraw/zinc/21/11/71/1202211171.db2.gz COZRVWWGOOOSRC-HNNXBMFYSA-N 1 2 343.427 2.367 20 10 EECDLO Cc1cc(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000800130315 1202211172 /nfs/dbraw/zinc/21/11/72/1202211172.db2.gz COZRVWWGOOOSRC-HNNXBMFYSA-N 1 2 343.427 2.367 20 10 EECDLO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001275409263 1205345843 /nfs/dbraw/zinc/34/58/43/1205345843.db2.gz WWGPPUADMIMNJL-UHFFFAOYSA-N 1 2 325.412 2.330 20 10 EECDLO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001275409263 1205345845 /nfs/dbraw/zinc/34/58/45/1205345845.db2.gz WWGPPUADMIMNJL-UHFFFAOYSA-N 1 2 325.412 2.330 20 10 EECDLO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)n1 ZINC000924713985 1206022716 /nfs/dbraw/zinc/02/27/16/1206022716.db2.gz HNEPQBSOFZZOCX-MJBXVCDLSA-N 1 2 347.438 2.419 20 10 EECDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c2ncnn21 ZINC000924759170 1206028170 /nfs/dbraw/zinc/02/81/70/1206028170.db2.gz GAEUMVPINWVCPG-WBMJQRKESA-N 1 2 345.422 2.174 20 10 EECDLO COc1ccccc1C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778996100 1208432098 /nfs/dbraw/zinc/43/20/98/1208432098.db2.gz NJKIMUDWEPXARB-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)c(C)n1-c1ccccc1C ZINC000303036809 1215738871 /nfs/dbraw/zinc/73/88/71/1215738871.db2.gz HBYBIRXDXCSPOD-UHFFFAOYSA-N 1 2 341.455 2.153 20 10 EECDLO COCCc1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000109761515 1291784403 /nfs/dbraw/zinc/78/44/03/1291784403.db2.gz HVARPZVRMFFIKY-OAHLLOKOSA-N 1 2 347.415 2.145 20 10 EECDLO COCCc1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000109761515 1291784409 /nfs/dbraw/zinc/78/44/09/1291784409.db2.gz HVARPZVRMFFIKY-OAHLLOKOSA-N 1 2 347.415 2.145 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC001231554550 1303843084 /nfs/dbraw/zinc/84/30/84/1303843084.db2.gz XOQYHYKGZWAIKI-LLVKDONJSA-N 1 2 343.221 2.003 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC001231554550 1303843087 /nfs/dbraw/zinc/84/30/87/1303843087.db2.gz XOQYHYKGZWAIKI-LLVKDONJSA-N 1 2 343.221 2.003 20 10 EECDLO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)CC[C@@H]21 ZINC001231909515 1303944242 /nfs/dbraw/zinc/94/42/42/1303944242.db2.gz BJROZNKKHLRUDN-JKSUJKDBSA-N 1 2 338.835 2.257 20 10 EECDLO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)CC[C@@H]21 ZINC001231909515 1303944245 /nfs/dbraw/zinc/94/42/45/1303944245.db2.gz BJROZNKKHLRUDN-JKSUJKDBSA-N 1 2 338.835 2.257 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001233336501 1304436118 /nfs/dbraw/zinc/43/61/18/1304436118.db2.gz NXHUDJDELOPAKA-SNVBAGLBSA-N 1 2 325.290 2.253 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001233336501 1304436124 /nfs/dbraw/zinc/43/61/24/1304436124.db2.gz NXHUDJDELOPAKA-SNVBAGLBSA-N 1 2 325.290 2.253 20 10 EECDLO CN(C1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1)[C@H]1CCOC1 ZINC001233454903 1304470000 /nfs/dbraw/zinc/47/00/00/1304470000.db2.gz OCDWLCWLQPBTGP-ZDUSSCGKSA-N 1 2 330.350 2.316 20 10 EECDLO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cc(Cl)cc(Br)c1O ZINC001237160511 1305811899 /nfs/dbraw/zinc/81/18/99/1305811899.db2.gz QENSLZADQRWBQA-RYUDHWBXSA-N 1 2 349.656 2.227 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1 ZINC001118166466 1306301785 /nfs/dbraw/zinc/30/17/85/1306301785.db2.gz QMHKJWXFBFNJCF-SFHVURJKSA-N 1 2 329.396 2.491 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1 ZINC001118166466 1306301797 /nfs/dbraw/zinc/30/17/97/1306301797.db2.gz QMHKJWXFBFNJCF-SFHVURJKSA-N 1 2 329.396 2.491 20 10 EECDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141076049 1315036870 /nfs/dbraw/zinc/03/68/70/1315036870.db2.gz KTBVHHVHVIRROM-GOSISDBHSA-N 1 2 344.455 2.149 20 10 EECDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141076049 1315036875 /nfs/dbraw/zinc/03/68/75/1315036875.db2.gz KTBVHHVHVIRROM-GOSISDBHSA-N 1 2 344.455 2.149 20 10 EECDLO O=CN[C@@H](Cc1c[nH]c[nH+]1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256957417 1318904514 /nfs/dbraw/zinc/90/45/14/1318904514.db2.gz UEFGIRDXZZMUFA-INIZCTEOSA-N 1 2 348.366 2.280 20 10 EECDLO O=CN[C@@H](Cc1c[nH+]c[nH]1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256957417 1318904517 /nfs/dbraw/zinc/90/45/17/1318904517.db2.gz UEFGIRDXZZMUFA-INIZCTEOSA-N 1 2 348.366 2.280 20 10 EECDLO COc1cc(Cl)cc(CN2CCC[C@]3(C2)C[N@H+](C)CCO3)c1O ZINC001276449136 1322084008 /nfs/dbraw/zinc/08/40/08/1322084008.db2.gz YEKDGZHFGOGOIK-QGZVFWFLSA-N 1 2 340.851 2.351 20 10 EECDLO COc1cc(Cl)cc(CN2CCC[C@]3(C2)C[N@@H+](C)CCO3)c1O ZINC001276449136 1322084012 /nfs/dbraw/zinc/08/40/12/1322084012.db2.gz YEKDGZHFGOGOIK-QGZVFWFLSA-N 1 2 340.851 2.351 20 10 EECDLO CC(C)C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)N1CCOCC1 ZINC001308836373 1331606149 /nfs/dbraw/zinc/60/61/49/1331606149.db2.gz NCVVMUNLVCYCKW-AWEZNQCLSA-N 1 2 342.386 2.034 20 10 EECDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC001324717285 1333745153 /nfs/dbraw/zinc/74/51/53/1333745153.db2.gz ZOIIELRRFGSQSN-INIZCTEOSA-N 1 2 328.324 2.242 20 10 EECDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC001324717285 1333745157 /nfs/dbraw/zinc/74/51/57/1333745157.db2.gz ZOIIELRRFGSQSN-INIZCTEOSA-N 1 2 328.324 2.242 20 10 EECDLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000893946804 780333229 /nfs/dbraw/zinc/33/32/29/780333229.db2.gz RAROZIXSJDJXDW-IUCAKERBSA-N 1 2 345.212 2.380 20 10 EECDLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000893946804 780333232 /nfs/dbraw/zinc/33/32/32/780333232.db2.gz RAROZIXSJDJXDW-IUCAKERBSA-N 1 2 345.212 2.380 20 10 EECDLO CNC(=O)CCC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894062499 780483518 /nfs/dbraw/zinc/48/35/18/780483518.db2.gz XSCFIWFUHGJCLZ-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO CNC(=O)CCC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894062499 780483522 /nfs/dbraw/zinc/48/35/22/780483522.db2.gz XSCFIWFUHGJCLZ-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO COC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708169340 786764401 /nfs/dbraw/zinc/76/44/01/786764401.db2.gz GMLQVXZNPKBKBH-JTQLQIEISA-N 1 2 338.629 2.295 20 10 EECDLO O=C(c1ccc(O)cc1)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137841524 787251430 /nfs/dbraw/zinc/25/14/30/787251430.db2.gz IKSRHWCOXOZHAQ-UHFFFAOYSA-N 1 2 330.359 2.195 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC12COC2 ZINC000824488919 788187881 /nfs/dbraw/zinc/18/78/81/788187881.db2.gz BVHRHAHTDKNUHO-LBPRGKRZSA-N 1 2 343.782 2.196 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC12COC2 ZINC000824488919 788187884 /nfs/dbraw/zinc/18/78/84/788187884.db2.gz BVHRHAHTDKNUHO-LBPRGKRZSA-N 1 2 343.782 2.196 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000824978675 788385560 /nfs/dbraw/zinc/38/55/60/788385560.db2.gz YKLBDCYWNNHCGW-QGZVFWFLSA-N 1 2 340.464 2.292 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000824978675 788385569 /nfs/dbraw/zinc/38/55/69/788385569.db2.gz YKLBDCYWNNHCGW-QGZVFWFLSA-N 1 2 340.464 2.292 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1O ZINC000164241632 789116021 /nfs/dbraw/zinc/11/60/21/789116021.db2.gz YKQUUMXEPUTVID-KRWDZBQOSA-N 1 2 326.396 2.382 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1O ZINC000164241632 789116028 /nfs/dbraw/zinc/11/60/28/789116028.db2.gz YKQUUMXEPUTVID-KRWDZBQOSA-N 1 2 326.396 2.382 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccc(O)cn3)CC2)c(OC)c1 ZINC001144263981 789454140 /nfs/dbraw/zinc/45/41/40/789454140.db2.gz BVCZOARWSZBSCL-UHFFFAOYSA-N 1 2 329.400 2.127 20 10 EECDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144308377 789535634 /nfs/dbraw/zinc/53/56/34/789535634.db2.gz XCXKNUYXDAJPJM-LLVKDONJSA-N 1 2 345.212 2.346 20 10 EECDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144308377 789535641 /nfs/dbraw/zinc/53/56/41/789535641.db2.gz XCXKNUYXDAJPJM-LLVKDONJSA-N 1 2 345.212 2.346 20 10 EECDLO CCCN1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000788268723 807466085 /nfs/dbraw/zinc/46/60/85/807466085.db2.gz FPKIZPLZZIXTIB-UHFFFAOYSA-N 1 2 349.450 2.107 20 10 EECDLO CCCN1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000788268723 807466086 /nfs/dbraw/zinc/46/60/86/807466086.db2.gz FPKIZPLZZIXTIB-UHFFFAOYSA-N 1 2 349.450 2.107 20 10 EECDLO CN(C)c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000105786430 529782367 /nfs/dbraw/zinc/78/23/67/529782367.db2.gz LROGCPDAWRJKMF-MRXNPFEDSA-N 1 2 341.459 2.363 20 10 EECDLO CN(C)c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000105786430 529782368 /nfs/dbraw/zinc/78/23/68/529782368.db2.gz LROGCPDAWRJKMF-MRXNPFEDSA-N 1 2 341.459 2.363 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000097653832 237064459 /nfs/dbraw/zinc/06/44/59/237064459.db2.gz SBWKVPXUMGXRIS-INIZCTEOSA-N 1 2 331.460 2.076 20 10 EECDLO O=C(Cc1ccccc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000116912936 237192971 /nfs/dbraw/zinc/19/29/71/237192971.db2.gz UUWDYWXOFIRFKB-UHFFFAOYSA-N 1 2 328.387 2.418 20 10 EECDLO O=C1NCCN1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191153273 237246848 /nfs/dbraw/zinc/24/68/48/237246848.db2.gz YGFXATMCFZQJQD-UHFFFAOYSA-N 1 2 327.787 2.174 20 10 EECDLO CN(C)c1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c[nH+]1 ZINC000058558983 463609047 /nfs/dbraw/zinc/60/90/47/463609047.db2.gz LYRMNKNYRJIDBZ-UHFFFAOYSA-N 1 2 345.422 2.352 20 10 EECDLO CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cccc(Cl)c1O ZINC000287551080 463924039 /nfs/dbraw/zinc/92/40/39/463924039.db2.gz FQEWXAGPWWBLLK-HNNXBMFYSA-N 1 2 339.867 2.297 20 10 EECDLO CC(C)S(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000178692950 463944123 /nfs/dbraw/zinc/94/41/23/463944123.db2.gz QEDCCLUJOXJYAS-INIZCTEOSA-N 1 2 341.473 2.196 20 10 EECDLO CC(C)S(=O)(=O)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000178692950 463944127 /nfs/dbraw/zinc/94/41/27/463944127.db2.gz QEDCCLUJOXJYAS-INIZCTEOSA-N 1 2 341.473 2.196 20 10 EECDLO O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279154044 464047361 /nfs/dbraw/zinc/04/73/61/464047361.db2.gz HPKXNVJHQYCPLQ-OAHLLOKOSA-N 1 2 329.400 2.256 20 10 EECDLO CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000271757023 464372858 /nfs/dbraw/zinc/37/28/58/464372858.db2.gz HAQMNTLKQWBODG-UHFFFAOYSA-N 1 2 327.432 2.144 20 10 EECDLO CS[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1N(C)C ZINC000272042989 464459036 /nfs/dbraw/zinc/45/90/36/464459036.db2.gz OZYMIEWTVYJONQ-GJZGRUSLSA-N 1 2 326.437 2.211 20 10 EECDLO CS[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1N(C)C ZINC000272042989 464459042 /nfs/dbraw/zinc/45/90/42/464459042.db2.gz OZYMIEWTVYJONQ-GJZGRUSLSA-N 1 2 326.437 2.211 20 10 EECDLO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c(O)c1O ZINC000182149263 464584173 /nfs/dbraw/zinc/58/41/73/464584173.db2.gz WCQDZMJHSWRJTK-UHFFFAOYSA-N 1 2 342.395 2.491 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000274954316 464759777 /nfs/dbraw/zinc/75/97/77/464759777.db2.gz SSGXUXIDZYXMQT-KRWDZBQOSA-N 1 2 349.475 2.478 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000274954316 464759781 /nfs/dbraw/zinc/75/97/81/464759781.db2.gz SSGXUXIDZYXMQT-KRWDZBQOSA-N 1 2 349.475 2.478 20 10 EECDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000177257145 464971270 /nfs/dbraw/zinc/97/12/70/464971270.db2.gz KEAOESDQHCPOIF-CQSZACIVSA-N 1 2 338.379 2.444 20 10 EECDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000177257145 464971276 /nfs/dbraw/zinc/97/12/76/464971276.db2.gz KEAOESDQHCPOIF-CQSZACIVSA-N 1 2 338.379 2.444 20 10 EECDLO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777551531 577481227 /nfs/dbraw/zinc/48/12/27/577481227.db2.gz KIDAATOPIVPVEQ-MRXNPFEDSA-N 1 2 337.427 2.074 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)C(=O)OC(C)(C)C)CC2)cc1 ZINC000764870723 577489857 /nfs/dbraw/zinc/48/98/57/577489857.db2.gz TYCSFXHSHXHCBD-UHFFFAOYSA-N 1 2 334.416 2.122 20 10 EECDLO O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000759594908 577646157 /nfs/dbraw/zinc/64/61/57/577646157.db2.gz OJPRYBBSPQQBQQ-UTCJRWHESA-N 1 2 337.335 2.435 20 10 EECDLO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H]1CCCO1 ZINC000891242363 676231903 /nfs/dbraw/zinc/23/19/03/676231903.db2.gz FRIDTVLKDIUXSJ-BMGDILEWSA-N 1 2 333.476 2.287 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C1CCOCC1 ZINC000894540140 682961431 /nfs/dbraw/zinc/96/14/31/682961431.db2.gz DBVIUWWAGGHTMF-MRXNPFEDSA-N 1 2 337.416 2.157 20 10 EECDLO Cc1ccc(C[NH+]2CC3(C2)CN(C2CCCC2)C(=O)CO3)c(O)c1 ZINC001272765443 1193486895 /nfs/dbraw/zinc/48/68/95/1193486895.db2.gz ILQYUEGBAVPJGF-UHFFFAOYSA-N 1 2 330.428 2.056 20 10 EECDLO O=C1N(Cc2cnoc2)CC[C@]12CCC[N@H+]2Cc1c(O)cccc1F ZINC001273265525 1197887694 /nfs/dbraw/zinc/88/76/94/1197887694.db2.gz HIMYDCVLLOXISS-GOSISDBHSA-N 1 2 345.374 2.286 20 10 EECDLO O=C1N(Cc2cnoc2)CC[C@]12CCC[N@@H+]2Cc1c(O)cccc1F ZINC001273265525 1197887699 /nfs/dbraw/zinc/88/76/99/1197887699.db2.gz HIMYDCVLLOXISS-GOSISDBHSA-N 1 2 345.374 2.286 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2)c(OC)c1 ZINC000879461927 1201079690 /nfs/dbraw/zinc/07/96/90/1201079690.db2.gz JNZDZDASWXZCDY-HNNXBMFYSA-N 1 2 349.475 2.081 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)c(OC)c1 ZINC000879463865 1201080698 /nfs/dbraw/zinc/08/06/98/1201080698.db2.gz SQSLLDJBNNJGPC-CQSZACIVSA-N 1 2 349.475 2.129 20 10 EECDLO Oc1cc(Cl)ccc1C[N@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001275270692 1205295156 /nfs/dbraw/zinc/29/51/56/1205295156.db2.gz FZPJMTCBPOVYGH-CALCHBBNSA-N 1 2 347.846 2.459 20 10 EECDLO Oc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001275270692 1205295157 /nfs/dbraw/zinc/29/51/57/1205295157.db2.gz FZPJMTCBPOVYGH-CALCHBBNSA-N 1 2 347.846 2.459 20 10 EECDLO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(Br)c2O)C1 ZINC000092101154 1214393654 /nfs/dbraw/zinc/39/36/54/1214393654.db2.gz MIIWVGGVFHPMHJ-LBPRGKRZSA-N 1 2 341.249 2.455 20 10 EECDLO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(Br)c2O)C1 ZINC000092101154 1214393661 /nfs/dbraw/zinc/39/36/61/1214393661.db2.gz MIIWVGGVFHPMHJ-LBPRGKRZSA-N 1 2 341.249 2.455 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827772803 1248707228 /nfs/dbraw/zinc/70/72/28/1248707228.db2.gz WNPDPMPOVOOOKU-AEFFLSMTSA-N 1 2 332.444 2.094 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827772803 1248707233 /nfs/dbraw/zinc/70/72/33/1248707233.db2.gz WNPDPMPOVOOOKU-AEFFLSMTSA-N 1 2 332.444 2.094 20 10 EECDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](O)C2)c(C)n1-c1ccc(F)cn1 ZINC000827354233 1247939803 /nfs/dbraw/zinc/93/98/03/1247939803.db2.gz OELQIPYTICFJRI-HNNXBMFYSA-N 1 2 331.391 2.268 20 10 EECDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](O)C2)c(C)n1-c1ccc(F)cn1 ZINC000827354233 1247939820 /nfs/dbraw/zinc/93/98/20/1247939820.db2.gz OELQIPYTICFJRI-HNNXBMFYSA-N 1 2 331.391 2.268 20 10 EECDLO Cc1noc(NC(=O)[C@H]2CC23C[NH+](Cc2ccc(O)c(O)c2)C3)c1C ZINC001276914456 1300238838 /nfs/dbraw/zinc/23/88/38/1300238838.db2.gz RIUHKRDTTWXKIN-CYBMUJFWSA-N 1 2 343.383 2.163 20 10 EECDLO O=C([C@H]1CCSC12C[NH+](Cc1c(O)cccc1F)C2)N1CC=CC1 ZINC001277491398 1303655489 /nfs/dbraw/zinc/65/54/89/1303655489.db2.gz IIIIXQMJKBYVCR-CQSZACIVSA-N 1 2 348.443 2.237 20 10 EECDLO COc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC001233079800 1304353480 /nfs/dbraw/zinc/35/34/80/1304353480.db2.gz KSJUMKSWPAHYNW-LLVKDONJSA-N 1 2 337.326 2.122 20 10 EECDLO COc1cnc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC001233079800 1304353487 /nfs/dbraw/zinc/35/34/87/1304353487.db2.gz KSJUMKSWPAHYNW-LLVKDONJSA-N 1 2 337.326 2.122 20 10 EECDLO CCOC(=O)c1c(C[N@@H+]2CCCC[C@@H]2C(N)=O)c2ccccc2n1C ZINC001233272552 1304412585 /nfs/dbraw/zinc/41/25/85/1304412585.db2.gz PKDNRJCPEFMSIU-MRXNPFEDSA-N 1 2 343.427 2.195 20 10 EECDLO CCOC(=O)c1c(C[N@H+]2CCCC[C@@H]2C(N)=O)c2ccccc2n1C ZINC001233272552 1304412590 /nfs/dbraw/zinc/41/25/90/1304412590.db2.gz PKDNRJCPEFMSIU-MRXNPFEDSA-N 1 2 343.427 2.195 20 10 EECDLO COc1ccnc(O[C@@H]2CC[N@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336354 1304435501 /nfs/dbraw/zinc/43/55/01/1304435501.db2.gz IZLZYWPPAOOVNP-SNVBAGLBSA-N 1 2 337.326 2.122 20 10 EECDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336354 1304435506 /nfs/dbraw/zinc/43/55/06/1304435506.db2.gz IZLZYWPPAOOVNP-SNVBAGLBSA-N 1 2 337.326 2.122 20 10 EECDLO CCN1C[C@@H](C)[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1=O ZINC001233768535 1304586011 /nfs/dbraw/zinc/58/60/11/1304586011.db2.gz TWCSLDZXHHITQH-SNVBAGLBSA-N 1 2 332.322 2.343 20 10 EECDLO CCN1C[C@@H](C)[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1=O ZINC001233768535 1304586013 /nfs/dbraw/zinc/58/60/13/1304586013.db2.gz TWCSLDZXHHITQH-SNVBAGLBSA-N 1 2 332.322 2.343 20 10 EECDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237052357 1305779025 /nfs/dbraw/zinc/77/90/25/1305779025.db2.gz VCJGMZZXUQSMHG-INIZCTEOSA-N 1 2 330.432 2.390 20 10 EECDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237052357 1305779035 /nfs/dbraw/zinc/77/90/35/1305779035.db2.gz VCJGMZZXUQSMHG-INIZCTEOSA-N 1 2 330.432 2.390 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237679307 1306042371 /nfs/dbraw/zinc/04/23/71/1306042371.db2.gz PCEIVDPKZUFJRZ-UHFFFAOYSA-N 1 2 328.206 2.458 20 10 EECDLO CN(C)C(=O)NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237802018 1306098685 /nfs/dbraw/zinc/09/86/85/1306098685.db2.gz KJRDUPYBHWERLP-UHFFFAOYSA-N 1 2 329.803 2.420 20 10 EECDLO O=C(Cc1ccsc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138131446 1314550757 /nfs/dbraw/zinc/55/07/57/1314550757.db2.gz ZUQNEJJGEQHMJV-UHFFFAOYSA-N 1 2 334.416 2.480 20 10 EECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001140580391 1314909231 /nfs/dbraw/zinc/90/92/31/1314909231.db2.gz ALCJFKSANCADPF-KRWDZBQOSA-N 1 2 332.354 2.315 20 10 EECDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001140580391 1314909233 /nfs/dbraw/zinc/90/92/33/1314909233.db2.gz ALCJFKSANCADPF-KRWDZBQOSA-N 1 2 332.354 2.315 20 10 EECDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252823 1317036337 /nfs/dbraw/zinc/03/63/37/1317036337.db2.gz WOOHQDWLZOVRMW-AWEZNQCLSA-N 1 2 347.411 2.340 20 10 EECDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252823 1317036347 /nfs/dbraw/zinc/03/63/47/1317036347.db2.gz WOOHQDWLZOVRMW-AWEZNQCLSA-N 1 2 347.411 2.340 20 10 EECDLO Oc1cc2c(cc1O)CN(c1ccc(Cn3cncn3)c[nH+]1)CCC2 ZINC001155944615 1317797776 /nfs/dbraw/zinc/79/77/76/1317797776.db2.gz JFFZKWLHKQJYPF-UHFFFAOYSA-N 1 2 337.383 2.085 20 10 EECDLO Oc1ccc(Br)cc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001203645850 1321931471 /nfs/dbraw/zinc/93/14/71/1321931471.db2.gz ULYNYRYQSCKTIK-LBPRGKRZSA-N 1 2 329.213 2.383 20 10 EECDLO Oc1ccc(Br)cc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001203645850 1321931474 /nfs/dbraw/zinc/93/14/74/1321931474.db2.gz ULYNYRYQSCKTIK-LBPRGKRZSA-N 1 2 329.213 2.383 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COC)C2)cc1 ZINC001203940607 1321994807 /nfs/dbraw/zinc/99/48/07/1321994807.db2.gz QXZPRUJCIGQMNH-INIZCTEOSA-N 1 2 343.475 2.407 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COC)C2)cc1 ZINC001203940607 1321994809 /nfs/dbraw/zinc/99/48/09/1321994809.db2.gz QXZPRUJCIGQMNH-INIZCTEOSA-N 1 2 343.475 2.407 20 10 EECDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204319031 1322111904 /nfs/dbraw/zinc/11/19/04/1322111904.db2.gz FDAXSJRGRRKKIM-LJQANCHMSA-N 1 2 343.471 2.110 20 10 EECDLO CCOc1ccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)cc1 ZINC001319496846 1332711634 /nfs/dbraw/zinc/71/16/34/1332711634.db2.gz SLUTZHYIBXMCNP-UHFFFAOYSA-N 1 2 331.460 2.220 20 10 EECDLO COc1ccc(N2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000847366332 1337984172 /nfs/dbraw/zinc/98/41/72/1337984172.db2.gz UKEMPRHANOSPJV-HNNXBMFYSA-N 1 2 342.443 2.336 20 10 EECDLO COc1ccc(N2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000847366332 1337984173 /nfs/dbraw/zinc/98/41/73/1337984173.db2.gz UKEMPRHANOSPJV-HNNXBMFYSA-N 1 2 342.443 2.336 20 10 EECDLO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589961103 1349081847 /nfs/dbraw/zinc/08/18/47/1349081847.db2.gz AGTFJBVHRCDLSQ-JVLSTEMRSA-N 1 2 329.404 2.181 20 10 EECDLO CC[C@H]([NH2+]CC1(COC)CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463166 1349338057 /nfs/dbraw/zinc/33/80/57/1349338057.db2.gz HUXJCABRYWURHI-AWEZNQCLSA-N 1 2 331.420 2.430 20 10 EECDLO CC[C@@H]([NH2+]CCc1ccns1)c1cccc(-c2nn[nH]n2)c1O ZINC001590470191 1349343975 /nfs/dbraw/zinc/34/39/75/1349343975.db2.gz PBUGNQRDIVMTBO-CYBMUJFWSA-N 1 2 330.417 2.312 20 10 EECDLO CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1cccc(-c2nn[nH]n2)c1O ZINC001604062189 1350843506 /nfs/dbraw/zinc/84/35/06/1350843506.db2.gz PZTNJSUHDYWBJS-HNNXBMFYSA-N 1 2 341.419 2.164 20 10 EECDLO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000798941179 1371621842 /nfs/dbraw/zinc/62/18/42/1371621842.db2.gz WCPVSHVXVDUVTH-WCBMZHEXSA-N 1 2 336.201 2.342 20 10 EECDLO Cc1cc(O)c(C[NH2+]Cc2nc(-c3nn[nH]n3)cs2)cc1Cl ZINC001592055708 1403991802 /nfs/dbraw/zinc/99/18/02/1403991802.db2.gz ACSFIHKZWRZZEH-UHFFFAOYSA-N 1 2 336.808 2.280 20 10 EECDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707129388 786137620 /nfs/dbraw/zinc/13/76/20/786137620.db2.gz GZARRQVTINCFBO-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000707129388 786137623 /nfs/dbraw/zinc/13/76/23/786137623.db2.gz GZARRQVTINCFBO-GFCCVEGCSA-N 1 2 327.222 2.255 20 10 EECDLO COC(=O)CN(Cc1c[nH+]c2n1CCC2)Cc1cc(Cl)ccc1O ZINC000824769429 788295093 /nfs/dbraw/zinc/29/50/93/788295093.db2.gz UTMGLMKWEKCDFB-UHFFFAOYSA-N 1 2 349.818 2.364 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922934630 788371725 /nfs/dbraw/zinc/37/17/25/788371725.db2.gz NQVCVIFHEDEVPM-NSHDSACASA-N 1 2 334.185 2.189 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C)C(C)C)cc12 ZINC001184355099 802000297 /nfs/dbraw/zinc/00/02/97/802000297.db2.gz QSTLODZMWXQXBB-UHFFFAOYSA-N 1 2 332.400 2.106 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C)C(C)C)cc12 ZINC001184355099 802000305 /nfs/dbraw/zinc/00/03/05/802000305.db2.gz QSTLODZMWXQXBB-UHFFFAOYSA-N 1 2 332.400 2.106 20 10 EECDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC000065425771 803060996 /nfs/dbraw/zinc/06/09/96/803060996.db2.gz GQKMZTMALSLFRS-HNNXBMFYSA-N 1 2 333.476 2.210 20 10 EECDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC000065425771 803061002 /nfs/dbraw/zinc/06/10/02/803061002.db2.gz GQKMZTMALSLFRS-HNNXBMFYSA-N 1 2 333.476 2.210 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000278610810 463973501 /nfs/dbraw/zinc/97/35/01/463973501.db2.gz GNXNSWMIUIPZMS-CYBMUJFWSA-N 1 2 347.864 2.453 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CCOC[C@@]23CCOC3)c1O ZINC000195016052 463976491 /nfs/dbraw/zinc/97/64/91/463976491.db2.gz TWWGQBWOTOERON-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@@]23CCOC3)c1O ZINC000195016052 463976498 /nfs/dbraw/zinc/97/64/98/463976498.db2.gz TWWGQBWOTOERON-HNNXBMFYSA-N 1 2 342.233 2.454 20 10 EECDLO CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc(Cl)c1O ZINC000287751769 463990017 /nfs/dbraw/zinc/99/00/17/463990017.db2.gz QHVFIDLJPQFDPJ-ZDUSSCGKSA-N 1 2 335.853 2.148 20 10 EECDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000187532641 464138998 /nfs/dbraw/zinc/13/89/98/464138998.db2.gz RCKXNHQENGTMBY-CQSZACIVSA-N 1 2 328.206 2.146 20 10 EECDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000187532641 464139000 /nfs/dbraw/zinc/13/90/00/464139000.db2.gz RCKXNHQENGTMBY-CQSZACIVSA-N 1 2 328.206 2.146 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292749807 464329555 /nfs/dbraw/zinc/32/95/55/464329555.db2.gz IJOGDIHSWNKDDB-ZWNOBZJWSA-N 1 2 346.349 2.432 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292749807 464329557 /nfs/dbraw/zinc/32/95/57/464329557.db2.gz IJOGDIHSWNKDDB-ZWNOBZJWSA-N 1 2 346.349 2.432 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cc1F ZINC000084866804 534016703 /nfs/dbraw/zinc/01/67/03/534016703.db2.gz FYRFKBIVZATTFV-SFHVURJKSA-N 1 2 343.402 2.183 20 10 EECDLO COCCCCNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726614681 576280728 /nfs/dbraw/zinc/28/07/28/576280728.db2.gz VTRFPGCMSJHODI-UHFFFAOYSA-N 1 2 335.448 2.390 20 10 EECDLO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000728979070 576569086 /nfs/dbraw/zinc/56/90/86/576569086.db2.gz XSKGFAFNBKMZFQ-GFCCVEGCSA-N 1 2 338.367 2.473 20 10 EECDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775206724 577432719 /nfs/dbraw/zinc/43/27/19/577432719.db2.gz YBHAEEACWNZHIX-SMDDNHRTSA-N 1 2 347.814 2.031 20 10 EECDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775206724 577432720 /nfs/dbraw/zinc/43/27/20/577432720.db2.gz YBHAEEACWNZHIX-SMDDNHRTSA-N 1 2 347.814 2.031 20 10 EECDLO COC(=O)C[N@H+](Cc1cc(Cl)cc(F)c1O)C1CCOCC1 ZINC000775725134 577443866 /nfs/dbraw/zinc/44/38/66/577443866.db2.gz SOTIIPQZQYVWAV-UHFFFAOYSA-N 1 2 331.771 2.339 20 10 EECDLO COC(=O)C[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CCOCC1 ZINC000775725134 577443867 /nfs/dbraw/zinc/44/38/67/577443867.db2.gz SOTIIPQZQYVWAV-UHFFFAOYSA-N 1 2 331.771 2.339 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c1O ZINC000775740533 577444415 /nfs/dbraw/zinc/44/44/15/577444415.db2.gz KUIPFFRGLBRVCM-GWCFXTLKSA-N 1 2 330.222 2.045 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c1O ZINC000775740533 577444414 /nfs/dbraw/zinc/44/44/14/577444414.db2.gz KUIPFFRGLBRVCM-GWCFXTLKSA-N 1 2 330.222 2.045 20 10 EECDLO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000777483227 577479508 /nfs/dbraw/zinc/47/95/08/577479508.db2.gz IYXYRJAGCQLORK-UHFFFAOYSA-N 1 2 331.771 2.387 20 10 EECDLO C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)c(F)cc1O ZINC000756516227 577845508 /nfs/dbraw/zinc/84/55/08/577845508.db2.gz IPFAGMUGFSCCLG-MRVPVSSYSA-N 1 2 333.201 2.423 20 10 EECDLO COC(=O)c1c(C[NH2+]Cc2cc(C)ncn2)c2cc(F)ccc2n1C ZINC000894365608 682645315 /nfs/dbraw/zinc/64/53/15/682645315.db2.gz DTGIGJLVXQURAG-UHFFFAOYSA-N 1 2 342.374 2.492 20 10 EECDLO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c(O)c1OC ZINC000893173025 684036611 /nfs/dbraw/zinc/03/66/11/684036611.db2.gz JSLGXHGBVUAEMB-CYBMUJFWSA-N 1 2 349.408 2.028 20 10 EECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000895192500 684269025 /nfs/dbraw/zinc/26/90/25/684269025.db2.gz HRWBQDKGOKJCEH-HNNXBMFYSA-N 1 2 326.387 2.357 20 10 EECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000895192500 684269030 /nfs/dbraw/zinc/26/90/30/684269030.db2.gz HRWBQDKGOKJCEH-HNNXBMFYSA-N 1 2 326.387 2.357 20 10 EECDLO CCn1c[nH+]c2c1CCN(Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000897336614 687139283 /nfs/dbraw/zinc/13/92/83/687139283.db2.gz JDDCAGOFIVBUHW-UHFFFAOYSA-N 1 2 344.434 2.437 20 10 EECDLO CO[C@@H](C)C(=[NH2+])NOC=C(O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000842036648 1188240592 /nfs/dbraw/zinc/24/05/92/1188240592.db2.gz OFHBSZUUKSZLQS-LBPRGKRZSA-N 1 2 348.378 2.344 20 10 EECDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+]2Cc1cccc(F)c1O ZINC001273304596 1198002947 /nfs/dbraw/zinc/00/29/47/1198002947.db2.gz OMRJYHNSUUPVPY-INIZCTEOSA-N 1 2 328.334 2.363 20 10 EECDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+]2Cc1cccc(F)c1O ZINC001273304596 1198002955 /nfs/dbraw/zinc/00/29/55/1198002955.db2.gz OMRJYHNSUUPVPY-INIZCTEOSA-N 1 2 328.334 2.363 20 10 EECDLO CCCn1cc(C[NH2+]Cc2cccc(Br)c2O)nn1 ZINC000877478768 1199942082 /nfs/dbraw/zinc/94/20/82/1199942082.db2.gz MNXWEZDXJGZKOB-UHFFFAOYSA-N 1 2 325.210 2.446 20 10 EECDLO CCn1ncnc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883108492 1202013926 /nfs/dbraw/zinc/01/39/26/1202013926.db2.gz JNOYEWQEJKDGSP-UHFFFAOYSA-N 1 2 329.173 2.195 20 10 EECDLO Cc1cc(C)c(C[NH+]2CC3(C2)CN(C2CCCC2)C(=O)CO3)c(O)c1 ZINC001274214239 1204466523 /nfs/dbraw/zinc/46/65/23/1204466523.db2.gz SNXZOYWOLVRYKQ-UHFFFAOYSA-N 1 2 344.455 2.365 20 10 EECDLO CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001274365540 1205010098 /nfs/dbraw/zinc/01/00/98/1205010098.db2.gz FWJBNWKQIYESBP-INIZCTEOSA-N 1 2 340.782 2.156 20 10 EECDLO CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001274365540 1205010100 /nfs/dbraw/zinc/01/01/00/1205010100.db2.gz FWJBNWKQIYESBP-INIZCTEOSA-N 1 2 340.782 2.156 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001275773068 1205520563 /nfs/dbraw/zinc/52/05/63/1205520563.db2.gz GHFHCCSUOQFYID-AEFFLSMTSA-N 1 2 349.381 2.084 20 10 EECDLO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001275773068 1205520564 /nfs/dbraw/zinc/52/05/64/1205520564.db2.gz GHFHCCSUOQFYID-AEFFLSMTSA-N 1 2 349.381 2.084 20 10 EECDLO CCn1ccnc1CN1CC2(C1)C[NH+](Cc1c(O)cccc1F)C2 ZINC001276353959 1213898474 /nfs/dbraw/zinc/89/84/74/1213898474.db2.gz AOTMYDSULQDHCQ-UHFFFAOYSA-N 1 2 330.407 2.066 20 10 EECDLO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(Cl)c1O ZINC001276380413 1250124165 /nfs/dbraw/zinc/12/41/65/1250124165.db2.gz SSNMMWKPBMFWHQ-HOTGVXAUSA-N 1 2 340.851 2.315 20 10 EECDLO COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(Cl)c1O ZINC001276380413 1250124183 /nfs/dbraw/zinc/12/41/83/1250124183.db2.gz SSNMMWKPBMFWHQ-HOTGVXAUSA-N 1 2 340.851 2.315 20 10 EECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)c(OC)cc1O ZINC001233140563 1304373326 /nfs/dbraw/zinc/37/33/26/1304373326.db2.gz MRHVPSOKFXYGCI-MRVPVSSYSA-N 1 2 332.194 2.157 20 10 EECDLO COC1CCN(c2ccc(C[N@H+](C)Cc3n[nH]c(=O)o3)cc2)CC1 ZINC000852186133 1292031946 /nfs/dbraw/zinc/03/19/46/1292031946.db2.gz CAFVEYZWVXQDQZ-UHFFFAOYSA-N 1 2 332.404 2.022 20 10 EECDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3n[nH]c(=O)o3)cc2)CC1 ZINC000852186133 1292031956 /nfs/dbraw/zinc/03/19/56/1292031956.db2.gz CAFVEYZWVXQDQZ-UHFFFAOYSA-N 1 2 332.404 2.022 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OCCO)CC2)c1O ZINC000316758327 1298631969 /nfs/dbraw/zinc/63/19/69/1298631969.db2.gz FXXVAKYFLNUFTC-UHFFFAOYSA-N 1 2 327.808 2.222 20 10 EECDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277013475 1300863627 /nfs/dbraw/zinc/86/36/27/1300863627.db2.gz BNDYGWHEMMBRDZ-IYBDPMFKSA-N 1 2 340.427 2.137 20 10 EECDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277013475 1300863640 /nfs/dbraw/zinc/86/36/40/1300863640.db2.gz BNDYGWHEMMBRDZ-IYBDPMFKSA-N 1 2 340.427 2.137 20 10 EECDLO CCn1nnc2c1CC[N@H+](Cc1c(C)cc(C)cc1O)[C@@H]2COC ZINC001231843737 1303928769 /nfs/dbraw/zinc/92/87/69/1303928769.db2.gz FMWDKIGLNYFCJK-MRXNPFEDSA-N 1 2 330.432 2.366 20 10 EECDLO CCn1nnc2c1CC[N@@H+](Cc1c(C)cc(C)cc1O)[C@@H]2COC ZINC001231843737 1303928774 /nfs/dbraw/zinc/92/87/74/1303928774.db2.gz FMWDKIGLNYFCJK-MRXNPFEDSA-N 1 2 330.432 2.366 20 10 EECDLO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(Cl)c2O)O1 ZINC001231911625 1303944187 /nfs/dbraw/zinc/94/41/87/1303944187.db2.gz NXLUBYBWXRCOAZ-KFWWJZLASA-N 1 2 338.835 2.302 20 10 EECDLO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2O)O1 ZINC001231911625 1303944190 /nfs/dbraw/zinc/94/41/90/1303944190.db2.gz NXLUBYBWXRCOAZ-KFWWJZLASA-N 1 2 338.835 2.302 20 10 EECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)c(OC)cc1O ZINC001233140563 1304373320 /nfs/dbraw/zinc/37/33/20/1304373320.db2.gz MRHVPSOKFXYGCI-MRVPVSSYSA-N 1 2 332.194 2.157 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236752705 1305659216 /nfs/dbraw/zinc/65/92/16/1305659216.db2.gz FPPSFBOQXHIXTG-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO COc1ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c(O)c1Cl ZINC001236801462 1305682098 /nfs/dbraw/zinc/68/20/98/1305682098.db2.gz IWQJGZLWBVKEEL-UHFFFAOYSA-N 1 2 325.792 2.378 20 10 EECDLO CC(C)(C)c1cc(O)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1Cl ZINC001248883276 1310963466 /nfs/dbraw/zinc/96/34/66/1310963466.db2.gz CWWVUJSXVHAIPH-AWEZNQCLSA-N 1 2 326.824 2.029 20 10 EECDLO CC(C)(C)c1cc(O)c(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1Cl ZINC001248883276 1310963471 /nfs/dbraw/zinc/96/34/71/1310963471.db2.gz CWWVUJSXVHAIPH-AWEZNQCLSA-N 1 2 326.824 2.029 20 10 EECDLO CCOc1cccc(C[N@H+]2Cc3nnn(CC)c3[C@H](COC)C2)c1O ZINC001203603619 1321920930 /nfs/dbraw/zinc/92/09/30/1321920930.db2.gz UIJVHTIGZLDMQM-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO CCOc1cccc(C[N@@H+]2Cc3nnn(CC)c3[C@H](COC)C2)c1O ZINC001203603619 1321920932 /nfs/dbraw/zinc/92/09/32/1321920932.db2.gz UIJVHTIGZLDMQM-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3c(O)ccc(F)c3F)[C@@H]2C1 ZINC001276472718 1322175649 /nfs/dbraw/zinc/17/56/49/1322175649.db2.gz QATWWLSIWVTXRL-SMDDNHRTSA-N 1 2 339.386 2.295 20 10 EECDLO Cc1cc(CN2CCC3(C[NH+](Cc4cccc(F)c4O)C3)C2)n(C)n1 ZINC001276538869 1324007501 /nfs/dbraw/zinc/00/75/01/1324007501.db2.gz JBMHKBFLHTUUSS-UHFFFAOYSA-N 1 2 344.434 2.281 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961988 1349082203 /nfs/dbraw/zinc/08/22/03/1349082203.db2.gz FXOZDZHLYLNQIY-RYUDHWBXSA-N 1 2 330.436 2.096 20 10 EECDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862352171 1369531658 /nfs/dbraw/zinc/53/16/58/1369531658.db2.gz YZCNZCPRIRQZNS-CYBMUJFWSA-N 1 2 327.419 2.183 20 10 EECDLO Cc1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(N2CCCC2)[nH+]1 ZINC000828139079 1372238465 /nfs/dbraw/zinc/23/84/65/1372238465.db2.gz WNWYFAFARMCMQV-UHFFFAOYSA-N 1 2 345.374 2.471 20 10 EECDLO CC[C@H](OC)C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089815340 776361176 /nfs/dbraw/zinc/36/11/76/776361176.db2.gz UXYICKRAPYVWAY-KRWDZBQOSA-N 1 2 346.475 2.470 20 10 EECDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809700298 783288567 /nfs/dbraw/zinc/28/85/67/783288567.db2.gz CCHMZHCWLMEFLF-FZMZJTMJSA-N 1 2 328.815 2.480 20 10 EECDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809700298 783288574 /nfs/dbraw/zinc/28/85/74/783288574.db2.gz CCHMZHCWLMEFLF-FZMZJTMJSA-N 1 2 328.815 2.480 20 10 EECDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824576561 788221845 /nfs/dbraw/zinc/22/18/45/788221845.db2.gz OVSXSIKYNNQEQX-LLVKDONJSA-N 1 2 343.221 2.427 20 10 EECDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824576561 788221851 /nfs/dbraw/zinc/22/18/51/788221851.db2.gz OVSXSIKYNNQEQX-LLVKDONJSA-N 1 2 343.221 2.427 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000844402477 789070665 /nfs/dbraw/zinc/07/06/65/789070665.db2.gz YYZVNDUROQEZOV-CYBMUJFWSA-N 1 2 334.420 2.354 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000844402477 789070675 /nfs/dbraw/zinc/07/06/75/789070675.db2.gz YYZVNDUROQEZOV-CYBMUJFWSA-N 1 2 334.420 2.354 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1 ZINC000844737316 789364058 /nfs/dbraw/zinc/36/40/58/789364058.db2.gz MQEHZJAFHIOAQL-NHYWBVRUSA-N 1 2 337.416 2.158 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1 ZINC000844737316 789364069 /nfs/dbraw/zinc/36/40/69/789364069.db2.gz MQEHZJAFHIOAQL-NHYWBVRUSA-N 1 2 337.416 2.158 20 10 EECDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179675775 464172574 /nfs/dbraw/zinc/17/25/74/464172574.db2.gz YSHBAZBJKHVJKC-ZDUSSCGKSA-N 1 2 339.867 2.078 20 10 EECDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000179708835 464176479 /nfs/dbraw/zinc/17/64/79/464176479.db2.gz NERGRXBAWMSNSD-LJQANCHMSA-N 1 2 331.460 2.014 20 10 EECDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000179708835 464176483 /nfs/dbraw/zinc/17/64/83/464176483.db2.gz NERGRXBAWMSNSD-LJQANCHMSA-N 1 2 331.460 2.014 20 10 EECDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nnnn1C ZINC000189483889 464515578 /nfs/dbraw/zinc/51/55/78/464515578.db2.gz GOVXLIGVKIMBJH-VIFPVBQESA-N 1 2 340.225 2.261 20 10 EECDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nnnn1C ZINC000189483889 464515584 /nfs/dbraw/zinc/51/55/84/464515584.db2.gz GOVXLIGVKIMBJH-VIFPVBQESA-N 1 2 340.225 2.261 20 10 EECDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nnnn1C ZINC000189483911 464516352 /nfs/dbraw/zinc/51/63/52/464516352.db2.gz GOVXLIGVKIMBJH-SECBINFHSA-N 1 2 340.225 2.261 20 10 EECDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nnnn1C ZINC000189483911 464516359 /nfs/dbraw/zinc/51/63/59/464516359.db2.gz GOVXLIGVKIMBJH-SECBINFHSA-N 1 2 340.225 2.261 20 10 EECDLO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000182631180 464698216 /nfs/dbraw/zinc/69/82/16/464698216.db2.gz HTKXOZFOERMRPN-UHFFFAOYSA-N 1 2 344.864 2.092 20 10 EECDLO COc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)cc(OC)c1OC ZINC000183997383 464934498 /nfs/dbraw/zinc/93/44/98/464934498.db2.gz HHEISKJZIZWQDP-UHFFFAOYSA-N 1 2 344.415 2.137 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000377695792 467118966 /nfs/dbraw/zinc/11/89/66/467118966.db2.gz MTTKNUTXPKSKGS-ZIAGYGMSSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000377695792 467118968 /nfs/dbraw/zinc/11/89/68/467118968.db2.gz MTTKNUTXPKSKGS-ZIAGYGMSSA-N 1 2 327.808 2.434 20 10 EECDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000377834393 467149223 /nfs/dbraw/zinc/14/92/23/467149223.db2.gz LFDBWKSZETWJFI-GOSISDBHSA-N 1 2 332.444 2.441 20 10 EECDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000377834393 467149227 /nfs/dbraw/zinc/14/92/27/467149227.db2.gz LFDBWKSZETWJFI-GOSISDBHSA-N 1 2 332.444 2.441 20 10 EECDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1F ZINC000768131873 577550795 /nfs/dbraw/zinc/55/07/95/577550795.db2.gz AWSXTUGEYGSKPH-UHFFFAOYSA-N 1 2 342.418 2.245 20 10 EECDLO CCOc1cccc(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000769466050 577578464 /nfs/dbraw/zinc/57/84/64/577578464.db2.gz HBTNNGXXCJUDQI-HNNXBMFYSA-N 1 2 337.416 2.333 20 10 EECDLO CCOc1cccc(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000769466050 577578465 /nfs/dbraw/zinc/57/84/65/577578465.db2.gz HBTNNGXXCJUDQI-HNNXBMFYSA-N 1 2 337.416 2.333 20 10 EECDLO C[C@H]1CC[N@H+](Cc2cccc(Br)c2O)CC[S@@]1=O ZINC000763493860 577721963 /nfs/dbraw/zinc/72/19/63/577721963.db2.gz SFFORFITQOLGTA-YPMLDQLKSA-N 1 2 332.263 2.498 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)CC[S@@]1=O ZINC000763493860 577721964 /nfs/dbraw/zinc/72/19/64/577721964.db2.gz SFFORFITQOLGTA-YPMLDQLKSA-N 1 2 332.263 2.498 20 10 EECDLO C[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1cc[nH+]c1 ZINC000752802935 577776394 /nfs/dbraw/zinc/77/63/94/577776394.db2.gz AFGGMWASIASCMC-INIZCTEOSA-N 1 2 342.443 2.329 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)[C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000749956261 577984799 /nfs/dbraw/zinc/98/47/99/577984799.db2.gz YODCPXWPJAGPTP-CQSZACIVSA-N 1 2 342.443 2.317 20 10 EECDLO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1 ZINC000877775832 1200093315 /nfs/dbraw/zinc/09/33/15/1200093315.db2.gz RFJFYSWKRIMXSN-OAHLLOKOSA-N 1 2 346.349 2.434 20 10 EECDLO CCOc1ccc(O)c(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1 ZINC000877775832 1200093322 /nfs/dbraw/zinc/09/33/22/1200093322.db2.gz RFJFYSWKRIMXSN-OAHLLOKOSA-N 1 2 346.349 2.434 20 10 EECDLO COc1ccc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)nc1 ZINC000879463249 1201081478 /nfs/dbraw/zinc/08/14/78/1201081478.db2.gz RZLYFWSYUPCIOY-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO Cc1cc(C(=O)C[N@@H+](C)CC(C)(CO)CO)c(C)n1-c1ccccc1 ZINC000135920675 1202413461 /nfs/dbraw/zinc/41/34/61/1202413461.db2.gz MGEIYJHSEKNSMB-UHFFFAOYSA-N 1 2 344.455 2.200 20 10 EECDLO Cc1cc(C(=O)C[N@H+](C)CC(C)(CO)CO)c(C)n1-c1ccccc1 ZINC000135920675 1202413462 /nfs/dbraw/zinc/41/34/62/1202413462.db2.gz MGEIYJHSEKNSMB-UHFFFAOYSA-N 1 2 344.455 2.200 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC2)cc1 ZINC000042290059 1208304558 /nfs/dbraw/zinc/30/45/58/1208304558.db2.gz DIRMETOUAIXVOR-MRXNPFEDSA-N 1 2 333.476 2.368 20 10 EECDLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)Nc2nnco2)ccc1N(C)C ZINC001276928993 1300314005 /nfs/dbraw/zinc/31/40/05/1300314005.db2.gz HQHFDMHWUZBFAN-KBXCAEBGSA-N 1 2 341.415 2.047 20 10 EECDLO Cc1cc(C[N@H+]2CC[C@H]3C[C@]32C(=O)Nc2nnco2)ccc1N(C)C ZINC001276928993 1300314017 /nfs/dbraw/zinc/31/40/17/1300314017.db2.gz HQHFDMHWUZBFAN-KBXCAEBGSA-N 1 2 341.415 2.047 20 10 EECDLO c1cc2c(cc1N1C[C@@H]3COC[C@H](C1)[N@@H+]3C1CCCC1)OCCO2 ZINC001277013750 1300865903 /nfs/dbraw/zinc/86/59/03/1300865903.db2.gz GLYMIKSUIPDUOO-CALCHBBNSA-N 1 2 330.428 2.290 20 10 EECDLO c1cc2c(cc1N1C[C@@H]3COC[C@H](C1)[N@H+]3C1CCCC1)OCCO2 ZINC001277013750 1300865918 /nfs/dbraw/zinc/86/59/18/1300865918.db2.gz GLYMIKSUIPDUOO-CALCHBBNSA-N 1 2 330.428 2.290 20 10 EECDLO CCn1cc2c(n1)C[N@@H+](Cc1cc(OC)c(O)cc1O)C[C@@H]2COC ZINC001231632730 1303870722 /nfs/dbraw/zinc/87/07/22/1303870722.db2.gz BOZIAHHBPOIYHK-CYBMUJFWSA-N 1 2 347.415 2.069 20 10 EECDLO CCn1cc2c(n1)C[N@H+](Cc1cc(OC)c(O)cc1O)C[C@@H]2COC ZINC001231632730 1303870727 /nfs/dbraw/zinc/87/07/27/1303870727.db2.gz BOZIAHHBPOIYHK-CYBMUJFWSA-N 1 2 347.415 2.069 20 10 EECDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1)c1cccnc1 ZINC001233336763 1304436794 /nfs/dbraw/zinc/43/67/94/1304436794.db2.gz ZCRNMLWLTBLUDN-UHFFFAOYSA-N 1 2 347.365 2.460 20 10 EECDLO C[N@@H+]1CC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234746249 1305017619 /nfs/dbraw/zinc/01/76/19/1305017619.db2.gz HUUXAVNQSJHVAF-JTQLQIEISA-N 1 2 343.335 2.146 20 10 EECDLO C[N@H+]1CC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234746249 1305017623 /nfs/dbraw/zinc/01/76/23/1305017623.db2.gz HUUXAVNQSJHVAF-JTQLQIEISA-N 1 2 343.335 2.146 20 10 EECDLO Oc1c(Cl)cc(F)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001237812423 1306107428 /nfs/dbraw/zinc/10/74/28/1306107428.db2.gz FZBKSRPKWFBQHC-CQSZACIVSA-N 1 2 328.815 2.481 20 10 EECDLO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc(O)c1O ZINC001204351469 1322125258 /nfs/dbraw/zinc/12/52/58/1322125258.db2.gz RVULJXJQJKLDJE-OAHLLOKOSA-N 1 2 342.386 2.412 20 10 EECDLO CCn1ccnc1CN1CCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001276538592 1324007291 /nfs/dbraw/zinc/00/72/91/1324007291.db2.gz WWKKSMKBSDXFSO-UHFFFAOYSA-N 1 2 330.407 2.208 20 10 EECDLO CCOc1ccc(N2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC001324299045 1333652574 /nfs/dbraw/zinc/65/25/74/1333652574.db2.gz RWAFEMOTBMAYHQ-KRWDZBQOSA-N 1 2 345.487 2.466 20 10 EECDLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1cc(F)cc(F)c1O ZINC001589967876 1349084203 /nfs/dbraw/zinc/08/42/03/1349084203.db2.gz NFXSWPJECVYQMU-QMMMGPOBSA-N 1 2 332.314 2.096 20 10 EECDLO CN1C[C@H]([N@H+](C)Cc2cccc(Br)c2O)CCC1=O ZINC000862428976 1369535399 /nfs/dbraw/zinc/53/53/99/1369535399.db2.gz YVFUVDFSZAQIKE-LLVKDONJSA-N 1 2 327.222 2.207 20 10 EECDLO CN1C[C@H]([N@@H+](C)Cc2cccc(Br)c2O)CCC1=O ZINC000862428976 1369535402 /nfs/dbraw/zinc/53/54/02/1369535402.db2.gz YVFUVDFSZAQIKE-LLVKDONJSA-N 1 2 327.222 2.207 20 10 EECDLO CCN(CC)c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC001140850800 1372695628 /nfs/dbraw/zinc/69/56/28/1372695628.db2.gz UWCYIRNZLYGXHM-SFHVURJKSA-N 1 2 333.476 2.145 20 10 EECDLO CCn1ncc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000838906378 1372872413 /nfs/dbraw/zinc/87/24/13/1372872413.db2.gz LQXZHHXPORPLBN-OKILXGFUSA-N 1 2 347.438 2.341 20 10 EECDLO COCC[N@@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC000893996073 780373315 /nfs/dbraw/zinc/37/33/15/780373315.db2.gz SBTOQWKUQWLRNG-UHFFFAOYSA-N 1 2 338.629 2.249 20 10 EECDLO COCC[N@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC000893996073 780373309 /nfs/dbraw/zinc/37/33/09/780373309.db2.gz SBTOQWKUQWLRNG-UHFFFAOYSA-N 1 2 338.629 2.249 20 10 EECDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nnnn1-c1ccccc1 ZINC000816542115 784108953 /nfs/dbraw/zinc/10/89/53/784108953.db2.gz DFOGFAPCOFESAT-UHFFFAOYSA-N 1 2 333.754 2.450 20 10 EECDLO Cn1ncc(Br)c1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516966 786880465 /nfs/dbraw/zinc/88/04/65/786880465.db2.gz LZNKZKVUBPXENX-UHFFFAOYSA-N 1 2 332.148 2.456 20 10 EECDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000825279434 788548678 /nfs/dbraw/zinc/54/86/78/788548678.db2.gz PWCZZDHMQXIYMK-NSHDSACASA-N 1 2 329.803 2.420 20 10 EECDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000825279434 788548691 /nfs/dbraw/zinc/54/86/91/788548691.db2.gz PWCZZDHMQXIYMK-NSHDSACASA-N 1 2 329.803 2.420 20 10 EECDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(Br)c1O ZINC000787423334 807109842 /nfs/dbraw/zinc/10/98/42/807109842.db2.gz KBTHXNROJJUHIZ-NDMJEZRESA-N 1 2 339.233 2.241 20 10 EECDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cccc(Br)c1O ZINC000787423334 807109846 /nfs/dbraw/zinc/10/98/46/807109846.db2.gz KBTHXNROJJUHIZ-NDMJEZRESA-N 1 2 339.233 2.241 20 10 EECDLO COc1ccc(N2CCC(NC(=O)CCc3c[nH+]cn3C)CC2)cc1 ZINC000789973080 808332221 /nfs/dbraw/zinc/33/22/21/808332221.db2.gz BQLASUIGSRBIDE-UHFFFAOYSA-N 1 2 342.443 2.147 20 10 EECDLO CCNc1nc(N(C)Cc2ccccc2O)nc(NC(C)(C)C)[nH+]1 ZINC000804577686 810947386 /nfs/dbraw/zinc/94/73/86/810947386.db2.gz IEXALYMZQSXRQB-UHFFFAOYSA-N 1 2 330.436 2.278 20 10 EECDLO C[C@H]([C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCOCC1 ZINC000105302448 237091465 /nfs/dbraw/zinc/09/14/65/237091465.db2.gz HLFQWCFTFFWNQY-JKSUJKDBSA-N 1 2 348.491 2.003 20 10 EECDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000276516409 464962937 /nfs/dbraw/zinc/96/29/37/464962937.db2.gz UNGKDCHJOUNCLK-HNNXBMFYSA-N 1 2 345.395 2.283 20 10 EECDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3cc(C)no3)CC2)cc1 ZINC000053774233 463188628 /nfs/dbraw/zinc/18/86/28/463188628.db2.gz IBFGBNSWFUQGPE-UHFFFAOYSA-N 1 2 344.415 2.142 20 10 EECDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3cc(C)no3)CC2)cc1 ZINC000053774233 463188636 /nfs/dbraw/zinc/18/86/36/463188636.db2.gz IBFGBNSWFUQGPE-UHFFFAOYSA-N 1 2 344.415 2.142 20 10 EECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000069633265 463292593 /nfs/dbraw/zinc/29/25/93/463292593.db2.gz TYVFZJOGRAOLGX-CQSZACIVSA-N 1 2 327.432 2.153 20 10 EECDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cccc(O)c3O)c2)CC1 ZINC000187016628 464089726 /nfs/dbraw/zinc/08/97/26/464089726.db2.gz ILSDTEILSKEUQL-UHFFFAOYSA-N 1 2 341.411 2.098 20 10 EECDLO COC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180327010 464287621 /nfs/dbraw/zinc/28/76/21/464287621.db2.gz QEZDLWIUUBJBSL-CYBMUJFWSA-N 1 2 330.222 2.310 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180327010 464287624 /nfs/dbraw/zinc/28/76/24/464287624.db2.gz QEZDLWIUUBJBSL-CYBMUJFWSA-N 1 2 330.222 2.310 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000529666456 467892107 /nfs/dbraw/zinc/89/21/07/467892107.db2.gz LLQOSUXWIFJCPO-ZDUSSCGKSA-N 1 2 330.222 2.392 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000529666456 467892110 /nfs/dbraw/zinc/89/21/10/467892110.db2.gz LLQOSUXWIFJCPO-ZDUSSCGKSA-N 1 2 330.222 2.392 20 10 EECDLO CC(=O)c1cc(C[N@H+]2CC[C@@H](C)C2)c([O-])c(C[NH+]2CCOCC2)c1 ZINC000725777939 576022225 /nfs/dbraw/zinc/02/22/25/576022225.db2.gz JJIGPCBGHFAINB-CQSZACIVSA-N 1 2 332.444 2.269 20 10 EECDLO CC(=O)c1cc(C[N@@H+]2CC[C@@H](C)C2)c([O-])c(C[NH+]2CCOCC2)c1 ZINC000725777939 576022227 /nfs/dbraw/zinc/02/22/27/576022227.db2.gz JJIGPCBGHFAINB-CQSZACIVSA-N 1 2 332.444 2.269 20 10 EECDLO CC(=O)N1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000768138592 577550980 /nfs/dbraw/zinc/55/09/80/577550980.db2.gz ZZVNMMRXGAMZDH-UHFFFAOYSA-N 1 2 346.431 2.249 20 10 EECDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000755105166 577819687 /nfs/dbraw/zinc/81/96/87/577819687.db2.gz UUJLWVUXDCAKJB-KRWDZBQOSA-N 1 2 346.519 2.126 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=S)NC[C@H]3CCOC3)CC2)cc1 ZINC000749687576 577979967 /nfs/dbraw/zinc/97/99/67/577979967.db2.gz PMBFKQCDNQSIBD-CQSZACIVSA-N 1 2 349.500 2.165 20 10 EECDLO C[NH+](C)C[C@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1 ZINC000737366701 578253050 /nfs/dbraw/zinc/25/30/50/578253050.db2.gz WLXUUQRSLQMRJF-AWEZNQCLSA-N 1 2 344.411 2.006 20 10 EECDLO C[NH+](C)C[C@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1 ZINC000737366701 578253051 /nfs/dbraw/zinc/25/30/51/578253051.db2.gz WLXUUQRSLQMRJF-AWEZNQCLSA-N 1 2 344.411 2.006 20 10 EECDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2cccc(Cl)c2O)[nH]n1 ZINC000890761237 675596606 /nfs/dbraw/zinc/59/66/06/675596606.db2.gz NRKFSQZLEPFSQV-AWEZNQCLSA-N 1 2 334.807 2.465 20 10 EECDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2cccc(Cl)c2O)[nH]n1 ZINC000890761237 675596610 /nfs/dbraw/zinc/59/66/10/675596610.db2.gz NRKFSQZLEPFSQV-AWEZNQCLSA-N 1 2 334.807 2.465 20 10 EECDLO CC(C)N1CC[NH+](CCC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890761411 675597998 /nfs/dbraw/zinc/59/79/98/675597998.db2.gz QVEPETCLKMARRN-UHFFFAOYSA-N 1 2 339.867 2.078 20 10 EECDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000895325820 684495658 /nfs/dbraw/zinc/49/56/58/684495658.db2.gz UHYWWHRWYSMCIV-LLVKDONJSA-N 1 2 347.640 2.422 20 10 EECDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001269917867 1184714914 /nfs/dbraw/zinc/71/49/14/1184714914.db2.gz PIFHFGZHXBHYDH-UHFFFAOYSA-N 1 2 345.443 2.364 20 10 EECDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001269917867 1184714921 /nfs/dbraw/zinc/71/49/21/1184714921.db2.gz PIFHFGZHXBHYDH-UHFFFAOYSA-N 1 2 345.443 2.364 20 10 EECDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001269918079 1184719556 /nfs/dbraw/zinc/71/95/56/1184719556.db2.gz SXNXGXFDZWLQMP-LJQANCHMSA-N 1 2 345.443 2.364 20 10 EECDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001269918079 1184719561 /nfs/dbraw/zinc/71/95/61/1184719561.db2.gz SXNXGXFDZWLQMP-LJQANCHMSA-N 1 2 345.443 2.364 20 10 EECDLO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Br)cc(Cl)c1O ZINC000866420996 1201514128 /nfs/dbraw/zinc/51/41/28/1201514128.db2.gz ULVDOMBZDBSTRS-PFZYVWIYSA-N 1 2 336.613 2.218 20 10 EECDLO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000827852637 1248830569 /nfs/dbraw/zinc/83/05/69/1248830569.db2.gz YSZWECNKXKMAMA-PWSUYJOCSA-N 1 2 346.349 2.290 20 10 EECDLO COc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000827852637 1248830583 /nfs/dbraw/zinc/83/05/83/1248830583.db2.gz YSZWECNKXKMAMA-PWSUYJOCSA-N 1 2 346.349 2.290 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC000802660485 1237943278 /nfs/dbraw/zinc/94/32/78/1237943278.db2.gz MTOHBHGFCCODCE-CYBMUJFWSA-N 1 2 334.185 2.070 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2CC[C@](F)(CO)C2)c1O ZINC000802660485 1237943288 /nfs/dbraw/zinc/94/32/88/1237943288.db2.gz MTOHBHGFCCODCE-CYBMUJFWSA-N 1 2 334.185 2.070 20 10 EECDLO Oc1c(Cl)cccc1CN1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001276380235 1249759774 /nfs/dbraw/zinc/75/97/74/1249759774.db2.gz LFJBNXRBNDUNKT-UHFFFAOYSA-N 1 2 332.835 2.477 20 10 EECDLO Oc1c(Cl)cccc1CN1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001276380235 1249759783 /nfs/dbraw/zinc/75/97/83/1249759783.db2.gz LFJBNXRBNDUNKT-UHFFFAOYSA-N 1 2 332.835 2.477 20 10 EECDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236572 1282394884 /nfs/dbraw/zinc/39/48/84/1282394884.db2.gz IDRHVRHKEPIHIA-UHFFFAOYSA-N 1 2 341.820 2.446 20 10 EECDLO Oc1ccc(-c2nc(-c3ccncc3)no2)cc1C[NH+]1CCOCC1 ZINC001217056968 1297353438 /nfs/dbraw/zinc/35/34/38/1297353438.db2.gz YLZUZXNUFVKCNU-UHFFFAOYSA-N 1 2 338.367 2.336 20 10 EECDLO Oc1cc(Cl)c(F)cc1CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222691765 1299794538 /nfs/dbraw/zinc/79/45/38/1299794538.db2.gz LDHODBKXSZRGNX-INIZCTEOSA-N 1 2 327.831 2.102 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2CCC3(C2)OCCO3)c1O ZINC001231553352 1303843134 /nfs/dbraw/zinc/84/31/34/1303843134.db2.gz VDKIAQTUEAPYRH-UHFFFAOYSA-N 1 2 344.205 2.112 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2CCC3(C2)OCCO3)c1O ZINC001231553352 1303843135 /nfs/dbraw/zinc/84/31/35/1303843135.db2.gz VDKIAQTUEAPYRH-UHFFFAOYSA-N 1 2 344.205 2.112 20 10 EECDLO COC(=O)c1c(C[N@@H+]2CCc3c(cnn3C)C2)c2ccccc2n1C ZINC001232403643 1304108748 /nfs/dbraw/zinc/10/87/48/1304108748.db2.gz AJXGOJHTXHULEW-UHFFFAOYSA-N 1 2 338.411 2.257 20 10 EECDLO COC(=O)c1c(C[N@H+]2CCc3c(cnn3C)C2)c2ccccc2n1C ZINC001232403643 1304108751 /nfs/dbraw/zinc/10/87/51/1304108751.db2.gz AJXGOJHTXHULEW-UHFFFAOYSA-N 1 2 338.411 2.257 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1F ZINC001237203720 1305846882 /nfs/dbraw/zinc/84/68/82/1305846882.db2.gz VUBCKPZFEASMDT-RHSMWYFYSA-N 1 2 340.464 2.101 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1F ZINC001237203720 1305846894 /nfs/dbraw/zinc/84/68/94/1305846894.db2.gz VUBCKPZFEASMDT-RHSMWYFYSA-N 1 2 340.464 2.101 20 10 EECDLO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237948864 1306156938 /nfs/dbraw/zinc/15/69/38/1306156938.db2.gz IIGXUCYXEQFYOZ-LBPRGKRZSA-N 1 2 344.814 2.302 20 10 EECDLO CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237948864 1306156945 /nfs/dbraw/zinc/15/69/45/1306156945.db2.gz IIGXUCYXEQFYOZ-LBPRGKRZSA-N 1 2 344.814 2.302 20 10 EECDLO CCOC(=O)Cn1ccc2c1ncnc2-c1c[nH+]c(N(C)C)cc1C ZINC001241235267 1309460417 /nfs/dbraw/zinc/46/04/17/1309460417.db2.gz LKAXYEARMMMCSA-UHFFFAOYSA-N 1 2 339.399 2.431 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ncccc3OC)CC2)c(OC)c1 ZINC001206665653 1319074869 /nfs/dbraw/zinc/07/48/69/1319074869.db2.gz HREPIQYTUHYAAB-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1cc(Cl)ccc1O ZINC001203658065 1321934193 /nfs/dbraw/zinc/93/41/93/1321934193.db2.gz QORNMLAZQNKWTB-UHFFFAOYSA-N 1 2 343.807 2.364 20 10 EECDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1cc(Cl)ccc1O ZINC001203658065 1321934195 /nfs/dbraw/zinc/93/41/95/1321934195.db2.gz QORNMLAZQNKWTB-UHFFFAOYSA-N 1 2 343.807 2.364 20 10 EECDLO COc1cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc(O)c1O ZINC001204344854 1322119932 /nfs/dbraw/zinc/11/99/32/1322119932.db2.gz JSRIFJHOJKEVTN-AWEZNQCLSA-N 1 2 334.416 2.083 20 10 EECDLO COc1cc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc(O)c1O ZINC001204344854 1322119941 /nfs/dbraw/zinc/11/99/41/1322119941.db2.gz JSRIFJHOJKEVTN-AWEZNQCLSA-N 1 2 334.416 2.083 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)cc1 ZINC001346698869 1337489251 /nfs/dbraw/zinc/48/92/51/1337489251.db2.gz ALYFLXFOPCATHQ-UHFFFAOYSA-N 1 2 342.443 2.100 20 10 EECDLO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589551614 1349003696 /nfs/dbraw/zinc/00/36/96/1349003696.db2.gz ATICVAGSBWASFG-STQMWFEESA-N 1 2 333.436 2.268 20 10 EECDLO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589951357 1349075158 /nfs/dbraw/zinc/07/51/58/1349075158.db2.gz CIZBJVLCTSMFHT-ZEQHWRKHSA-N 1 2 329.404 2.036 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001138390319 1372388890 /nfs/dbraw/zinc/38/88/90/1372388890.db2.gz RAKKZNSIZFVOTP-INIZCTEOSA-N 1 2 340.489 2.160 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001138390319 1372388897 /nfs/dbraw/zinc/38/88/97/1372388897.db2.gz RAKKZNSIZFVOTP-INIZCTEOSA-N 1 2 340.489 2.160 20 10 EECDLO CN(C)c1cc(NCc2ccc(N3CCC(CO)CC3)cc2)[nH+]cn1 ZINC001355214491 1373150071 /nfs/dbraw/zinc/15/00/71/1373150071.db2.gz MZMIBQTZZVFCTB-UHFFFAOYSA-N 1 2 341.459 2.363 20 10 EECDLO CN(C)c1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc[nH+]1 ZINC001355214491 1373150080 /nfs/dbraw/zinc/15/00/80/1373150080.db2.gz MZMIBQTZZVFCTB-UHFFFAOYSA-N 1 2 341.459 2.363 20 10 EECDLO O=C1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)CN1C1CC1 ZINC000846075227 790041472 /nfs/dbraw/zinc/04/14/72/790041472.db2.gz MQWNDBMPVIHWKL-JTQLQIEISA-N 1 2 339.233 2.255 20 10 EECDLO O=C(CCC[NH2+]Cc1cc(Br)cc(F)c1O)NC1CC1 ZINC000715830004 795537494 /nfs/dbraw/zinc/53/74/94/795537494.db2.gz VNIPHVXRZOXHTL-UHFFFAOYSA-N 1 2 345.212 2.442 20 10 EECDLO CN1CC[NH+](Cc2ccc(NC(=O)c3cccc(O)c3O)cc2)CC1 ZINC000790542231 808810455 /nfs/dbraw/zinc/81/04/55/808810455.db2.gz NNHNTQUHYIODSQ-UHFFFAOYSA-N 1 2 341.411 2.098 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1OC ZINC000160360127 463331850 /nfs/dbraw/zinc/33/18/50/463331850.db2.gz FKYNNHAIXYWSRL-LLVKDONJSA-N 1 2 348.365 2.478 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000171226782 463819147 /nfs/dbraw/zinc/81/91/47/463819147.db2.gz NUJSKYLYXMIEFI-UHFFFAOYSA-N 1 2 348.491 2.005 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000171226782 463819154 /nfs/dbraw/zinc/81/91/54/463819154.db2.gz NUJSKYLYXMIEFI-UHFFFAOYSA-N 1 2 348.491 2.005 20 10 EECDLO CC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000171964280 463958852 /nfs/dbraw/zinc/95/88/52/463958852.db2.gz IQMLPWYKSLGSKH-YJBOKZPZSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000171964280 463958857 /nfs/dbraw/zinc/95/88/57/463958857.db2.gz IQMLPWYKSLGSKH-YJBOKZPZSA-N 1 2 333.476 2.210 20 10 EECDLO CC(C)OCc1nc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)no1 ZINC000290872563 464135094 /nfs/dbraw/zinc/13/50/94/464135094.db2.gz KHPNWFKIZOJWDG-JTQLQIEISA-N 1 2 335.360 2.280 20 10 EECDLO O=C(CN1CC[NH+](Cc2cc(F)ccc2O)CC1)Nc1ccccc1 ZINC000179903818 464206876 /nfs/dbraw/zinc/20/68/76/464206876.db2.gz JJAMMFXKDNNHHL-UHFFFAOYSA-N 1 2 343.402 2.288 20 10 EECDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000292737989 464324979 /nfs/dbraw/zinc/32/49/79/464324979.db2.gz HCFNGRMIHGTFCJ-JTQLQIEISA-N 1 2 348.262 2.021 20 10 EECDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000292737989 464324985 /nfs/dbraw/zinc/32/49/85/464324985.db2.gz HCFNGRMIHGTFCJ-JTQLQIEISA-N 1 2 348.262 2.021 20 10 EECDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000274131335 464735714 /nfs/dbraw/zinc/73/57/14/464735714.db2.gz PBOXERCMOOALJE-GFCCVEGCSA-N 1 2 348.262 2.164 20 10 EECDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000274131335 464735721 /nfs/dbraw/zinc/73/57/21/464735721.db2.gz PBOXERCMOOALJE-GFCCVEGCSA-N 1 2 348.262 2.164 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000184693842 465019449 /nfs/dbraw/zinc/01/94/49/465019449.db2.gz NOJDMICLFUMIFU-JTQLQIEISA-N 1 2 347.864 2.452 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000184693842 465019452 /nfs/dbraw/zinc/01/94/52/465019452.db2.gz NOJDMICLFUMIFU-JTQLQIEISA-N 1 2 347.864 2.452 20 10 EECDLO c1csc(SCCCNc2cc(N3CCOCC3)nc[nH+]2)n1 ZINC000302897087 466208760 /nfs/dbraw/zinc/20/87/60/466208760.db2.gz PHXRYCGNOULOJX-UHFFFAOYSA-N 1 2 337.474 2.364 20 10 EECDLO c1csc(SCCCNc2cc(N3CCOCC3)[nH+]cn2)n1 ZINC000302897087 466208770 /nfs/dbraw/zinc/20/87/70/466208770.db2.gz PHXRYCGNOULOJX-UHFFFAOYSA-N 1 2 337.474 2.364 20 10 EECDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768204020 577552057 /nfs/dbraw/zinc/55/20/57/577552057.db2.gz OIDCWORMEKWCOH-UHFFFAOYSA-N 1 2 346.431 2.296 20 10 EECDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768204020 577552058 /nfs/dbraw/zinc/55/20/58/577552058.db2.gz OIDCWORMEKWCOH-UHFFFAOYSA-N 1 2 346.431 2.296 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000768927190 577565893 /nfs/dbraw/zinc/56/58/93/577565893.db2.gz RATBDSUQGVINHS-UHFFFAOYSA-N 1 2 338.423 2.436 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000768927190 577565894 /nfs/dbraw/zinc/56/58/94/577565894.db2.gz RATBDSUQGVINHS-UHFFFAOYSA-N 1 2 338.423 2.436 20 10 EECDLO COc1cccc(O)c1C[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000769473139 577578691 /nfs/dbraw/zinc/57/86/91/577578691.db2.gz LJAJWJLZVKMOSF-UHFFFAOYSA-N 1 2 335.425 2.436 20 10 EECDLO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000769473139 577578692 /nfs/dbraw/zinc/57/86/92/577578692.db2.gz LJAJWJLZVKMOSF-UHFFFAOYSA-N 1 2 335.425 2.436 20 10 EECDLO Cc1cc(Br)cc(C[NH+]2CC(N3CCCC3=O)C2)c1O ZINC000897783388 691781742 /nfs/dbraw/zinc/78/17/42/691781742.db2.gz ACKKSSUAYGFLRH-UHFFFAOYSA-N 1 2 339.233 2.270 20 10 EECDLO O=C(c1cccc(O)c1O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001269608084 1184431105 /nfs/dbraw/zinc/43/11/05/1184431105.db2.gz SOWMCDVYCJZYDT-UHFFFAOYSA-N 1 2 344.333 2.341 20 10 EECDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001273157583 1197126337 /nfs/dbraw/zinc/12/63/37/1197126337.db2.gz QCCUAFGMHGKETM-LBPRGKRZSA-N 1 2 338.835 2.257 20 10 EECDLO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC(C)(C)OC1=O ZINC000814178752 1199328095 /nfs/dbraw/zinc/32/80/95/1199328095.db2.gz BWNIOWZAOWPXTH-INIZCTEOSA-N 1 2 336.407 2.188 20 10 EECDLO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC(C)(C)OC1=O ZINC000814178752 1199328101 /nfs/dbraw/zinc/32/81/01/1199328101.db2.gz BWNIOWZAOWPXTH-INIZCTEOSA-N 1 2 336.407 2.188 20 10 EECDLO CN(C)c1ccc(-c2nc(C(=O)N3[C@@H]4C[C@H]3C[N@@H+](C)C4)cs2)cc1 ZINC001274331116 1204998472 /nfs/dbraw/zinc/99/84/72/1204998472.db2.gz DPTDCABSOJXYDV-GASCZTMLSA-N 1 2 342.468 2.405 20 10 EECDLO CN(C)c1ccc(-c2nc(C(=O)N3[C@@H]4C[C@H]3C[N@H+](C)C4)cs2)cc1 ZINC001274331116 1204998475 /nfs/dbraw/zinc/99/84/75/1204998475.db2.gz DPTDCABSOJXYDV-GASCZTMLSA-N 1 2 342.468 2.405 20 10 EECDLO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837002 1205180093 /nfs/dbraw/zinc/18/00/93/1205180093.db2.gz RNEZMBVYFLOAOZ-GOSISDBHSA-N 1 2 334.416 2.026 20 10 EECDLO CC(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837002 1205180096 /nfs/dbraw/zinc/18/00/96/1205180096.db2.gz RNEZMBVYFLOAOZ-GOSISDBHSA-N 1 2 334.416 2.026 20 10 EECDLO Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275267632 1205294700 /nfs/dbraw/zinc/29/47/00/1205294700.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 1 2 340.471 2.433 20 10 EECDLO Oc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275267632 1205294702 /nfs/dbraw/zinc/29/47/02/1205294702.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 1 2 340.471 2.433 20 10 EECDLO Oc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275267632 1205294703 /nfs/dbraw/zinc/29/47/03/1205294703.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 1 2 340.471 2.433 20 10 EECDLO Cc1cc(CN2CCC3(C[NH+](Cc4c(O)cccc4F)C3)C2)n(C)n1 ZINC001276358853 1213931118 /nfs/dbraw/zinc/93/11/18/1213931118.db2.gz CBRPHQHYKHHFST-UHFFFAOYSA-N 1 2 344.434 2.281 20 10 EECDLO Cc1cc(C[N@@H+]2CCC3(CN(Cc4c(O)cccc4F)C3)C2)n(C)n1 ZINC001276358853 1213931128 /nfs/dbraw/zinc/93/11/28/1213931128.db2.gz CBRPHQHYKHHFST-UHFFFAOYSA-N 1 2 344.434 2.281 20 10 EECDLO Cc1cc(C[N@H+]2CCC3(CN(Cc4c(O)cccc4F)C3)C2)n(C)n1 ZINC001276358853 1213931134 /nfs/dbraw/zinc/93/11/34/1213931134.db2.gz CBRPHQHYKHHFST-UHFFFAOYSA-N 1 2 344.434 2.281 20 10 EECDLO COc1cnc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC001233079801 1304354130 /nfs/dbraw/zinc/35/41/30/1304354130.db2.gz KSJUMKSWPAHYNW-NSHDSACASA-N 1 2 337.326 2.122 20 10 EECDLO COc1cnc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC001233079801 1304354136 /nfs/dbraw/zinc/35/41/36/1304354136.db2.gz KSJUMKSWPAHYNW-NSHDSACASA-N 1 2 337.326 2.122 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccn3)C2)cc1OC ZINC001236751739 1305658056 /nfs/dbraw/zinc/65/80/56/1305658056.db2.gz ILKQFGRWVRTFLJ-SFHVURJKSA-N 1 2 330.384 2.378 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccn3)C2)cc1OC ZINC001236751739 1305658062 /nfs/dbraw/zinc/65/80/62/1305658062.db2.gz ILKQFGRWVRTFLJ-SFHVURJKSA-N 1 2 330.384 2.378 20 10 EECDLO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834899969 1314887564 /nfs/dbraw/zinc/88/75/64/1314887564.db2.gz LSUFJHBUMAKJCM-JGVFFNPUSA-N 1 2 333.201 2.469 20 10 EECDLO Cc1c(O)ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1O ZINC001140749376 1314955154 /nfs/dbraw/zinc/95/51/54/1314955154.db2.gz XJUIUJSMPXRGJD-QWHCGFSZSA-N 1 2 340.395 2.453 20 10 EECDLO Cc1c(O)ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1O ZINC001140749376 1314955158 /nfs/dbraw/zinc/95/51/58/1314955158.db2.gz XJUIUJSMPXRGJD-QWHCGFSZSA-N 1 2 340.395 2.453 20 10 EECDLO COc1ccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)c(O)c1 ZINC000840296546 1315346550 /nfs/dbraw/zinc/34/65/50/1315346550.db2.gz WZOVYNKTVSEGMO-TZMCWYRMSA-N 1 2 344.415 2.010 20 10 EECDLO COc1ccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)c(O)c1 ZINC000840296546 1315346553 /nfs/dbraw/zinc/34/65/53/1315346553.db2.gz WZOVYNKTVSEGMO-TZMCWYRMSA-N 1 2 344.415 2.010 20 10 EECDLO COc1c[nH+]c(NCCc2cc(O)c(O)cc2O)nc1NC(C)C ZINC001157239410 1318512831 /nfs/dbraw/zinc/51/28/31/1318512831.db2.gz AANMCVVJYHXCJF-UHFFFAOYSA-N 1 2 334.376 2.077 20 10 EECDLO [NH3+][C@H]1CN(Cc2cc(Br)c(F)cc2O)CCC1(F)F ZINC001206674672 1320455953 /nfs/dbraw/zinc/45/59/53/1320455953.db2.gz GDNILSKWZQBUQK-NSHDSACASA-N 1 2 339.155 2.462 20 10 EECDLO CC(C)n1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)n1 ZINC001603670842 1350739084 /nfs/dbraw/zinc/73/90/84/1350739084.db2.gz ONNNJKXPKAUTDC-NSHDSACASA-N 1 2 327.392 2.201 20 10 EECDLO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465687 1349341970 /nfs/dbraw/zinc/34/19/70/1349341970.db2.gz ICKSYQXIQXUFML-IUODEOHRSA-N 1 2 331.420 2.430 20 10 EECDLO COc1ccc(O)c(CNC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000114588532 1369419047 /nfs/dbraw/zinc/41/90/47/1369419047.db2.gz BKLDHPDCYSFADJ-UHFFFAOYSA-N 1 2 330.388 2.097 20 10 EECDLO Oc1cccc(F)c1C[N@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001137836280 1372281886 /nfs/dbraw/zinc/28/18/86/1372281886.db2.gz XSTYAYILKBKHJQ-AWEZNQCLSA-N 1 2 341.390 2.257 20 10 EECDLO Oc1cccc(F)c1C[N@@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001137836280 1372281891 /nfs/dbraw/zinc/28/18/91/1372281891.db2.gz XSTYAYILKBKHJQ-AWEZNQCLSA-N 1 2 341.390 2.257 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000830240003 1372321893 /nfs/dbraw/zinc/32/18/93/1372321893.db2.gz FFLSPIMEIAVVPF-LJQANCHMSA-N 1 2 345.487 2.212 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000830240003 1372321899 /nfs/dbraw/zinc/32/18/99/1372321899.db2.gz FFLSPIMEIAVVPF-LJQANCHMSA-N 1 2 345.487 2.212 20 10 EECDLO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Br)cc(Cl)c1O ZINC000834897575 1372573690 /nfs/dbraw/zinc/57/36/90/1372573690.db2.gz ULVDOMBZDBSTRS-MQOMDTIOSA-N 1 2 336.613 2.218 20 10 EECDLO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CO)C2)c(O)c1 ZINC001140948676 1372724988 /nfs/dbraw/zinc/72/49/88/1372724988.db2.gz VGYMAUCOWNJPGK-IBGZPJMESA-N 1 2 326.440 2.379 20 10 EECDLO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CO)C2)c(O)c1 ZINC001140948676 1372724990 /nfs/dbraw/zinc/72/49/90/1372724990.db2.gz VGYMAUCOWNJPGK-IBGZPJMESA-N 1 2 326.440 2.379 20 10 EECDLO CCCC[C@@H]1NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000068239777 774323052 /nfs/dbraw/zinc/32/30/52/774323052.db2.gz KDKBUZDWJUGLLG-INIZCTEOSA-N 1 2 332.448 2.253 20 10 EECDLO CCCC[C@@H]1NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000068239777 774323060 /nfs/dbraw/zinc/32/30/60/774323060.db2.gz KDKBUZDWJUGLLG-INIZCTEOSA-N 1 2 332.448 2.253 20 10 EECDLO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894049742 780462319 /nfs/dbraw/zinc/46/23/19/780462319.db2.gz KTGXIFXSCNQCJT-CABCVRRESA-N 1 2 327.371 2.422 20 10 EECDLO COc1c(O)c(C[NH2+]Cc2nccc(C(F)F)n2)ccc1[N+](=O)[O-] ZINC000809783251 783387361 /nfs/dbraw/zinc/38/73/61/783387361.db2.gz WHVBUSGHZSNGKT-UHFFFAOYSA-N 1 2 340.286 2.326 20 10 EECDLO COc1ccc(N2CC[C@@H](CNC(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC000819582901 785594659 /nfs/dbraw/zinc/59/46/59/785594659.db2.gz REIBGLSUIVNNIE-INIZCTEOSA-N 1 2 342.443 2.315 20 10 EECDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(=O)N(C)C ZINC000708159043 786754136 /nfs/dbraw/zinc/75/41/36/786754136.db2.gz VARZDJOOZTVTFI-ZETCQYMHSA-N 1 2 335.629 2.374 20 10 EECDLO CC1(C)CN(CC[NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000171766564 791468059 /nfs/dbraw/zinc/46/80/59/791468059.db2.gz VRFMJTOKKZRYMB-UHFFFAOYSA-N 1 2 343.265 2.355 20 10 EECDLO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715737467 795491451 /nfs/dbraw/zinc/49/14/51/795491451.db2.gz JSLIHWRRMFRZJK-MRVPVSSYSA-N 1 2 333.201 2.108 20 10 EECDLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715737467 795491457 /nfs/dbraw/zinc/49/14/57/795491457.db2.gz JSLIHWRRMFRZJK-MRVPVSSYSA-N 1 2 333.201 2.108 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)Nc3ccc[nH]3)cc12 ZINC001184357571 801978985 /nfs/dbraw/zinc/97/89/85/801978985.db2.gz YSSPWPCSSYUCRB-UHFFFAOYSA-N 1 2 341.367 2.206 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)Nc3ccc[nH]3)cc12 ZINC001184357571 801978987 /nfs/dbraw/zinc/97/89/87/801978987.db2.gz YSSPWPCSSYUCRB-UHFFFAOYSA-N 1 2 341.367 2.206 20 10 EECDLO COc1c(O)c(C[NH+]2CC(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000297519641 465259985 /nfs/dbraw/zinc/25/99/85/465259985.db2.gz WPLSLUUFUDFQDC-UHFFFAOYSA-N 1 2 338.360 2.083 20 10 EECDLO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ncn(C)n2)c1O ZINC000187416559 464126640 /nfs/dbraw/zinc/12/66/40/464126640.db2.gz YUKZZCRWMZQMPL-SECBINFHSA-N 1 2 325.210 2.442 20 10 EECDLO CNC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280372182 464199361 /nfs/dbraw/zinc/19/93/61/464199361.db2.gz VLNJIGFDCCCORQ-UHFFFAOYSA-N 1 2 344.381 2.228 20 10 EECDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1F ZINC000271080046 464278978 /nfs/dbraw/zinc/27/89/78/464278978.db2.gz VDOQWORHTLKPHE-UHFFFAOYSA-N 1 2 342.418 2.245 20 10 EECDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183025169 464778984 /nfs/dbraw/zinc/77/89/84/464778984.db2.gz IAKIRMHVBDXTBK-AWEZNQCLSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183025169 464778990 /nfs/dbraw/zinc/77/89/90/464778990.db2.gz IAKIRMHVBDXTBK-AWEZNQCLSA-N 1 2 326.396 2.292 20 10 EECDLO CCN(CCOC)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726714063 576291204 /nfs/dbraw/zinc/29/12/04/576291204.db2.gz BSLGSJCUYMLUHE-UHFFFAOYSA-N 1 2 335.448 2.342 20 10 EECDLO COc1ccc2c(c1)CCCC[N@H+]2CCCS(=O)(=O)N(C)C ZINC000766267297 577516084 /nfs/dbraw/zinc/51/60/84/577516084.db2.gz BDXHARWHBUKQPU-UHFFFAOYSA-N 1 2 326.462 2.119 20 10 EECDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCS(=O)(=O)N(C)C ZINC000766267297 577516085 /nfs/dbraw/zinc/51/60/85/577516085.db2.gz BDXHARWHBUKQPU-UHFFFAOYSA-N 1 2 326.462 2.119 20 10 EECDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766934916 577527247 /nfs/dbraw/zinc/52/72/47/577527247.db2.gz PTWUHCRHCSXHAN-RDJZCZTQSA-N 1 2 333.476 2.210 20 10 EECDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766934916 577527248 /nfs/dbraw/zinc/52/72/48/577527248.db2.gz PTWUHCRHCSXHAN-RDJZCZTQSA-N 1 2 333.476 2.210 20 10 EECDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000768252516 577552805 /nfs/dbraw/zinc/55/28/05/577552805.db2.gz RUSTZEIDBQSCEO-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1O ZINC000756527836 577845862 /nfs/dbraw/zinc/84/58/62/577845862.db2.gz RHFVIASOWTUXHS-CBAPKCEASA-N 1 2 331.185 2.175 20 10 EECDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cc(Br)c(F)cc1O ZINC000756779884 577850166 /nfs/dbraw/zinc/85/01/66/577850166.db2.gz NLJBDSLCOBCEEG-ZETCQYMHSA-N 1 2 329.173 2.273 20 10 EECDLO COc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c(O)c1OC ZINC000892202436 678248403 /nfs/dbraw/zinc/24/84/03/678248403.db2.gz SISNJEOYLUZGOR-LLVKDONJSA-N 1 2 348.365 2.478 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046486334 683946532 /nfs/dbraw/zinc/94/65/32/683946532.db2.gz RVLIFRUWPGVWGN-INIZCTEOSA-N 1 2 348.491 2.005 20 10 EECDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CN(C)CCO1 ZINC000883051982 1202003642 /nfs/dbraw/zinc/00/36/42/1202003642.db2.gz VIWFBZMYLIGGJS-NOZJJQNGSA-N 1 2 347.228 2.103 20 10 EECDLO Cc1nonc1[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926560789 1206227531 /nfs/dbraw/zinc/22/75/31/1206227531.db2.gz WSVXZZUFOBYXTQ-JTQLQIEISA-N 1 2 338.358 2.344 20 10 EECDLO O=C(NCCCSc1nccs1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779632270 1210636220 /nfs/dbraw/zinc/63/62/20/1210636220.db2.gz ZGBCTAZJOVMNCF-NSHDSACASA-N 1 2 337.474 2.136 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CC(=O)NC[C@H]2c2ccccc2)c1O ZINC000902564877 1237916113 /nfs/dbraw/zinc/91/61/13/1237916113.db2.gz WXKLUXOQLPOROY-INIZCTEOSA-N 1 2 326.396 2.382 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CC(=O)NC[C@H]2c2ccccc2)c1O ZINC000902564877 1237916116 /nfs/dbraw/zinc/91/61/16/1237916116.db2.gz WXKLUXOQLPOROY-INIZCTEOSA-N 1 2 326.396 2.382 20 10 EECDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1)c1ccccn1 ZINC001233336676 1304436327 /nfs/dbraw/zinc/43/63/27/1304436327.db2.gz VMYRHHFBDCPMIR-UHFFFAOYSA-N 1 2 347.365 2.460 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1)c1cccnc1 ZINC001233336751 1304436816 /nfs/dbraw/zinc/43/68/16/1304436816.db2.gz YFPMWVXOSUAFHH-CYBMUJFWSA-N 1 2 347.365 2.460 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1)c1cccnc1 ZINC001233336751 1304436820 /nfs/dbraw/zinc/43/68/20/1304436820.db2.gz YFPMWVXOSUAFHH-CYBMUJFWSA-N 1 2 347.365 2.460 20 10 EECDLO COc1ccc(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)c(O)c1 ZINC000797637240 1304793901 /nfs/dbraw/zinc/79/39/01/1304793901.db2.gz IZNHOHVFMHYVIY-UHFFFAOYSA-N 1 2 330.388 2.492 20 10 EECDLO C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)c(Cl)cc1O ZINC001236799506 1305679314 /nfs/dbraw/zinc/67/93/14/1305679314.db2.gz OYFITGPVQSVDKW-UHFFFAOYSA-N 1 2 332.275 2.378 20 10 EECDLO C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)c(Cl)cc1O ZINC001236799506 1305679319 /nfs/dbraw/zinc/67/93/19/1305679319.db2.gz OYFITGPVQSVDKW-UHFFFAOYSA-N 1 2 332.275 2.378 20 10 EECDLO COc1cc(O)c(C[N@H+](C)C2CCS(=O)(=O)CC2)c(Cl)c1 ZINC001236801924 1305681157 /nfs/dbraw/zinc/68/11/57/1305681157.db2.gz FJYPNEWQOXXYMI-UHFFFAOYSA-N 1 2 333.837 2.063 20 10 EECDLO COc1cc(O)c(C[N@@H+](C)C2CCS(=O)(=O)CC2)c(Cl)c1 ZINC001236801924 1305681168 /nfs/dbraw/zinc/68/11/68/1305681168.db2.gz FJYPNEWQOXXYMI-UHFFFAOYSA-N 1 2 333.837 2.063 20 10 EECDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236820993 1305689667 /nfs/dbraw/zinc/68/96/67/1305689667.db2.gz PYSRTLNTXSBAKH-CQSZACIVSA-N 1 2 325.430 2.190 20 10 EECDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1c(C)cc(OC)cc1O ZINC001236820993 1305689672 /nfs/dbraw/zinc/68/96/72/1305689672.db2.gz PYSRTLNTXSBAKH-CQSZACIVSA-N 1 2 325.430 2.190 20 10 EECDLO CC(C)(O)CC[NH+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237804237 1306103086 /nfs/dbraw/zinc/10/30/86/1306103086.db2.gz ZIIGBDINFRIUNL-UHFFFAOYSA-N 1 2 330.831 2.463 20 10 EECDLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139133324 1314709159 /nfs/dbraw/zinc/70/91/59/1314709159.db2.gz GZEBPSQLQHYRKV-AWEZNQCLSA-N 1 2 344.411 2.250 20 10 EECDLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139133324 1314709162 /nfs/dbraw/zinc/70/91/62/1314709162.db2.gz GZEBPSQLQHYRKV-AWEZNQCLSA-N 1 2 344.411 2.250 20 10 EECDLO Cc1c(O)ccc(C[N@@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001140742741 1314953484 /nfs/dbraw/zinc/95/34/84/1314953484.db2.gz XJUIUJSMPXRGJD-STQMWFEESA-N 1 2 340.395 2.453 20 10 EECDLO Cc1c(O)ccc(C[N@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001140742741 1314953489 /nfs/dbraw/zinc/95/34/89/1314953489.db2.gz XJUIUJSMPXRGJD-STQMWFEESA-N 1 2 340.395 2.453 20 10 EECDLO Nc1ccc(CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000841676902 1315594233 /nfs/dbraw/zinc/59/42/33/1315594233.db2.gz PUHNQAMGPMKMRC-UHFFFAOYSA-N 1 2 339.443 2.306 20 10 EECDLO CCn1c[nH+]cc1CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000841841608 1315621187 /nfs/dbraw/zinc/62/11/87/1315621187.db2.gz ZKMHKQDNZVARQJ-UHFFFAOYSA-N 1 2 337.807 2.437 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204339867 1322115760 /nfs/dbraw/zinc/11/57/60/1322115760.db2.gz WXIASBNRWZKQHW-UHFFFAOYSA-N 1 2 344.205 2.158 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCc3c([nH]nc3C(N)=O)C2)c2ccccc21 ZINC001279836792 1324008792 /nfs/dbraw/zinc/00/87/92/1324008792.db2.gz IMFKJIVSQFWYAQ-UHFFFAOYSA-N 1 2 349.438 2.286 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCc3c([nH]nc3C(N)=O)C2)c2ccccc21 ZINC001279836792 1324008797 /nfs/dbraw/zinc/00/87/97/1324008797.db2.gz IMFKJIVSQFWYAQ-UHFFFAOYSA-N 1 2 349.438 2.286 20 10 EECDLO CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)[C@@H]1CCCOC1 ZINC001590462989 1349339103 /nfs/dbraw/zinc/33/91/03/1349339103.db2.gz WKNZPILNIUYCJK-ZOWXZIJZSA-N 1 2 331.420 2.428 20 10 EECDLO C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1cccc(-c2nn[nH]n2)c1O ZINC001603676297 1350740197 /nfs/dbraw/zinc/74/01/97/1350740197.db2.gz CYTVEJIZALYXSW-ZLKJLUDKSA-N 1 2 331.420 2.163 20 10 EECDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894049744 780462477 /nfs/dbraw/zinc/46/24/77/780462477.db2.gz KTGXIFXSCNQCJT-HUUCEWRRSA-N 1 2 327.371 2.422 20 10 EECDLO CSCC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)N(C)C ZINC000809785173 783386900 /nfs/dbraw/zinc/38/69/00/783386900.db2.gz RXCCYJPSTZAOEE-LBPRGKRZSA-N 1 2 334.844 2.484 20 10 EECDLO Oc1c(Br)cc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000708087383 786738232 /nfs/dbraw/zinc/73/82/32/786738232.db2.gz BHKPSCYPGMPFIZ-AOOOYVTPSA-N 1 2 331.641 2.459 20 10 EECDLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000824976419 788384377 /nfs/dbraw/zinc/38/43/77/788384377.db2.gz AYYJETANEMFBRW-OAHLLOKOSA-N 1 2 329.849 2.446 20 10 EECDLO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000824976419 788384385 /nfs/dbraw/zinc/38/43/85/788384385.db2.gz AYYJETANEMFBRW-OAHLLOKOSA-N 1 2 329.849 2.446 20 10 EECDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844386691 789055937 /nfs/dbraw/zinc/05/59/37/789055937.db2.gz JMLUXGOJUSEMMH-AEFFLSMTSA-N 1 2 333.476 2.258 20 10 EECDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844386691 789055951 /nfs/dbraw/zinc/05/59/51/789055951.db2.gz JMLUXGOJUSEMMH-AEFFLSMTSA-N 1 2 333.476 2.258 20 10 EECDLO COc1cc(C(=O)NC2C[NH+](Cc3ccccc3C)C2)cc(OC)n1 ZINC001030611942 791277130 /nfs/dbraw/zinc/27/71/30/791277130.db2.gz ARDCUOOVNJWMTC-UHFFFAOYSA-N 1 2 341.411 2.021 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000790429932 808700435 /nfs/dbraw/zinc/70/04/35/808700435.db2.gz GYLVQLNCEHTKKN-SFHVURJKSA-N 1 2 347.503 2.458 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000790429932 808700442 /nfs/dbraw/zinc/70/04/42/808700442.db2.gz GYLVQLNCEHTKKN-SFHVURJKSA-N 1 2 347.503 2.458 20 10 EECDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000492537789 281639366 /nfs/dbraw/zinc/63/93/66/281639366.db2.gz RMXFLMQBHPILAB-BQYQJAHWSA-N 1 2 326.400 2.408 20 10 EECDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120611611 463018609 /nfs/dbraw/zinc/01/86/09/463018609.db2.gz PRZSLCSWBZZAJX-UHFFFAOYSA-N 1 2 339.443 2.491 20 10 EECDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H](C)[S@]1=O ZINC000289254242 464071721 /nfs/dbraw/zinc/07/17/21/464071721.db2.gz FGRQOFGPFFRZNI-WBLQJCTDSA-N 1 2 327.446 2.141 20 10 EECDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@H](C)[S@]1=O ZINC000289254242 464071725 /nfs/dbraw/zinc/07/17/25/464071725.db2.gz FGRQOFGPFFRZNI-WBLQJCTDSA-N 1 2 327.446 2.141 20 10 EECDLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000289774667 464093821 /nfs/dbraw/zinc/09/38/21/464093821.db2.gz RKINQFHLEBNCHE-SMDDNHRTSA-N 1 2 346.880 2.243 20 10 EECDLO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187874288 464170013 /nfs/dbraw/zinc/17/00/13/464170013.db2.gz CBPMAOMAWJOIMY-FZMZJTMJSA-N 1 2 344.402 2.498 20 10 EECDLO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366743873 465911883 /nfs/dbraw/zinc/91/18/83/465911883.db2.gz KJLHEGAHUIQECX-ZDUSSCGKSA-N 1 2 326.400 2.321 20 10 EECDLO COc1cc(Br)cc(CN2CCn3c[nH+]cc3C2)c1O ZINC000368219231 466589125 /nfs/dbraw/zinc/58/91/25/466589125.db2.gz AQUGGLZHHUWAJU-UHFFFAOYSA-N 1 2 338.205 2.376 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368621789 466689217 /nfs/dbraw/zinc/68/92/17/466689217.db2.gz KHGQALXUNRZFAL-STQMWFEESA-N 1 2 343.807 2.207 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368621789 466689223 /nfs/dbraw/zinc/68/92/23/466689223.db2.gz KHGQALXUNRZFAL-STQMWFEESA-N 1 2 343.807 2.207 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377695782 467118886 /nfs/dbraw/zinc/11/88/86/467118886.db2.gz MTTKNUTXPKSKGS-KBPBESRZSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377695782 467118889 /nfs/dbraw/zinc/11/88/89/467118889.db2.gz MTTKNUTXPKSKGS-KBPBESRZSA-N 1 2 327.808 2.434 20 10 EECDLO CCC(CC)[C@@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCOCC1 ZINC000731867721 577130912 /nfs/dbraw/zinc/13/09/12/577130912.db2.gz RFPJWBIEBZIREG-CQSZACIVSA-N 1 2 326.462 2.321 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NC[C@@](C)(O)C3CC3)CC2)cc1 ZINC000732701860 577189095 /nfs/dbraw/zinc/18/90/95/577189095.db2.gz QEOKZLHEFVSVEY-LJQANCHMSA-N 1 2 347.459 2.124 20 10 EECDLO C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000773316556 577332724 /nfs/dbraw/zinc/33/27/24/577332724.db2.gz WDESJWKXJXWKER-PMPSAXMXSA-N 1 2 348.491 2.222 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765641982 577504352 /nfs/dbraw/zinc/50/43/52/577504352.db2.gz QXARIWQJQMROHN-UHFFFAOYSA-N 1 2 347.459 2.179 20 10 EECDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769482388 577578898 /nfs/dbraw/zinc/57/88/98/577578898.db2.gz ZWKNJBCGBDWURD-XMMPIXPASA-N 1 2 349.544 2.173 20 10 EECDLO C[S@@](=O)CCN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769482388 577578899 /nfs/dbraw/zinc/57/88/99/577578899.db2.gz ZWKNJBCGBDWURD-XMMPIXPASA-N 1 2 349.544 2.173 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+](C)CC(=O)NCc2ccco2)c1O ZINC000750816921 577743190 /nfs/dbraw/zinc/74/31/90/577743190.db2.gz CSNZARLRSROADO-UHFFFAOYSA-N 1 2 334.347 2.075 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(=O)NCc2ccco2)c1O ZINC000750816921 577743191 /nfs/dbraw/zinc/74/31/91/577743191.db2.gz CSNZARLRSROADO-UHFFFAOYSA-N 1 2 334.347 2.075 20 10 EECDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC000894842068 683179111 /nfs/dbraw/zinc/17/91/11/683179111.db2.gz PHJJIYXDVOQIKG-IAZYJMLFSA-N 1 2 344.180 2.145 20 10 EECDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC000894842068 683179112 /nfs/dbraw/zinc/17/91/12/683179112.db2.gz PHJJIYXDVOQIKG-IAZYJMLFSA-N 1 2 344.180 2.145 20 10 EECDLO O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001272617429 1190932630 /nfs/dbraw/zinc/93/26/30/1190932630.db2.gz XICAIKNOYHJBSQ-INIZCTEOSA-N 1 2 346.324 2.360 20 10 EECDLO O=C1N(CC(F)F)CC[C@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001272617429 1190932632 /nfs/dbraw/zinc/93/26/32/1190932632.db2.gz XICAIKNOYHJBSQ-INIZCTEOSA-N 1 2 346.324 2.360 20 10 EECDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@H](C(N)=O)C1 ZINC000825567261 1198247602 /nfs/dbraw/zinc/24/76/02/1198247602.db2.gz GXOIVXQYBXUPPA-CABZTGNLSA-N 1 2 327.222 2.241 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@H](C(N)=O)C1 ZINC000825567261 1198247606 /nfs/dbraw/zinc/24/76/06/1198247606.db2.gz GXOIVXQYBXUPPA-CABZTGNLSA-N 1 2 327.222 2.241 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000883016082 1201996816 /nfs/dbraw/zinc/99/68/16/1201996816.db2.gz NFZRXZPSHHPNMV-CYBMUJFWSA-N 1 2 348.212 2.171 20 10 EECDLO CCc1nncn1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883023740 1201998129 /nfs/dbraw/zinc/99/81/29/1201998129.db2.gz CMOYZEJQFJVVGF-UHFFFAOYSA-N 1 2 343.200 2.238 20 10 EECDLO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000886221473 1202481788 /nfs/dbraw/zinc/48/17/88/1202481788.db2.gz ZVYNMWYNIUVKIO-NWDGAFQWSA-N 1 2 348.212 2.313 20 10 EECDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc(O)c1O ZINC000192990106 1210679810 /nfs/dbraw/zinc/67/98/10/1210679810.db2.gz NRERVGFJLADKSJ-UHFFFAOYSA-N 1 2 328.368 2.182 20 10 EECDLO CCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000802656284 1237932703 /nfs/dbraw/zinc/93/27/03/1237932703.db2.gz NCSIKXMWHSWIHQ-LBPRGKRZSA-N 1 2 328.771 2.154 20 10 EECDLO CCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000802656284 1237932712 /nfs/dbraw/zinc/93/27/12/1237932712.db2.gz NCSIKXMWHSWIHQ-LBPRGKRZSA-N 1 2 328.771 2.154 20 10 EECDLO Oc1cccc(Br)c1CNCCC[NH+]1CCC(O)CC1 ZINC000858106947 1294008279 /nfs/dbraw/zinc/00/82/79/1294008279.db2.gz UQBAXZLXDGQOHJ-UHFFFAOYSA-N 1 2 343.265 2.091 20 10 EECDLO COc1cc(O)c(CN2CCC[C@@]3(C2)C[N@H+](C)CCO3)c(Cl)c1 ZINC001276805792 1298052036 /nfs/dbraw/zinc/05/20/36/1298052036.db2.gz MDKNPNBTWHHRQM-KRWDZBQOSA-N 1 2 340.851 2.351 20 10 EECDLO COc1cc(O)c(CN2CCC[C@@]3(C2)C[N@@H+](C)CCO3)c(Cl)c1 ZINC001276805792 1298052049 /nfs/dbraw/zinc/05/20/49/1298052049.db2.gz MDKNPNBTWHHRQM-KRWDZBQOSA-N 1 2 340.851 2.351 20 10 EECDLO COc1ccc(N2CC3(CC[N@@H+]3Cc3cccc(=O)[nH]3)C2)cc1F ZINC001277009989 1300797510 /nfs/dbraw/zinc/79/75/10/1300797510.db2.gz PZNREGGOVVFHDL-UHFFFAOYSA-N 1 2 329.375 2.400 20 10 EECDLO COc1ccc(N2CC3(CC[N@H+]3Cc3cccc(=O)[nH]3)C2)cc1F ZINC001277009989 1300797520 /nfs/dbraw/zinc/79/75/20/1300797520.db2.gz PZNREGGOVVFHDL-UHFFFAOYSA-N 1 2 329.375 2.400 20 10 EECDLO CCN(C(=O)[C@@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1)C(C)C ZINC001277440817 1303026505 /nfs/dbraw/zinc/02/65/05/1303026505.db2.gz FSPDAPLKPTVPEI-KRWDZBQOSA-N 1 2 332.444 2.383 20 10 EECDLO O=C([C@@H]1CC12C[NH+](Cc1c(O)cccc1F)C2)N1CC(F)(C2CC2)C1 ZINC001277492971 1303666268 /nfs/dbraw/zinc/66/62/68/1303666268.db2.gz HDURJXHUCNWYSK-AWEZNQCLSA-N 1 2 348.393 2.314 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000781895263 1303891192 /nfs/dbraw/zinc/89/11/92/1303891192.db2.gz RCWNESKSRYSUQA-LBPRGKRZSA-N 1 2 327.222 2.303 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000781895263 1303891200 /nfs/dbraw/zinc/89/12/00/1303891200.db2.gz RCWNESKSRYSUQA-LBPRGKRZSA-N 1 2 327.222 2.303 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC001231911367 1303943996 /nfs/dbraw/zinc/94/39/96/1303943996.db2.gz BGHDDYBNWFMQHP-LBPRGKRZSA-N 1 2 325.792 2.390 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC001231911367 1303943998 /nfs/dbraw/zinc/94/39/98/1303943998.db2.gz BGHDDYBNWFMQHP-LBPRGKRZSA-N 1 2 325.792 2.390 20 10 EECDLO Oc1cc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc(O)c1O ZINC001233010295 1304326348 /nfs/dbraw/zinc/32/63/48/1304326348.db2.gz NXONEDPRTUPMLA-WCQYABFASA-N 1 2 339.285 2.031 20 10 EECDLO Oc1cc(C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc(O)c1O ZINC001233010295 1304326353 /nfs/dbraw/zinc/32/63/53/1304326353.db2.gz NXONEDPRTUPMLA-WCQYABFASA-N 1 2 339.285 2.031 20 10 EECDLO C[C@@H](C[NH+](C)C)Oc1cc(O)cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748293 1305018733 /nfs/dbraw/zinc/01/87/33/1305018733.db2.gz IICPKNGMWDZTFH-VIFPVBQESA-N 1 2 345.351 2.392 20 10 EECDLO COc1ccc(C[N@H+](C)C2CCS(=O)(=O)CC2)c(O)c1Cl ZINC001236807892 1305683382 /nfs/dbraw/zinc/68/33/82/1305683382.db2.gz WAROKTDUMMPXLQ-UHFFFAOYSA-N 1 2 333.837 2.063 20 10 EECDLO COc1ccc(C[N@@H+](C)C2CCS(=O)(=O)CC2)c(O)c1Cl ZINC001236807892 1305683394 /nfs/dbraw/zinc/68/33/94/1305683394.db2.gz WAROKTDUMMPXLQ-UHFFFAOYSA-N 1 2 333.837 2.063 20 10 EECDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237125870 1305806551 /nfs/dbraw/zinc/80/65/51/1305806551.db2.gz QQMCRWAMQVJNDP-NSHDSACASA-N 1 2 332.322 2.391 20 10 EECDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237125870 1305806565 /nfs/dbraw/zinc/80/65/65/1305806565.db2.gz QQMCRWAMQVJNDP-NSHDSACASA-N 1 2 332.322 2.391 20 10 EECDLO CCOC(=O)c1cc2n(n1)CCC[N@H+](Cc1cccc(F)c1O)C2 ZINC001138123958 1314548818 /nfs/dbraw/zinc/54/88/18/1314548818.db2.gz TUMLLBTYYDMOGM-UHFFFAOYSA-N 1 2 333.363 2.310 20 10 EECDLO CCOC(=O)c1cc2n(n1)CCC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138123958 1314548819 /nfs/dbraw/zinc/54/88/19/1314548819.db2.gz TUMLLBTYYDMOGM-UHFFFAOYSA-N 1 2 333.363 2.310 20 10 EECDLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140345624 1314874344 /nfs/dbraw/zinc/87/43/44/1314874344.db2.gz WZPOPOQMDHDBRM-KRWDZBQOSA-N 1 2 338.835 2.259 20 10 EECDLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140345624 1314874348 /nfs/dbraw/zinc/87/43/48/1314874348.db2.gz WZPOPOQMDHDBRM-KRWDZBQOSA-N 1 2 338.835 2.259 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1cc(C)ccc1O ZINC001140619420 1314915686 /nfs/dbraw/zinc/91/56/86/1314915686.db2.gz CRQJSYGFCRTULY-KRWDZBQOSA-N 1 2 342.443 2.448 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140619420 1314915687 /nfs/dbraw/zinc/91/56/87/1314915687.db2.gz CRQJSYGFCRTULY-KRWDZBQOSA-N 1 2 342.443 2.448 20 10 EECDLO C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000841958539 1315644403 /nfs/dbraw/zinc/64/44/03/1315644403.db2.gz GGDWCZYEBSEXOL-RHSMWYFYSA-N 1 2 327.432 2.301 20 10 EECDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252170 1317035334 /nfs/dbraw/zinc/03/53/34/1317035334.db2.gz HLMTVYAYECJTQV-AWEZNQCLSA-N 1 2 347.411 2.340 20 10 EECDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252170 1317035345 /nfs/dbraw/zinc/03/53/45/1317035345.db2.gz HLMTVYAYECJTQV-AWEZNQCLSA-N 1 2 347.411 2.340 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)cc1 ZINC001256346731 1318717787 /nfs/dbraw/zinc/71/77/87/1318717787.db2.gz KTYSHMYVECRREA-UHFFFAOYSA-N 1 2 342.443 2.100 20 10 EECDLO CCOc1cccc(C[N@H+]2Cc3nnn(CC)c3[C@@H](COC)C2)c1O ZINC001203603620 1321921076 /nfs/dbraw/zinc/92/10/76/1321921076.db2.gz UIJVHTIGZLDMQM-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO CCOc1cccc(C[N@@H+]2Cc3nnn(CC)c3[C@@H](COC)C2)c1O ZINC001203603620 1321921079 /nfs/dbraw/zinc/92/10/79/1321921079.db2.gz UIJVHTIGZLDMQM-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO Oc1ccc(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cc1O ZINC001203877720 1321980676 /nfs/dbraw/zinc/98/06/76/1321980676.db2.gz HTLUGNUFNBBVRV-INIZCTEOSA-N 1 2 343.427 2.353 20 10 EECDLO Oc1ccc(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cc1O ZINC001203877720 1321980680 /nfs/dbraw/zinc/98/06/80/1321980680.db2.gz HTLUGNUFNBBVRV-INIZCTEOSA-N 1 2 343.427 2.353 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Cc3nn[nH]n3)CC2)c1O ZINC001308047702 1331560195 /nfs/dbraw/zinc/56/01/95/1331560195.db2.gz GIMXCHJSULTXPI-UHFFFAOYSA-N 1 2 349.822 2.216 20 10 EECDLO C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)N1CCCCC1 ZINC001589959153 1349080589 /nfs/dbraw/zinc/08/05/89/1349080589.db2.gz NQXLHSUVODZKAF-OLZOCXBDSA-N 1 2 330.436 2.097 20 10 EECDLO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001140337887 1372564738 /nfs/dbraw/zinc/56/47/38/1372564738.db2.gz LMIYBQWABCDWDH-GFCCVEGCSA-N 1 2 325.714 2.171 20 10 EECDLO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001140337887 1372564740 /nfs/dbraw/zinc/56/47/40/1372564740.db2.gz LMIYBQWABCDWDH-GFCCVEGCSA-N 1 2 325.714 2.171 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)COC(C)C)CC2)c(C)c(C)[nH+]1 ZINC001089809825 776023916 /nfs/dbraw/zinc/02/39/16/776023916.db2.gz AIAVEWQAZYWLMA-UHFFFAOYSA-N 1 2 346.475 2.470 20 10 EECDLO CCOCCC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089813253 776281272 /nfs/dbraw/zinc/28/12/72/776281272.db2.gz NPDCIAAWLKYLJX-UHFFFAOYSA-N 1 2 346.475 2.471 20 10 EECDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2cccc(O)c2O)CC1 ZINC001148214090 792247232 /nfs/dbraw/zinc/24/72/32/792247232.db2.gz OGCIVGPBVWVGKY-UHFFFAOYSA-N 1 2 327.384 2.180 20 10 EECDLO CN(C)C(=O)CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715712038 795483317 /nfs/dbraw/zinc/48/33/17/795483317.db2.gz IDTOONVUTUYOLT-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)COCC(F)(F)F)CC2)cc1 ZINC000069513506 463263480 /nfs/dbraw/zinc/26/34/80/463263480.db2.gz SANSZUPATAFAAM-UHFFFAOYSA-N 1 2 346.349 2.359 20 10 EECDLO CCCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OC ZINC000278547011 463969751 /nfs/dbraw/zinc/96/97/51/463969751.db2.gz YJACLHHUOFCAJI-NSHDSACASA-N 1 2 326.349 2.130 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000180437789 464311096 /nfs/dbraw/zinc/31/10/96/464311096.db2.gz TVUQYIKOFOYUHA-UHFFFAOYSA-N 1 2 344.386 2.384 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000180437789 464311099 /nfs/dbraw/zinc/31/10/99/464311099.db2.gz TVUQYIKOFOYUHA-UHFFFAOYSA-N 1 2 344.386 2.384 20 10 EECDLO Cc1[nH]c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c[nH+]1 ZINC000264762355 464454434 /nfs/dbraw/zinc/45/44/34/464454434.db2.gz UKUZFBRABOSEJK-VXGBXAGGSA-N 1 2 346.406 2.401 20 10 EECDLO Oc1ccccc1C[N@@H+](Cc1ncnn1CCF)C[C@H]1CCCO1 ZINC000281763518 464577480 /nfs/dbraw/zinc/57/74/80/464577480.db2.gz YZGOUQPSUZVBPT-OAHLLOKOSA-N 1 2 334.395 2.134 20 10 EECDLO Oc1cc2c(cc1C[NH2+]Cc1ncc(C(F)(F)F)cn1)OCO2 ZINC000294706870 464581608 /nfs/dbraw/zinc/58/16/08/464581608.db2.gz BQNDMYWAOMNYFR-UHFFFAOYSA-N 1 2 327.262 2.220 20 10 EECDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265964146 464751470 /nfs/dbraw/zinc/75/14/70/464751470.db2.gz YUERDPBMYFJGJN-HNNXBMFYSA-N 1 2 325.416 2.147 20 10 EECDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccccc1O ZINC000299547993 465794786 /nfs/dbraw/zinc/79/47/86/465794786.db2.gz WTAKVDJRHDNCKG-UHFFFAOYSA-N 1 2 326.400 2.387 20 10 EECDLO Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338268444 465966190 /nfs/dbraw/zinc/96/61/90/465966190.db2.gz WJJCBPAIVMXESD-UHFFFAOYSA-N 1 2 329.444 2.214 20 10 EECDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000370697152 466969130 /nfs/dbraw/zinc/96/91/30/466969130.db2.gz JRQNJRKFXGXLAK-ZDUSSCGKSA-N 1 2 338.360 2.227 20 10 EECDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000370697152 466969136 /nfs/dbraw/zinc/96/91/36/466969136.db2.gz JRQNJRKFXGXLAK-ZDUSSCGKSA-N 1 2 338.360 2.227 20 10 EECDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cc(Br)ccc1O ZINC000093054402 527757015 /nfs/dbraw/zinc/75/70/15/527757015.db2.gz CWILYXPOLQMDGO-ZDUSSCGKSA-N 1 2 327.222 2.111 20 10 EECDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000093054402 527757021 /nfs/dbraw/zinc/75/70/21/527757021.db2.gz CWILYXPOLQMDGO-ZDUSSCGKSA-N 1 2 327.222 2.111 20 10 EECDLO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1 ZINC000773831965 577366770 /nfs/dbraw/zinc/36/67/70/577366770.db2.gz MATKOTUUGABWER-NVXWUHKLSA-N 1 2 348.443 2.069 20 10 EECDLO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1 ZINC000773831965 577366771 /nfs/dbraw/zinc/36/67/71/577366771.db2.gz MATKOTUUGABWER-NVXWUHKLSA-N 1 2 348.443 2.069 20 10 EECDLO Oc1c(F)cc(Cl)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000775647201 577441731 /nfs/dbraw/zinc/44/17/31/577441731.db2.gz RLAXHHMLLYJDAC-CQSZACIVSA-N 1 2 328.815 2.481 20 10 EECDLO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777551530 577481264 /nfs/dbraw/zinc/48/12/64/577481264.db2.gz KIDAATOPIVPVEQ-INIZCTEOSA-N 1 2 337.427 2.074 20 10 EECDLO COCCS(=O)(=O)CCC[N@@H+]1CCCCc2cc(OC)ccc21 ZINC000766268749 577516170 /nfs/dbraw/zinc/51/61/70/577516170.db2.gz FQDZRMYPHJDTBJ-UHFFFAOYSA-N 1 2 341.473 2.289 20 10 EECDLO COCCS(=O)(=O)CCC[N@H+]1CCCCc2cc(OC)ccc21 ZINC000766268749 577516171 /nfs/dbraw/zinc/51/61/71/577516171.db2.gz FQDZRMYPHJDTBJ-UHFFFAOYSA-N 1 2 341.473 2.289 20 10 EECDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000751953836 577763147 /nfs/dbraw/zinc/76/31/47/577763147.db2.gz JVLFXICLHUZOLY-AWEZNQCLSA-N 1 2 337.416 2.159 20 10 EECDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000751953836 577763148 /nfs/dbraw/zinc/76/31/48/577763148.db2.gz JVLFXICLHUZOLY-AWEZNQCLSA-N 1 2 337.416 2.159 20 10 EECDLO CCn1cc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)cn1 ZINC000877708566 1200046618 /nfs/dbraw/zinc/04/66/18/1200046618.db2.gz OWYRCVINONMFNY-UHFFFAOYSA-N 1 2 330.432 2.242 20 10 EECDLO COc1cccc(O)c1C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000877775768 1200090097 /nfs/dbraw/zinc/09/00/97/1200090097.db2.gz PHQOCWYOSDIIAC-CQSZACIVSA-N 1 2 332.322 2.044 20 10 EECDLO COc1cccc(O)c1C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000877775768 1200090103 /nfs/dbraw/zinc/09/01/03/1200090103.db2.gz PHQOCWYOSDIIAC-CQSZACIVSA-N 1 2 332.322 2.044 20 10 EECDLO COCCOCCN1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000826142353 1201386550 /nfs/dbraw/zinc/38/65/50/1201386550.db2.gz AEMQMSQZFJNFDT-UHFFFAOYSA-N 1 2 342.867 2.135 20 10 EECDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275905726 1205580120 /nfs/dbraw/zinc/58/01/20/1205580120.db2.gz KZPWZFHXDZCMGQ-CALCHBBNSA-N 1 2 343.402 2.277 20 10 EECDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275905726 1205580121 /nfs/dbraw/zinc/58/01/21/1205580121.db2.gz KZPWZFHXDZCMGQ-CALCHBBNSA-N 1 2 343.402 2.277 20 10 EECDLO Cc1cc(C(=O)C[N@H+](C)CCOCCO)c(C)n1-c1ccccc1 ZINC000800508471 1234232961 /nfs/dbraw/zinc/23/29/61/1234232961.db2.gz WCPAJCVKYMMYMQ-UHFFFAOYSA-N 1 2 330.428 2.218 20 10 EECDLO Cc1cc(C(=O)C[N@@H+](C)CCOCCO)c(C)n1-c1ccccc1 ZINC000800508471 1234232966 /nfs/dbraw/zinc/23/29/66/1234232966.db2.gz WCPAJCVKYMMYMQ-UHFFFAOYSA-N 1 2 330.428 2.218 20 10 EECDLO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(F)cc(F)c1O ZINC000903371829 1240332702 /nfs/dbraw/zinc/33/27/02/1240332702.db2.gz FOSLHGDHYMWLTG-NSHDSACASA-N 1 2 343.370 2.369 20 10 EECDLO C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)n1cc[nH+]c1 ZINC000856209405 1293445591 /nfs/dbraw/zinc/44/55/91/1293445591.db2.gz LRBDMVPLQWGEIC-OAHLLOKOSA-N 1 2 342.443 2.112 20 10 EECDLO Oc1cccc(Br)c1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000862333397 1295796386 /nfs/dbraw/zinc/79/63/86/1295796386.db2.gz OCYGACFIUZXFIL-AWEZNQCLSA-N 1 2 328.206 2.146 20 10 EECDLO Oc1cccc(Br)c1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000862333397 1295796395 /nfs/dbraw/zinc/79/63/95/1295796395.db2.gz OCYGACFIUZXFIL-AWEZNQCLSA-N 1 2 328.206 2.146 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC001231554551 1303843485 /nfs/dbraw/zinc/84/34/85/1303843485.db2.gz XOQYHYKGZWAIKI-NSHDSACASA-N 1 2 343.221 2.003 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2CCCC[C@H]2C(N)=O)c1O ZINC001231554551 1303843489 /nfs/dbraw/zinc/84/34/89/1303843489.db2.gz XOQYHYKGZWAIKI-NSHDSACASA-N 1 2 343.221 2.003 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1cccc(C)c1O ZINC001231592482 1303859565 /nfs/dbraw/zinc/85/95/65/1303859565.db2.gz RPONGFKOTVNAGY-KRWDZBQOSA-N 1 2 342.443 2.448 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1cccc(C)c1O ZINC001231592482 1303859569 /nfs/dbraw/zinc/85/95/69/1303859569.db2.gz RPONGFKOTVNAGY-KRWDZBQOSA-N 1 2 342.443 2.448 20 10 EECDLO C[NH+]1CC2(C1)CCN(Cc1c(O)cc(Br)cc1F)C2 ZINC001233029706 1304334389 /nfs/dbraw/zinc/33/43/89/1304334389.db2.gz HHCOEOZDABKMLY-UHFFFAOYSA-N 1 2 329.213 2.431 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)cc1Br ZINC001233134815 1304372258 /nfs/dbraw/zinc/37/22/58/1304372258.db2.gz FETFWVZLXMHGER-MWLCHTKSSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)cc1Br ZINC001233134815 1304372262 /nfs/dbraw/zinc/37/22/62/1304372262.db2.gz FETFWVZLXMHGER-MWLCHTKSSA-N 1 2 348.212 2.316 20 10 EECDLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233418900 1304462291 /nfs/dbraw/zinc/46/22/91/1304462291.db2.gz AWOMQQCMBTYFOD-CYBMUJFWSA-N 1 2 341.333 2.374 20 10 EECDLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233418900 1304462294 /nfs/dbraw/zinc/46/22/94/1304462294.db2.gz AWOMQQCMBTYFOD-CYBMUJFWSA-N 1 2 341.333 2.374 20 10 EECDLO O=C1NCC[C@]12CC[N@@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235294087 1305180925 /nfs/dbraw/zinc/18/09/25/1305180925.db2.gz MVDKWOMHGMCILL-CQSZACIVSA-N 1 2 343.196 2.006 20 10 EECDLO O=C1NCC[C@]12CC[N@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235294087 1305180929 /nfs/dbraw/zinc/18/09/29/1305180929.db2.gz MVDKWOMHGMCILL-CQSZACIVSA-N 1 2 343.196 2.006 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC001236802383 1305681720 /nfs/dbraw/zinc/68/17/20/1305681720.db2.gz JDWUOMIACDRWQH-UHFFFAOYSA-N 1 2 334.807 2.166 20 10 EECDLO Clc1cc(N2CCOCC2)ccc1CN1CCn2c[nH+]cc2C1 ZINC001236920723 1305728495 /nfs/dbraw/zinc/72/84/95/1305728495.db2.gz VRPJQQDSMZATJP-UHFFFAOYSA-N 1 2 332.835 2.389 20 10 EECDLO CCOc1ccc(C[N@H+]2Cc3nnn(CC)c3[C@H](COC)C2)c(O)c1 ZINC001237042919 1305776589 /nfs/dbraw/zinc/77/65/89/1305776589.db2.gz MLDJXVHTWVJDDT-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO CCOc1ccc(C[N@@H+]2Cc3nnn(CC)c3[C@H](COC)C2)c(O)c1 ZINC001237042919 1305776594 /nfs/dbraw/zinc/77/65/94/1305776594.db2.gz MLDJXVHTWVJDDT-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO COc1cc(O)c(CN2CCn3c[nH+]cc3C2)c(Br)c1 ZINC001237073921 1305788693 /nfs/dbraw/zinc/78/86/93/1305788693.db2.gz XKCCJPXWAZWGKW-UHFFFAOYSA-N 1 2 338.205 2.376 20 10 EECDLO COC(=O)CO[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237087008 1305792327 /nfs/dbraw/zinc/79/23/27/1305792327.db2.gz RPKRACWIBAQISV-VIFPVBQESA-N 1 2 334.199 2.463 20 10 EECDLO CN(C)C(=O)NC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237125253 1305805758 /nfs/dbraw/zinc/80/57/58/1305805758.db2.gz BMNMKCFXTRUWHT-UHFFFAOYSA-N 1 2 329.803 2.420 20 10 EECDLO COc1cc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c(O)c(OC)c1 ZINC001237679914 1306042312 /nfs/dbraw/zinc/04/23/12/1306042312.db2.gz GHKWBROTWKIYAO-UHFFFAOYSA-N 1 2 336.432 2.100 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[NH+](CC2CC2)CC1 ZINC001139127069 1314708355 /nfs/dbraw/zinc/70/83/55/1314708355.db2.gz DKBBGLYDWKYFRD-UHFFFAOYSA-N 1 2 328.412 2.335 20 10 EECDLO COc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(OC)n1 ZINC001139921391 1314785263 /nfs/dbraw/zinc/78/52/63/1314785263.db2.gz ATRCCWBPYKQTPM-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO COc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(OC)n1 ZINC001139921391 1314785268 /nfs/dbraw/zinc/78/52/68/1314785268.db2.gz ATRCCWBPYKQTPM-UHFFFAOYSA-N 1 2 330.384 2.458 20 10 EECDLO CCOC(=O)/C=C/c1ccc[nH+]c1NCCc1cc(O)c(O)cc1O ZINC001157240325 1318512388 /nfs/dbraw/zinc/51/23/88/1318512388.db2.gz WCUPQBOJRZQAPA-AATRIKPKSA-N 1 2 344.367 2.429 20 10 EECDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1ccc(OC)cc1O)CCC2 ZINC001203620376 1321924235 /nfs/dbraw/zinc/92/42/35/1321924235.db2.gz BRBIHVSVYRTPKA-UHFFFAOYSA-N 1 2 345.399 2.180 20 10 EECDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1ccc(OC)cc1O)CCC2 ZINC001203620376 1321924237 /nfs/dbraw/zinc/92/42/37/1321924237.db2.gz BRBIHVSVYRTPKA-UHFFFAOYSA-N 1 2 345.399 2.180 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(C)c21 ZINC001203931531 1321992768 /nfs/dbraw/zinc/99/27/68/1321992768.db2.gz IXYYSJXYKDSDEM-OAHLLOKOSA-N 1 2 329.448 2.017 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(C)c21 ZINC001203931531 1321992772 /nfs/dbraw/zinc/99/27/72/1321992772.db2.gz IXYYSJXYKDSDEM-OAHLLOKOSA-N 1 2 329.448 2.017 20 10 EECDLO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204348472 1322123428 /nfs/dbraw/zinc/12/34/28/1322123428.db2.gz NDWHUMDFKQHLJY-CQSZACIVSA-N 1 2 347.415 2.069 20 10 EECDLO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204348472 1322123437 /nfs/dbraw/zinc/12/34/37/1322123437.db2.gz NDWHUMDFKQHLJY-CQSZACIVSA-N 1 2 347.415 2.069 20 10 EECDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001276516583 1323905255 /nfs/dbraw/zinc/90/52/55/1323905255.db2.gz IPPQJGWDZZOPTR-BETUJISGSA-N 1 2 347.440 2.027 20 10 EECDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001276516583 1323905257 /nfs/dbraw/zinc/90/52/57/1323905257.db2.gz IPPQJGWDZZOPTR-BETUJISGSA-N 1 2 347.440 2.027 20 10 EECDLO O=C(Nc1cccnc1)N1CCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001276539417 1324010492 /nfs/dbraw/zinc/01/04/92/1324010492.db2.gz RWESJWWUGMNHGP-UHFFFAOYSA-N 1 2 342.374 2.419 20 10 EECDLO CC(C)c1nnc(CNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)[nH]1 ZINC001326446756 1334095592 /nfs/dbraw/zinc/09/55/92/1334095592.db2.gz PRRZSQFOOSNNPO-UHFFFAOYSA-N 1 2 346.454 2.109 20 10 EECDLO CC[C@@H]([NH2+]CCc1nccs1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465419 1349341634 /nfs/dbraw/zinc/34/16/34/1349341634.db2.gz FFJDKPFGBBATMZ-GFCCVEGCSA-N 1 2 330.417 2.312 20 10 EECDLO CC[C@@H]([NH2+]C[C@@]1(OC)CCSC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053740 1350840991 /nfs/dbraw/zinc/84/09/91/1350840991.db2.gz DSPWLOOPCLZQRF-CJNGLKHVSA-N 1 2 349.460 2.135 20 10 EECDLO CC[C@@H]([NH2+]CCC1(COC)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604054659 1350841071 /nfs/dbraw/zinc/84/10/71/1350841071.db2.gz ITJXLMNYVFJUSD-CQSZACIVSA-N 1 2 331.420 2.430 20 10 EECDLO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001605907953 1351251793 /nfs/dbraw/zinc/25/17/93/1351251793.db2.gz RYNRIUVHOUCOLD-WBMJQRKESA-N 1 2 339.399 2.265 20 10 EECDLO O=C(Cc1ccsc1)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137841613 1372282871 /nfs/dbraw/zinc/28/28/71/1372282871.db2.gz MOXLNDQRELWGGW-UHFFFAOYSA-N 1 2 334.416 2.480 20 10 EECDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138253902 1372372131 /nfs/dbraw/zinc/37/21/31/1372372131.db2.gz KDJFYKOKQXSUQE-SFHVURJKSA-N 1 2 339.443 2.361 20 10 EECDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138253902 1372372133 /nfs/dbraw/zinc/37/21/33/1372372133.db2.gz KDJFYKOKQXSUQE-SFHVURJKSA-N 1 2 339.443 2.361 20 10 EECDLO OC1CCN(c2ccc(C[NH+]3CC(N4CCC(F)CC4)C3)cc2)CC1 ZINC001140285743 1372556636 /nfs/dbraw/zinc/55/66/36/1372556636.db2.gz PQHXJVMMKYGSTH-UHFFFAOYSA-N 1 2 347.478 2.266 20 10 EECDLO CCCN1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C(C)(C)C1=O ZINC000893720286 779971776 /nfs/dbraw/zinc/97/17/76/779971776.db2.gz YLQHXUZQDWNXNR-UHFFFAOYSA-N 1 2 336.432 2.242 20 10 EECDLO CCCN1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C(C)(C)C1=O ZINC000893720286 779971789 /nfs/dbraw/zinc/97/17/89/779971789.db2.gz YLQHXUZQDWNXNR-UHFFFAOYSA-N 1 2 336.432 2.242 20 10 EECDLO O=C(C[NH2+]Cc1cc(Cl)cc(Br)c1O)NCC1CC1 ZINC000708171842 786764164 /nfs/dbraw/zinc/76/41/64/786764164.db2.gz OCRYIUZGWOTNNQ-UHFFFAOYSA-N 1 2 347.640 2.424 20 10 EECDLO O=C(NCCCSc1nccs1)NCCCn1cc[nH+]c1 ZINC000075108333 462676144 /nfs/dbraw/zinc/67/61/44/462676144.db2.gz LUJBYTFFHKBYAA-UHFFFAOYSA-N 1 2 325.463 2.211 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000154001335 462719381 /nfs/dbraw/zinc/71/93/81/462719381.db2.gz QZRMQPULZGJWQE-CQSZACIVSA-N 1 2 325.412 2.346 20 10 EECDLO CN(C)c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000171136493 463794625 /nfs/dbraw/zinc/79/46/25/463794625.db2.gz AOIGUPWBPBZALI-UHFFFAOYSA-N 1 2 327.432 2.496 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000278560084 463970953 /nfs/dbraw/zinc/97/09/53/463970953.db2.gz ASTBLLHCJYURAX-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000278560084 463970959 /nfs/dbraw/zinc/97/09/59/463970959.db2.gz ASTBLLHCJYURAX-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO O=C([C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O)N1CCOCC1 ZINC000180029474 464227471 /nfs/dbraw/zinc/22/74/71/464227471.db2.gz GUIFXEDQLFEAFS-HNNXBMFYSA-N 1 2 338.835 2.259 20 10 EECDLO O=C([C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O)N1CCOCC1 ZINC000180029474 464227476 /nfs/dbraw/zinc/22/74/76/464227476.db2.gz GUIFXEDQLFEAFS-HNNXBMFYSA-N 1 2 338.835 2.259 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)cc1F ZINC000188779570 464367643 /nfs/dbraw/zinc/36/76/43/464367643.db2.gz QCMMYCLLFPSUTM-DLBZAZTESA-N 1 2 338.423 2.170 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)cc1F ZINC000188779570 464367648 /nfs/dbraw/zinc/36/76/48/464367648.db2.gz QCMMYCLLFPSUTM-DLBZAZTESA-N 1 2 338.423 2.170 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)COc3cccnc3)CC2)cc1 ZINC000728077523 576470574 /nfs/dbraw/zinc/47/05/74/576470574.db2.gz KFTKQLCKJDMQBT-UHFFFAOYSA-N 1 2 341.411 2.254 20 10 EECDLO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775661199 577442073 /nfs/dbraw/zinc/44/20/73/577442073.db2.gz KMVJNJOPUFIJPO-AWEZNQCLSA-N 1 2 349.830 2.419 20 10 EECDLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775661199 577442074 /nfs/dbraw/zinc/44/20/74/577442074.db2.gz KMVJNJOPUFIJPO-AWEZNQCLSA-N 1 2 349.830 2.419 20 10 EECDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768466736 577556564 /nfs/dbraw/zinc/55/65/64/577556564.db2.gz VRVGRRFTSOPMHQ-WMZOPIPTSA-N 1 2 327.380 2.392 20 10 EECDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768466736 577556565 /nfs/dbraw/zinc/55/65/65/577556565.db2.gz VRVGRRFTSOPMHQ-WMZOPIPTSA-N 1 2 327.380 2.392 20 10 EECDLO CN(C)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1F ZINC000746864326 577935194 /nfs/dbraw/zinc/93/51/94/577935194.db2.gz BVGVOGKXTSMYKY-UHFFFAOYSA-N 1 2 339.374 2.402 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cccc1F ZINC001273265656 1197889975 /nfs/dbraw/zinc/88/99/75/1197889975.db2.gz IVQAIPMIFFXSNC-YJYMSZOUSA-N 1 2 348.418 2.466 20 10 EECDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1O ZINC001273304562 1198005170 /nfs/dbraw/zinc/00/51/70/1198005170.db2.gz NXKFNUQACYTEOB-DJJJIMSYSA-N 1 2 348.418 2.466 20 10 EECDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1O ZINC001273304562 1198005172 /nfs/dbraw/zinc/00/51/72/1198005172.db2.gz NXKFNUQACYTEOB-DJJJIMSYSA-N 1 2 348.418 2.466 20 10 EECDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2O)C1=O ZINC001273305079 1198007717 /nfs/dbraw/zinc/00/77/17/1198007717.db2.gz ZTWADHSEIJODFG-KPZWWZAWSA-N 1 2 334.391 2.076 20 10 EECDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cccc(F)c2O)C1=O ZINC001273305079 1198007723 /nfs/dbraw/zinc/00/77/23/1198007723.db2.gz ZTWADHSEIJODFG-KPZWWZAWSA-N 1 2 334.391 2.076 20 10 EECDLO CCn1ncnc1CN[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877033707 1199850102 /nfs/dbraw/zinc/85/01/02/1199850102.db2.gz KQSVMLRAPUADJW-OAHLLOKOSA-N 1 2 349.866 2.411 20 10 EECDLO CCn1ncnc1CN[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877033707 1199850104 /nfs/dbraw/zinc/85/01/04/1199850104.db2.gz KQSVMLRAPUADJW-OAHLLOKOSA-N 1 2 349.866 2.411 20 10 EECDLO CCn1cncc1C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877708374 1200046165 /nfs/dbraw/zinc/04/61/65/1200046165.db2.gz KCEPQDNOZMTYPN-UHFFFAOYSA-N 1 2 330.432 2.242 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C/Cl)cc1 ZINC001039062770 1230274196 /nfs/dbraw/zinc/27/41/96/1230274196.db2.gz ZOUUWAFLBAPZFZ-WQULGGARSA-N 1 2 335.795 2.406 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C/Cl)cc1 ZINC001039062770 1230274198 /nfs/dbraw/zinc/27/41/98/1230274198.db2.gz ZOUUWAFLBAPZFZ-WQULGGARSA-N 1 2 335.795 2.406 20 10 EECDLO Oc1cc(O)c(C[NH+]2CCN(Cc3cccnc3)CC2)cc1Cl ZINC001232260391 1304057246 /nfs/dbraw/zinc/05/72/46/1304057246.db2.gz PFNDBHQTDABSDI-UHFFFAOYSA-N 1 2 333.819 2.464 20 10 EECDLO Oc1cc(I)ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001232977810 1304313077 /nfs/dbraw/zinc/31/30/77/1304313077.db2.gz NEPTZXIUTZAAHR-ZDUSSCGKSA-N 1 2 345.180 2.362 20 10 EECDLO Oc1cc(I)ccc1C[N@H+]1CC[C@@]12CCOC2 ZINC001232977810 1304313082 /nfs/dbraw/zinc/31/30/82/1304313082.db2.gz NEPTZXIUTZAAHR-ZDUSSCGKSA-N 1 2 345.180 2.362 20 10 EECDLO Oc1cc(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc(O)c1O ZINC001233010296 1304326099 /nfs/dbraw/zinc/32/60/99/1304326099.db2.gz NXONEDPRTUPMLA-YPMHNXCESA-N 1 2 339.285 2.031 20 10 EECDLO Oc1cc(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc(O)c1O ZINC001233010296 1304326102 /nfs/dbraw/zinc/32/61/02/1304326102.db2.gz NXONEDPRTUPMLA-YPMHNXCESA-N 1 2 339.285 2.031 20 10 EECDLO CCOC(=O)c1c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c2ccccc2n1C ZINC001233270302 1304411386 /nfs/dbraw/zinc/41/13/86/1304411386.db2.gz IQEVGAYKXJTAHU-OLZOCXBDSA-N 1 2 334.391 2.260 20 10 EECDLO CCOC(=O)c1c(C[N@H+]2C[C@H](F)C[C@H]2CO)c2ccccc2n1C ZINC001233270302 1304411390 /nfs/dbraw/zinc/41/13/90/1304411390.db2.gz IQEVGAYKXJTAHU-OLZOCXBDSA-N 1 2 334.391 2.260 20 10 EECDLO C[C@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CC(=O)N1 ZINC001236779248 1305674404 /nfs/dbraw/zinc/67/44/04/1305674404.db2.gz RYISGJKYRPNHCT-AWEZNQCLSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC(=O)N1 ZINC001236779248 1305674410 /nfs/dbraw/zinc/67/44/10/1305674410.db2.gz RYISGJKYRPNHCT-AWEZNQCLSA-N 1 2 326.396 2.292 20 10 EECDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237086726 1305791792 /nfs/dbraw/zinc/79/17/92/1305791792.db2.gz NZGQKPVUVCAREN-SNVBAGLBSA-N 1 2 347.242 2.426 20 10 EECDLO COC[C@H]1CC[N@H+]1Cc1cccc(I)c1O ZINC001237785398 1306092231 /nfs/dbraw/zinc/09/22/31/1306092231.db2.gz FPDNCBMIMDAGFD-SNVBAGLBSA-N 1 2 333.169 2.218 20 10 EECDLO CC[C@]1(C(=O)OC)C[C@H](N(C)Cc2ccc(N3CCCC3)cc2)C[NH2+]1 ZINC001246790160 1310430710 /nfs/dbraw/zinc/43/07/10/1310430710.db2.gz LKSATAJQXHMGDS-AZUAARDMSA-N 1 2 345.487 2.402 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001139126199 1314707782 /nfs/dbraw/zinc/70/77/82/1314707782.db2.gz ADAYYWOFKRXSRT-LLVKDONJSA-N 1 2 339.338 2.257 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001139126199 1314707785 /nfs/dbraw/zinc/70/77/85/1314707785.db2.gz ADAYYWOFKRXSRT-LLVKDONJSA-N 1 2 339.338 2.257 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC001139132907 1314708922 /nfs/dbraw/zinc/70/89/22/1314708922.db2.gz CHJASDVIZFWYTA-CQSZACIVSA-N 1 2 328.412 2.476 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001139132907 1314708925 /nfs/dbraw/zinc/70/89/25/1314708925.db2.gz CHJASDVIZFWYTA-CQSZACIVSA-N 1 2 328.412 2.476 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(CC(F)F)CC1 ZINC001139131996 1314709130 /nfs/dbraw/zinc/70/91/30/1314709130.db2.gz ROUNBFXRUJLTRE-UHFFFAOYSA-N 1 2 338.354 2.190 20 10 EECDLO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000840355063 1315355677 /nfs/dbraw/zinc/35/56/77/1315355677.db2.gz WMCXHOUZCGDDHK-HNNXBMFYSA-N 1 2 348.491 2.224 20 10 EECDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001153048241 1316767034 /nfs/dbraw/zinc/76/70/34/1316767034.db2.gz WXOWXJAFFBUULS-NSHDSACASA-N 1 2 344.375 2.226 20 10 EECDLO Nc1ccc(N(CCO)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001209927391 1325100767 /nfs/dbraw/zinc/10/07/67/1325100767.db2.gz RYWXGJJPINGPKE-UHFFFAOYSA-N 1 2 327.428 2.231 20 10 EECDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(-c2nn[nH]n2)c1O ZINC001589977398 1349089661 /nfs/dbraw/zinc/08/96/61/1349089661.db2.gz XMUWKLADFIWGLW-MRVPVSSYSA-N 1 2 343.416 2.152 20 10 EECDLO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590446352 1349328935 /nfs/dbraw/zinc/32/89/35/1349328935.db2.gz ARZLMMRDSMQCIL-AAEUAGOBSA-N 1 2 331.420 2.428 20 10 EECDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000894046715 780460012 /nfs/dbraw/zinc/46/00/12/780460012.db2.gz PSUKYYQXDRFNGT-ONGXEEELSA-N 1 2 348.262 2.068 20 10 EECDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000708169338 786763911 /nfs/dbraw/zinc/76/39/11/786763911.db2.gz GKFWWTNIAJAUKK-LBPRGKRZSA-N 1 2 336.613 2.049 20 10 EECDLO O=C1C[N@H+](Cc2c(O)cc(O)cc2O)CCN1c1ccc(Cl)cc1 ZINC001144516428 789915256 /nfs/dbraw/zinc/91/52/56/789915256.db2.gz YEHHZYYKWDWLQW-UHFFFAOYSA-N 1 2 348.786 2.306 20 10 EECDLO O=C1C[N@@H+](Cc2c(O)cc(O)cc2O)CCN1c1ccc(Cl)cc1 ZINC001144516428 789915257 /nfs/dbraw/zinc/91/52/57/789915257.db2.gz YEHHZYYKWDWLQW-UHFFFAOYSA-N 1 2 348.786 2.306 20 10 EECDLO NC(=O)c1c[nH]c2nc[nH+]c(NCc3cc4ccccc4cc3O)c12 ZINC001171402817 794871237 /nfs/dbraw/zinc/87/12/37/794871237.db2.gz SMHAESWYDUAWDQ-UHFFFAOYSA-N 1 2 333.351 2.479 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H](C)C(C)C)cc12 ZINC001184355254 801999734 /nfs/dbraw/zinc/99/97/34/801999734.db2.gz SZYILGFOPZORPS-ZDUSSCGKSA-N 1 2 346.427 2.400 20 10 EECDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H](C)C(C)C)cc12 ZINC001184355254 801999738 /nfs/dbraw/zinc/99/97/38/801999738.db2.gz SZYILGFOPZORPS-ZDUSSCGKSA-N 1 2 346.427 2.400 20 10 EECDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(Br)c1O ZINC000787423332 807110055 /nfs/dbraw/zinc/11/00/55/807110055.db2.gz KBTHXNROJJUHIZ-CDMKHQONSA-N 1 2 339.233 2.241 20 10 EECDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Br)c1O ZINC000787423332 807110058 /nfs/dbraw/zinc/11/00/58/807110058.db2.gz KBTHXNROJJUHIZ-CDMKHQONSA-N 1 2 339.233 2.241 20 10 EECDLO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000092676051 237043843 /nfs/dbraw/zinc/04/38/43/237043843.db2.gz YBHAEOKTNAMBIX-GOSISDBHSA-N 1 2 326.396 2.464 20 10 EECDLO CCOc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000092676051 237043847 /nfs/dbraw/zinc/04/38/47/237043847.db2.gz YBHAEOKTNAMBIX-GOSISDBHSA-N 1 2 326.396 2.464 20 10 EECDLO Cc1nsc(N2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000130966755 462786036 /nfs/dbraw/zinc/78/60/36/462786036.db2.gz YZATXRPXCLUBKP-UHFFFAOYSA-N 1 2 335.452 2.374 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2cccnc2)cc1 ZINC000138319248 463308024 /nfs/dbraw/zinc/30/80/24/463308024.db2.gz LTSUDZNTISVVGG-UHFFFAOYSA-N 1 2 326.444 2.238 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2cccnc2)cc1 ZINC000138319248 463308029 /nfs/dbraw/zinc/30/80/29/463308029.db2.gz LTSUDZNTISVVGG-UHFFFAOYSA-N 1 2 326.444 2.238 20 10 EECDLO CN(C)c1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)cc1F ZINC000151296306 463507932 /nfs/dbraw/zinc/50/79/32/463507932.db2.gz QQNSXQDNOWPFCK-UHFFFAOYSA-N 1 2 333.411 2.320 20 10 EECDLO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O ZINC000186235389 463957961 /nfs/dbraw/zinc/95/79/61/463957961.db2.gz YVOPQMFCJCUNBK-VIFPVBQESA-N 1 2 333.215 2.208 20 10 EECDLO CCC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OC ZINC000278895180 464006794 /nfs/dbraw/zinc/00/67/94/464006794.db2.gz QFKAOBQQIRAWTA-OAHLLOKOSA-N 1 2 326.349 2.130 20 10 EECDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000293861717 464423091 /nfs/dbraw/zinc/42/30/91/464423091.db2.gz IIBPROJDSWPGFH-ZDUSSCGKSA-N 1 2 346.196 2.488 20 10 EECDLO COc1c(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000293906635 464424742 /nfs/dbraw/zinc/42/47/42/464424742.db2.gz FTJGHPUJLNIQSQ-IRXDYDNUSA-N 1 2 334.372 2.452 20 10 EECDLO COc1c(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000293906635 464424749 /nfs/dbraw/zinc/42/47/49/464424749.db2.gz FTJGHPUJLNIQSQ-IRXDYDNUSA-N 1 2 334.372 2.452 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000274610801 464749624 /nfs/dbraw/zinc/74/96/24/464749624.db2.gz WWIUPKZXTRAIHU-IBGZPJMESA-N 1 2 345.487 2.212 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000274610801 464749631 /nfs/dbraw/zinc/74/96/31/464749631.db2.gz WWIUPKZXTRAIHU-IBGZPJMESA-N 1 2 345.487 2.212 20 10 EECDLO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000275532353 464779866 /nfs/dbraw/zinc/77/98/66/464779866.db2.gz LXWUARQEKVXCKH-GOEBONIOSA-N 1 2 332.360 2.044 20 10 EECDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299670682 465850095 /nfs/dbraw/zinc/85/00/95/465850095.db2.gz MEOKSUBYGQETBV-OAHLLOKOSA-N 1 2 326.444 2.457 20 10 EECDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299670682 465850099 /nfs/dbraw/zinc/85/00/99/465850099.db2.gz MEOKSUBYGQETBV-OAHLLOKOSA-N 1 2 326.444 2.457 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)cc1F ZINC000084963938 534016386 /nfs/dbraw/zinc/01/63/86/534016386.db2.gz FYSZSRPZSDWDCM-OAHLLOKOSA-N 1 2 349.450 2.357 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000774876990 577421803 /nfs/dbraw/zinc/42/18/03/577421803.db2.gz UCZHVAZVTAGJGU-ZDUSSCGKSA-N 1 2 338.360 2.036 20 10 EECDLO COc1c(O)c(C[N@H+]2CCCC[C@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000774876990 577421805 /nfs/dbraw/zinc/42/18/05/577421805.db2.gz UCZHVAZVTAGJGU-ZDUSSCGKSA-N 1 2 338.360 2.036 20 10 EECDLO C[N@H+](Cc1nnc2n1CCC2)Cc1cc(Br)ccc1O ZINC000768224075 577552375 /nfs/dbraw/zinc/55/23/75/577552375.db2.gz QLHAYWFVUUKBJE-UHFFFAOYSA-N 1 2 337.221 2.324 20 10 EECDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1cc(Br)ccc1O ZINC000768224075 577552376 /nfs/dbraw/zinc/55/23/76/577552376.db2.gz QLHAYWFVUUKBJE-UHFFFAOYSA-N 1 2 337.221 2.324 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(O)c1O ZINC000751530779 577754968 /nfs/dbraw/zinc/75/49/68/577754968.db2.gz SSRYSDKEXIWGCK-UHFFFAOYSA-N 1 2 332.425 2.426 20 10 EECDLO Cc1cccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000746465606 577928228 /nfs/dbraw/zinc/92/82/28/577928228.db2.gz YGNGMGSGNPQESY-UHFFFAOYSA-N 1 2 326.444 2.204 20 10 EECDLO Cc1cccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000746465606 577928229 /nfs/dbraw/zinc/92/82/29/577928229.db2.gz YGNGMGSGNPQESY-UHFFFAOYSA-N 1 2 326.444 2.204 20 10 EECDLO O=C1N=C(N2CCOCC2)S/C1=C/c1c[nH+]c2ccc(Cl)cn12 ZINC000737443727 578258069 /nfs/dbraw/zinc/25/80/69/578258069.db2.gz LMKORDXXLHVMIF-KPKJPENVSA-N 1 2 348.815 2.290 20 10 EECDLO COC[C@@]1(CO)CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894929963 683412311 /nfs/dbraw/zinc/41/23/11/683412311.db2.gz QXPICTYVNUAJFC-AWEZNQCLSA-N 1 2 348.212 2.125 20 10 EECDLO COC[C@@]1(CO)CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894929963 683412317 /nfs/dbraw/zinc/41/23/17/683412317.db2.gz QXPICTYVNUAJFC-AWEZNQCLSA-N 1 2 348.212 2.125 20 10 EECDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877508442 1199952258 /nfs/dbraw/zinc/95/22/58/1199952258.db2.gz YBXVZIQYOISDFJ-UHFFFAOYSA-N 1 2 330.432 2.364 20 10 EECDLO CON(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000812779962 1200910418 /nfs/dbraw/zinc/91/04/18/1200910418.db2.gz NMZPDHUGYOZQSB-UHFFFAOYSA-N 1 2 330.787 2.417 20 10 EECDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883152779 1202022160 /nfs/dbraw/zinc/02/21/60/1202022160.db2.gz HDFTXUBSXAHENA-GHMZBOCLSA-N 1 2 336.613 2.312 20 10 EECDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2F)C[C@H](C)O1 ZINC000900268383 1234136569 /nfs/dbraw/zinc/13/65/69/1234136569.db2.gz AADIDTNLSBZBGF-STQMWFEESA-N 1 2 346.406 2.021 20 10 EECDLO Cc1cc(C[NH+]2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccccc1 ZINC001137857939 1294559329 /nfs/dbraw/zinc/55/93/29/1294559329.db2.gz OVDDOWPIEWTOTJ-UHFFFAOYSA-N 1 2 347.484 2.171 20 10 EECDLO COc1ccc(C[NH+]2CC3(C2)CC[C@H](C(=O)NC(C)(C)C)O3)c(O)c1 ZINC001277454522 1303180471 /nfs/dbraw/zinc/18/04/71/1303180471.db2.gz UWCAIIBVOBCCKT-MRXNPFEDSA-N 1 2 348.443 2.049 20 10 EECDLO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(O)cc1O ZINC001231639780 1303876658 /nfs/dbraw/zinc/87/66/58/1303876658.db2.gz KBIZXTVJYJMHEW-MRXNPFEDSA-N 1 2 342.386 2.412 20 10 EECDLO CC1(C)CN(C2C[NH+](Cc3cc(Cl)c(O)cc3O)C2)CCO1 ZINC001232262762 1304056766 /nfs/dbraw/zinc/05/67/66/1304056766.db2.gz OXFCHYNXWIATEZ-UHFFFAOYSA-N 1 2 326.824 2.046 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)cc1Br ZINC001233134814 1304372830 /nfs/dbraw/zinc/37/28/30/1304372830.db2.gz FETFWVZLXMHGER-KOLCDFICSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)cc1Br ZINC001233134814 1304372836 /nfs/dbraw/zinc/37/28/36/1304372836.db2.gz FETFWVZLXMHGER-KOLCDFICSA-N 1 2 348.212 2.316 20 10 EECDLO Cc1cccc(C(=O)N2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141160379 1315052026 /nfs/dbraw/zinc/05/20/26/1315052026.db2.gz WLOGDHZGWFLKGS-UHFFFAOYSA-N 1 2 326.396 2.364 20 10 EECDLO CC[NH+]1CCN(c2ccc(CNCc3ccc(C)nn3)cc2F)CC1 ZINC000840895710 1315429850 /nfs/dbraw/zinc/42/98/50/1315429850.db2.gz SLVHIUSULCFNOE-UHFFFAOYSA-N 1 2 343.450 2.356 20 10 EECDLO Cc1cc(C)nc(N2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)n1 ZINC001142520970 1315647997 /nfs/dbraw/zinc/64/79/97/1315647997.db2.gz SDJMQJIXABTEOY-UHFFFAOYSA-N 1 2 334.370 2.399 20 10 EECDLO COc1ccc(C[N@@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c(O)c1 ZINC001203629854 1321927258 /nfs/dbraw/zinc/92/72/58/1321927258.db2.gz MWRKAMIOZUAGMM-UHFFFAOYSA-N 1 2 345.399 2.085 20 10 EECDLO COc1ccc(C[N@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c(O)c1 ZINC001203629854 1321927261 /nfs/dbraw/zinc/92/72/61/1321927261.db2.gz MWRKAMIOZUAGMM-UHFFFAOYSA-N 1 2 345.399 2.085 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2nnn(C)c21 ZINC001204327669 1322113327 /nfs/dbraw/zinc/11/33/27/1322113327.db2.gz DVFDSNNOSOSLOR-INIZCTEOSA-N 1 2 341.459 2.161 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)Cc2nnn(C)c21 ZINC001204327669 1322113331 /nfs/dbraw/zinc/11/33/31/1322113331.db2.gz DVFDSNNOSOSLOR-INIZCTEOSA-N 1 2 341.459 2.161 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276470201 1322162110 /nfs/dbraw/zinc/16/21/10/1322162110.db2.gz LKVXOMWUKQCMTI-SWLSCSKDSA-N 1 2 334.370 2.100 20 10 EECDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276470201 1322162115 /nfs/dbraw/zinc/16/21/15/1322162115.db2.gz LKVXOMWUKQCMTI-SWLSCSKDSA-N 1 2 334.370 2.100 20 10 EECDLO Oc1ccc(F)c(F)c1CN1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001276470201 1322162118 /nfs/dbraw/zinc/16/21/18/1322162118.db2.gz LKVXOMWUKQCMTI-SWLSCSKDSA-N 1 2 334.370 2.100 20 10 EECDLO Oc1ccc(F)c(F)c1CN1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001276470201 1322162123 /nfs/dbraw/zinc/16/21/23/1322162123.db2.gz LKVXOMWUKQCMTI-SWLSCSKDSA-N 1 2 334.370 2.100 20 10 EECDLO Oc1cc(O)c(CN2CC[C@H]3C[N@H+](Cc4cn[nH]c4)C[C@H]32)cc1Cl ZINC001276617625 1324811994 /nfs/dbraw/zinc/81/19/94/1324811994.db2.gz RUFGZGPNMNBCQC-SWLSCSKDSA-N 1 2 348.834 2.181 20 10 EECDLO Oc1cc(O)c(CN2CC[C@H]3C[N@@H+](Cc4cn[nH]c4)C[C@H]32)cc1Cl ZINC001276617625 1324811999 /nfs/dbraw/zinc/81/19/99/1324811999.db2.gz RUFGZGPNMNBCQC-SWLSCSKDSA-N 1 2 348.834 2.181 20 10 EECDLO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001603670480 1350738776 /nfs/dbraw/zinc/73/87/76/1350738776.db2.gz HRVHNOKMRDAODI-GFCCVEGCSA-N 1 2 338.415 2.489 20 10 EECDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000066863792 776977143 /nfs/dbraw/zinc/97/71/43/776977143.db2.gz KCOMTGFMWZBALW-UHFFFAOYSA-N 1 2 333.476 2.466 20 10 EECDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893949602 780334898 /nfs/dbraw/zinc/33/48/98/780334898.db2.gz NVXCUQTVUCCVLB-QMMMGPOBSA-N 1 2 332.169 2.289 20 10 EECDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893949602 780334905 /nfs/dbraw/zinc/33/49/05/780334905.db2.gz NVXCUQTVUCCVLB-QMMMGPOBSA-N 1 2 332.169 2.289 20 10 EECDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809700297 783288910 /nfs/dbraw/zinc/28/89/10/783288910.db2.gz CCHMZHCWLMEFLF-BXUZGUMPSA-N 1 2 328.815 2.480 20 10 EECDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809700297 783288919 /nfs/dbraw/zinc/28/89/19/783288919.db2.gz CCHMZHCWLMEFLF-BXUZGUMPSA-N 1 2 328.815 2.480 20 10 EECDLO OCc1cn([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000816642012 784164317 /nfs/dbraw/zinc/16/43/17/784164317.db2.gz MWFXCIKRZBCVSK-ZDUSSCGKSA-N 1 2 340.786 2.106 20 10 EECDLO OCc1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000816642012 784164320 /nfs/dbraw/zinc/16/43/20/784164320.db2.gz MWFXCIKRZBCVSK-ZDUSSCGKSA-N 1 2 340.786 2.106 20 10 EECDLO NC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132663 786752779 /nfs/dbraw/zinc/75/27/79/786752779.db2.gz FHSZKPFDHJAOCR-ZETCQYMHSA-N 1 2 333.613 2.115 20 10 EECDLO NC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132663 786752787 /nfs/dbraw/zinc/75/27/87/786752787.db2.gz FHSZKPFDHJAOCR-ZETCQYMHSA-N 1 2 333.613 2.115 20 10 EECDLO OCCCN1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000824582870 788246213 /nfs/dbraw/zinc/24/62/13/788246213.db2.gz CRBJAGVKGUCXHE-ZDUSSCGKSA-N 1 2 343.265 2.091 20 10 EECDLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000806614494 811939263 /nfs/dbraw/zinc/93/92/63/811939263.db2.gz VMRQXZSCEADWCM-CQSZACIVSA-N 1 2 328.416 2.056 20 10 EECDLO O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001119614009 1126147894 /nfs/dbraw/zinc/14/78/94/1126147894.db2.gz UDZDWAILLJAVIB-QGZVFWFLSA-N 1 2 328.416 2.186 20 10 EECDLO Cn1cc[nH+]c1CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001519824801 1119108344 /nfs/dbraw/zinc/10/83/44/1119108344.db2.gz CYXRTYFGTNZXGS-INIZCTEOSA-N 1 2 343.427 2.266 20 10 EECDLO Cc1cc(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1Br ZINC001237678714 782084110 /nfs/dbraw/zinc/08/41/10/782084110.db2.gz LITYOHIGWUETDB-NSHDSACASA-N 1 2 348.262 2.082 20 10 EECDLO Cc1cc(O)c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1Br ZINC001237678714 782084117 /nfs/dbraw/zinc/08/41/17/782084117.db2.gz LITYOHIGWUETDB-NSHDSACASA-N 1 2 348.262 2.082 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCNC(=O)C(C)C)c1O ZINC000157543114 463141834 /nfs/dbraw/zinc/14/18/34/463141834.db2.gz GKNQFXNTPCRNDR-UHFFFAOYSA-N 1 2 326.824 2.452 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCNC(=O)C(C)C)c1O ZINC000157543114 463141838 /nfs/dbraw/zinc/14/18/38/463141838.db2.gz GKNQFXNTPCRNDR-UHFFFAOYSA-N 1 2 326.824 2.452 20 10 EECDLO COc1c(O)c(C[N@H+](C)[C@H](C)C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000278269975 463959582 /nfs/dbraw/zinc/95/95/82/463959582.db2.gz RKVLEQQAZFASCX-SNVBAGLBSA-N 1 2 326.349 2.081 20 10 EECDLO COc1c(O)c(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000278269975 463959588 /nfs/dbraw/zinc/95/95/88/463959588.db2.gz RKVLEQQAZFASCX-SNVBAGLBSA-N 1 2 326.349 2.081 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000278610820 463972725 /nfs/dbraw/zinc/97/27/25/463972725.db2.gz GNXNSWMIUIPZMS-ZDUSSCGKSA-N 1 2 347.864 2.453 20 10 EECDLO CN(C)c1ccc(C[NH2+]Cc2cc(C(N)=O)no2)c(C(F)(F)F)c1 ZINC000279545634 464115093 /nfs/dbraw/zinc/11/50/93/464115093.db2.gz AEDBONREGULCKD-UHFFFAOYSA-N 1 2 342.321 2.148 20 10 EECDLO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(O)c1O ZINC000179393310 464127637 /nfs/dbraw/zinc/12/76/37/464127637.db2.gz SGOLHIBRIZULHS-UHFFFAOYSA-N 1 2 342.395 2.491 20 10 EECDLO Cc1ccc(O)c(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c1 ZINC000291029326 464142857 /nfs/dbraw/zinc/14/28/57/464142857.db2.gz DURYWZVDOPNQRL-UHFFFAOYSA-N 1 2 325.412 2.245 20 10 EECDLO Cc1ccc(O)c(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)c1 ZINC000291029326 464142862 /nfs/dbraw/zinc/14/28/62/464142862.db2.gz DURYWZVDOPNQRL-UHFFFAOYSA-N 1 2 325.412 2.245 20 10 EECDLO COC(=O)N1CCN(c2ccc(NCc3ccccc3O)c[nH+]2)CC1 ZINC000292877976 464373826 /nfs/dbraw/zinc/37/38/26/464373826.db2.gz BVNJVJSEPOLZNP-UHFFFAOYSA-N 1 2 342.399 2.288 20 10 EECDLO Cc1nc(CC[NH2+][C@H](C)c2ccc(Br)cc2O)n[nH]1 ZINC000273444179 464716503 /nfs/dbraw/zinc/71/65/03/464716503.db2.gz NNCIUMSGAJSCTF-MRVPVSSYSA-N 1 2 325.210 2.475 20 10 EECDLO Cc1nnc(CC[NH2+][C@H](C)c2ccc(Br)cc2O)[nH]1 ZINC000273444179 464716509 /nfs/dbraw/zinc/71/65/09/464716509.db2.gz NNCIUMSGAJSCTF-MRVPVSSYSA-N 1 2 325.210 2.475 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000756702783 577848886 /nfs/dbraw/zinc/84/88/86/577848886.db2.gz QECLXBHTZREUEX-MRXNPFEDSA-N 1 2 341.459 2.494 20 10 EECDLO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000152514944 683324518 /nfs/dbraw/zinc/32/45/18/683324518.db2.gz FVNXMAGAWDDYHZ-UHFFFAOYSA-N 1 2 329.448 2.489 20 10 EECDLO COc1cc(Cl)cc(C[NH+]2CCC(S(C)(=O)=O)CC2)c1O ZINC000314506400 683780095 /nfs/dbraw/zinc/78/00/95/683780095.db2.gz FZKWMCINZJYMII-UHFFFAOYSA-N 1 2 333.837 2.063 20 10 EECDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@H]1COCCO1 ZINC000895258034 684397173 /nfs/dbraw/zinc/39/71/73/684397173.db2.gz ANBOTQQRWIDMSO-NSHDSACASA-N 1 2 334.185 2.141 20 10 EECDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C[C@H]1COCCO1 ZINC000895258034 684397176 /nfs/dbraw/zinc/39/71/76/684397176.db2.gz ANBOTQQRWIDMSO-NSHDSACASA-N 1 2 334.185 2.141 20 10 EECDLO CCn1c[nH+]c2c1CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000896660257 685150304 /nfs/dbraw/zinc/15/03/04/685150304.db2.gz MDXIGRPCSGDYLL-UHFFFAOYSA-N 1 2 332.360 2.391 20 10 EECDLO O=C(c1ccc(O)c(O)c1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270038157 1184805084 /nfs/dbraw/zinc/80/50/84/1184805084.db2.gz SHAGEIBWEOTKCJ-UHFFFAOYSA-N 1 2 344.333 2.341 20 10 EECDLO O=C(c1ccc(O)c(O)c1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270038157 1184805092 /nfs/dbraw/zinc/80/50/92/1184805092.db2.gz SHAGEIBWEOTKCJ-UHFFFAOYSA-N 1 2 344.333 2.341 20 10 EECDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cccc1F ZINC001273265654 1197890015 /nfs/dbraw/zinc/89/00/15/1197890015.db2.gz IVQAIPMIFFXSNC-ORAYPTAESA-N 1 2 348.418 2.466 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000877780503 1200098026 /nfs/dbraw/zinc/09/80/26/1200098026.db2.gz SRSFCMPXTQAEBK-LLVKDONJSA-N 1 2 332.263 2.373 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCSC[C@H]2CO)c1 ZINC000877780503 1200098036 /nfs/dbraw/zinc/09/80/36/1200098036.db2.gz SRSFCMPXTQAEBK-LLVKDONJSA-N 1 2 332.263 2.373 20 10 EECDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c2ncnn21 ZINC000924759169 1206028057 /nfs/dbraw/zinc/02/80/57/1206028057.db2.gz GAEUMVPINWVCPG-MLGOLLRUSA-N 1 2 345.422 2.174 20 10 EECDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000121482648 1284752558 /nfs/dbraw/zinc/75/25/58/1284752558.db2.gz KOWVQHZXINWMJW-CYBMUJFWSA-N 1 2 339.233 2.398 20 10 EECDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000121482648 1284752570 /nfs/dbraw/zinc/75/25/70/1284752570.db2.gz KOWVQHZXINWMJW-CYBMUJFWSA-N 1 2 339.233 2.398 20 10 EECDLO Cc1noc(NC(=O)[C@@H]2CC23C[NH+](Cc2ccc(O)c(O)c2)C3)c1C ZINC001276914457 1300239422 /nfs/dbraw/zinc/23/94/22/1300239422.db2.gz RIUHKRDTTWXKIN-ZDUSSCGKSA-N 1 2 343.383 2.163 20 10 EECDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cc(C)nn2C)C3)c(OC)c1 ZINC001276994783 1300726063 /nfs/dbraw/zinc/72/60/63/1300726063.db2.gz SRUZULSFRVMWPI-UHFFFAOYSA-N 1 2 342.443 2.068 20 10 EECDLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231853239 1303930680 /nfs/dbraw/zinc/93/06/80/1303930680.db2.gz WEOAYRMXVOANMR-OAHLLOKOSA-N 1 2 344.459 2.236 20 10 EECDLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231853239 1303930688 /nfs/dbraw/zinc/93/06/88/1303930688.db2.gz WEOAYRMXVOANMR-OAHLLOKOSA-N 1 2 344.459 2.236 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCS1 ZINC001232263949 1304058058 /nfs/dbraw/zinc/05/80/58/1304058058.db2.gz XHEKNMYTGFZMSL-CYBMUJFWSA-N 1 2 331.821 2.232 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCS1 ZINC001232263949 1304058064 /nfs/dbraw/zinc/05/80/64/1304058064.db2.gz XHEKNMYTGFZMSL-CYBMUJFWSA-N 1 2 331.821 2.232 20 10 EECDLO C[C@](O)(C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1)C(F)(F)F ZINC001233015569 1304328642 /nfs/dbraw/zinc/32/86/42/1304328642.db2.gz SQYVDUZZQHRBMI-AWEZNQCLSA-N 1 2 335.322 2.329 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCCO1 ZINC001233419327 1304461735 /nfs/dbraw/zinc/46/17/35/1304461735.db2.gz UBWYGRPPIPPFAD-LBPRGKRZSA-N 1 2 333.306 2.175 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCCO1 ZINC001233419327 1304461739 /nfs/dbraw/zinc/46/17/39/1304461739.db2.gz UBWYGRPPIPPFAD-LBPRGKRZSA-N 1 2 333.306 2.175 20 10 EECDLO Oc1cc(O)c(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1O ZINC001233482454 1304476539 /nfs/dbraw/zinc/47/65/39/1304476539.db2.gz OESRLNJXFNHHKA-UHFFFAOYSA-N 1 2 332.375 2.260 20 10 EECDLO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c(O)c1Cl ZINC001236817147 1305688059 /nfs/dbraw/zinc/68/80/59/1305688059.db2.gz DNDFQTMAMRNWEX-GFCCVEGCSA-N 1 2 335.791 2.498 20 10 EECDLO COc1ccc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c(O)c1Cl ZINC001236817147 1305688062 /nfs/dbraw/zinc/68/80/62/1305688062.db2.gz DNDFQTMAMRNWEX-GFCCVEGCSA-N 1 2 335.791 2.498 20 10 EECDLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921363 1305728629 /nfs/dbraw/zinc/72/86/29/1305728629.db2.gz DRGGPONYEKJYHN-HIFRSBDPSA-N 1 2 342.842 2.329 20 10 EECDLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921363 1305728638 /nfs/dbraw/zinc/72/86/38/1305728638.db2.gz DRGGPONYEKJYHN-HIFRSBDPSA-N 1 2 342.842 2.329 20 10 EECDLO O=S1(=O)CCN(c2ccc(C[N@H+]3CCCC[C@@H](F)C3)cc2)CC1 ZINC001237204004 1305846849 /nfs/dbraw/zinc/84/68/49/1305846849.db2.gz XDIILJBESSUDBB-MRXNPFEDSA-N 1 2 340.464 2.245 20 10 EECDLO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCCC[C@@H](F)C3)cc2)CC1 ZINC001237204004 1305846858 /nfs/dbraw/zinc/84/68/58/1305846858.db2.gz XDIILJBESSUDBB-MRXNPFEDSA-N 1 2 340.464 2.245 20 10 EECDLO COc1cc(C[NH+]2CCN(C(=O)CC(C)C)CC2)c(O)c(OC)c1 ZINC001237679321 1306042061 /nfs/dbraw/zinc/04/20/61/1306042061.db2.gz URNANCTZAZZZFB-UHFFFAOYSA-N 1 2 336.432 2.100 20 10 EECDLO COc1ccc(C[NH+]2CC=CC2)c(O)c1I ZINC001248482101 1310910013 /nfs/dbraw/zinc/91/00/13/1310910013.db2.gz QUVSOPIUMRRLQT-UHFFFAOYSA-N 1 2 331.153 2.377 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000840485988 1315369930 /nfs/dbraw/zinc/36/99/30/1315369930.db2.gz XPCIPGJLKBEPCK-OAHLLOKOSA-N 1 2 341.459 2.414 20 10 EECDLO Nc1ccc(CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000841962874 1315645381 /nfs/dbraw/zinc/64/53/81/1315645381.db2.gz UJUFBWBINCDJDJ-UHFFFAOYSA-N 1 2 344.484 2.400 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252712 1317035297 /nfs/dbraw/zinc/03/52/97/1317035297.db2.gz ROBPMXKUZHBCSQ-MRXNPFEDSA-N 1 2 347.411 2.340 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252712 1317035308 /nfs/dbraw/zinc/03/53/08/1317035308.db2.gz ROBPMXKUZHBCSQ-MRXNPFEDSA-N 1 2 347.411 2.340 20 10 EECDLO CC[C@@H]([NH2+]CCOc1cccnc1)c1cccc(-c2nn[nH]n2)c1O ZINC001590471192 1349346308 /nfs/dbraw/zinc/34/63/08/1349346308.db2.gz YQMDQRAEUSYDPU-OAHLLOKOSA-N 1 2 340.387 2.087 20 10 EECDLO C[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)C(=O)OC(C)(C)C ZINC001603551725 1350718643 /nfs/dbraw/zinc/71/86/43/1350718643.db2.gz DFYOAOFYCIJLEM-GHMZBOCLSA-N 1 2 347.419 2.201 20 10 EECDLO CC[C@H](C)C(=O)NCCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001089811432 776183423 /nfs/dbraw/zinc/18/34/23/776183423.db2.gz FAZJWHRZAZTCKX-ZDUSSCGKSA-N 1 2 342.447 2.052 20 10 EECDLO OC[C@@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000708133477 786752460 /nfs/dbraw/zinc/75/24/60/786752460.db2.gz KAJCDEGOQKZRQP-LBPRGKRZSA-N 1 2 336.613 2.049 20 10 EECDLO COCc1noc([C@H](C)[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844402143 789068629 /nfs/dbraw/zinc/06/86/29/789068629.db2.gz VMPJAEYAHQDOGD-ZDUSSCGKSA-N 1 2 334.420 2.354 20 10 EECDLO COCc1noc([C@H](C)[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844402143 789068641 /nfs/dbraw/zinc/06/86/41/789068641.db2.gz VMPJAEYAHQDOGD-ZDUSSCGKSA-N 1 2 334.420 2.354 20 10 EECDLO COc1ccc(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000917361151 798194026 /nfs/dbraw/zinc/19/40/26/798194026.db2.gz SOKOZNJTOBPDAC-OAHLLOKOSA-N 1 2 328.416 2.192 20 10 EECDLO Cc1ccc(O)c(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000793603623 810428575 /nfs/dbraw/zinc/42/85/75/810428575.db2.gz JVISCHOQLDTFQI-MRXNPFEDSA-N 1 2 349.475 2.341 20 10 EECDLO Cc1ccc(O)c(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000793603623 810428582 /nfs/dbraw/zinc/42/85/82/810428582.db2.gz JVISCHOQLDTFQI-MRXNPFEDSA-N 1 2 349.475 2.341 20 10 EECDLO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836577 812363182 /nfs/dbraw/zinc/36/31/82/812363182.db2.gz GFRFZAKHXOPWRO-SNVBAGLBSA-N 1 2 347.242 2.284 20 10 EECDLO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836576 812363297 /nfs/dbraw/zinc/36/32/97/812363297.db2.gz GFRFZAKHXOPWRO-JTQLQIEISA-N 1 2 347.242 2.284 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cc1F ZINC000084866778 237007412 /nfs/dbraw/zinc/00/74/12/237007412.db2.gz CKRWTSVEBOLWJO-OAHLLOKOSA-N 1 2 349.450 2.357 20 10 EECDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C ZINC000296246479 465128373 /nfs/dbraw/zinc/12/83/73/465128373.db2.gz OSMZYDXSZZOOEJ-YERXGYGTSA-N 1 2 327.384 2.454 20 10 EECDLO COc1ccc(N2CCCN(c3nc[nH+]c(N)c3Cl)CC2)cc1 ZINC000302880477 466204344 /nfs/dbraw/zinc/20/43/44/466204344.db2.gz HOSGCMREZIWKFZ-UHFFFAOYSA-N 1 2 333.823 2.438 20 10 EECDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1O ZINC000375008212 466765521 /nfs/dbraw/zinc/76/55/21/466765521.db2.gz LBRRZRSKRZAXSZ-ZBFHGGJFSA-N 1 2 334.416 2.212 20 10 EECDLO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000378538735 467334938 /nfs/dbraw/zinc/33/49/38/467334938.db2.gz ZGYZNXCESMGABG-ZZXKWVIFSA-N 1 2 336.351 2.008 20 10 EECDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CC[S@](=O)C1 ZINC000763646714 577723954 /nfs/dbraw/zinc/72/39/54/577723954.db2.gz AJYOJCZDGUHFLZ-MGNBDDOMSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[S@](=O)C1 ZINC000763646714 577723955 /nfs/dbraw/zinc/72/39/55/577723955.db2.gz AJYOJCZDGUHFLZ-MGNBDDOMSA-N 1 2 332.263 2.355 20 10 EECDLO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc([N+](=O)[O-])ccc1O ZINC000756432288 577844107 /nfs/dbraw/zinc/84/41/07/577844107.db2.gz RUGDNNKXPZVKOR-NSHDSACASA-N 1 2 340.343 2.127 20 10 EECDLO CC[N@H+](Cc1cccc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000160565670 676342699 /nfs/dbraw/zinc/34/26/99/676342699.db2.gz MDPRNOPVWDAINL-NSHDSACASA-N 1 2 348.262 2.164 20 10 EECDLO CC[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000160565670 676342701 /nfs/dbraw/zinc/34/27/01/676342701.db2.gz MDPRNOPVWDAINL-NSHDSACASA-N 1 2 348.262 2.164 20 10 EECDLO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000895351262 684532978 /nfs/dbraw/zinc/53/29/78/684532978.db2.gz UFBGMFMKPKIMAR-GVJMRKKJSA-N 1 2 332.169 2.335 20 10 EECDLO OC[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CCOC1 ZINC000883109123 1202013793 /nfs/dbraw/zinc/01/37/93/1202013793.db2.gz GIPAFJHAYLXGAI-ONGXEEELSA-N 1 2 348.212 2.028 20 10 EECDLO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883132773 1202018156 /nfs/dbraw/zinc/01/81/56/1202018156.db2.gz CSBUFTDOMZRZGM-RNCFNFMXSA-N 1 2 348.212 2.435 20 10 EECDLO CC(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837004 1205180316 /nfs/dbraw/zinc/18/03/16/1205180316.db2.gz RNEZMBVYFLOAOZ-SFHVURJKSA-N 1 2 334.416 2.026 20 10 EECDLO CC(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837004 1205180318 /nfs/dbraw/zinc/18/03/18/1205180318.db2.gz RNEZMBVYFLOAOZ-SFHVURJKSA-N 1 2 334.416 2.026 20 10 EECDLO O=C(Nc1cccnc1)N1CCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001275913197 1205583123 /nfs/dbraw/zinc/58/31/23/1205583123.db2.gz KOIMAUHGHVZUIL-UHFFFAOYSA-N 1 2 342.374 2.419 20 10 EECDLO COc1cc(N(C)C)ccc1CN1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001276368491 1225927094 /nfs/dbraw/zinc/92/70/94/1225927094.db2.gz NGWQYQGNOXVRCL-UHFFFAOYSA-N 1 2 340.471 2.407 20 10 EECDLO O=C(c1c(F)ccc(O)c1O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000900109052 1234020301 /nfs/dbraw/zinc/02/03/01/1234020301.db2.gz VMESSJWCFZUXJD-UHFFFAOYSA-N 1 2 331.347 2.349 20 10 EECDLO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc(CO)on1 ZINC000903448984 1240497807 /nfs/dbraw/zinc/49/78/07/1240497807.db2.gz UYHMZTQOAYGTKU-FZKQIMNGSA-N 1 2 332.448 2.186 20 10 EECDLO COC(=O)c1c(C[NH+]2CCN(CCF)CC2)c2ccccc2n1C ZINC001232406837 1304110160 /nfs/dbraw/zinc/11/01/60/1304110160.db2.gz YYWMTUZCKWLQQX-UHFFFAOYSA-N 1 2 333.407 2.052 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)cc1Br ZINC001233134816 1304371949 /nfs/dbraw/zinc/37/19/49/1304371949.db2.gz FETFWVZLXMHGER-ONGXEEELSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)cc1Br ZINC001233134816 1304371955 /nfs/dbraw/zinc/37/19/55/1304371955.db2.gz FETFWVZLXMHGER-ONGXEEELSA-N 1 2 348.212 2.316 20 10 EECDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1c(C)ccc(C)c1O ZINC001140182569 1314829222 /nfs/dbraw/zinc/82/92/22/1314829222.db2.gz VOODAMCMBVYXJI-UHFFFAOYSA-N 1 2 337.416 2.327 20 10 EECDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1c(C)ccc(C)c1O ZINC001140182569 1314829226 /nfs/dbraw/zinc/82/92/26/1314829226.db2.gz VOODAMCMBVYXJI-UHFFFAOYSA-N 1 2 337.416 2.327 20 10 EECDLO COc1ccc(CN2CC[NH+](CCc3ccccn3)CC2)c(O)c1 ZINC001203628083 1321926941 /nfs/dbraw/zinc/92/69/41/1321926941.db2.gz ZGNIAJJIIMOPDX-UHFFFAOYSA-N 1 2 327.428 2.156 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1O ZINC001204336277 1322114074 /nfs/dbraw/zinc/11/40/74/1322114074.db2.gz KSXRNTQVQTXNQO-SKDRFNHKSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c1O ZINC001204336277 1322114081 /nfs/dbraw/zinc/11/40/81/1322114081.db2.gz KSXRNTQVQTXNQO-SKDRFNHKSA-N 1 2 348.212 2.316 20 10 EECDLO O=S(=O)(Nc1ccc2c(c1)C[NH2+]C2)c1cccc2nsnc21 ZINC000386600542 1322668294 /nfs/dbraw/zinc/66/82/94/1322668294.db2.gz ZBFLGIJVTURIJU-UHFFFAOYSA-N 1 2 332.410 2.095 20 10 EECDLO [NH3+][C@@H]1CN(Cc2cc(Br)cc(F)c2O)CCC1(F)F ZINC001206685049 1323560151 /nfs/dbraw/zinc/56/01/51/1323560151.db2.gz WQSAHXPOIPDZQV-SNVBAGLBSA-N 1 2 339.155 2.462 20 10 EECDLO COC(=O)c1c(C[NH2+]Cc2c(O)cccc2F)snc1OC ZINC001308947446 1331609287 /nfs/dbraw/zinc/60/92/87/1331609287.db2.gz FGNAVACPWDUFFG-UHFFFAOYSA-N 1 2 326.349 2.073 20 10 EECDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001582816993 1344796211 /nfs/dbraw/zinc/79/62/11/1344796211.db2.gz WQSBHGJAJIVKOG-UHFFFAOYSA-N 1 2 340.771 2.111 20 10 EECDLO CCC(CC)(C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)C(=O)OC ZINC001590428256 1349320470 /nfs/dbraw/zinc/32/04/70/1349320470.db2.gz QMWPQPOAPAHICV-NSHDSACASA-N 1 2 347.419 2.202 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466695 1349341346 /nfs/dbraw/zinc/34/13/46/1349341346.db2.gz MABPXDWBVZEMBV-DOMZBBRYSA-N 1 2 344.463 2.486 20 10 EECDLO CCc1cnc(CC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)s1 ZINC001604537711 1350957262 /nfs/dbraw/zinc/95/72/62/1350957262.db2.gz VAWWMRVZNCQNHY-SNVBAGLBSA-N 1 2 344.444 2.485 20 10 EECDLO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)cnn1C ZINC001605483506 1351168655 /nfs/dbraw/zinc/16/86/55/1351168655.db2.gz FAPAJKUJLURBIX-NXEZZACHSA-N 1 2 327.392 2.026 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cn1 ZINC001607111565 1351422725 /nfs/dbraw/zinc/42/27/25/1351422725.db2.gz VNSNAIUZGQUBRX-UHFFFAOYSA-N 1 2 334.742 2.050 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Br)cc(F)c1O ZINC000840832368 783024741 /nfs/dbraw/zinc/02/47/41/783024741.db2.gz CDIMLHJNHMZRKK-JGVFFNPUSA-N 1 2 331.185 2.081 20 10 EECDLO C[N@H+](CCN1CCOCC1)Cc1cc(Br)cc(F)c1O ZINC000893996241 780375528 /nfs/dbraw/zinc/37/55/28/780375528.db2.gz WPPXCEGLSALKDI-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO C[N@@H+](CCN1CCOCC1)Cc1cc(Br)cc(F)c1O ZINC000893996241 780375538 /nfs/dbraw/zinc/37/55/38/780375538.db2.gz WPPXCEGLSALKDI-UHFFFAOYSA-N 1 2 347.228 2.058 20 10 EECDLO CCOCCOCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000922944125 788401974 /nfs/dbraw/zinc/40/19/74/788401974.db2.gz JUSONHJOTXZUCO-UHFFFAOYSA-N 1 2 336.201 2.437 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c1O ZINC000164241761 789116509 /nfs/dbraw/zinc/11/65/09/789116509.db2.gz YKQUUMXEPUTVID-QGZVFWFLSA-N 1 2 326.396 2.382 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c1O ZINC000164241761 789116516 /nfs/dbraw/zinc/11/65/16/789116516.db2.gz YKQUUMXEPUTVID-QGZVFWFLSA-N 1 2 326.396 2.382 20 10 EECDLO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715758159 795495265 /nfs/dbraw/zinc/49/52/65/795495265.db2.gz IRZUIGTUJRVOOX-RDDDGLTNSA-N 1 2 338.242 2.496 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(OCC)cc1O)[C@@H]1CCCOC1 ZINC000789578136 808070015 /nfs/dbraw/zinc/07/00/15/808070015.db2.gz AXSNMEZRNBJUBI-RHSMWYFYSA-N 1 2 337.416 2.239 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000790429931 808700671 /nfs/dbraw/zinc/70/06/71/808700671.db2.gz GYLVQLNCEHTKKN-GOSISDBHSA-N 1 2 347.503 2.458 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000790429931 808700677 /nfs/dbraw/zinc/70/06/77/808700677.db2.gz GYLVQLNCEHTKKN-GOSISDBHSA-N 1 2 347.503 2.458 20 10 EECDLO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)c(O)c1 ZINC000129161878 462692692 /nfs/dbraw/zinc/69/26/92/462692692.db2.gz ORSGERGJXDSXDP-MRXNPFEDSA-N 1 2 346.431 2.435 20 10 EECDLO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)c(O)c1 ZINC000129161878 462692698 /nfs/dbraw/zinc/69/26/98/462692698.db2.gz ORSGERGJXDSXDP-MRXNPFEDSA-N 1 2 346.431 2.435 20 10 EECDLO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3n[nH]c(CC)n3)C2)c(O)c1 ZINC000129161878 462692701 /nfs/dbraw/zinc/69/27/01/462692701.db2.gz ORSGERGJXDSXDP-MRXNPFEDSA-N 1 2 346.431 2.435 20 10 EECDLO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3n[nH]c(CC)n3)C2)c(O)c1 ZINC000129161878 462692706 /nfs/dbraw/zinc/69/27/06/462692706.db2.gz ORSGERGJXDSXDP-MRXNPFEDSA-N 1 2 346.431 2.435 20 10 EECDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)ccc(O)c1O ZINC000276708218 463727313 /nfs/dbraw/zinc/72/73/13/463727313.db2.gz QZASVCPJWZINDX-UHFFFAOYSA-N 1 2 346.358 2.321 20 10 EECDLO CCS(=O)(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000195157062 464006418 /nfs/dbraw/zinc/00/64/18/464006418.db2.gz OULAYSBCLZVWIU-UHFFFAOYSA-N 1 2 347.864 2.453 20 10 EECDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(F)c1 ZINC000186860366 464074229 /nfs/dbraw/zinc/07/42/29/464074229.db2.gz XJUUCLVLGOJSQN-HNNXBMFYSA-N 1 2 341.342 2.490 20 10 EECDLO COc1c(O)c(C[N@H+](CCCO)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000289422109 464078457 /nfs/dbraw/zinc/07/84/57/464078457.db2.gz JJQIPVQEEGKCKF-UHFFFAOYSA-N 1 2 347.371 2.089 20 10 EECDLO COc1c(O)c(C[N@@H+](CCCO)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000289422109 464078461 /nfs/dbraw/zinc/07/84/61/464078461.db2.gz JJQIPVQEEGKCKF-UHFFFAOYSA-N 1 2 347.371 2.089 20 10 EECDLO O=C([C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O)N1CCOCC1 ZINC000180029456 464226868 /nfs/dbraw/zinc/22/68/68/464226868.db2.gz GUIFXEDQLFEAFS-OAHLLOKOSA-N 1 2 338.835 2.259 20 10 EECDLO O=C([C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O)N1CCOCC1 ZINC000180029456 464226876 /nfs/dbraw/zinc/22/68/76/464226876.db2.gz GUIFXEDQLFEAFS-OAHLLOKOSA-N 1 2 338.835 2.259 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)cc1F ZINC000271322385 464292212 /nfs/dbraw/zinc/29/22/12/464292212.db2.gz YYHSTKKZTBDGQJ-UHFFFAOYSA-N 1 2 345.422 2.013 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O ZINC000293880611 464423921 /nfs/dbraw/zinc/42/39/21/464423921.db2.gz JSAIMEAENFOZIV-NSHDSACASA-N 1 2 347.864 2.311 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O ZINC000293880611 464423924 /nfs/dbraw/zinc/42/39/24/464423924.db2.gz JSAIMEAENFOZIV-NSHDSACASA-N 1 2 347.864 2.311 20 10 EECDLO CCCN1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C(C)(C)C1=O ZINC000190269263 464616561 /nfs/dbraw/zinc/61/65/61/464616561.db2.gz GOYGVPZBDHHLFU-UHFFFAOYSA-N 1 2 336.432 2.242 20 10 EECDLO CCCN1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C(C)(C)C1=O ZINC000190269263 464616567 /nfs/dbraw/zinc/61/65/67/464616567.db2.gz GOYGVPZBDHHLFU-UHFFFAOYSA-N 1 2 336.432 2.242 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000272503058 464636187 /nfs/dbraw/zinc/63/61/87/464636187.db2.gz DXVUSTMJUMZZLB-UHFFFAOYSA-N 1 2 338.455 2.428 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000272503058 464636194 /nfs/dbraw/zinc/63/61/94/464636194.db2.gz DXVUSTMJUMZZLB-UHFFFAOYSA-N 1 2 338.455 2.428 20 10 EECDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299723454 465869850 /nfs/dbraw/zinc/86/98/50/465869850.db2.gz SZAKGGKDXOFQBE-OAHLLOKOSA-N 1 2 326.444 2.457 20 10 EECDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299723454 465869857 /nfs/dbraw/zinc/86/98/57/465869857.db2.gz SZAKGGKDXOFQBE-OAHLLOKOSA-N 1 2 326.444 2.457 20 10 EECDLO CC[N@@H+]1CCO[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000377089623 467023818 /nfs/dbraw/zinc/02/38/18/467023818.db2.gz NTVFESLPVXGUHE-GFCCVEGCSA-N 1 2 333.215 2.036 20 10 EECDLO CC[N@H+]1CCO[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000377089623 467023820 /nfs/dbraw/zinc/02/38/20/467023820.db2.gz NTVFESLPVXGUHE-GFCCVEGCSA-N 1 2 333.215 2.036 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1COCCN1)c1cc(Br)cc(Cl)c1O ZINC000530228295 467965661 /nfs/dbraw/zinc/96/56/61/467965661.db2.gz ZTAMYEXHPKJPQA-SCZZXKLOSA-N 1 2 349.656 2.447 20 10 EECDLO CCCCN(CCO)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726715647 576291492 /nfs/dbraw/zinc/29/14/92/576291492.db2.gz UDOSMBBBMCYZDL-UHFFFAOYSA-N 1 2 349.475 2.468 20 10 EECDLO COCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000768884707 577564941 /nfs/dbraw/zinc/56/49/41/577564941.db2.gz NVAJNQCDQYEAOG-UHFFFAOYSA-N 1 2 347.242 2.426 20 10 EECDLO CC[N@@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCNC1=O ZINC000894661779 683020749 /nfs/dbraw/zinc/02/07/49/683020749.db2.gz FPCOCVQYOYDVSA-NSHDSACASA-N 1 2 331.185 2.004 20 10 EECDLO CCOc1ccc(O)c(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1 ZINC000877775831 1200092564 /nfs/dbraw/zinc/09/25/64/1200092564.db2.gz RFJFYSWKRIMXSN-HNNXBMFYSA-N 1 2 346.349 2.434 20 10 EECDLO CCOc1ccc(O)c(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1 ZINC000877775831 1200092572 /nfs/dbraw/zinc/09/25/72/1200092572.db2.gz RFJFYSWKRIMXSN-HNNXBMFYSA-N 1 2 346.349 2.434 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877776099 1200092649 /nfs/dbraw/zinc/09/26/49/1200092649.db2.gz YBRDNGBAOQALSI-HNNXBMFYSA-N 1 2 329.366 2.396 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877776099 1200092663 /nfs/dbraw/zinc/09/26/63/1200092663.db2.gz YBRDNGBAOQALSI-HNNXBMFYSA-N 1 2 329.366 2.396 20 10 EECDLO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883044795 1202001933 /nfs/dbraw/zinc/00/19/33/1202001933.db2.gz DHDZOVAFBFTVSR-NSHDSACASA-N 1 2 345.212 2.394 20 10 EECDLO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883139758 1202019409 /nfs/dbraw/zinc/01/94/09/1202019409.db2.gz ZFHCNUZDBZYLAT-XCBNKYQSSA-N 1 2 331.185 2.037 20 10 EECDLO C[N@H+](CC(=O)N1CCCC1)Cc1cccc(Br)c1O ZINC000132703147 1202119210 /nfs/dbraw/zinc/11/92/10/1202119210.db2.gz SVFVWJISKHVTFC-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cccc(Br)c1O ZINC000132703147 1202119212 /nfs/dbraw/zinc/11/92/12/1202119212.db2.gz SVFVWJISKHVTFC-UHFFFAOYSA-N 1 2 327.222 2.209 20 10 EECDLO Oc1cc(F)cc(F)c1CN1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001275307173 1205305271 /nfs/dbraw/zinc/30/52/71/1205305271.db2.gz YWHBNFBRJMXLAS-UHFFFAOYSA-N 1 2 348.397 2.075 20 10 EECDLO Oc1cc(F)cc(F)c1CN1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001275307173 1205305273 /nfs/dbraw/zinc/30/52/73/1205305273.db2.gz YWHBNFBRJMXLAS-UHFFFAOYSA-N 1 2 348.397 2.075 20 10 EECDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000925577069 1206130797 /nfs/dbraw/zinc/13/07/97/1206130797.db2.gz NQVUPIQMNCBQEY-QGZVFWFLSA-N 1 2 348.491 2.005 20 10 EECDLO CCOCc1cc(C[NH2+][C@@H](C)c2nnnn2C2CC2)ccc1OC ZINC000191820955 1210386519 /nfs/dbraw/zinc/38/65/19/1210386519.db2.gz NGWKVMRUDRMRRU-LBPRGKRZSA-N 1 2 331.420 2.404 20 10 EECDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827852042 1248831265 /nfs/dbraw/zinc/83/12/65/1248831265.db2.gz IJFHOFLHFBJLSK-IBGZPJMESA-N 1 2 345.487 2.322 20 10 EECDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827852042 1248831268 /nfs/dbraw/zinc/83/12/68/1248831268.db2.gz IJFHOFLHFBJLSK-IBGZPJMESA-N 1 2 345.487 2.322 20 10 EECDLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000858586894 1294161091 /nfs/dbraw/zinc/16/10/91/1294161091.db2.gz HTBMBUFOZKHCNP-HTQZYQBOSA-N 1 2 349.200 2.353 20 10 EECDLO O=C1c2ccc(O[C@@H]3C[NH2+]CC3(F)F)cc2C(=O)c2ccc(O)cc21 ZINC001218236480 1297611240 /nfs/dbraw/zinc/61/12/40/1297611240.db2.gz QNZNWCAZIUMXBW-OAHLLOKOSA-N 1 2 345.301 2.154 20 10 EECDLO Cc1cccc(C[N@@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC001231594208 1303860887 /nfs/dbraw/zinc/86/08/87/1303860887.db2.gz XXILWPGORUUOSF-HNNXBMFYSA-N 1 2 336.432 2.426 20 10 EECDLO Cc1cccc(C[N@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC001231594208 1303860889 /nfs/dbraw/zinc/86/08/89/1303860889.db2.gz XXILWPGORUUOSF-HNNXBMFYSA-N 1 2 336.432 2.426 20 10 EECDLO COC(=O)c1c(C[N@H+](C)Cc2cnn(C)c2)c2ccccc2n1C ZINC001232402529 1304107262 /nfs/dbraw/zinc/10/72/62/1304107262.db2.gz XIUCHVNQGIWPKG-UHFFFAOYSA-N 1 2 326.400 2.330 20 10 EECDLO COC(=O)c1c(C[N@@H+](C)Cc2cnn(C)c2)c2ccccc2n1C ZINC001232402529 1304107267 /nfs/dbraw/zinc/10/72/67/1304107267.db2.gz XIUCHVNQGIWPKG-UHFFFAOYSA-N 1 2 326.400 2.330 20 10 EECDLO COc1cc(Cl)cc(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c1O ZINC001233291323 1304418638 /nfs/dbraw/zinc/41/86/38/1304418638.db2.gz VWLRVUKCGITVQO-RYUDHWBXSA-N 1 2 340.851 2.348 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1)c1ccncc1 ZINC001233336367 1304434524 /nfs/dbraw/zinc/43/45/24/1304434524.db2.gz JNPCVZNYOIQXKE-CYBMUJFWSA-N 1 2 347.365 2.460 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1)c1ccncc1 ZINC001233336367 1304434528 /nfs/dbraw/zinc/43/45/28/1304434528.db2.gz JNPCVZNYOIQXKE-CYBMUJFWSA-N 1 2 347.365 2.460 20 10 EECDLO CCOCc1ncn2c1C[N@H+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001236810644 1305685078 /nfs/dbraw/zinc/68/50/78/1305685078.db2.gz IMWGXQKBKARWFD-UHFFFAOYSA-N 1 2 331.416 2.458 20 10 EECDLO CCOCc1ncn2c1C[N@@H+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001236810644 1305685085 /nfs/dbraw/zinc/68/50/85/1305685085.db2.gz IMWGXQKBKARWFD-UHFFFAOYSA-N 1 2 331.416 2.458 20 10 EECDLO Cn1cc2c(n1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001236920185 1305727945 /nfs/dbraw/zinc/72/79/45/1305727945.db2.gz SFRWUSFBLUOZEA-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO Cn1cc2c(n1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001236920185 1305727953 /nfs/dbraw/zinc/72/79/53/1305727953.db2.gz SFRWUSFBLUOZEA-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO C[C@]1(F)CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237203291 1305842295 /nfs/dbraw/zinc/84/22/95/1305842295.db2.gz RCQQUHVPKJQVNR-KRWDZBQOSA-N 1 2 340.464 2.245 20 10 EECDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237203291 1305842309 /nfs/dbraw/zinc/84/23/09/1305842309.db2.gz RCQQUHVPKJQVNR-KRWDZBQOSA-N 1 2 340.464 2.245 20 10 EECDLO O=C1CC2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)CC(=O)N1 ZINC001237806054 1306104252 /nfs/dbraw/zinc/10/42/52/1306104252.db2.gz QNVKTAXEAPOSBR-UHFFFAOYSA-N 1 2 340.782 2.204 20 10 EECDLO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581567 1314909185 /nfs/dbraw/zinc/90/91/85/1314909185.db2.gz ZEPDWQQJGKVXDG-TXEJJXNPSA-N 1 2 348.349 2.467 20 10 EECDLO O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581567 1314909186 /nfs/dbraw/zinc/90/91/86/1314909186.db2.gz ZEPDWQQJGKVXDG-TXEJJXNPSA-N 1 2 348.349 2.467 20 10 EECDLO CN(C1C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1)[C@@H]1CCOC1 ZINC001249252636 1317036778 /nfs/dbraw/zinc/03/67/78/1317036778.db2.gz OBUXOKSKBGBBLK-OAHLLOKOSA-N 1 2 344.455 2.481 20 10 EECDLO Cc1cc(C[NH+]2CC(N3CC(F)C3)C2)c(O)cc1Br ZINC001250120266 1317215907 /nfs/dbraw/zinc/21/59/07/1317215907.db2.gz AEDZHUCYNNTPCG-UHFFFAOYSA-N 1 2 329.213 2.301 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1ccccc1O ZINC001203551555 1321910408 /nfs/dbraw/zinc/91/04/08/1321910408.db2.gz ICWZCCYUMXHOBC-INIZCTEOSA-N 1 2 328.416 2.140 20 10 EECDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1ccccc1O ZINC001203551555 1321910411 /nfs/dbraw/zinc/91/04/11/1321910411.db2.gz ICWZCCYUMXHOBC-INIZCTEOSA-N 1 2 328.416 2.140 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203657741 1321934408 /nfs/dbraw/zinc/93/44/08/1321934408.db2.gz MWYPXDWNORYMLB-ZDUSSCGKSA-N 1 2 325.792 2.390 20 10 EECDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203657741 1321934409 /nfs/dbraw/zinc/93/44/09/1321934409.db2.gz MWYPXDWNORYMLB-ZDUSSCGKSA-N 1 2 325.792 2.390 20 10 EECDLO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589551607 1349003593 /nfs/dbraw/zinc/00/35/93/1349003593.db2.gz ATICVAGSBWASFG-CHWSQXEVSA-N 1 2 333.436 2.268 20 10 EECDLO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001589978986 1349090781 /nfs/dbraw/zinc/09/07/81/1349090781.db2.gz UDGQTATZSWDIAZ-XHDPSFHLSA-N 1 2 331.420 2.020 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000066313599 776953403 /nfs/dbraw/zinc/95/34/03/776953403.db2.gz FWBPBPUPBZRNJJ-IRXDYDNUSA-N 1 2 345.487 2.322 20 10 EECDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000894054258 780471446 /nfs/dbraw/zinc/47/14/46/780471446.db2.gz KIXOJYOJFCGBMI-KGLIPLIRSA-N 1 2 333.400 2.458 20 10 EECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000894054258 780471450 /nfs/dbraw/zinc/47/14/50/780471450.db2.gz KIXOJYOJFCGBMI-KGLIPLIRSA-N 1 2 333.400 2.458 20 10 EECDLO CN1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CC1=O ZINC000708171636 786764294 /nfs/dbraw/zinc/76/42/94/786764294.db2.gz MRIHMSPMIINRLW-SECBINFHSA-N 1 2 333.613 2.128 20 10 EECDLO COCC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715818168 795538039 /nfs/dbraw/zinc/53/80/39/795538039.db2.gz MQEZHLKEZIKEFA-ZDUSSCGKSA-N 1 2 336.201 2.171 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000103134634 803660293 /nfs/dbraw/zinc/66/02/93/803660293.db2.gz GJZOVGPUBLDILM-QGZVFWFLSA-N 1 2 345.395 2.391 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000103134634 803660296 /nfs/dbraw/zinc/66/02/96/803660296.db2.gz GJZOVGPUBLDILM-QGZVFWFLSA-N 1 2 345.395 2.391 20 10 EECDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175080 809638737 /nfs/dbraw/zinc/63/87/37/809638737.db2.gz MVGVZIHCLDZUIX-SNVBAGLBSA-N 1 2 327.787 2.221 20 10 EECDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175080 809638745 /nfs/dbraw/zinc/63/87/45/809638745.db2.gz MVGVZIHCLDZUIX-SNVBAGLBSA-N 1 2 327.787 2.221 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000066313582 462872911 /nfs/dbraw/zinc/87/29/11/462872911.db2.gz FARRBTUDFWYIJN-MRXNPFEDSA-N 1 2 331.460 2.218 20 10 EECDLO CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cccc(Cl)c1O ZINC000287100448 463799628 /nfs/dbraw/zinc/79/96/28/463799628.db2.gz QBBHCBGKTIYANU-GFCCVEGCSA-N 1 2 338.795 2.165 20 10 EECDLO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000289774662 464094092 /nfs/dbraw/zinc/09/40/92/464094092.db2.gz RKINQFHLEBNCHE-RISCZKNCSA-N 1 2 346.880 2.243 20 10 EECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000273435825 464715770 /nfs/dbraw/zinc/71/57/70/464715770.db2.gz XAHKHDIWLKBUSV-LBPRGKRZSA-N 1 2 344.415 2.348 20 10 EECDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000177257162 464970976 /nfs/dbraw/zinc/97/09/76/464970976.db2.gz KEAOESDQHCPOIF-AWEZNQCLSA-N 1 2 338.379 2.444 20 10 EECDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000177257162 464970981 /nfs/dbraw/zinc/97/09/81/464970981.db2.gz KEAOESDQHCPOIF-AWEZNQCLSA-N 1 2 338.379 2.444 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000738323317 578009452 /nfs/dbraw/zinc/00/94/52/578009452.db2.gz GAEBAJMPKZAKHM-UHFFFAOYSA-N 1 2 339.439 2.133 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000738323317 578009453 /nfs/dbraw/zinc/00/94/53/578009453.db2.gz GAEBAJMPKZAKHM-UHFFFAOYSA-N 1 2 339.439 2.133 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+](C)CC(=O)NCc2ccccc2)c1O ZINC000750820841 577743167 /nfs/dbraw/zinc/74/31/67/577743167.db2.gz FXLUTHCDGLTNQA-UHFFFAOYSA-N 1 2 344.386 2.482 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(=O)NCc2ccccc2)c1O ZINC000750820841 577743168 /nfs/dbraw/zinc/74/31/68/577743168.db2.gz FXLUTHCDGLTNQA-UHFFFAOYSA-N 1 2 344.386 2.482 20 10 EECDLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756355687 577842647 /nfs/dbraw/zinc/84/26/47/577842647.db2.gz QTSPTRFMGONMTN-SFYZADRCSA-N 1 2 333.201 2.469 20 10 EECDLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1O ZINC000756527840 577845822 /nfs/dbraw/zinc/84/58/22/577845822.db2.gz RHFVIASOWTUXHS-IONNQARKSA-N 1 2 331.185 2.175 20 10 EECDLO COc1ccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c(O)c1OC ZINC000892202437 678248162 /nfs/dbraw/zinc/24/81/62/678248162.db2.gz SISNJEOYLUZGOR-NSHDSACASA-N 1 2 348.365 2.478 20 10 EECDLO C[C@H](Sc1nccs1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000052914495 679409433 /nfs/dbraw/zinc/40/94/33/679409433.db2.gz VYQCJHCJLVNSEI-LBPRGKRZSA-N 1 2 334.470 2.368 20 10 EECDLO COc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)c(O)c1OC ZINC000892639589 682042504 /nfs/dbraw/zinc/04/25/04/682042504.db2.gz AVEQVJKSMXTWBP-UHFFFAOYSA-N 1 2 345.399 2.253 20 10 EECDLO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272903126 1193598445 /nfs/dbraw/zinc/59/84/45/1193598445.db2.gz NIHZQXIRCMXEHF-OAHLLOKOSA-N 1 2 344.333 2.227 20 10 EECDLO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903126 1193598447 /nfs/dbraw/zinc/59/84/47/1193598447.db2.gz NIHZQXIRCMXEHF-OAHLLOKOSA-N 1 2 344.333 2.227 20 10 EECDLO CCn1ncnc1CN[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877033706 1199850228 /nfs/dbraw/zinc/85/02/28/1199850228.db2.gz KQSVMLRAPUADJW-HNNXBMFYSA-N 1 2 349.866 2.411 20 10 EECDLO CCn1ncnc1CN[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877033706 1199850230 /nfs/dbraw/zinc/85/02/30/1199850230.db2.gz KQSVMLRAPUADJW-HNNXBMFYSA-N 1 2 349.866 2.411 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000883016083 1201996773 /nfs/dbraw/zinc/99/67/73/1201996773.db2.gz NFZRXZPSHHPNMV-ZDUSSCGKSA-N 1 2 348.212 2.171 20 10 EECDLO O=C1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CN1C1CC1 ZINC000883027786 1201998685 /nfs/dbraw/zinc/99/86/85/1201998685.db2.gz OQYNKRYBBNBHNP-SNVBAGLBSA-N 1 2 343.196 2.147 20 10 EECDLO O=C1N(C2CCCC2)CC[C@@]12CCC[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001274835989 1205183699 /nfs/dbraw/zinc/18/36/99/1205183699.db2.gz CNELXFJFKKZDRT-IBGZPJMESA-N 1 2 346.427 2.313 20 10 EECDLO O=C1N(C2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001274835989 1205183700 /nfs/dbraw/zinc/18/37/00/1205183700.db2.gz CNELXFJFKKZDRT-IBGZPJMESA-N 1 2 346.427 2.313 20 10 EECDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001275952331 1205600322 /nfs/dbraw/zinc/60/03/22/1205600322.db2.gz CWUMDVGVWQDPDU-OKILXGFUSA-N 1 2 331.441 2.321 20 10 EECDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1O ZINC001275952331 1205600323 /nfs/dbraw/zinc/60/03/23/1205600323.db2.gz CWUMDVGVWQDPDU-OKILXGFUSA-N 1 2 331.441 2.321 20 10 EECDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001276833448 1299803180 /nfs/dbraw/zinc/80/31/80/1299803180.db2.gz NOMNEVUQKFXXTB-UHFFFAOYSA-N 1 2 347.440 2.029 20 10 EECDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001276833448 1299803201 /nfs/dbraw/zinc/80/32/01/1299803201.db2.gz NOMNEVUQKFXXTB-UHFFFAOYSA-N 1 2 347.440 2.029 20 10 EECDLO Cc1cc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2nnco2)ccc1N(C)C ZINC001276928994 1300313742 /nfs/dbraw/zinc/31/37/42/1300313742.db2.gz HQHFDMHWUZBFAN-KDOFPFPSSA-N 1 2 341.415 2.047 20 10 EECDLO Cc1cc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2nnco2)ccc1N(C)C ZINC001276928994 1300313748 /nfs/dbraw/zinc/31/37/48/1300313748.db2.gz HQHFDMHWUZBFAN-KDOFPFPSSA-N 1 2 341.415 2.047 20 10 EECDLO COCC[NH+]1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000781895441 1303891615 /nfs/dbraw/zinc/89/16/15/1303891615.db2.gz SBXUIWGZHUEDHK-UHFFFAOYSA-N 1 2 343.265 2.227 20 10 EECDLO Cc1cc(C)nc(N2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)n1 ZINC001233334534 1304435058 /nfs/dbraw/zinc/43/50/58/1304435058.db2.gz KWBSWUMVNAHCHT-UHFFFAOYSA-N 1 2 334.370 2.399 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cccc(C(F)(F)F)c3O)[C@H]2C1 ZINC001233416489 1304461973 /nfs/dbraw/zinc/46/19/73/1304461973.db2.gz KCPSUWLYMOYHDE-LEWSCRJBSA-N 1 2 331.334 2.383 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cccc(C(F)(F)F)c3O)[C@H]2C1 ZINC001233416489 1304461979 /nfs/dbraw/zinc/46/19/79/1304461979.db2.gz KCPSUWLYMOYHDE-LEWSCRJBSA-N 1 2 331.334 2.383 20 10 EECDLO OC[C@@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236926187 1305730662 /nfs/dbraw/zinc/73/06/62/1305730662.db2.gz BYFFSBLNTXYRAZ-MRXNPFEDSA-N 1 2 328.815 2.083 20 10 EECDLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236926187 1305730670 /nfs/dbraw/zinc/73/06/70/1305730670.db2.gz BYFFSBLNTXYRAZ-MRXNPFEDSA-N 1 2 328.815 2.083 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(OCC)cc2O)Cc2nnn(C)c21 ZINC001237042180 1305775672 /nfs/dbraw/zinc/77/56/72/1305775672.db2.gz XRMORKLOIHSKAG-CQSZACIVSA-N 1 2 346.431 2.055 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(OCC)cc2O)Cc2nnn(C)c21 ZINC001237042180 1305775683 /nfs/dbraw/zinc/77/56/83/1305775683.db2.gz XRMORKLOIHSKAG-CQSZACIVSA-N 1 2 346.431 2.055 20 10 EECDLO Oc1ccc(F)cc1C[N@@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000828101304 1314446430 /nfs/dbraw/zinc/44/64/30/1314446430.db2.gz WKMMFXXZNZVTFC-UHFFFAOYSA-N 1 2 328.391 2.480 20 10 EECDLO Oc1ccc(F)cc1C[N@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000828101304 1314446435 /nfs/dbraw/zinc/44/64/35/1314446435.db2.gz WKMMFXXZNZVTFC-UHFFFAOYSA-N 1 2 328.391 2.480 20 10 EECDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2c(O)cccc2F)C1 ZINC001137839800 1314500240 /nfs/dbraw/zinc/50/02/40/1314500240.db2.gz KNBPLTNDGXTDOA-QWHCGFSZSA-N 1 2 347.390 2.484 20 10 EECDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137839800 1314500244 /nfs/dbraw/zinc/50/02/44/1314500244.db2.gz KNBPLTNDGXTDOA-QWHCGFSZSA-N 1 2 347.390 2.484 20 10 EECDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1ccc(O)c(C)c1O)CCC2 ZINC001140742705 1314953347 /nfs/dbraw/zinc/95/33/47/1314953347.db2.gz WCUKPGRQJUZMLZ-UHFFFAOYSA-N 1 2 345.399 2.185 20 10 EECDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1ccc(O)c(C)c1O)CCC2 ZINC001140742705 1314953349 /nfs/dbraw/zinc/95/33/49/1314953349.db2.gz WCUKPGRQJUZMLZ-UHFFFAOYSA-N 1 2 345.399 2.185 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)c(OC)c1 ZINC001141029208 1315020409 /nfs/dbraw/zinc/02/04/09/1315020409.db2.gz MFHNPSQKEXVJIU-GOSISDBHSA-N 1 2 330.384 2.378 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccn3)C2)c(OC)c1 ZINC001141029208 1315020412 /nfs/dbraw/zinc/02/04/12/1315020412.db2.gz MFHNPSQKEXVJIU-GOSISDBHSA-N 1 2 330.384 2.378 20 10 EECDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2c(O)ccc(F)c2F)n(C)n1 ZINC001276472266 1322173163 /nfs/dbraw/zinc/17/31/63/1322173163.db2.gz LGHHZHVCUBOQNI-OKILXGFUSA-N 1 2 348.397 2.171 20 10 EECDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2c(O)ccc(F)c2F)n(C)n1 ZINC001276472266 1322173166 /nfs/dbraw/zinc/17/31/66/1322173166.db2.gz LGHHZHVCUBOQNI-OKILXGFUSA-N 1 2 348.397 2.171 20 10 EECDLO CCn1ccnc1CN1CC2(C1)C[NH+](Cc1cccc(F)c1O)C2 ZINC001276537423 1323998901 /nfs/dbraw/zinc/99/89/01/1323998901.db2.gz GWXDCXBBGJPAMZ-UHFFFAOYSA-N 1 2 330.407 2.066 20 10 EECDLO C[NH+]1CCN(c2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2F)CC1 ZINC001332340757 1335806607 /nfs/dbraw/zinc/80/66/07/1335806607.db2.gz ZSMMDBKRZSZBRR-UHFFFAOYSA-N 1 2 346.494 2.294 20 10 EECDLO C[C@H]([NH2+]CCOCC1CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589961492 1349082016 /nfs/dbraw/zinc/08/20/16/1349082016.db2.gz BYCCGRVFQAUIKI-LBPRGKRZSA-N 1 2 331.420 2.430 20 10 EECDLO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)cc1 ZINC001592196282 1349604081 /nfs/dbraw/zinc/60/40/81/1349604081.db2.gz LMVPDPBRSQQNQH-LRDDRELGSA-N 1 2 339.399 2.265 20 10 EECDLO c1sc(C[NH2+]Cc2ccc(N3CCCC3)cc2)nc1-c1nn[nH]n1 ZINC001593558779 1349848223 /nfs/dbraw/zinc/84/82/23/1349848223.db2.gz HCZJPYWFBCRAFU-UHFFFAOYSA-N 1 2 341.444 2.213 20 10 EECDLO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1O ZINC001603655869 1350734855 /nfs/dbraw/zinc/73/48/55/1350734855.db2.gz CFNFYLDHXFXBOB-DGCLKSJQSA-N 1 2 337.383 2.227 20 10 EECDLO CC[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1cccc(Cl)c1O ZINC000886704623 1369648749 /nfs/dbraw/zinc/64/87/49/1369648749.db2.gz KMNYWZRQXLABAS-NSHDSACASA-N 1 2 333.779 2.018 20 10 EECDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)c(OC)c1 ZINC001138387363 1372388689 /nfs/dbraw/zinc/38/86/89/1372388689.db2.gz CSRLZQQYOMRMOX-UHFFFAOYSA-N 1 2 348.491 2.341 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c(OC)c1 ZINC001141030616 1372744754 /nfs/dbraw/zinc/74/47/54/1372744754.db2.gz DMBFJFURXJUELS-UHFFFAOYSA-N 1 2 336.432 2.100 20 10 EECDLO Oc1cccc(OC(F)(F)F)c1CN1CC[NH2+]CC(F)(F)C1 ZINC001211348234 759375643 /nfs/dbraw/zinc/37/56/43/759375643.db2.gz VTKDGMPDMVJTNP-UHFFFAOYSA-N 1 2 326.265 2.331 20 10 EECDLO Oc1c(CN2CC[NH2+]CC(F)(F)C2)cccc1OC(F)(F)F ZINC001211348278 759375915 /nfs/dbraw/zinc/37/59/15/759375915.db2.gz WQKSUENDUSGYFD-UHFFFAOYSA-N 1 2 326.265 2.331 20 10 EECDLO CC[N@H+](Cc1cccc(I)c1O)C1COC1 ZINC001237780427 782778321 /nfs/dbraw/zinc/77/83/21/782778321.db2.gz OGTPHJOWRIUYAQ-UHFFFAOYSA-N 1 2 333.169 2.218 20 10 EECDLO CC[N@@H+](Cc1cccc(I)c1O)C1COC1 ZINC001237780427 782778329 /nfs/dbraw/zinc/77/83/29/782778329.db2.gz OGTPHJOWRIUYAQ-UHFFFAOYSA-N 1 2 333.169 2.218 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)CC(C)(C)O)CC2)c(C)c(C)[nH+]1 ZINC001089827149 777140557 /nfs/dbraw/zinc/14/05/57/777140557.db2.gz FKDMQHRYQIREPU-UHFFFAOYSA-N 1 2 346.475 2.206 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)c3cnco3)CC2)c(C)c(C)[nH+]1 ZINC001089850756 778029903 /nfs/dbraw/zinc/02/99/03/778029903.db2.gz GGJSKZKAVHDFNC-UHFFFAOYSA-N 1 2 341.415 2.346 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984272 785135069 /nfs/dbraw/zinc/13/50/69/785135069.db2.gz XCPPESYZQZXEFE-WPRPVWTQSA-N 1 2 349.656 2.447 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000825279672 788548920 /nfs/dbraw/zinc/54/89/20/788548920.db2.gz UCOKVNFOLLQKMJ-GFCCVEGCSA-N 1 2 329.803 2.420 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000825279672 788548925 /nfs/dbraw/zinc/54/89/25/788548925.db2.gz UCOKVNFOLLQKMJ-GFCCVEGCSA-N 1 2 329.803 2.420 20 10 EECDLO O=C(c1cccc(O)c1O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001148218997 792253861 /nfs/dbraw/zinc/25/38/61/792253861.db2.gz QNQPQUSMZMSJFJ-ZDUSSCGKSA-N 1 2 326.343 2.043 20 10 EECDLO CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(Cl)c1O ZINC000806140079 811764358 /nfs/dbraw/zinc/76/43/58/811764358.db2.gz GSWBTPNCXJLNAB-ZDUSSCGKSA-N 1 2 347.864 2.026 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000277321036 463908562 /nfs/dbraw/zinc/90/85/62/463908562.db2.gz DDGXHNFKPIWFID-OAHLLOKOSA-N 1 2 328.416 2.170 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000277321036 463908564 /nfs/dbraw/zinc/90/85/64/463908564.db2.gz DDGXHNFKPIWFID-OAHLLOKOSA-N 1 2 328.416 2.170 20 10 EECDLO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187874318 464170002 /nfs/dbraw/zinc/17/00/02/464170002.db2.gz CBPMAOMAWJOIMY-RISCZKNCSA-N 1 2 344.402 2.498 20 10 EECDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000180036708 464228768 /nfs/dbraw/zinc/22/87/68/464228768.db2.gz XDYFEHAEPLPRAT-LBPRGKRZSA-N 1 2 327.222 2.174 20 10 EECDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000180036708 464228771 /nfs/dbraw/zinc/22/87/71/464228771.db2.gz XDYFEHAEPLPRAT-LBPRGKRZSA-N 1 2 327.222 2.174 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3nccc(OC)c3OC)CC2)cc1 ZINC000190307375 464619800 /nfs/dbraw/zinc/61/98/00/464619800.db2.gz KXOUUVFYOTVPEX-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)cc1OC ZINC000375018574 466771118 /nfs/dbraw/zinc/77/11/18/466771118.db2.gz JSRLHVXZDABFGD-AWEZNQCLSA-N 1 2 347.415 2.323 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)cc1OC ZINC000375018574 466771124 /nfs/dbraw/zinc/77/11/24/466771124.db2.gz JSRLHVXZDABFGD-AWEZNQCLSA-N 1 2 347.415 2.323 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)cc1F ZINC000084866806 534015458 /nfs/dbraw/zinc/01/54/58/534015458.db2.gz FYRFKBIVZATTFV-GOSISDBHSA-N 1 2 343.402 2.183 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)[C@H]4CCCCN4C3=O)CC2)cc1 ZINC000777634644 577483715 /nfs/dbraw/zinc/48/37/15/577483715.db2.gz SOFCKUSGWXJEAB-QGZVFWFLSA-N 1 2 343.427 2.481 20 10 EECDLO Cn1ncc2c1nc[nH+]c2NCc1cccc(Br)c1O ZINC000764935788 577491227 /nfs/dbraw/zinc/49/12/27/577491227.db2.gz FZIDPYJVLKFPBU-UHFFFAOYSA-N 1 2 334.177 2.444 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1 ZINC000765685977 577505092 /nfs/dbraw/zinc/50/50/92/577505092.db2.gz VSFFKGHNOQLYID-UHFFFAOYSA-N 1 2 330.359 2.389 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1 ZINC000765685977 577505093 /nfs/dbraw/zinc/50/50/93/577505093.db2.gz VSFFKGHNOQLYID-UHFFFAOYSA-N 1 2 330.359 2.389 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000769557657 577580566 /nfs/dbraw/zinc/58/05/66/577580566.db2.gz RPIJLARPGSIYIQ-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000769557657 577580567 /nfs/dbraw/zinc/58/05/67/577580567.db2.gz RPIJLARPGSIYIQ-OAHLLOKOSA-N 1 2 342.233 2.454 20 10 EECDLO Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(C)[nH+]1 ZINC000769978941 577588400 /nfs/dbraw/zinc/58/84/00/577588400.db2.gz TWGFWXGSSLIDKB-UHFFFAOYSA-N 1 2 335.385 2.028 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N3CCOC[C@H](C)C3)CC2)cc1 ZINC000754638538 577809847 /nfs/dbraw/zinc/80/98/47/577809847.db2.gz CMHVNVUQSHDTAA-OAHLLOKOSA-N 1 2 347.459 2.342 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)cc(F)c1O ZINC000756434928 577844156 /nfs/dbraw/zinc/84/41/56/577844156.db2.gz ROQSMEYKIXQMTA-WCBMZHEXSA-N 1 2 334.185 2.360 20 10 EECDLO CCC[N@H+](CC(=O)OCC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092380429 676900312 /nfs/dbraw/zinc/90/03/12/676900312.db2.gz XDPROUPPLDDZMO-UHFFFAOYSA-N 1 2 338.423 2.437 20 10 EECDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092380429 676900313 /nfs/dbraw/zinc/90/03/13/676900313.db2.gz XDPROUPPLDDZMO-UHFFFAOYSA-N 1 2 338.423 2.437 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000894540035 682961414 /nfs/dbraw/zinc/96/14/14/682961414.db2.gz AUEUCUCWUIYRJA-CZUORRHYSA-N 1 2 337.416 2.157 20 10 EECDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895921209 684780141 /nfs/dbraw/zinc/78/01/41/684780141.db2.gz OBVRBUPAEHBFLW-QLFBSQMISA-N 1 2 349.450 2.102 20 10 EECDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895921209 684780142 /nfs/dbraw/zinc/78/01/42/684780142.db2.gz OBVRBUPAEHBFLW-QLFBSQMISA-N 1 2 349.450 2.102 20 10 EECDLO COc1ccc(N2CCN(Cc3c[nH+]c4n3CCC4)CC2)c(OC)c1 ZINC000877708137 1200044967 /nfs/dbraw/zinc/04/49/67/1200044967.db2.gz BEGJKMGLKCNOAQ-UHFFFAOYSA-N 1 2 342.443 2.169 20 10 EECDLO OCc1cc[nH+]c(NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000882439416 1201871793 /nfs/dbraw/zinc/87/17/93/1201871793.db2.gz KLTDSGSWDFZTSM-UHFFFAOYSA-N 1 2 335.354 2.301 20 10 EECDLO COc1ccc([N@@H+]2CCC[C@]3(CCN(C4COC4)C3=O)CC2)cc1 ZINC001274791006 1205163263 /nfs/dbraw/zinc/16/32/63/1205163263.db2.gz NDOZMTDTQCSHCZ-LJQANCHMSA-N 1 2 330.428 2.303 20 10 EECDLO COc1ccc([N@H+]2CCC[C@]3(CCN(C4COC4)C3=O)CC2)cc1 ZINC001274791006 1205163265 /nfs/dbraw/zinc/16/32/65/1205163265.db2.gz NDOZMTDTQCSHCZ-LJQANCHMSA-N 1 2 330.428 2.303 20 10 EECDLO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837306 1205180743 /nfs/dbraw/zinc/18/07/43/1205180743.db2.gz VYDCLIYYAHYISX-SFHVURJKSA-N 1 2 334.416 2.170 20 10 EECDLO CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1=O ZINC001274837306 1205180746 /nfs/dbraw/zinc/18/07/46/1205180746.db2.gz VYDCLIYYAHYISX-SFHVURJKSA-N 1 2 334.416 2.170 20 10 EECDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)N1CCOCC1 ZINC000048795042 1208504388 /nfs/dbraw/zinc/50/43/88/1208504388.db2.gz XGBAIFVQYRJZEJ-UHFFFAOYSA-N 1 2 343.265 2.355 20 10 EECDLO Oc1cccc(Br)c1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000862413065 1295836810 /nfs/dbraw/zinc/83/68/10/1295836810.db2.gz HFQGGOWJLPKICE-LBPRGKRZSA-N 1 2 341.249 2.061 20 10 EECDLO COc1cc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c(O)cc1O ZINC001231637143 1303873489 /nfs/dbraw/zinc/87/34/89/1303873489.db2.gz GBRNWIDTZDYQTI-INIZCTEOSA-N 1 2 345.395 2.386 20 10 EECDLO COc1cc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c(O)cc1O ZINC001231637143 1303873494 /nfs/dbraw/zinc/87/34/94/1303873494.db2.gz GBRNWIDTZDYQTI-INIZCTEOSA-N 1 2 345.395 2.386 20 10 EECDLO COC(=O)[C@H]1COCCC12C[NH+](Cc1cccc(Cl)c1O)C2 ZINC001231912232 1303945525 /nfs/dbraw/zinc/94/55/25/1303945525.db2.gz AGDLBRWEKIDJCQ-GFCCVEGCSA-N 1 2 325.792 2.057 20 10 EECDLO COc1cc(O)c(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)cc1Cl ZINC001232271106 1304060516 /nfs/dbraw/zinc/06/05/16/1304060516.db2.gz NKACZJOQHMOHOX-VXGBXAGGSA-N 1 2 340.851 2.348 20 10 EECDLO Cc1cc(Br)c(O)c(C[NH+]2CC(N3CC(F)C3)C2)c1 ZINC001236673656 1305631647 /nfs/dbraw/zinc/63/16/47/1305631647.db2.gz NKPLNMCLNZROPS-UHFFFAOYSA-N 1 2 329.213 2.301 20 10 EECDLO C[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CC(=O)N1 ZINC001236779252 1305673891 /nfs/dbraw/zinc/67/38/91/1305673891.db2.gz RYISGJKYRPNHCT-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC(=O)N1 ZINC001236779252 1305673898 /nfs/dbraw/zinc/67/38/98/1305673898.db2.gz RYISGJKYRPNHCT-CQSZACIVSA-N 1 2 326.396 2.292 20 10 EECDLO COc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1Cl ZINC001236812818 1305687795 /nfs/dbraw/zinc/68/77/95/1305687795.db2.gz HWIDEMCRFLZMLC-CQSZACIVSA-N 1 2 340.851 2.351 20 10 EECDLO COCC(=O)NC1CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237080813 1305789263 /nfs/dbraw/zinc/78/92/63/1305789263.db2.gz FUXHFFXJLXLNQW-UHFFFAOYSA-N 1 2 347.242 2.426 20 10 EECDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)cc(F)c2O)O1 ZINC001237620349 1306009131 /nfs/dbraw/zinc/00/91/31/1306009131.db2.gz XIXCKWUZMDHMPB-MCIONIFRSA-N 1 2 342.798 2.005 20 10 EECDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)cc(F)c2O)O1 ZINC001237620349 1306009143 /nfs/dbraw/zinc/00/91/43/1306009143.db2.gz XIXCKWUZMDHMPB-MCIONIFRSA-N 1 2 342.798 2.005 20 10 EECDLO COC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247629780 1310655438 /nfs/dbraw/zinc/65/54/38/1310655438.db2.gz CTEMGNVSBZPHHM-HNNXBMFYSA-N 1 2 340.383 2.187 20 10 EECDLO Cc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2F)n(C)n1 ZINC001140661754 1314924194 /nfs/dbraw/zinc/92/41/94/1314924194.db2.gz RAIYOSOQONHBBT-UHFFFAOYSA-N 1 2 332.423 2.336 20 10 EECDLO Cc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2F)n(C)n1 ZINC001140661754 1314924195 /nfs/dbraw/zinc/92/41/95/1314924195.db2.gz RAIYOSOQONHBBT-UHFFFAOYSA-N 1 2 332.423 2.336 20 10 EECDLO COc1ccc(O)c(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1 ZINC001203678669 1321939110 /nfs/dbraw/zinc/93/91/10/1321939110.db2.gz QVOVNCDORWCHDS-UONOGXRCSA-N 1 2 340.395 2.448 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1 ZINC001203678669 1321939114 /nfs/dbraw/zinc/93/91/14/1321939114.db2.gz QVOVNCDORWCHDS-UONOGXRCSA-N 1 2 340.395 2.448 20 10 EECDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1cc(O)c(O)cc1O)C2 ZINC001276516748 1323905966 /nfs/dbraw/zinc/90/59/66/1323905966.db2.gz OTNOSOJUISHBJH-UHFFFAOYSA-N 1 2 347.440 2.029 20 10 EECDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1cc(O)c(O)cc1O)C2 ZINC001276516748 1323905970 /nfs/dbraw/zinc/90/59/70/1323905970.db2.gz OTNOSOJUISHBJH-UHFFFAOYSA-N 1 2 347.440 2.029 20 10 EECDLO Cc1cc(CN2CCC23C[NH+](Cc2cccc(F)c2O)C3)n(C)n1 ZINC001276538704 1324006994 /nfs/dbraw/zinc/00/69/94/1324006994.db2.gz GAQGXXOXFKINFE-UHFFFAOYSA-N 1 2 330.407 2.034 20 10 EECDLO Nc1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC001336116218 1336483166 /nfs/dbraw/zinc/48/31/66/1336483166.db2.gz CZLZGLBHFBXEJE-UHFFFAOYSA-N 1 2 343.378 2.461 20 10 EECDLO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603845479 1350781387 /nfs/dbraw/zinc/78/13/87/1350781387.db2.gz DIWPEPPISVBZDI-FRRDWIJNSA-N 1 2 331.420 2.428 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000852434425 1369271223 /nfs/dbraw/zinc/27/12/23/1369271223.db2.gz YZMILGZWMGXLGA-ZDUSSCGKSA-N 1 2 338.791 2.275 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000852434425 1369271226 /nfs/dbraw/zinc/27/12/26/1369271226.db2.gz YZMILGZWMGXLGA-ZDUSSCGKSA-N 1 2 338.791 2.275 20 10 EECDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(=O)N(C)C ZINC000708159040 786754088 /nfs/dbraw/zinc/75/40/88/786754088.db2.gz VARZDJOOZTVTFI-SSDOTTSWSA-N 1 2 335.629 2.374 20 10 EECDLO CC(C)N1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1=O ZINC000715737943 795491913 /nfs/dbraw/zinc/49/19/13/795491913.db2.gz ORFDDFINXBGJHT-LBPRGKRZSA-N 1 2 345.212 2.393 20 10 EECDLO O=C(Cn1cc[nH+]c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000788632292 807614691 /nfs/dbraw/zinc/61/46/91/807614691.db2.gz PLXGCMGDBGPKSW-UHFFFAOYSA-N 1 2 331.331 2.297 20 10 EECDLO Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(O)c1O ZINC000179547278 464154972 /nfs/dbraw/zinc/15/49/72/464154972.db2.gz DAAJHTVENLFYBZ-ZDUSSCGKSA-N 1 2 329.400 2.235 20 10 EECDLO COC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000189475001 464514747 /nfs/dbraw/zinc/51/47/47/464514747.db2.gz VZKCBKLSSSQOCM-QMTHXVAHSA-N 1 2 327.808 2.484 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000189475001 464514749 /nfs/dbraw/zinc/51/47/49/464514749.db2.gz VZKCBKLSSSQOCM-QMTHXVAHSA-N 1 2 327.808 2.484 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCc3c[nH]nc3C)CC2)cc1 ZINC000727238223 576414677 /nfs/dbraw/zinc/41/46/77/576414677.db2.gz PUZPFLFCXFHJIC-UHFFFAOYSA-N 1 2 343.431 2.195 20 10 EECDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732276893 577163815 /nfs/dbraw/zinc/16/38/15/577163815.db2.gz VPSUSDGBPBQDAR-AWEZNQCLSA-N 1 2 345.424 2.156 20 10 EECDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732276893 577163817 /nfs/dbraw/zinc/16/38/17/577163817.db2.gz VPSUSDGBPBQDAR-AWEZNQCLSA-N 1 2 345.424 2.156 20 10 EECDLO COc1c(O)c(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000775077324 577428999 /nfs/dbraw/zinc/42/89/99/577428999.db2.gz BKQAKEOQYXYFJQ-SNVBAGLBSA-N 1 2 339.392 2.044 20 10 EECDLO COc1c(O)c(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000775077324 577429000 /nfs/dbraw/zinc/42/90/00/577429000.db2.gz BKQAKEOQYXYFJQ-SNVBAGLBSA-N 1 2 339.392 2.044 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000777666911 577484506 /nfs/dbraw/zinc/48/45/06/577484506.db2.gz LVBBSOCDNFZDBX-OAHLLOKOSA-N 1 2 327.432 2.106 20 10 EECDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770352904 577594397 /nfs/dbraw/zinc/59/43/97/577594397.db2.gz QCTSHFMGPPBJNR-GDBMZVCRSA-N 1 2 349.431 2.167 20 10 EECDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770352904 577594398 /nfs/dbraw/zinc/59/43/98/577594398.db2.gz QCTSHFMGPPBJNR-GDBMZVCRSA-N 1 2 349.431 2.167 20 10 EECDLO Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C[NH+]3CCOCC3)sc2n1 ZINC000771186927 577611420 /nfs/dbraw/zinc/61/14/20/577611420.db2.gz WQTVBBOMFBJEND-LBPRGKRZSA-N 1 2 349.456 2.373 20 10 EECDLO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)CC2 ZINC000756757932 577849851 /nfs/dbraw/zinc/84/98/51/577849851.db2.gz OVDQTRDUSPPATG-MWLCHTKSSA-N 1 2 338.358 2.074 20 10 EECDLO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)c(O)c1OC ZINC000893173026 684036836 /nfs/dbraw/zinc/03/68/36/684036836.db2.gz JSLGXHGBVUAEMB-ZDUSSCGKSA-N 1 2 349.408 2.028 20 10 EECDLO CC(C)CN1C(=O)COCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001272639183 1190946657 /nfs/dbraw/zinc/94/66/57/1190946657.db2.gz XFMDUEHMNHLDQL-UHFFFAOYSA-N 1 2 338.835 2.115 20 10 EECDLO CCOc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(O)c1 ZINC000877775765 1200091829 /nfs/dbraw/zinc/09/18/29/1200091829.db2.gz PGJDSQUJMBZZQR-HNNXBMFYSA-N 1 2 346.349 2.434 20 10 EECDLO CCOc1ccc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(O)c1 ZINC000877775765 1200091836 /nfs/dbraw/zinc/09/18/36/1200091836.db2.gz PGJDSQUJMBZZQR-HNNXBMFYSA-N 1 2 346.349 2.434 20 10 EECDLO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883184163 1202027526 /nfs/dbraw/zinc/02/75/26/1202027526.db2.gz QHVXJUYZHUACAW-LLVKDONJSA-N 1 2 331.185 2.004 20 10 EECDLO Cc1cccc(O)c1C[N@H+]1C[C@]2(F)CN(CC(C)C)C(=O)[C@]2(F)C1 ZINC001274304601 1204991527 /nfs/dbraw/zinc/99/15/27/1204991527.db2.gz VHFWWVBEOSAZEM-ZWKOTPCHSA-N 1 2 338.398 2.431 20 10 EECDLO Cc1cccc(O)c1C[N@@H+]1C[C@]2(F)CN(CC(C)C)C(=O)[C@]2(F)C1 ZINC001274304601 1204991528 /nfs/dbraw/zinc/99/15/28/1204991528.db2.gz VHFWWVBEOSAZEM-ZWKOTPCHSA-N 1 2 338.398 2.431 20 10 EECDLO CCc1ccc(C[NH+]2CC3(C2)CN(CC=C(C)C)C(=O)CO3)c(O)c1 ZINC001274653488 1205117556 /nfs/dbraw/zinc/11/75/56/1205117556.db2.gz KKELIRRSALFYKE-UHFFFAOYSA-N 1 2 344.455 2.334 20 10 EECDLO O=c1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc(O)c(O)c2)[nH]1 ZINC001275821100 1205549698 /nfs/dbraw/zinc/54/96/98/1205549698.db2.gz IKYIYGXEFSMQAC-IYBDPMFKSA-N 1 2 341.411 2.047 20 10 EECDLO O=c1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc(O)c(O)c2)[nH]1 ZINC001275821100 1205549700 /nfs/dbraw/zinc/54/97/00/1205549700.db2.gz IKYIYGXEFSMQAC-IYBDPMFKSA-N 1 2 341.411 2.047 20 10 EECDLO Cc1cccn2cc(CCNC(=O)/C=C\c3ccc(O)c(O)c3)[nH+]c12 ZINC000779532925 1210416367 /nfs/dbraw/zinc/41/63/67/1210416367.db2.gz XMNUBDNKJVTWEX-ALCCZGGFSA-N 1 2 337.379 2.426 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CC(=O)NC[C@@H]2c2ccccc2)c1O ZINC000902564879 1237916730 /nfs/dbraw/zinc/91/67/30/1237916730.db2.gz WXKLUXOQLPOROY-MRXNPFEDSA-N 1 2 326.396 2.382 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CC(=O)NC[C@@H]2c2ccccc2)c1O ZINC000902564879 1237916736 /nfs/dbraw/zinc/91/67/36/1237916736.db2.gz WXKLUXOQLPOROY-MRXNPFEDSA-N 1 2 326.396 2.382 20 10 EECDLO COc1cc(Br)cc(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802660486 1237943242 /nfs/dbraw/zinc/94/32/42/1237943242.db2.gz MTOHBHGFCCODCE-ZDUSSCGKSA-N 1 2 334.185 2.070 20 10 EECDLO COc1cc(Br)cc(C[N@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802660486 1237943249 /nfs/dbraw/zinc/94/32/49/1237943249.db2.gz MTOHBHGFCCODCE-ZDUSSCGKSA-N 1 2 334.185 2.070 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3[nH]nc4c3CCC4)CC2)c(OC)c1 ZINC001232430522 1304121750 /nfs/dbraw/zinc/12/17/50/1304121750.db2.gz ZSUPWQYRCQXQJZ-UHFFFAOYSA-N 1 2 342.443 2.238 20 10 EECDLO OC[C@H]1CN(Cc2c(O)ccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001233332124 1304435220 /nfs/dbraw/zinc/43/52/20/1304435220.db2.gz ZMLMGEPTEWEFKJ-OAHLLOKOSA-N 1 2 348.393 2.349 20 10 EECDLO OC[C@H]1CN(Cc2c(O)ccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC001233332124 1304435224 /nfs/dbraw/zinc/43/52/24/1304435224.db2.gz ZMLMGEPTEWEFKJ-OAHLLOKOSA-N 1 2 348.393 2.349 20 10 EECDLO C[N@H+](Cc1cccc(C(F)(F)F)c1O)C1CCS(=O)(=O)CC1 ZINC001233418516 1304462052 /nfs/dbraw/zinc/46/20/52/1304462052.db2.gz KILOILOJHJVZEE-UHFFFAOYSA-N 1 2 337.363 2.420 20 10 EECDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1O)C1CCS(=O)(=O)CC1 ZINC001233418516 1304462056 /nfs/dbraw/zinc/46/20/56/1304462056.db2.gz KILOILOJHJVZEE-UHFFFAOYSA-N 1 2 337.363 2.420 20 10 EECDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236828751 1305690432 /nfs/dbraw/zinc/69/04/32/1305690432.db2.gz FJWFMXSQLXCFOO-QGZVFWFLSA-N 1 2 338.411 2.420 20 10 EECDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236828751 1305690455 /nfs/dbraw/zinc/69/04/55/1305690455.db2.gz FJWFMXSQLXCFOO-QGZVFWFLSA-N 1 2 338.411 2.420 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940898 1306155086 /nfs/dbraw/zinc/15/50/86/1306155086.db2.gz OYIBVQWCQZIYDG-LLVKDONJSA-N 1 2 329.803 2.420 20 10 EECDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940898 1306155092 /nfs/dbraw/zinc/15/50/92/1306155092.db2.gz OYIBVQWCQZIYDG-LLVKDONJSA-N 1 2 329.803 2.420 20 10 EECDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccccc3O)nc[nH+]2)C1 ZINC000840281743 1315343893 /nfs/dbraw/zinc/34/38/93/1315343893.db2.gz ZLERUOKOVNBUES-KGLIPLIRSA-N 1 2 328.416 2.026 20 10 EECDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccccc3O)[nH+]cn2)C1 ZINC000840281743 1315343898 /nfs/dbraw/zinc/34/38/98/1315343898.db2.gz ZLERUOKOVNBUES-KGLIPLIRSA-N 1 2 328.416 2.026 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c1 ZINC001203675004 1321938212 /nfs/dbraw/zinc/93/82/12/1321938212.db2.gz HLAVZHKZOHANGX-UHFFFAOYSA-N 1 2 345.399 2.085 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c1 ZINC001203675004 1321938217 /nfs/dbraw/zinc/93/82/17/1321938217.db2.gz HLAVZHKZOHANGX-UHFFFAOYSA-N 1 2 345.399 2.085 20 10 EECDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@@H]1F ZINC001204279500 1322103347 /nfs/dbraw/zinc/10/33/47/1322103347.db2.gz ZRHSHRILINHCKU-QWHCGFSZSA-N 1 2 326.368 2.145 20 10 EECDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1F ZINC001204279500 1322103349 /nfs/dbraw/zinc/10/33/49/1322103349.db2.gz ZRHSHRILINHCKU-QWHCGFSZSA-N 1 2 326.368 2.145 20 10 EECDLO COc1cc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)cc(O)c1O ZINC001204348842 1322122685 /nfs/dbraw/zinc/12/26/85/1322122685.db2.gz JDHJFRUNHCCISI-UHFFFAOYSA-N 1 2 336.432 2.187 20 10 EECDLO COc1cc(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)cc(O)c1O ZINC001204348842 1322122693 /nfs/dbraw/zinc/12/26/93/1322122693.db2.gz JDHJFRUNHCCISI-UHFFFAOYSA-N 1 2 336.432 2.187 20 10 EECDLO C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852279 1334727378 /nfs/dbraw/zinc/72/73/78/1334727378.db2.gz YLJSKHCLALJORW-APWZRJJASA-N 1 2 348.510 2.350 20 10 EECDLO C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852279 1334727379 /nfs/dbraw/zinc/72/73/79/1334727379.db2.gz YLJSKHCLALJORW-APWZRJJASA-N 1 2 348.510 2.350 20 10 EECDLO COCC[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)C(F)(F)F ZINC000848921444 1338807167 /nfs/dbraw/zinc/80/71/67/1338807167.db2.gz BDHNDUNDHBEPAD-NSHDSACASA-N 1 2 327.730 2.417 20 10 EECDLO COCC[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)C(F)(F)F ZINC000848921444 1338807169 /nfs/dbraw/zinc/80/71/69/1338807169.db2.gz BDHNDUNDHBEPAD-NSHDSACASA-N 1 2 327.730 2.417 20 10 EECDLO CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc(-c2nn[nH]n2)c1O ZINC001590469587 1349344802 /nfs/dbraw/zinc/34/48/02/1349344802.db2.gz KUSIQQMHLWMNAE-VXGBXAGGSA-N 1 2 339.346 2.037 20 10 EECDLO CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590471854 1349346237 /nfs/dbraw/zinc/34/62/37/1349346237.db2.gz OYTPYHNXBXUTBA-ZOWXZIJZSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603845481 1350780698 /nfs/dbraw/zinc/78/06/98/1350780698.db2.gz DIWPEPPISVBZDI-JHJVBQTASA-N 1 2 331.420 2.428 20 10 EECDLO COc1cccc(C(=O)N2CC[NH+](Cc3c(O)cccc3F)CC2)c1 ZINC001137841697 1372282642 /nfs/dbraw/zinc/28/26/42/1372282642.db2.gz QITGTSXNEUPHBF-UHFFFAOYSA-N 1 2 344.386 2.498 20 10 EECDLO COCC[N@H+](CCN(C)C)Cc1cc(C)cc(Br)c1O ZINC000809741030 783351135 /nfs/dbraw/zinc/35/11/35/783351135.db2.gz OCDWNAWBZRDTEI-UHFFFAOYSA-N 1 2 345.281 2.473 20 10 EECDLO COCC[N@@H+](CCN(C)C)Cc1cc(C)cc(Br)c1O ZINC000809741030 783351141 /nfs/dbraw/zinc/35/11/41/783351141.db2.gz OCDWNAWBZRDTEI-UHFFFAOYSA-N 1 2 345.281 2.473 20 10 EECDLO OCc1cn([C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000816641644 784164712 /nfs/dbraw/zinc/16/47/12/784164712.db2.gz APMLYUNTTQKHLM-NSHDSACASA-N 1 2 340.786 2.106 20 10 EECDLO OCc1cn([C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000816641644 784164718 /nfs/dbraw/zinc/16/47/18/784164718.db2.gz APMLYUNTTQKHLM-NSHDSACASA-N 1 2 340.786 2.106 20 10 EECDLO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984268 785134998 /nfs/dbraw/zinc/13/49/98/785134998.db2.gz XCPPESYZQZXEFE-SCZZXKLOSA-N 1 2 349.656 2.447 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1F ZINC000193007289 529781858 /nfs/dbraw/zinc/78/18/58/529781858.db2.gz SCGGIVXZECVHOH-SFHVURJKSA-N 1 2 349.450 2.151 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1F ZINC000193007289 529781860 /nfs/dbraw/zinc/78/18/60/529781860.db2.gz SCGGIVXZECVHOH-SFHVURJKSA-N 1 2 349.450 2.151 20 10 EECDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000119023614 462867916 /nfs/dbraw/zinc/86/79/16/462867916.db2.gz BPKKARVEAKOVIC-AWEZNQCLSA-N 1 2 325.412 2.346 20 10 EECDLO CC(=O)c1cc(F)cc(CN2CC[NH+](CCOC(C)C)CC2)c1O ZINC000079473898 463218632 /nfs/dbraw/zinc/21/86/32/463218632.db2.gz WYTPLCKCQWCKST-UHFFFAOYSA-N 1 2 338.423 2.277 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+](CC(N)=O)Cc2ccccc2)c1O ZINC000072312092 463508047 /nfs/dbraw/zinc/50/80/47/463508047.db2.gz OSEZPPVNESWTRA-UHFFFAOYSA-N 1 2 330.359 2.221 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+](CC(N)=O)Cc2ccccc2)c1O ZINC000072312092 463508050 /nfs/dbraw/zinc/50/80/50/463508050.db2.gz OSEZPPVNESWTRA-UHFFFAOYSA-N 1 2 330.359 2.221 20 10 EECDLO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC[S@]1=O ZINC000277727773 463930492 /nfs/dbraw/zinc/93/04/92/463930492.db2.gz SUGXKPIVUZGAIS-MLCYQJTMSA-N 1 2 332.263 2.498 20 10 EECDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[S@]1=O ZINC000277727773 463930497 /nfs/dbraw/zinc/93/04/97/463930497.db2.gz SUGXKPIVUZGAIS-MLCYQJTMSA-N 1 2 332.263 2.498 20 10 EECDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188788244 464369857 /nfs/dbraw/zinc/36/98/57/464369857.db2.gz AYKBPUCGLHSVKT-ROUUACIJSA-N 1 2 332.444 2.175 20 10 EECDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000188788244 464369861 /nfs/dbraw/zinc/36/98/61/464369861.db2.gz AYKBPUCGLHSVKT-ROUUACIJSA-N 1 2 332.444 2.175 20 10 EECDLO Cn1c[nH+]cc1CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000189333903 464479088 /nfs/dbraw/zinc/47/90/88/464479088.db2.gz FLLDINSLETVUGQ-QGZVFWFLSA-N 1 2 343.427 2.266 20 10 EECDLO COC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000189475021 464514557 /nfs/dbraw/zinc/51/45/57/464514557.db2.gz VZKCBKLSSSQOCM-IINYFYTJSA-N 1 2 327.808 2.484 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000189475021 464514563 /nfs/dbraw/zinc/51/45/63/464514563.db2.gz VZKCBKLSSSQOCM-IINYFYTJSA-N 1 2 327.808 2.484 20 10 EECDLO CCc1ncncc1C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726561739 576274103 /nfs/dbraw/zinc/27/41/03/576274103.db2.gz OSBPKOIFDSXNHT-UHFFFAOYSA-N 1 2 340.427 2.446 20 10 EECDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732276894 577163776 /nfs/dbraw/zinc/16/37/76/577163776.db2.gz VPSUSDGBPBQDAR-CQSZACIVSA-N 1 2 345.424 2.156 20 10 EECDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732276894 577163777 /nfs/dbraw/zinc/16/37/77/577163777.db2.gz VPSUSDGBPBQDAR-CQSZACIVSA-N 1 2 345.424 2.156 20 10 EECDLO CCN(CCCO)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000745797083 577918782 /nfs/dbraw/zinc/91/87/82/577918782.db2.gz YMBSBEQBBWIKLG-UHFFFAOYSA-N 1 2 335.448 2.078 20 10 EECDLO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000891242368 676231857 /nfs/dbraw/zinc/23/18/57/676231857.db2.gz FRIDTVLKDIUXSJ-QGTPRVQTSA-N 1 2 333.476 2.287 20 10 EECDLO COc1ccc(O)c(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000162659637 682032329 /nfs/dbraw/zinc/03/23/29/682032329.db2.gz AITXLWIYEVTLQZ-UHFFFAOYSA-N 1 2 330.388 2.492 20 10 EECDLO CN1C[C@H]([N@H+](C)Cc2cc(Br)cc(F)c2O)CCC1=O ZINC000895388520 684574030 /nfs/dbraw/zinc/57/40/30/684574030.db2.gz JHGQCLYECXAEEM-LLVKDONJSA-N 1 2 345.212 2.346 20 10 EECDLO CN1C[C@H]([N@@H+](C)Cc2cc(Br)cc(F)c2O)CCC1=O ZINC000895388520 684574032 /nfs/dbraw/zinc/57/40/32/684574032.db2.gz JHGQCLYECXAEEM-LLVKDONJSA-N 1 2 345.212 2.346 20 10 EECDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000875507833 1199276156 /nfs/dbraw/zinc/27/61/56/1199276156.db2.gz LJVLTUIHSZWUBC-DOTOQJQBSA-N 1 2 348.491 2.224 20 10 EECDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000875507833 1199276158 /nfs/dbraw/zinc/27/61/58/1199276158.db2.gz LJVLTUIHSZWUBC-DOTOQJQBSA-N 1 2 348.491 2.224 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cncc(OC)c3)CC2)c(OC)c1 ZINC000877708567 1200046755 /nfs/dbraw/zinc/04/67/55/1200046755.db2.gz OXQDUFICDJUSJD-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO O=c1cccc(CN2CC3(C2)C[NH+](Cc2ccc(Cl)cc2O)C3)[nH]1 ZINC001275272567 1205296013 /nfs/dbraw/zinc/29/60/13/1205296013.db2.gz VNAWWKWSVSXLHZ-UHFFFAOYSA-N 1 2 345.830 2.464 20 10 EECDLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000189360545 1209142579 /nfs/dbraw/zinc/14/25/79/1209142579.db2.gz UIPOXFMKIRVZKG-MRXNPFEDSA-N 1 2 329.400 2.256 20 10 EECDLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000189360545 1209142582 /nfs/dbraw/zinc/14/25/82/1209142582.db2.gz UIPOXFMKIRVZKG-MRXNPFEDSA-N 1 2 329.400 2.256 20 10 EECDLO COc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c(O)c1 ZINC000795283631 1212426211 /nfs/dbraw/zinc/42/62/11/1212426211.db2.gz FKQSOINLLSZNOP-AWEZNQCLSA-N 1 2 344.415 2.154 20 10 EECDLO COc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c(O)c1 ZINC000795283631 1212426214 /nfs/dbraw/zinc/42/62/14/1212426214.db2.gz FKQSOINLLSZNOP-AWEZNQCLSA-N 1 2 344.415 2.154 20 10 EECDLO COC(=O)c1cnoc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000795866026 1215135497 /nfs/dbraw/zinc/13/54/97/1215135497.db2.gz GGULGZVVNFOMKC-UHFFFAOYSA-N 1 2 345.399 2.182 20 10 EECDLO COC(=O)c1cnoc1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000795866026 1215135498 /nfs/dbraw/zinc/13/54/98/1215135498.db2.gz GGULGZVVNFOMKC-UHFFFAOYSA-N 1 2 345.399 2.182 20 10 EECDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001276379966 1249622995 /nfs/dbraw/zinc/62/29/95/1249622995.db2.gz CXUGHYCNIFIPRF-HIFRSBDPSA-N 1 2 340.851 2.172 20 10 EECDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001276379966 1249623014 /nfs/dbraw/zinc/62/30/14/1249623014.db2.gz CXUGHYCNIFIPRF-HIFRSBDPSA-N 1 2 340.851 2.172 20 10 EECDLO CCC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CC(=O)N(C)C1=O ZINC000802656676 1237936263 /nfs/dbraw/zinc/93/62/63/1237936263.db2.gz SIZPUKGVIMXIAS-NSHDSACASA-N 1 2 328.771 2.154 20 10 EECDLO CCC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CC(=O)N(C)C1=O ZINC000802656676 1237936270 /nfs/dbraw/zinc/93/62/70/1237936270.db2.gz SIZPUKGVIMXIAS-NSHDSACASA-N 1 2 328.771 2.154 20 10 EECDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NC1CCOCC1 ZINC000111232814 1292347777 /nfs/dbraw/zinc/34/77/77/1292347777.db2.gz LSPOESXTYXOKFP-UHFFFAOYSA-N 1 2 344.411 2.283 20 10 EECDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NC1CCOCC1 ZINC000111232814 1292347786 /nfs/dbraw/zinc/34/77/86/1292347786.db2.gz LSPOESXTYXOKFP-UHFFFAOYSA-N 1 2 344.411 2.283 20 10 EECDLO Oc1ccc(-c2nc(-c3ccccn3)no2)cc1C[NH+]1CCOCC1 ZINC001217056635 1297353891 /nfs/dbraw/zinc/35/38/91/1297353891.db2.gz NHMNPZUOUWCQMC-UHFFFAOYSA-N 1 2 338.367 2.336 20 10 EECDLO C[N@@H+]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228112701 1302108781 /nfs/dbraw/zinc/10/87/81/1302108781.db2.gz AHWKDLNHTXCEDY-CYBMUJFWSA-N 1 2 329.352 2.117 20 10 EECDLO C[N@H+]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228112701 1302108789 /nfs/dbraw/zinc/10/87/89/1302108789.db2.gz AHWKDLNHTXCEDY-CYBMUJFWSA-N 1 2 329.352 2.117 20 10 EECDLO O=C(NCc1c[nH]cn1)[C@]12C[C@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277457555 1303230571 /nfs/dbraw/zinc/23/05/71/1303230571.db2.gz JTMDTNULWIHROD-PXAZEXFGSA-N 1 2 346.818 2.050 20 10 EECDLO O=C(NCc1c[nH]cn1)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001277457555 1303230575 /nfs/dbraw/zinc/23/05/75/1303230575.db2.gz JTMDTNULWIHROD-PXAZEXFGSA-N 1 2 346.818 2.050 20 10 EECDLO COc1cc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(O)cc1O ZINC001231634398 1303872186 /nfs/dbraw/zinc/87/21/86/1303872186.db2.gz LXMPLOZUBWCMID-UHFFFAOYSA-N 1 2 338.404 2.159 20 10 EECDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231878411 1303935988 /nfs/dbraw/zinc/93/59/88/1303935988.db2.gz JQVAUKOGEAGDSC-QGZVFWFLSA-N 1 2 338.411 2.420 20 10 EECDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231878411 1303935990 /nfs/dbraw/zinc/93/59/90/1303935990.db2.gz JQVAUKOGEAGDSC-QGZVFWFLSA-N 1 2 338.411 2.420 20 10 EECDLO OC[C@@H]1CN(Cc2c(O)ccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001233332123 1304435443 /nfs/dbraw/zinc/43/54/43/1304435443.db2.gz ZMLMGEPTEWEFKJ-HNNXBMFYSA-N 1 2 348.393 2.349 20 10 EECDLO OC[C@@H]1CN(Cc2c(O)ccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC001233332123 1304435446 /nfs/dbraw/zinc/43/54/46/1304435446.db2.gz ZMLMGEPTEWEFKJ-HNNXBMFYSA-N 1 2 348.393 2.349 20 10 EECDLO CC(=O)[C@@H]1CC[N@H+](Cc2cccc(I)c2O)C1 ZINC001237781898 1306089242 /nfs/dbraw/zinc/08/92/42/1306089242.db2.gz BJOAFZBKOZZNBS-SNVBAGLBSA-N 1 2 345.180 2.408 20 10 EECDLO CC(=O)[C@@H]1CC[N@@H+](Cc2cccc(I)c2O)C1 ZINC001237781898 1306089252 /nfs/dbraw/zinc/08/92/52/1306089252.db2.gz BJOAFZBKOZZNBS-SNVBAGLBSA-N 1 2 345.180 2.408 20 10 EECDLO CN1CCOc2cc(CN3CC[NH+](Cc4ccncc4)CC3)ccc21 ZINC001141143088 1315049337 /nfs/dbraw/zinc/04/93/37/1315049337.db2.gz MPQDCXMIFZIIJE-UHFFFAOYSA-N 1 2 338.455 2.228 20 10 EECDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCC(F)(F)CC1 ZINC001254207427 1318015875 /nfs/dbraw/zinc/01/58/75/1318015875.db2.gz YTGACIQLSMNTRV-LBPRGKRZSA-N 1 2 329.343 2.349 20 10 EECDLO CC(C)(C)OC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204283048 1322103273 /nfs/dbraw/zinc/10/32/73/1322103273.db2.gz XTTSVLLFAWVPTP-AWEZNQCLSA-N 1 2 337.416 2.421 20 10 EECDLO CC(C)(C)OC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc(O)cc1O ZINC001204283048 1322103279 /nfs/dbraw/zinc/10/32/79/1322103279.db2.gz XTTSVLLFAWVPTP-AWEZNQCLSA-N 1 2 337.416 2.421 20 10 EECDLO [NH3+][C@@H]1CN(Cc2c(O)cc(Br)cc2F)CCC1(F)F ZINC001206683505 1323560299 /nfs/dbraw/zinc/56/02/99/1323560299.db2.gz LMWPEIIEDQWHOK-LLVKDONJSA-N 1 2 339.155 2.462 20 10 EECDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001276538369 1324004914 /nfs/dbraw/zinc/00/49/14/1324004914.db2.gz AQBKQGWNZVECNH-GASCZTMLSA-N 1 2 342.374 2.417 20 10 EECDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001276538369 1324004921 /nfs/dbraw/zinc/00/49/21/1324004921.db2.gz AQBKQGWNZVECNH-GASCZTMLSA-N 1 2 342.374 2.417 20 10 EECDLO COc1cc(O)c(CN2CCC[C@]3(C2)C[N@H+](C)CCO3)cc1Cl ZINC001276621724 1324834362 /nfs/dbraw/zinc/83/43/62/1324834362.db2.gz YYWMZJKUMLCKDT-QGZVFWFLSA-N 1 2 340.851 2.351 20 10 EECDLO COc1cc(O)c(CN2CCC[C@]3(C2)C[N@@H+](C)CCO3)cc1Cl ZINC001276621724 1324834369 /nfs/dbraw/zinc/83/43/69/1324834369.db2.gz YYWMZJKUMLCKDT-QGZVFWFLSA-N 1 2 340.851 2.351 20 10 EECDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001335737196 1336420227 /nfs/dbraw/zinc/42/02/27/1336420227.db2.gz LYGWTLOFVQASMX-OAHLLOKOSA-N 1 2 327.432 2.167 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000848243921 1338607623 /nfs/dbraw/zinc/60/76/23/1338607623.db2.gz UAKJBNLAXCFJPQ-AWEZNQCLSA-N 1 2 330.432 2.192 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000848243921 1338607629 /nfs/dbraw/zinc/60/76/29/1338607629.db2.gz UAKJBNLAXCFJPQ-AWEZNQCLSA-N 1 2 330.432 2.192 20 10 EECDLO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1cccc(-c2nn[nH]n2)c1O ZINC001604053101 1350840355 /nfs/dbraw/zinc/84/03/55/1350840355.db2.gz BKSCLFCIEQETNZ-BYCMXARLSA-N 1 2 331.420 2.428 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000839493969 1372904952 /nfs/dbraw/zinc/90/49/52/1372904952.db2.gz IMPGAGACIYBPLA-UHFFFAOYSA-N 1 2 333.476 2.258 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000839493969 1372904955 /nfs/dbraw/zinc/90/49/55/1372904955.db2.gz IMPGAGACIYBPLA-UHFFFAOYSA-N 1 2 333.476 2.258 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1 ZINC000817412223 784765064 /nfs/dbraw/zinc/76/50/64/784765064.db2.gz GQSDYHHDWLWVRD-GFCCVEGCSA-N 1 2 344.249 2.435 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](CO)OC(C)(C)C2)c1 ZINC000817412223 784765073 /nfs/dbraw/zinc/76/50/73/784765073.db2.gz GQSDYHHDWLWVRD-GFCCVEGCSA-N 1 2 344.249 2.435 20 10 EECDLO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000824710003 788283539 /nfs/dbraw/zinc/28/35/39/788283539.db2.gz VBGNQOOJJSZPMZ-ZWNOBZJWSA-N 1 2 330.222 2.296 20 10 EECDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(Br)cc(F)c1O ZINC000715737465 795491574 /nfs/dbraw/zinc/49/15/74/795491574.db2.gz JQORDHNFMBVEND-UHFFFAOYSA-N 1 2 333.201 2.204 20 10 EECDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(Br)cc(F)c1O ZINC000715737465 795491583 /nfs/dbraw/zinc/49/15/83/795491583.db2.gz JQORDHNFMBVEND-UHFFFAOYSA-N 1 2 333.201 2.204 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCN1CCSCC1 ZINC000715828300 795537761 /nfs/dbraw/zinc/53/77/61/795537761.db2.gz ONUGOMPOGQQWFB-UHFFFAOYSA-N 1 2 349.269 2.432 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1 ZINC001176063415 798341101 /nfs/dbraw/zinc/34/11/01/798341101.db2.gz YQROVJZJVFTPNA-QGZVFWFLSA-N 1 2 349.475 2.166 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1 ZINC001176063415 798341108 /nfs/dbraw/zinc/34/11/08/798341108.db2.gz YQROVJZJVFTPNA-QGZVFWFLSA-N 1 2 349.475 2.166 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001521665705 1119267307 /nfs/dbraw/zinc/26/73/07/1119267307.db2.gz BPKCUEDRHNDGRI-HNNXBMFYSA-N 1 2 328.460 2.475 20 10 EECDLO O=C1C[N@@H+](Cc2cc(Br)ccc2O)[C@H]2CCCC[C@@H]2N1 ZINC000092676438 237043891 /nfs/dbraw/zinc/04/38/91/237043891.db2.gz ZWBVECIJTNULRA-STQMWFEESA-N 1 2 339.233 2.398 20 10 EECDLO O=C1C[N@H+](Cc2cc(Br)ccc2O)[C@H]2CCCC[C@@H]2N1 ZINC000092676438 237043894 /nfs/dbraw/zinc/04/38/94/237043894.db2.gz ZWBVECIJTNULRA-STQMWFEESA-N 1 2 339.233 2.398 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278478719 463965832 /nfs/dbraw/zinc/96/58/32/463965832.db2.gz IZPNLIULTCCSSG-GWCFXTLKSA-N 1 2 338.360 2.083 20 10 EECDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278478719 463965839 /nfs/dbraw/zinc/96/58/39/463965839.db2.gz IZPNLIULTCCSSG-GWCFXTLKSA-N 1 2 338.360 2.083 20 10 EECDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H](C)[S@]1=O ZINC000289254239 464071676 /nfs/dbraw/zinc/07/16/76/464071676.db2.gz FGRQOFGPFFRZNI-WBVVSNMSSA-N 1 2 327.446 2.141 20 10 EECDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H](C)[S@]1=O ZINC000289254239 464071680 /nfs/dbraw/zinc/07/16/80/464071680.db2.gz FGRQOFGPFFRZNI-WBVVSNMSSA-N 1 2 327.446 2.141 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCCN(CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000290658072 464128315 /nfs/dbraw/zinc/12/83/15/464128315.db2.gz ZLNMPBIOXHVGSZ-UHFFFAOYSA-N 1 2 345.346 2.082 20 10 EECDLO COc1c(O)c(C[N@H+]2CCCN(CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000290658072 464128325 /nfs/dbraw/zinc/12/83/25/464128325.db2.gz ZLNMPBIOXHVGSZ-UHFFFAOYSA-N 1 2 345.346 2.082 20 10 EECDLO O=C(c1ccccn1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271693974 464362645 /nfs/dbraw/zinc/36/26/45/464362645.db2.gz AIPMEUKZSZVKLG-UHFFFAOYSA-N 1 2 331.803 2.399 20 10 EECDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000274888935 464758580 /nfs/dbraw/zinc/75/85/80/464758580.db2.gz CWUYDBVZPQWMER-CYBMUJFWSA-N 1 2 340.395 2.257 20 10 EECDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000274888935 464758586 /nfs/dbraw/zinc/75/85/86/464758586.db2.gz CWUYDBVZPQWMER-CYBMUJFWSA-N 1 2 340.395 2.257 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000282815025 464959745 /nfs/dbraw/zinc/95/97/45/464959745.db2.gz SXNZUUSYYZGYIP-GFCCVEGCSA-N 1 2 348.262 2.082 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000282815025 464959747 /nfs/dbraw/zinc/95/97/47/464959747.db2.gz SXNZUUSYYZGYIP-GFCCVEGCSA-N 1 2 348.262 2.082 20 10 EECDLO Cc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc[nH+]1 ZINC000731982579 577139800 /nfs/dbraw/zinc/13/98/00/577139800.db2.gz UUWICSZZYZDGGS-OAHLLOKOSA-N 1 2 325.416 2.099 20 10 EECDLO COc1ccc(O)c(CNC(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000734065811 577275728 /nfs/dbraw/zinc/27/57/28/577275728.db2.gz IJLCRVWKTBSQLZ-UHFFFAOYSA-N 1 2 340.383 2.356 20 10 EECDLO COC(=O)CCCc1nc(C[NH2+][C@H](C)c2cc(OC)ccc2O)no1 ZINC000775373384 577436143 /nfs/dbraw/zinc/43/61/43/577436143.db2.gz QSISCWJHLHNVLF-LLVKDONJSA-N 1 2 349.387 2.130 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000775717369 577443648 /nfs/dbraw/zinc/44/36/48/577443648.db2.gz DJIASMPTHCSCAJ-LBPRGKRZSA-N 1 2 328.815 2.339 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000775717369 577443649 /nfs/dbraw/zinc/44/36/49/577443649.db2.gz DJIASMPTHCSCAJ-LBPRGKRZSA-N 1 2 328.815 2.339 20 10 EECDLO Cn1cccc1C(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768221051 577552334 /nfs/dbraw/zinc/55/23/34/577552334.db2.gz XZUXXHPTUBONEH-UHFFFAOYSA-N 1 2 333.819 2.342 20 10 EECDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000763386453 577720356 /nfs/dbraw/zinc/72/03/56/577720356.db2.gz ZSKXFGZPDZYKIL-AWEZNQCLSA-N 1 2 341.473 2.404 20 10 EECDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000763386453 577720357 /nfs/dbraw/zinc/72/03/57/577720357.db2.gz ZSKXFGZPDZYKIL-AWEZNQCLSA-N 1 2 341.473 2.404 20 10 EECDLO C[C@H]([NH2+]Cc1nncn1C)c1cc(Br)cc(F)c1O ZINC000756403912 577843463 /nfs/dbraw/zinc/84/34/63/577843463.db2.gz ZBLIOPMKJHXAMT-ZETCQYMHSA-N 1 2 329.173 2.273 20 10 EECDLO COC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756779236 577850115 /nfs/dbraw/zinc/85/01/15/577850115.db2.gz RRKAHAQWBCWXBG-BDAKNGLRSA-N 1 2 336.201 2.342 20 10 EECDLO COc1cccc(CNc2[nH+]c3c(cc2-c2nn[nH]n2)CCC3)c1O ZINC000737132619 578240020 /nfs/dbraw/zinc/24/00/20/578240020.db2.gz NJLDIIHKOJWRII-UHFFFAOYSA-N 1 2 338.371 2.077 20 10 EECDLO CCOCC[NH+]1CCN(Cc2cccc(Br)c2O)CC1 ZINC000127459625 678322747 /nfs/dbraw/zinc/32/27/47/678322747.db2.gz QYPUPHSTFZPJCR-UHFFFAOYSA-N 1 2 343.265 2.309 20 10 EECDLO COc1cccc(N2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)n1 ZINC001142527241 1188227280 /nfs/dbraw/zinc/22/72/80/1188227280.db2.gz PLGZRTDTXREMRG-UHFFFAOYSA-N 1 2 335.354 2.396 20 10 EECDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1O ZINC001273304563 1198005116 /nfs/dbraw/zinc/00/51/16/1198005116.db2.gz NXKFNUQACYTEOB-ORAYPTAESA-N 1 2 348.418 2.466 20 10 EECDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1O ZINC001273304563 1198005123 /nfs/dbraw/zinc/00/51/23/1198005123.db2.gz NXKFNUQACYTEOB-ORAYPTAESA-N 1 2 348.418 2.466 20 10 EECDLO C=Cn1cc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)cn1 ZINC000877708500 1200046118 /nfs/dbraw/zinc/04/61/18/1200046118.db2.gz NUIVPODDQYVCEP-UHFFFAOYSA-N 1 2 328.416 2.323 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1nnc2n1CCC2 ZINC000882885798 1201968523 /nfs/dbraw/zinc/96/85/23/1201968523.db2.gz OQHPACYJPAKYDH-UHFFFAOYSA-N 1 2 341.184 2.121 20 10 EECDLO CCn1ccnc1CN1CCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001275908641 1205581235 /nfs/dbraw/zinc/58/12/35/1205581235.db2.gz GBIMEEZAQWKDEI-UHFFFAOYSA-N 1 2 330.407 2.208 20 10 EECDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NC[C@H]1CCCO1 ZINC000096970928 1213926539 /nfs/dbraw/zinc/92/65/39/1213926539.db2.gz JCJBFBMGGMNITK-MRXNPFEDSA-N 1 2 344.411 2.283 20 10 EECDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NC[C@H]1CCCO1 ZINC000096970928 1213926548 /nfs/dbraw/zinc/92/65/48/1213926548.db2.gz JCJBFBMGGMNITK-MRXNPFEDSA-N 1 2 344.411 2.283 20 10 EECDLO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[NH2+]CC3(F)F)cccc21 ZINC001218233641 1297610044 /nfs/dbraw/zinc/61/00/44/1297610044.db2.gz NDDSCDZQSGGKJU-CQSZACIVSA-N 1 2 329.302 2.448 20 10 EECDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1c(C)cc(C)cc1O ZINC001231846510 1303930112 /nfs/dbraw/zinc/93/01/12/1303930112.db2.gz NGPODKUUDWXPPW-UHFFFAOYSA-N 1 2 337.416 2.327 20 10 EECDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1c(C)cc(C)cc1O ZINC001231846510 1303930117 /nfs/dbraw/zinc/93/01/17/1303930117.db2.gz NGPODKUUDWXPPW-UHFFFAOYSA-N 1 2 337.416 2.327 20 10 EECDLO CC(=O)N1CCN(c2ccc(-c3c[nH+]c4c(c3)CCCN4)cc2)CC1 ZINC001243654421 1309844174 /nfs/dbraw/zinc/84/41/74/1309844174.db2.gz VHPMAUVBKNPQPP-UHFFFAOYSA-N 1 2 336.439 2.418 20 10 EECDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@@H]1F ZINC001204273167 1322099238 /nfs/dbraw/zinc/09/92/38/1322099238.db2.gz ZRHSHRILINHCKU-STQMWFEESA-N 1 2 326.368 2.145 20 10 EECDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1F ZINC001204273167 1322099242 /nfs/dbraw/zinc/09/92/42/1322099242.db2.gz ZRHSHRILINHCKU-STQMWFEESA-N 1 2 326.368 2.145 20 10 EECDLO CCOc1ccc(N2CCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC001324627203 1333726200 /nfs/dbraw/zinc/72/62/00/1333726200.db2.gz OBPKEDXAHUROBB-HNNXBMFYSA-N 1 2 328.416 2.192 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC001350317104 1337694435 /nfs/dbraw/zinc/69/44/35/1337694435.db2.gz QQZUWMGKWIOYPA-LLVKDONJSA-N 1 2 341.184 2.332 20 10 EECDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC001350317104 1337694440 /nfs/dbraw/zinc/69/44/40/1337694440.db2.gz QQZUWMGKWIOYPA-LLVKDONJSA-N 1 2 341.184 2.332 20 10 EECDLO C[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978125 1349089547 /nfs/dbraw/zinc/08/95/47/1349089547.db2.gz KVEJQHGUDWJFAN-LBPRGKRZSA-N 1 2 331.420 2.166 20 10 EECDLO CCC(CC)(CCO)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590427320 1349319555 /nfs/dbraw/zinc/31/95/55/1349319555.db2.gz ZPDQQJKXLHXYFE-GFCCVEGCSA-N 1 2 333.436 2.412 20 10 EECDLO CC[C@H]([NH2+]CCCOCC1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055692 1350842001 /nfs/dbraw/zinc/84/20/01/1350842001.db2.gz NXYSIKJSRHGLBO-HNNXBMFYSA-N 1 2 331.420 2.430 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC([NH+]2CCCCC2)C1 ZINC001139130734 1372464359 /nfs/dbraw/zinc/46/43/59/1372464359.db2.gz IQSATIKCCIMUAF-UHFFFAOYSA-N 1 2 328.412 2.477 20 10 EECDLO NC(=O)N=Nc1ccc(C(=O)NC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001031464459 768993960 /nfs/dbraw/zinc/99/39/60/768993960.db2.gz SIIHVPVTWOAUAI-UHFFFAOYSA-N 1 2 337.383 2.463 20 10 EECDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](CC)O1 ZINC000817281477 784623978 /nfs/dbraw/zinc/62/39/78/784623978.db2.gz WMLOCWAXRCDROP-HDICACEKSA-N 1 2 333.476 2.258 20 10 EECDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](CC)O1 ZINC000817281477 784623985 /nfs/dbraw/zinc/62/39/85/784623985.db2.gz WMLOCWAXRCDROP-HDICACEKSA-N 1 2 333.476 2.258 20 10 EECDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000818344392 785247132 /nfs/dbraw/zinc/24/71/32/785247132.db2.gz MVXKJECFMUCREJ-ZDUSSCGKSA-N 1 2 347.438 2.433 20 10 EECDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144308378 789535243 /nfs/dbraw/zinc/53/52/43/789535243.db2.gz XCXKNUYXDAJPJM-NSHDSACASA-N 1 2 345.212 2.346 20 10 EECDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144308378 789535248 /nfs/dbraw/zinc/53/52/48/789535248.db2.gz XCXKNUYXDAJPJM-NSHDSACASA-N 1 2 345.212 2.346 20 10 EECDLO Oc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001144520465 789905299 /nfs/dbraw/zinc/90/52/99/789905299.db2.gz RTUNIKLNGBDYML-INIZCTEOSA-N 1 2 342.386 2.499 20 10 EECDLO O=C(NCc1cccc(O)c1O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001520508528 1119171333 /nfs/dbraw/zinc/17/13/33/1119171333.db2.gz DXJBCOONCCDBMB-MRXNPFEDSA-N 1 2 341.411 2.164 20 10 EECDLO O=C(NCc1cccc(O)c1O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001520508528 1119171337 /nfs/dbraw/zinc/17/13/37/1119171337.db2.gz DXJBCOONCCDBMB-MRXNPFEDSA-N 1 2 341.411 2.164 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000066703966 462922427 /nfs/dbraw/zinc/92/24/27/462922427.db2.gz INVRPUUERCMEKI-CVEARBPZSA-N 1 2 349.475 2.423 20 10 EECDLO O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000180618113 464350394 /nfs/dbraw/zinc/35/03/94/464350394.db2.gz FNNZBKLGFSRTGU-GQCTYLIASA-N 1 2 339.395 2.423 20 10 EECDLO O=C1OCC[C@]12CCC[N@H+]2Cc1cc(Br)ccc1O ZINC000190033064 464588895 /nfs/dbraw/zinc/58/88/95/464588895.db2.gz REVKSDNXTCWUGP-CQSZACIVSA-N 1 2 326.190 2.436 20 10 EECDLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cc(Br)ccc1O ZINC000190033064 464588899 /nfs/dbraw/zinc/58/88/99/464588899.db2.gz REVKSDNXTCWUGP-CQSZACIVSA-N 1 2 326.190 2.436 20 10 EECDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000274973204 464761288 /nfs/dbraw/zinc/76/12/88/464761288.db2.gz WNDDEJARIUHPLR-AWEZNQCLSA-N 1 2 340.395 2.257 20 10 EECDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000274973204 464761294 /nfs/dbraw/zinc/76/12/94/464761294.db2.gz WNDDEJARIUHPLR-AWEZNQCLSA-N 1 2 340.395 2.257 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](C)CC ZINC000276378527 464910020 /nfs/dbraw/zinc/91/00/20/464910020.db2.gz AGIAPWGGLVVUKZ-MEDUHNTESA-N 1 2 325.405 2.477 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](OCCO)C2)c1O ZINC000177181070 464951593 /nfs/dbraw/zinc/95/15/93/464951593.db2.gz YDOCCSKMWZVFKA-AWEZNQCLSA-N 1 2 327.808 2.222 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](OCCO)C2)c1O ZINC000177181070 464951599 /nfs/dbraw/zinc/95/15/99/464951599.db2.gz YDOCCSKMWZVFKA-AWEZNQCLSA-N 1 2 327.808 2.222 20 10 EECDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc1F ZINC000084866526 534016465 /nfs/dbraw/zinc/01/64/65/534016465.db2.gz OZDZQGBODGLOKI-CQSZACIVSA-N 1 2 349.450 2.404 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCCC(C)(C)O)CC2)cc1 ZINC000773689112 577358589 /nfs/dbraw/zinc/35/85/89/577358589.db2.gz NCKASGVNPKRETP-UHFFFAOYSA-N 1 2 335.448 2.124 20 10 EECDLO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000777219005 577475172 /nfs/dbraw/zinc/47/51/72/577475172.db2.gz GSMRSUIOCJJODB-UONOGXRCSA-N 1 2 333.787 2.095 20 10 EECDLO Cn1cnc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000768659106 577560456 /nfs/dbraw/zinc/56/04/56/577560456.db2.gz SHHVVXUCWMPUPY-UHFFFAOYSA-N 1 2 330.392 2.003 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCCC3CC(O)C3)CC2)cc1 ZINC000764366393 577734947 /nfs/dbraw/zinc/73/49/47/577734947.db2.gz DSWSNPADVSKVHZ-UHFFFAOYSA-N 1 2 347.459 2.124 20 10 EECDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000783739590 1187136782 /nfs/dbraw/zinc/13/67/82/1187136782.db2.gz BFDAWAVVYKEDNL-LJQANCHMSA-N 1 2 349.450 2.153 20 10 EECDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000783739590 1187136786 /nfs/dbraw/zinc/13/67/86/1187136786.db2.gz BFDAWAVVYKEDNL-LJQANCHMSA-N 1 2 349.450 2.153 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876608891 1199689824 /nfs/dbraw/zinc/68/98/24/1199689824.db2.gz FDOLVUYYDZIXSY-UHFFFAOYSA-N 1 2 332.444 2.175 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876608891 1199689828 /nfs/dbraw/zinc/68/98/28/1199689828.db2.gz FDOLVUYYDZIXSY-UHFFFAOYSA-N 1 2 332.444 2.175 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccc(C)nn3)CC2)c(OC)c1 ZINC000877708444 1200046266 /nfs/dbraw/zinc/04/62/66/1200046266.db2.gz MJMXPZKGQGESMZ-UHFFFAOYSA-N 1 2 328.416 2.124 20 10 EECDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463664 1201081261 /nfs/dbraw/zinc/08/12/61/1201081261.db2.gz LNUYXLLXPYNNHF-OAHLLOKOSA-N 1 2 349.475 2.083 20 10 EECDLO CC(C)CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1=O ZINC000779201332 1209341675 /nfs/dbraw/zinc/34/16/75/1209341675.db2.gz DQQGLLOLOCFYSZ-KRWDZBQOSA-N 1 2 345.487 2.212 20 10 EECDLO CC(C)CN1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1=O ZINC000779201332 1209341678 /nfs/dbraw/zinc/34/16/78/1209341678.db2.gz DQQGLLOLOCFYSZ-KRWDZBQOSA-N 1 2 345.487 2.212 20 10 EECDLO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C1=CC(=O)CS1 ZINC000779235591 1209635426 /nfs/dbraw/zinc/63/54/26/1209635426.db2.gz ZSEKOBNLGQMIEM-ZBFHGGJFSA-N 1 2 346.452 2.067 20 10 EECDLO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C1=CC(=O)CS1 ZINC000779235591 1209635428 /nfs/dbraw/zinc/63/54/28/1209635428.db2.gz ZSEKOBNLGQMIEM-ZBFHGGJFSA-N 1 2 346.452 2.067 20 10 EECDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001276354181 1213898269 /nfs/dbraw/zinc/89/82/69/1213898269.db2.gz LLYLWJXXEJMKIO-GASCZTMLSA-N 1 2 343.402 2.277 20 10 EECDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001276354181 1213898275 /nfs/dbraw/zinc/89/82/75/1213898275.db2.gz LLYLWJXXEJMKIO-GASCZTMLSA-N 1 2 343.402 2.277 20 10 EECDLO COc1ccc(N2CCC[N@H+](Cc3nc(C4CC4)nn3C)CC2)cc1 ZINC000827803315 1248781548 /nfs/dbraw/zinc/78/15/48/1248781548.db2.gz PMBIUWMGZZHJCI-UHFFFAOYSA-N 1 2 341.459 2.413 20 10 EECDLO COc1ccc(N2CCC[N@@H+](Cc3nc(C4CC4)nn3C)CC2)cc1 ZINC000827803315 1248781557 /nfs/dbraw/zinc/78/15/57/1248781557.db2.gz PMBIUWMGZZHJCI-UHFFFAOYSA-N 1 2 341.459 2.413 20 10 EECDLO COc1cc(C[NH2+][C@@H](C(N)=O)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000850312738 1277163005 /nfs/dbraw/zinc/16/30/05/1277163005.db2.gz ZZWHFRWPGOZIGH-MRXNPFEDSA-N 1 2 343.427 2.410 20 10 EECDLO C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850558079 1277267281 /nfs/dbraw/zinc/26/72/81/1277267281.db2.gz SNVCJKYRHRNSFZ-DOMZBBRYSA-N 1 2 335.404 2.204 20 10 EECDLO CN(C)c1cc(F)c(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1F ZINC000862238703 1295765990 /nfs/dbraw/zinc/76/59/90/1295765990.db2.gz GNAMTCXTGNQHJH-UHFFFAOYSA-N 1 2 349.429 2.082 20 10 EECDLO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C[NH2+]CC3(F)F)cccc21 ZINC001218230646 1297607277 /nfs/dbraw/zinc/60/72/77/1297607277.db2.gz CCADGEHSMKPUSS-CYBMUJFWSA-N 1 2 345.301 2.154 20 10 EECDLO O=C1c2cccc(O[C@H]3C[NH2+]CC3(F)F)c2C(=O)c2cccc(O)c21 ZINC001218235195 1297610062 /nfs/dbraw/zinc/61/00/62/1297610062.db2.gz JMCWLKCVMDPQNJ-ZDUSSCGKSA-N 1 2 345.301 2.154 20 10 EECDLO Oc1ccc(F)c(Cl)c1CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222692973 1299794643 /nfs/dbraw/zinc/79/46/43/1299794643.db2.gz SRUAAIXKEBAGKN-MRXNPFEDSA-N 1 2 327.831 2.102 20 10 EECDLO CC(C)N1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1=O ZINC001233768737 1304585684 /nfs/dbraw/zinc/58/56/84/1304585684.db2.gz YCNYZXWRGRGOPB-UHFFFAOYSA-N 1 2 332.322 2.343 20 10 EECDLO CC(C)N1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1=O ZINC001233768737 1304585690 /nfs/dbraw/zinc/58/56/90/1304585690.db2.gz YCNYZXWRGRGOPB-UHFFFAOYSA-N 1 2 332.322 2.343 20 10 EECDLO COc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)c(O)c1Cl ZINC001236807481 1305684109 /nfs/dbraw/zinc/68/41/09/1305684109.db2.gz PPHFUOHCCXXZKA-UHFFFAOYSA-N 1 2 340.807 2.471 20 10 EECDLO CCNC(=O)COC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237804234 1306103340 /nfs/dbraw/zinc/10/33/40/1306103340.db2.gz ZGXQTWNCQFEJDJ-UHFFFAOYSA-N 1 2 344.814 2.302 20 10 EECDLO CC[C@@]1(C(=O)OC)C[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)C[NH2+]1 ZINC001246790165 1310429794 /nfs/dbraw/zinc/42/97/94/1310429794.db2.gz LKSATAJQXHMGDS-QUCCMNQESA-N 1 2 345.487 2.402 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)CCO1 ZINC001137854155 1314502071 /nfs/dbraw/zinc/50/20/71/1314502071.db2.gz KKJOWTOTQDXCBT-SFHVURJKSA-N 1 2 328.412 2.468 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)CCO1 ZINC001137854155 1314502076 /nfs/dbraw/zinc/50/20/76/1314502076.db2.gz KKJOWTOTQDXCBT-SFHVURJKSA-N 1 2 328.412 2.468 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@H]([N@H+](C)C2CC2)C1 ZINC001139132906 1314709355 /nfs/dbraw/zinc/70/93/55/1314709355.db2.gz CHJASDVIZFWYTA-AWEZNQCLSA-N 1 2 328.412 2.476 20 10 EECDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001139132906 1314709356 /nfs/dbraw/zinc/70/93/56/1314709356.db2.gz CHJASDVIZFWYTA-AWEZNQCLSA-N 1 2 328.412 2.476 20 10 EECDLO CC(=O)NCc1ncn2c1C[N@H+](Cc1c(O)cccc1Cl)CCC2 ZINC001140344398 1314873904 /nfs/dbraw/zinc/87/39/04/1314873904.db2.gz JFVOOLVJPPBIEN-UHFFFAOYSA-N 1 2 348.834 2.284 20 10 EECDLO CC(=O)NCc1ncn2c1C[N@@H+](Cc1c(O)cccc1Cl)CCC2 ZINC001140344398 1314873909 /nfs/dbraw/zinc/87/39/09/1314873909.db2.gz JFVOOLVJPPBIEN-UHFFFAOYSA-N 1 2 348.834 2.284 20 10 EECDLO COc1cccc(C[N@@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001203584607 1321917046 /nfs/dbraw/zinc/91/70/46/1321917046.db2.gz DZENKPZPEXFMOD-STQMWFEESA-N 1 2 340.395 2.448 20 10 EECDLO COc1cccc(C[N@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001203584607 1321917048 /nfs/dbraw/zinc/91/70/48/1321917048.db2.gz DZENKPZPEXFMOD-STQMWFEESA-N 1 2 340.395 2.448 20 10 EECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001203650780 1321932560 /nfs/dbraw/zinc/93/25/60/1321932560.db2.gz BPZCKRXTKLRIMW-LBPRGKRZSA-N 1 2 325.714 2.171 20 10 EECDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001203650780 1321932564 /nfs/dbraw/zinc/93/25/64/1321932564.db2.gz BPZCKRXTKLRIMW-LBPRGKRZSA-N 1 2 325.714 2.171 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(C)c21 ZINC001203931530 1321993269 /nfs/dbraw/zinc/99/32/69/1321993269.db2.gz IXYYSJXYKDSDEM-HNNXBMFYSA-N 1 2 329.448 2.017 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(C)c21 ZINC001203931530 1321993276 /nfs/dbraw/zinc/99/32/76/1321993276.db2.gz IXYYSJXYKDSDEM-HNNXBMFYSA-N 1 2 329.448 2.017 20 10 EECDLO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603648852 1350733403 /nfs/dbraw/zinc/73/34/03/1350733403.db2.gz BOAFHAXLBRYWGT-XHDPSFHLSA-N 1 2 331.420 2.164 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(-c2nn[nH]n2)c1O ZINC001589958273 1349079122 /nfs/dbraw/zinc/07/91/22/1349079122.db2.gz VKLRIMTVDVHXLB-IINYFYTJSA-N 1 2 339.403 2.034 20 10 EECDLO CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465733 1349341537 /nfs/dbraw/zinc/34/15/37/1349341537.db2.gz VOEPGQQXZXITQY-BXUZGUMPSA-N 1 2 329.404 2.325 20 10 EECDLO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Br)cc(F)c1O ZINC000840832371 783024782 /nfs/dbraw/zinc/02/47/82/783024782.db2.gz CDIMLHJNHMZRKK-YUMQZZPRSA-N 1 2 331.185 2.081 20 10 EECDLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2O)C[C@H](CO)O1 ZINC000817413383 784764300 /nfs/dbraw/zinc/76/43/00/784764300.db2.gz XDSNSTRRYQCACL-GFCCVEGCSA-N 1 2 330.222 2.126 20 10 EECDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846110314 790053837 /nfs/dbraw/zinc/05/38/37/790053837.db2.gz YAVFFVRXOQLXEH-DXCKQFNASA-N 1 2 337.416 2.237 20 10 EECDLO CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810266 796605296 /nfs/dbraw/zinc/60/52/96/796605296.db2.gz YSLBJSYZGIHNLD-QEJZJMRPSA-N 1 2 347.394 2.496 20 10 EECDLO CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810266 796605298 /nfs/dbraw/zinc/60/52/98/796605298.db2.gz YSLBJSYZGIHNLD-QEJZJMRPSA-N 1 2 347.394 2.496 20 10 EECDLO OCC(Cc1c[nH]c2ccccc12)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000116350212 237187286 /nfs/dbraw/zinc/18/72/86/237187286.db2.gz ZNRNOBJCTNDETE-AWEZNQCLSA-N 1 2 340.379 2.295 20 10 EECDLO COc1ccc(N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000057776732 463516684 /nfs/dbraw/zinc/51/66/84/463516684.db2.gz FGUHKCHSPNQZMR-UHFFFAOYSA-N 1 2 336.395 2.305 20 10 EECDLO COc1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1O ZINC000277574829 463921698 /nfs/dbraw/zinc/92/16/98/463921698.db2.gz RYAYFRCMGPWTRB-UHFFFAOYSA-N 1 2 332.429 2.356 20 10 EECDLO COc1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1O ZINC000277574829 463921702 /nfs/dbraw/zinc/92/17/02/463921702.db2.gz RYAYFRCMGPWTRB-UHFFFAOYSA-N 1 2 332.429 2.356 20 10 EECDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000289718909 464091274 /nfs/dbraw/zinc/09/12/74/464091274.db2.gz PFHVDEJERUEGKD-LBPRGKRZSA-N 1 2 338.757 2.398 20 10 EECDLO O=C(c1cccnc1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000270993877 464273249 /nfs/dbraw/zinc/27/32/49/464273249.db2.gz IVFJPDLHRDAKMC-UHFFFAOYSA-N 1 2 331.803 2.399 20 10 EECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3coc(C)c3)CC2)cc1 ZINC000275457943 464774739 /nfs/dbraw/zinc/77/47/39/464774739.db2.gz HJXIUWGOTFGPHK-UHFFFAOYSA-N 1 2 343.427 2.149 20 10 EECDLO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000275470825 464775492 /nfs/dbraw/zinc/77/54/92/464775492.db2.gz HTVFBXITALFODH-ZFWWWQNUSA-N 1 2 332.360 2.137 20 10 EECDLO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000275672490 464783875 /nfs/dbraw/zinc/78/38/75/464783875.db2.gz VSFVLBQQQUSKRI-ZFWWWQNUSA-N 1 2 332.360 2.044 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000177018544 464908580 /nfs/dbraw/zinc/90/85/80/464908580.db2.gz OGEXNUAMVRBCJB-OAHLLOKOSA-N 1 2 336.819 2.491 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000177018544 464908586 /nfs/dbraw/zinc/90/85/86/464908586.db2.gz OGEXNUAMVRBCJB-OAHLLOKOSA-N 1 2 336.819 2.491 20 10 EECDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000364588414 466706478 /nfs/dbraw/zinc/70/64/78/466706478.db2.gz JLGHXXPOOSBAPH-JTQLQIEISA-N 1 2 327.787 2.174 20 10 EECDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000364588414 466706481 /nfs/dbraw/zinc/70/64/81/466706481.db2.gz JLGHXXPOOSBAPH-JTQLQIEISA-N 1 2 327.787 2.174 20 10 EECDLO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]c(C)n3)cc2)CC1 ZINC000191858116 526634538 /nfs/dbraw/zinc/63/45/38/526634538.db2.gz LUDSHLCJTQSYAE-UHFFFAOYSA-N 1 2 325.416 2.066 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+](CCS(C)(=O)=O)C(C)(C)C)c1O ZINC000131589230 527209217 /nfs/dbraw/zinc/20/92/17/527209217.db2.gz FVCHMNBVVZQWJX-UHFFFAOYSA-N 1 2 345.436 2.379 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@@H+](CCS(C)(=O)=O)C(C)(C)C)c1O ZINC000131589230 527209224 /nfs/dbraw/zinc/20/92/24/527209224.db2.gz FVCHMNBVVZQWJX-UHFFFAOYSA-N 1 2 345.436 2.379 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCCOCC3CC3)CC2)cc1 ZINC000731046739 577076105 /nfs/dbraw/zinc/07/61/05/577076105.db2.gz ZKDUEOFGWYRVHN-UHFFFAOYSA-N 1 2 347.459 2.390 20 10 EECDLO CCOc1ccc(O)c(C[N@H+](C)[C@H](COC(C)C)C(=O)OC)c1 ZINC000770354992 577594487 /nfs/dbraw/zinc/59/44/87/577594487.db2.gz KLIPAAOMBDYPRJ-OAHLLOKOSA-N 1 2 325.405 2.189 20 10 EECDLO CCOc1ccc(O)c(C[N@@H+](C)[C@H](COC(C)C)C(=O)OC)c1 ZINC000770354992 577594488 /nfs/dbraw/zinc/59/44/88/577594488.db2.gz KLIPAAOMBDYPRJ-OAHLLOKOSA-N 1 2 325.405 2.189 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)c3ccnnc3C)CC2)cc1 ZINC000753065138 577780939 /nfs/dbraw/zinc/78/09/39/577780939.db2.gz UYICJYMUTMDMHL-UHFFFAOYSA-N 1 2 326.400 2.192 20 10 EECDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1O ZINC000177658841 681430640 /nfs/dbraw/zinc/43/06/40/681430640.db2.gz YMSNQEBWQLATAU-UHFFFAOYSA-N 1 2 326.396 2.364 20 10 EECDLO Cc1ccc(C[N@@H+]2C[C@]3(F)CN(CC(F)F)C(=O)[C@]3(F)C2)c(O)c1 ZINC001272765385 1193486703 /nfs/dbraw/zinc/48/67/03/1193486703.db2.gz HSKZKDRJRNGYCI-JKSUJKDBSA-N 1 2 346.324 2.040 20 10 EECDLO Cc1ccc(C[N@H+]2C[C@]3(F)CN(CC(F)F)C(=O)[C@]3(F)C2)c(O)c1 ZINC001272765385 1193486705 /nfs/dbraw/zinc/48/67/05/1193486705.db2.gz HSKZKDRJRNGYCI-JKSUJKDBSA-N 1 2 346.324 2.040 20 10 EECDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(Br)c3O)C[C@@H]21 ZINC000814173040 1199323876 /nfs/dbraw/zinc/32/38/76/1199323876.db2.gz HBJVSLRSXQNLNO-IAZYJMLFSA-N 1 2 326.190 2.006 20 10 EECDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc(Br)c3O)C[C@@H]21 ZINC000814173040 1199323880 /nfs/dbraw/zinc/32/38/80/1199323880.db2.gz HBJVSLRSXQNLNO-IAZYJMLFSA-N 1 2 326.190 2.006 20 10 EECDLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccc(O)cc2O)c1C ZINC001277192637 1301745351 /nfs/dbraw/zinc/74/53/51/1301745351.db2.gz RRTUOIOPGAMBES-ACJLOTCBSA-N 1 2 343.383 2.306 20 10 EECDLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccc(O)cc2O)c1C ZINC001277192637 1301745360 /nfs/dbraw/zinc/74/53/60/1301745360.db2.gz RRTUOIOPGAMBES-ACJLOTCBSA-N 1 2 343.383 2.306 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3cnccn3)CC2)cc1Cl ZINC001232263892 1304058084 /nfs/dbraw/zinc/05/80/84/1304058084.db2.gz BDGMXABZCHDJSW-UHFFFAOYSA-N 1 2 334.807 2.166 20 10 EECDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233080508 1304354921 /nfs/dbraw/zinc/35/49/21/1304354921.db2.gz VTOHPVVOAVGIFL-NSHDSACASA-N 1 2 337.326 2.122 20 10 EECDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233080508 1304354925 /nfs/dbraw/zinc/35/49/25/1304354925.db2.gz VTOHPVVOAVGIFL-NSHDSACASA-N 1 2 337.326 2.122 20 10 EECDLO O=C(C1CCCCC1)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486390 1304478694 /nfs/dbraw/zinc/47/86/94/1304478694.db2.gz LOKSSHXFILCLAR-UHFFFAOYSA-N 1 2 334.416 2.028 20 10 EECDLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921362 1305727690 /nfs/dbraw/zinc/72/76/90/1305727690.db2.gz DRGGPONYEKJYHN-DZGCQCFKSA-N 1 2 342.842 2.329 20 10 EECDLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921362 1305727705 /nfs/dbraw/zinc/72/77/05/1305727705.db2.gz DRGGPONYEKJYHN-DZGCQCFKSA-N 1 2 342.842 2.329 20 10 EECDLO COc1cc(O)c(C[N@H+]2CC[C@](F)(CO)C2)c(Br)c1 ZINC001237062201 1305782892 /nfs/dbraw/zinc/78/28/92/1305782892.db2.gz LFHNUBQQTPOABX-CYBMUJFWSA-N 1 2 334.185 2.070 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(Br)c1 ZINC001237061766 1305782036 /nfs/dbraw/zinc/78/20/36/1305782036.db2.gz HNGQWRBRNZDSNT-IUCAKERBSA-N 1 2 334.185 2.068 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2CO)c(Br)c1 ZINC001237061766 1305782041 /nfs/dbraw/zinc/78/20/41/1305782041.db2.gz HNGQWRBRNZDSNT-IUCAKERBSA-N 1 2 334.185 2.068 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CC[C@](F)(CO)C2)c(Br)c1 ZINC001237062201 1305782882 /nfs/dbraw/zinc/78/28/82/1305782882.db2.gz LFHNUBQQTPOABX-CYBMUJFWSA-N 1 2 334.185 2.070 20 10 EECDLO C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)n1cc[nH+]c1 ZINC001116361144 1305879007 /nfs/dbraw/zinc/87/90/07/1305879007.db2.gz IKGUFQCJXHKSRT-HOCLYGCPSA-N 1 2 329.400 2.358 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(OC)nc(OC)c3)CC2)cc1 ZINC001237553207 1305977101 /nfs/dbraw/zinc/97/71/01/1305977101.db2.gz NVUDTCZZEDINCC-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO COC(=O)N1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139125186 1314707350 /nfs/dbraw/zinc/70/73/50/1314707350.db2.gz OUPBSHVJNNEWLD-UHFFFAOYSA-N 1 2 346.383 2.081 20 10 EECDLO COC(=O)N1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139125186 1314707353 /nfs/dbraw/zinc/70/73/53/1314707353.db2.gz OUPBSHVJNNEWLD-UHFFFAOYSA-N 1 2 346.383 2.081 20 10 EECDLO [NH3+][C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001206682744 1321429185 /nfs/dbraw/zinc/42/91/85/1321429185.db2.gz DVFFYLCOQMGXTN-JTQLQIEISA-N 1 2 326.265 2.459 20 10 EECDLO COc1cc(C[NH+]2CC(CNC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204343862 1322119493 /nfs/dbraw/zinc/11/94/93/1322119493.db2.gz UCLHOQQOFABJPZ-UHFFFAOYSA-N 1 2 338.404 2.063 20 10 EECDLO CCOC1CC(CC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)C1 ZINC001604407934 1350931273 /nfs/dbraw/zinc/93/12/73/1350931273.db2.gz BCBVNXZIDYCBKM-HIFPTAJRSA-N 1 2 331.420 2.428 20 10 EECDLO C[C@H]([NH2+]CCN1CCCC1(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589960578 1349080742 /nfs/dbraw/zinc/08/07/42/1349080742.db2.gz CDAQBGHJDXWKHW-LBPRGKRZSA-N 1 2 330.436 2.097 20 10 EECDLO C[C@@H]([NH2+]CCSC(F)(F)F)c1cccc(-c2nn[nH]n2)c1O ZINC001589963145 1349083707 /nfs/dbraw/zinc/08/37/07/1349083707.db2.gz LJMRWJSJGFIRAV-SSDOTTSWSA-N 1 2 333.339 2.476 20 10 EECDLO CCC(CC)(C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)C(=O)OC ZINC001590428255 1349320048 /nfs/dbraw/zinc/32/00/48/1349320048.db2.gz QMWPQPOAPAHICV-LLVKDONJSA-N 1 2 347.419 2.202 20 10 EECDLO Cc1cccc(C[N@@H+]2C[C@]3(F)CN(CC(F)F)C(=O)[C@]3(F)C2)c1O ZINC001273768910 1368632875 /nfs/dbraw/zinc/63/28/75/1368632875.db2.gz AMPOEXDCUSUBRF-JKSUJKDBSA-N 1 2 346.324 2.040 20 10 EECDLO Cc1cccc(C[N@H+]2C[C@]3(F)CN(CC(F)F)C(=O)[C@]3(F)C2)c1O ZINC001273768910 1368632879 /nfs/dbraw/zinc/63/28/79/1368632879.db2.gz AMPOEXDCUSUBRF-JKSUJKDBSA-N 1 2 346.324 2.040 20 10 EECDLO COCn1ncc(C)c1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001120018802 1371799468 /nfs/dbraw/zinc/79/94/68/1371799468.db2.gz YPBIYJIDJAOHPO-UHFFFAOYSA-N 1 2 348.422 2.265 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1)c1cccnc1 ZINC001137841686 1372283149 /nfs/dbraw/zinc/28/31/49/1372283149.db2.gz PYVTXBMOMAWTHN-CQSZACIVSA-N 1 2 329.375 2.321 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1)c1cccnc1 ZINC001137841686 1372283150 /nfs/dbraw/zinc/28/31/50/1372283150.db2.gz PYVTXBMOMAWTHN-CQSZACIVSA-N 1 2 329.375 2.321 20 10 EECDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000830729065 1372345359 /nfs/dbraw/zinc/34/53/59/1372345359.db2.gz TXOBIJDBFIXZEU-HNNXBMFYSA-N 1 2 331.460 2.012 20 10 EECDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000830729065 1372345365 /nfs/dbraw/zinc/34/53/65/1372345365.db2.gz TXOBIJDBFIXZEU-HNNXBMFYSA-N 1 2 331.460 2.012 20 10 EECDLO CCC1(O)CCC([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001590501553 1403881458 /nfs/dbraw/zinc/88/14/58/1403881458.db2.gz XWGOKAMHEJITFV-ZBFVHZJFSA-N 1 2 331.420 2.307 20 10 EECDLO CO[C@@H](C)C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001089810156 776041755 /nfs/dbraw/zinc/04/17/55/776041755.db2.gz IZXVXTFCVNPPCR-AWEZNQCLSA-N 1 2 344.459 2.340 20 10 EECDLO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000846442793 790185427 /nfs/dbraw/zinc/18/54/27/790185427.db2.gz YAESZXCQFGKJHZ-OAHLLOKOSA-N 1 2 342.443 2.049 20 10 EECDLO Oc1c(Cl)cccc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826510627 948432512 /nfs/dbraw/zinc/43/25/12/948432512.db2.gz BHRLFGNSMBZTTG-UHFFFAOYSA-N 1 2 345.790 2.394 20 10 EECDLO O=C(NCCCn1cc[nH+]c1)NCc1c(O)ccc2c1CCCC2 ZINC000080612700 463337266 /nfs/dbraw/zinc/33/72/66/463337266.db2.gz XKOOJOMWDYDEBT-UHFFFAOYSA-N 1 2 328.416 2.357 20 10 EECDLO CCN(CC)c1ccc(C[N@@H+]2CCc3c(nnn3CCOC)C2)cc1 ZINC000293753927 464420266 /nfs/dbraw/zinc/42/02/66/464420266.db2.gz XCHVKGHZCHDVKH-UHFFFAOYSA-N 1 2 343.475 2.329 20 10 EECDLO CCN(CC)c1ccc(C[N@H+]2CCc3c(nnn3CCOC)C2)cc1 ZINC000293753927 464420271 /nfs/dbraw/zinc/42/02/71/464420271.db2.gz XCHVKGHZCHDVKH-UHFFFAOYSA-N 1 2 343.475 2.329 20 10 EECDLO COC(=O)c1ccc(NC2CC[NH+](c3ccc(OC)cc3)CC2)nn1 ZINC000301154502 465911917 /nfs/dbraw/zinc/91/19/17/465911917.db2.gz FLPNXVKLXQZPIB-UHFFFAOYSA-N 1 2 342.399 2.353 20 10 EECDLO CCCn1ncnc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000375736416 466872784 /nfs/dbraw/zinc/87/27/84/466872784.db2.gz NMEUNSQJDCSCFW-UHFFFAOYSA-N 1 2 329.448 2.409 20 10 EECDLO CCCn1ncnc1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000375736416 466872789 /nfs/dbraw/zinc/87/27/89/466872789.db2.gz NMEUNSQJDCSCFW-UHFFFAOYSA-N 1 2 329.448 2.409 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NC[C@]3(C)CCOC3)CC2)cc1 ZINC000733353167 577225105 /nfs/dbraw/zinc/22/51/05/577225105.db2.gz VXTFIKHUEGAYBN-IBGZPJMESA-N 1 2 347.459 2.390 20 10 EECDLO CCCN1CC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000761223082 577679635 /nfs/dbraw/zinc/67/96/35/577679635.db2.gz NVNUSQDTWYIMKM-UHFFFAOYSA-N 1 2 331.416 2.338 20 10 EECDLO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756592917 577847325 /nfs/dbraw/zinc/84/73/25/577847325.db2.gz JKHUKIKXCFGWAP-WPRPVWTQSA-N 1 2 336.201 2.342 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)N[C@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000743656077 577888657 /nfs/dbraw/zinc/88/86/57/577888657.db2.gz YAOAZIAIROEUAD-CABCVRRESA-N 1 2 347.459 2.388 20 10 EECDLO Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(N(C)C)[nH+]1 ZINC000162610892 684790103 /nfs/dbraw/zinc/79/01/03/684790103.db2.gz RBACOBMRBMRKKT-UHFFFAOYSA-N 1 2 330.388 2.231 20 10 EECDLO O=C1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CN1C1CC1 ZINC000883027785 1201998765 /nfs/dbraw/zinc/99/87/65/1201998765.db2.gz OQYNKRYBBNBHNP-JTQLQIEISA-N 1 2 343.196 2.147 20 10 EECDLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883079545 1202007761 /nfs/dbraw/zinc/00/77/61/1202007761.db2.gz WSTLWXYZXIWINS-CMPLNLGQSA-N 1 2 345.212 2.298 20 10 EECDLO OC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CCCOC1 ZINC000883146533 1202021004 /nfs/dbraw/zinc/02/10/04/1202021004.db2.gz PKZPKFMJNAALLC-ZANVPECISA-N 1 2 348.212 2.171 20 10 EECDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000157089761 1208367137 /nfs/dbraw/zinc/36/71/37/1208367137.db2.gz GHTARNIJXSJCRX-UHFFFAOYSA-N 1 2 341.473 2.404 20 10 EECDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+](CCS(C)(=O)=O)C2CC2)c1 ZINC000157089761 1208367140 /nfs/dbraw/zinc/36/71/40/1208367140.db2.gz GHTARNIJXSJCRX-UHFFFAOYSA-N 1 2 341.473 2.404 20 10 EECDLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(N2CCSCC2)cc1 ZINC000189159585 1209024608 /nfs/dbraw/zinc/02/46/08/1209024608.db2.gz ZPAINTOHUBHGSK-UHFFFAOYSA-N 1 2 330.457 2.212 20 10 EECDLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(N2CCSCC2)cc1 ZINC000189159585 1209024613 /nfs/dbraw/zinc/02/46/13/1209024613.db2.gz ZPAINTOHUBHGSK-UHFFFAOYSA-N 1 2 330.457 2.212 20 10 EECDLO COc1cc(O)c(CN2CCC[C@]3(C2)C[N@H+](C)CCO3)c(Cl)c1 ZINC001276805793 1298051224 /nfs/dbraw/zinc/05/12/24/1298051224.db2.gz MDKNPNBTWHHRQM-QGZVFWFLSA-N 1 2 340.851 2.351 20 10 EECDLO COc1cc(O)c(CN2CCC[C@]3(C2)C[N@@H+](C)CCO3)c(Cl)c1 ZINC001276805793 1298051229 /nfs/dbraw/zinc/05/12/29/1298051229.db2.gz MDKNPNBTWHHRQM-QGZVFWFLSA-N 1 2 340.851 2.351 20 10 EECDLO CCN(C(=O)[C@@H]1CCC2(C[NH+](Cc3ccc(O)cc3O)C2)O1)C(C)C ZINC001277192831 1301746489 /nfs/dbraw/zinc/74/64/89/1301746489.db2.gz VPEGREYUKDMKSF-KRWDZBQOSA-N 1 2 348.443 2.088 20 10 EECDLO C[C@H](NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F)c1ncc[nH]1 ZINC001277484516 1303613996 /nfs/dbraw/zinc/61/39/96/1303613996.db2.gz QGLPOMNHCUBWGS-OAVHHTNSSA-N 1 2 344.390 2.096 20 10 EECDLO C[C@H](NC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F)c1ncc[nH]1 ZINC001277484516 1303614000 /nfs/dbraw/zinc/61/40/00/1303614000.db2.gz QGLPOMNHCUBWGS-OAVHHTNSSA-N 1 2 344.390 2.096 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c1O ZINC001231548261 1303840773 /nfs/dbraw/zinc/84/07/73/1303840773.db2.gz RDJHWJFUTKZEHP-UWVGGRQHSA-N 1 2 348.212 2.316 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c1O ZINC001231548261 1303840775 /nfs/dbraw/zinc/84/07/75/1303840775.db2.gz RDJHWJFUTKZEHP-UWVGGRQHSA-N 1 2 348.212 2.316 20 10 EECDLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000784063123 1304410235 /nfs/dbraw/zinc/41/02/35/1304410235.db2.gz BSBBHWOPBUATAW-KGLIPLIRSA-N 1 2 346.431 2.464 20 10 EECDLO Oc1cc(O)c(C[NH+]2CC3(CCN3Cc3ccccc3)C2)cc1O ZINC001233485829 1304478129 /nfs/dbraw/zinc/47/81/29/1304478129.db2.gz MJCOYSUJVHTDKJ-UHFFFAOYSA-N 1 2 326.396 2.264 20 10 EECDLO COc1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c(O)c1Cl ZINC001236800591 1305681756 /nfs/dbraw/zinc/68/17/56/1305681756.db2.gz AXKJQOXLNAWKBQ-GFCCVEGCSA-N 1 2 327.808 2.170 20 10 EECDLO COc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(O)c1Cl ZINC001236806872 1305682828 /nfs/dbraw/zinc/68/28/28/1305682828.db2.gz KBFDEUSEQMWSAE-UHFFFAOYSA-N 1 2 327.808 2.436 20 10 EECDLO COc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)c(O)c1Cl ZINC001236806872 1305682833 /nfs/dbraw/zinc/68/28/33/1305682833.db2.gz KBFDEUSEQMWSAE-UHFFFAOYSA-N 1 2 327.808 2.436 20 10 EECDLO Oc1c(I)cccc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237784726 1306091662 /nfs/dbraw/zinc/09/16/62/1306091662.db2.gz XWOCMRPFTIXCHH-JOYOIKCWSA-N 1 2 345.180 2.218 20 10 EECDLO c1cc(N2CCOCC2)ccc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000840248198 1315334492 /nfs/dbraw/zinc/33/44/92/1315334492.db2.gz GRLDCBJCNKWPHX-UHFFFAOYSA-N 1 2 325.416 2.500 20 10 EECDLO c1cc(N2CCOCC2)ccc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000840248198 1315334496 /nfs/dbraw/zinc/33/44/96/1315334496.db2.gz GRLDCBJCNKWPHX-UHFFFAOYSA-N 1 2 325.416 2.500 20 10 EECDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000840374892 1315358151 /nfs/dbraw/zinc/35/81/51/1315358151.db2.gz CEQGCFIXPCRMCU-CQSZACIVSA-N 1 2 329.448 2.225 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2)c1 ZINC001203680213 1321939992 /nfs/dbraw/zinc/93/99/92/1321939992.db2.gz LPRHUXLKNCXPIZ-UHFFFAOYSA-N 1 2 326.396 2.245 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CCN(Cc3ccccc3)C(=O)C2)c1 ZINC001203680213 1321940000 /nfs/dbraw/zinc/94/00/00/1321940000.db2.gz LPRHUXLKNCXPIZ-UHFFFAOYSA-N 1 2 326.396 2.245 20 10 EECDLO CC(C)N(C)C(=O)c1noc2c1C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001204272721 1322098221 /nfs/dbraw/zinc/09/82/21/1322098221.db2.gz HRMFZIYPMWBJHX-UHFFFAOYSA-N 1 2 345.399 2.125 20 10 EECDLO CC(C)N(C)C(=O)c1noc2c1C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001204272721 1322098225 /nfs/dbraw/zinc/09/82/25/1322098225.db2.gz HRMFZIYPMWBJHX-UHFFFAOYSA-N 1 2 345.399 2.125 20 10 EECDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204329214 1322113288 /nfs/dbraw/zinc/11/32/88/1322113288.db2.gz HHXAHFSQWPZDQC-GOSISDBHSA-N 1 2 332.444 2.441 20 10 EECDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204329214 1322113293 /nfs/dbraw/zinc/11/32/93/1322113293.db2.gz HHXAHFSQWPZDQC-GOSISDBHSA-N 1 2 332.444 2.441 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(O)c(O)c(OC)c3)CC2)cc1 ZINC001204340300 1322116317 /nfs/dbraw/zinc/11/63/17/1322116317.db2.gz KYNCJVPRFMOJMR-UHFFFAOYSA-N 1 2 344.411 2.437 20 10 EECDLO C[NH+]1CCN(c2ccc(C=C3SC(=S)NC3=O)cc2F)CC1 ZINC001319136012 1332654783 /nfs/dbraw/zinc/65/47/83/1332654783.db2.gz JQTOJIUVFLHXNW-LCYFTJDESA-N 1 2 337.445 2.066 20 10 EECDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001331461152 1335018136 /nfs/dbraw/zinc/01/81/36/1335018136.db2.gz FKASRSYCWLWJOC-HDICACEKSA-N 1 2 341.455 2.461 20 10 EECDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001331461152 1335018139 /nfs/dbraw/zinc/01/81/39/1335018139.db2.gz FKASRSYCWLWJOC-HDICACEKSA-N 1 2 341.455 2.461 20 10 EECDLO COc1ccc(N2CCN(c3cc(N(C)C)[nH+]cn3)CC2)cc1F ZINC001333668718 1336100529 /nfs/dbraw/zinc/10/05/29/1336100529.db2.gz PUYPZRMWUVESNY-UHFFFAOYSA-N 1 2 331.395 2.017 20 10 EECDLO COc1ccc(N2CCN(c3cc(N(C)C)nc[nH+]3)CC2)cc1F ZINC001333668718 1336100536 /nfs/dbraw/zinc/10/05/36/1336100536.db2.gz PUYPZRMWUVESNY-UHFFFAOYSA-N 1 2 331.395 2.017 20 10 EECDLO CC[C@@H]([NH2+][C@H](C)CN(CC)CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590462728 1349337927 /nfs/dbraw/zinc/33/79/27/1349337927.db2.gz RZEYOSDNLJYBJN-IUODEOHRSA-N 1 2 332.452 2.343 20 10 EECDLO CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590462726 1349338585 /nfs/dbraw/zinc/33/85/85/1349338585.db2.gz RZEYOSDNLJYBJN-DOMZBBRYSA-N 1 2 332.452 2.343 20 10 EECDLO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463084 1349338744 /nfs/dbraw/zinc/33/87/44/1349338744.db2.gz GVJBBGKBWYNLEL-JKSUJKDBSA-N 1 2 339.399 2.347 20 10 EECDLO Oc1c(Cl)cc(Cl)cc1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001593539238 1349835994 /nfs/dbraw/zinc/83/59/94/1349835994.db2.gz VPYQEEFEPBCRTH-UHFFFAOYSA-N 1 2 337.170 2.308 20 10 EECDLO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001603662713 1350736794 /nfs/dbraw/zinc/73/67/94/1350736794.db2.gz NXBJBHLRIYCGIC-QWHCGFSZSA-N 1 2 330.436 2.097 20 10 EECDLO CC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604052576 1350840437 /nfs/dbraw/zinc/84/04/37/1350840437.db2.gz CGJHFZOHDNFXCK-HUBLWGQQSA-N 1 2 331.420 2.164 20 10 EECDLO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000088658241 1356826234 /nfs/dbraw/zinc/82/62/34/1356826234.db2.gz TWZLMNSZCARTDL-GFCCVEGCSA-N 1 2 333.215 2.036 20 10 EECDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829092748 1372268431 /nfs/dbraw/zinc/26/84/31/1372268431.db2.gz NDOJAJUWZSPZMU-MOPGFXCFSA-N 1 2 346.471 2.484 20 10 EECDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829092748 1372268435 /nfs/dbraw/zinc/26/84/35/1372268435.db2.gz NDOJAJUWZSPZMU-MOPGFXCFSA-N 1 2 346.471 2.484 20 10 EECDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)CC(F)(F)F ZINC000823576560 787805317 /nfs/dbraw/zinc/80/53/17/787805317.db2.gz SOHOQZVQSYWCQI-GFCCVEGCSA-N 1 2 335.322 2.071 20 10 EECDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)CC(F)(F)F ZINC000823576560 787805332 /nfs/dbraw/zinc/80/53/32/787805332.db2.gz SOHOQZVQSYWCQI-GFCCVEGCSA-N 1 2 335.322 2.071 20 10 EECDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000844402867 789070554 /nfs/dbraw/zinc/07/05/54/789070554.db2.gz UWDIPWKVUVMOTM-QZTJIDSGSA-N 1 2 342.439 2.358 20 10 EECDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000844402867 789070562 /nfs/dbraw/zinc/07/05/62/789070562.db2.gz UWDIPWKVUVMOTM-QZTJIDSGSA-N 1 2 342.439 2.358 20 10 EECDLO CSC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715759325 795495608 /nfs/dbraw/zinc/49/56/08/795495608.db2.gz LSGHIAOHNREFAY-GFCCVEGCSA-N 1 2 338.242 2.497 20 10 EECDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175072 809638470 /nfs/dbraw/zinc/63/84/70/809638470.db2.gz MVGVZIHCLDZUIX-JTQLQIEISA-N 1 2 327.787 2.221 20 10 EECDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175072 809638475 /nfs/dbraw/zinc/63/84/75/809638475.db2.gz MVGVZIHCLDZUIX-JTQLQIEISA-N 1 2 327.787 2.221 20 10 EECDLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(N2CCOCC2)cc1 ZINC000793209136 810208312 /nfs/dbraw/zinc/20/83/12/810208312.db2.gz NCURBHGYLTYBKP-OAHLLOKOSA-N 1 2 342.443 2.067 20 10 EECDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000093458255 533646063 /nfs/dbraw/zinc/64/60/63/533646063.db2.gz MIQKDYGUQMIITE-GOSISDBHSA-N 1 2 332.444 2.441 20 10 EECDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000093458255 533646074 /nfs/dbraw/zinc/64/60/74/533646074.db2.gz MIQKDYGUQMIITE-GOSISDBHSA-N 1 2 332.444 2.441 20 10 EECDLO C[N@@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1Cc1ccccc1 ZINC000296016887 465052012 /nfs/dbraw/zinc/05/20/12/465052012.db2.gz MVTDZHVJXSPFEB-CQSZACIVSA-N 1 2 344.386 2.236 20 10 EECDLO C[N@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1Cc1ccccc1 ZINC000296016887 465052014 /nfs/dbraw/zinc/05/20/14/465052014.db2.gz MVTDZHVJXSPFEB-CQSZACIVSA-N 1 2 344.386 2.236 20 10 EECDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3ccco3)CC2)cc1 ZINC000007494217 462738917 /nfs/dbraw/zinc/73/89/17/462738917.db2.gz MPSURMASSAXTID-UHFFFAOYSA-N 1 2 343.427 2.069 20 10 EECDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC000007494217 462738920 /nfs/dbraw/zinc/73/89/20/462738920.db2.gz MPSURMASSAXTID-UHFFFAOYSA-N 1 2 343.427 2.069 20 10 EECDLO COc1cccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)c1O ZINC000091479345 462882564 /nfs/dbraw/zinc/88/25/64/462882564.db2.gz FVZDAWZQMHYGHE-CYBMUJFWSA-N 1 2 344.415 2.012 20 10 EECDLO COc1cccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)c1O ZINC000091479345 462882569 /nfs/dbraw/zinc/88/25/69/462882569.db2.gz FVZDAWZQMHYGHE-CYBMUJFWSA-N 1 2 344.415 2.012 20 10 EECDLO COc1ccc(N2CCC(NC(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000069582974 463281083 /nfs/dbraw/zinc/28/10/83/463281083.db2.gz WIZHGQRPUARWQN-UHFFFAOYSA-N 1 2 328.416 2.067 20 10 EECDLO COc1ccc(N2CC[NH+](Cn3c4ccccc4oc3=O)CC2)cc1 ZINC000058158736 463545737 /nfs/dbraw/zinc/54/57/37/463545737.db2.gz RJXGPOCSGUBMIZ-UHFFFAOYSA-N 1 2 339.395 2.383 20 10 EECDLO COc1ccccc1C[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237166178 464276002 /nfs/dbraw/zinc/27/60/02/464276002.db2.gz USFQZGLACMAFKR-UHFFFAOYSA-N 1 2 339.439 2.164 20 10 EECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(Cc3ccccn3)CC2)c1O ZINC000177239047 464966987 /nfs/dbraw/zinc/96/69/87/464966987.db2.gz FKKZIJWQLWUJOI-UHFFFAOYSA-N 1 2 343.402 2.447 20 10 EECDLO Cn1cccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775645213 577441693 /nfs/dbraw/zinc/44/16/93/577441693.db2.gz FNQQLQUGKJJRQK-UHFFFAOYSA-N 1 2 333.819 2.342 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000754738325 577811782 /nfs/dbraw/zinc/81/17/82/577811782.db2.gz XWSWXSHNBRKRKQ-HNNXBMFYSA-N 1 2 337.416 2.252 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000754738325 577811783 /nfs/dbraw/zinc/81/17/83/577811783.db2.gz XWSWXSHNBRKRKQ-HNNXBMFYSA-N 1 2 337.416 2.252 20 10 EECDLO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756481559 577844823 /nfs/dbraw/zinc/84/48/23/577844823.db2.gz BTVDAGFNWQJMKY-VIFPVBQESA-N 1 2 336.404 2.039 20 10 EECDLO Nc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000311678010 682732973 /nfs/dbraw/zinc/73/29/73/682732973.db2.gz LFSZODISCYHWFF-SFHVURJKSA-N 1 2 340.427 2.291 20 10 EECDLO Nc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000311678010 682732979 /nfs/dbraw/zinc/73/29/79/682732979.db2.gz LFSZODISCYHWFF-SFHVURJKSA-N 1 2 340.427 2.291 20 10 EECDLO CCCC[C@@H](CC)C[NH+]1CC2(CN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001269919171 1184717519 /nfs/dbraw/zinc/71/75/19/1184717519.db2.gz JYZORZSNPYHIEE-CQSZACIVSA-N 1 2 347.459 2.467 20 10 EECDLO COC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000825633979 1198428193 /nfs/dbraw/zinc/42/81/93/1198428193.db2.gz GVELXXCGCQHHDH-GWCFXTLKSA-N 1 2 330.222 2.390 20 10 EECDLO COC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000825633979 1198428199 /nfs/dbraw/zinc/42/81/99/1198428199.db2.gz GVELXXCGCQHHDH-GWCFXTLKSA-N 1 2 330.222 2.390 20 10 EECDLO CCn1nccc1C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877708146 1200044374 /nfs/dbraw/zinc/04/43/74/1200044374.db2.gz BKMCLEMQUYKTRT-UHFFFAOYSA-N 1 2 330.432 2.242 20 10 EECDLO Oc1cc(F)cc(F)c1CN1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001275306411 1205304424 /nfs/dbraw/zinc/30/44/24/1205304424.db2.gz HKSSNRMUPNDOPC-GASCZTMLSA-N 1 2 338.398 2.498 20 10 EECDLO Oc1cc(F)cc(F)c1CN1C[C@@H]2C[N@@H+](C3CCCC3)C[C@H](C1)O2 ZINC001275306411 1205304425 /nfs/dbraw/zinc/30/44/25/1205304425.db2.gz HKSSNRMUPNDOPC-GASCZTMLSA-N 1 2 338.398 2.498 20 10 EECDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275913476 1205583277 /nfs/dbraw/zinc/58/32/77/1205583277.db2.gz NQZLPJHQJNVRPP-IYBDPMFKSA-N 1 2 342.374 2.417 20 10 EECDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275913476 1205583278 /nfs/dbraw/zinc/58/32/78/1205583278.db2.gz NQZLPJHQJNVRPP-IYBDPMFKSA-N 1 2 342.374 2.417 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ncco1 ZINC000924727459 1206024832 /nfs/dbraw/zinc/02/48/32/1206024832.db2.gz WDURGKDWGGQGFM-UKRRQHHQSA-N 1 2 328.416 2.227 20 10 EECDLO COc1ccc(N2CCC(NC(=O)CNc3cccc[nH+]3)CC2)cc1 ZINC000900508834 1234428069 /nfs/dbraw/zinc/42/80/69/1234428069.db2.gz PSIMZBQJZJRCGT-UHFFFAOYSA-N 1 2 340.427 2.287 20 10 EECDLO CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001051263660 1245452503 /nfs/dbraw/zinc/45/25/03/1245452503.db2.gz GZBFBYYVZRAHNW-HNNXBMFYSA-N 1 2 347.419 2.080 20 10 EECDLO CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001051263660 1245452506 /nfs/dbraw/zinc/45/25/06/1245452506.db2.gz GZBFBYYVZRAHNW-HNNXBMFYSA-N 1 2 347.419 2.080 20 10 EECDLO C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850558083 1277267472 /nfs/dbraw/zinc/26/74/72/1277267472.db2.gz SNVCJKYRHRNSFZ-IUODEOHRSA-N 1 2 335.404 2.204 20 10 EECDLO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c(O)c1Cl ZINC001236813519 1305687847 /nfs/dbraw/zinc/68/78/47/1305687847.db2.gz NZBKLJSUYRWEFH-JYAVWHMHSA-N 1 2 338.835 2.257 20 10 EECDLO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c(O)c1Cl ZINC001236813519 1305687851 /nfs/dbraw/zinc/68/78/51/1305687851.db2.gz NZBKLJSUYRWEFH-JYAVWHMHSA-N 1 2 338.835 2.257 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(C)c21 ZINC001238062596 1306206638 /nfs/dbraw/zinc/20/66/38/1306206638.db2.gz VALXWMZSJACCAA-CYBMUJFWSA-N 1 2 334.395 2.104 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(C)c21 ZINC001238062596 1306206644 /nfs/dbraw/zinc/20/66/44/1306206644.db2.gz VALXWMZSJACCAA-CYBMUJFWSA-N 1 2 334.395 2.104 20 10 EECDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccccc3O)nc[nH+]2)C1 ZINC000840281740 1315344114 /nfs/dbraw/zinc/34/41/14/1315344114.db2.gz ZLERUOKOVNBUES-KBPBESRZSA-N 1 2 328.416 2.026 20 10 EECDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccccc3O)[nH+]cn2)C1 ZINC000840281740 1315344119 /nfs/dbraw/zinc/34/41/19/1315344119.db2.gz ZLERUOKOVNBUES-KBPBESRZSA-N 1 2 328.416 2.026 20 10 EECDLO CN(CC[NH3+])Cc1cc(Br)cc(Br)c1O ZINC000841100209 1315475740 /nfs/dbraw/zinc/47/57/40/1315475740.db2.gz GRQPGESQXAJEEU-UHFFFAOYSA-N 1 2 338.043 2.308 20 10 EECDLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000842912123 1315797930 /nfs/dbraw/zinc/79/79/30/1315797930.db2.gz QWYVVUUHOAHPRJ-UPZJHPNMSA-N 1 2 334.185 2.358 20 10 EECDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc2cc(O)c(O)cc2oc1=O ZINC001155223773 1317508048 /nfs/dbraw/zinc/50/80/48/1317508048.db2.gz LDUWOOWDGINISN-UHFFFAOYSA-N 1 2 337.291 2.104 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cnn(CC)c21 ZINC001203877808 1321980466 /nfs/dbraw/zinc/98/04/66/1321980466.db2.gz KHCMMZIETVCSJK-OAHLLOKOSA-N 1 2 331.416 2.450 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cnn(CC)c21 ZINC001203877808 1321980470 /nfs/dbraw/zinc/98/04/70/1321980470.db2.gz KHCMMZIETVCSJK-OAHLLOKOSA-N 1 2 331.416 2.450 20 10 EECDLO C[N@@H+]1CCO[C@]2(CCCN(Cc3cc(Cl)c(O)cc3O)C2)C1 ZINC001276618141 1324815922 /nfs/dbraw/zinc/81/59/22/1324815922.db2.gz YQYFLPMDHXRGBP-MRXNPFEDSA-N 1 2 326.824 2.048 20 10 EECDLO C[N@H+]1CCO[C@]2(CCCN(Cc3cc(Cl)c(O)cc3O)C2)C1 ZINC001276618141 1324815925 /nfs/dbraw/zinc/81/59/25/1324815925.db2.gz YQYFLPMDHXRGBP-MRXNPFEDSA-N 1 2 326.824 2.048 20 10 EECDLO CCOc1ccc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC001319842169 1332780767 /nfs/dbraw/zinc/78/07/67/1332780767.db2.gz JUCYCCBOGHNTSS-UHFFFAOYSA-N 1 2 338.415 2.089 20 10 EECDLO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978784 1349090933 /nfs/dbraw/zinc/09/09/33/1349090933.db2.gz QDHDIAVHKKLFII-LBPRGKRZSA-N 1 2 330.436 2.097 20 10 EECDLO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)cc1 ZINC001590002743 1349102556 /nfs/dbraw/zinc/10/25/56/1349102556.db2.gz GTJHBTORVFOZSH-RYUDHWBXSA-N 1 2 339.399 2.476 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466655 1349341591 /nfs/dbraw/zinc/34/15/91/1349341591.db2.gz LJLDSPZHMKRVJD-FJJYHAOUSA-N 1 2 331.420 2.427 20 10 EECDLO COC(=O)c1cc2[nH+]c[nH]c2c(NCCc2cc(O)c(O)cc2O)c1 ZINC001168006463 781652418 /nfs/dbraw/zinc/65/24/18/781652418.db2.gz WZVATKCXZVPAPD-UHFFFAOYSA-N 1 2 343.339 2.121 20 10 EECDLO COc1ccc(N2CC[C@H](CNC(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC000819582903 785594875 /nfs/dbraw/zinc/59/48/75/785594875.db2.gz REIBGLSUIVNNIE-MRXNPFEDSA-N 1 2 342.443 2.315 20 10 EECDLO CCOC(=O)C[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1O ZINC000823581503 787806520 /nfs/dbraw/zinc/80/65/20/787806520.db2.gz LFCNOPHHMVCSGE-HNNXBMFYSA-N 1 2 348.443 2.158 20 10 EECDLO CCOC(=O)C[N@@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1O ZINC000823581503 787806528 /nfs/dbraw/zinc/80/65/28/787806528.db2.gz LFCNOPHHMVCSGE-HNNXBMFYSA-N 1 2 348.443 2.158 20 10 EECDLO C[NH+]1CC2(C1)CCN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144308444 789535277 /nfs/dbraw/zinc/53/52/77/789535277.db2.gz YVPSNIVMGWXYHW-UHFFFAOYSA-N 1 2 329.213 2.431 20 10 EECDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H](C)CCOCC(C)C ZINC001172456321 796998662 /nfs/dbraw/zinc/99/86/62/796998662.db2.gz ZRUPCNBAGBBHCV-HIFRSBDPSA-N 1 2 339.432 2.223 20 10 EECDLO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1cccc(C(F)(F)F)c1O ZINC000788781510 807696502 /nfs/dbraw/zinc/69/65/02/807696502.db2.gz GXLNSVOHIMJGMU-SECBINFHSA-N 1 2 342.321 2.384 20 10 EECDLO CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001598314215 991294204 /nfs/dbraw/zinc/29/42/04/991294204.db2.gz IQDOPUIVKOWJFA-SFHVURJKSA-N 1 2 343.427 2.006 20 10 EECDLO Cc1cc(C(=O)NCC[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC000068927469 215347082 /nfs/dbraw/zinc/34/70/82/215347082.db2.gz DSYCQZSZJPPWSI-UHFFFAOYSA-N 1 2 327.428 2.156 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1F ZINC000084866780 237007249 /nfs/dbraw/zinc/00/72/49/237007249.db2.gz CKRWTSVEBOLWJO-HNNXBMFYSA-N 1 2 349.450 2.357 20 10 EECDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000133050212 462896610 /nfs/dbraw/zinc/89/66/10/462896610.db2.gz AODWNVGKMKCOBQ-LBPRGKRZSA-N 1 2 327.222 2.255 20 10 EECDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000133050212 462896614 /nfs/dbraw/zinc/89/66/14/462896614.db2.gz AODWNVGKMKCOBQ-LBPRGKRZSA-N 1 2 327.222 2.255 20 10 EECDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278478721 463966030 /nfs/dbraw/zinc/96/60/30/463966030.db2.gz IZPNLIULTCCSSG-GXFFZTMASA-N 1 2 338.360 2.083 20 10 EECDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278478721 463966032 /nfs/dbraw/zinc/96/60/32/463966032.db2.gz IZPNLIULTCCSSG-GXFFZTMASA-N 1 2 338.360 2.083 20 10 EECDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000281107829 464334917 /nfs/dbraw/zinc/33/49/17/464334917.db2.gz AXUPGQCTPWXQHT-SNVBAGLBSA-N 1 2 326.349 2.083 20 10 EECDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000281107829 464334922 /nfs/dbraw/zinc/33/49/22/464334922.db2.gz AXUPGQCTPWXQHT-SNVBAGLBSA-N 1 2 326.349 2.083 20 10 EECDLO CCCOc1ccc(C[N@@H+]2CCN(CC(C)(C)O)[C@H](C)C2)c(O)c1 ZINC000188897735 464390797 /nfs/dbraw/zinc/39/07/97/464390797.db2.gz NKUJUGZVEDLLCA-OAHLLOKOSA-N 1 2 336.476 2.458 20 10 EECDLO CCCOc1ccc(C[N@H+]2CCN(CC(C)(C)O)[C@H](C)C2)c(O)c1 ZINC000188897735 464390802 /nfs/dbraw/zinc/39/08/02/464390802.db2.gz NKUJUGZVEDLLCA-OAHLLOKOSA-N 1 2 336.476 2.458 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000272636977 464683722 /nfs/dbraw/zinc/68/37/22/464683722.db2.gz YPSRCYLDAIJJBX-UHFFFAOYSA-N 1 2 338.455 2.428 20 10 EECDLO CN(C)c1ccc(CNC(=O)C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000272636977 464683732 /nfs/dbraw/zinc/68/37/32/464683732.db2.gz YPSRCYLDAIJJBX-UHFFFAOYSA-N 1 2 338.455 2.428 20 10 EECDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000368281405 466594304 /nfs/dbraw/zinc/59/43/04/466594304.db2.gz BQXYBYHIVDVQKT-GOSISDBHSA-N 1 2 340.379 2.102 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000039561496 524424969 /nfs/dbraw/zinc/42/49/69/524424969.db2.gz VZOFAAFXYFNINT-UHFFFAOYSA-N 1 2 331.460 2.220 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729614697 576668794 /nfs/dbraw/zinc/66/87/94/576668794.db2.gz QLIKVXPMGMSTNU-INIZCTEOSA-N 1 2 348.491 2.005 20 10 EECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000729614697 576668795 /nfs/dbraw/zinc/66/87/95/576668795.db2.gz QLIKVXPMGMSTNU-INIZCTEOSA-N 1 2 348.491 2.005 20 10 EECDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C1=CC(=O)CS1 ZINC000731864186 577128505 /nfs/dbraw/zinc/12/85/05/577128505.db2.gz NMMIYQHNKAKUPA-UHFFFAOYSA-N 1 2 332.425 2.216 20 10 EECDLO O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000759594909 577646231 /nfs/dbraw/zinc/64/62/31/577646231.db2.gz OJPRYBBSPQQBQQ-ZZXKWVIFSA-N 1 2 337.335 2.435 20 10 EECDLO COc1ccc(N2CC[NH+](CN3C(=O)CC34CCC4)CC2)cc1F ZINC000754011818 577798623 /nfs/dbraw/zinc/79/86/23/577798623.db2.gz IHQVLINJHBRXCQ-UHFFFAOYSA-N 1 2 333.407 2.069 20 10 EECDLO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000756709906 577849131 /nfs/dbraw/zinc/84/91/31/577849131.db2.gz ZXFVGWNMLWOHQB-QMMMGPOBSA-N 1 2 341.260 2.289 20 10 EECDLO COc1cc(C)cc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000872755051 1198370375 /nfs/dbraw/zinc/37/03/75/1198370375.db2.gz GPRXVWPYTCFZMT-HNNXBMFYSA-N 1 2 346.349 2.352 20 10 EECDLO COc1cc(C)cc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1O ZINC000872755051 1198370382 /nfs/dbraw/zinc/37/03/82/1198370382.db2.gz GPRXVWPYTCFZMT-HNNXBMFYSA-N 1 2 346.349 2.352 20 10 EECDLO O=[N+]([O-])c1ccc(O)c(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000812778721 1200907316 /nfs/dbraw/zinc/90/73/16/1200907316.db2.gz NQNWWOCVPLZVHI-KRWDZBQOSA-N 1 2 343.383 2.479 20 10 EECDLO O=[N+]([O-])c1ccc(O)c(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000812778721 1200907327 /nfs/dbraw/zinc/90/73/27/1200907327.db2.gz NQNWWOCVPLZVHI-KRWDZBQOSA-N 1 2 343.383 2.479 20 10 EECDLO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001274365541 1205010268 /nfs/dbraw/zinc/01/02/68/1205010268.db2.gz FWJBNWKQIYESBP-MRXNPFEDSA-N 1 2 340.782 2.156 20 10 EECDLO CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001274365541 1205010271 /nfs/dbraw/zinc/01/02/71/1205010271.db2.gz FWJBNWKQIYESBP-MRXNPFEDSA-N 1 2 340.782 2.156 20 10 EECDLO COc1ccc(N2CC[C@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cc1 ZINC001274791499 1205164018 /nfs/dbraw/zinc/16/40/18/1205164018.db2.gz UCDKAYCGESETHR-LJQANCHMSA-N 1 2 340.427 2.058 20 10 EECDLO Oc1cccc(Cl)c1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001275217375 1205284041 /nfs/dbraw/zinc/28/40/41/1205284041.db2.gz KLMLFLLZZWWMFO-UHFFFAOYSA-N 1 2 332.835 2.477 20 10 EECDLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779525283 1210406493 /nfs/dbraw/zinc/40/64/93/1210406493.db2.gz JOFPMJVVHZDMLR-HWKANZROSA-N 1 2 340.370 2.299 20 10 EECDLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779525283 1210406494 /nfs/dbraw/zinc/40/64/94/1210406494.db2.gz JOFPMJVVHZDMLR-HWKANZROSA-N 1 2 340.370 2.299 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827674189 1248634313 /nfs/dbraw/zinc/63/43/13/1248634313.db2.gz FVRNDFLVBCGOSG-GOSISDBHSA-N 1 2 332.444 2.359 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827674189 1248634325 /nfs/dbraw/zinc/63/43/25/1248634325.db2.gz FVRNDFLVBCGOSG-GOSISDBHSA-N 1 2 332.444 2.359 20 10 EECDLO O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)c1cc(O)c(O)c(Cl)c1 ZINC001193633796 1282614734 /nfs/dbraw/zinc/61/47/34/1282614734.db2.gz HBGPZYUHORKOLQ-ZDUSSCGKSA-N 1 2 347.802 2.151 20 10 EECDLO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1O ZINC000857338948 1293797402 /nfs/dbraw/zinc/79/74/02/1293797402.db2.gz KMARQMSMJSJLCZ-CYBMUJFWSA-N 1 2 330.359 2.241 20 10 EECDLO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1c(F)ccc(O)c1O ZINC000857338948 1293797407 /nfs/dbraw/zinc/79/74/07/1293797407.db2.gz KMARQMSMJSJLCZ-CYBMUJFWSA-N 1 2 330.359 2.241 20 10 EECDLO COc1cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c(O)cc1O ZINC001231637573 1303873512 /nfs/dbraw/zinc/87/35/12/1303873512.db2.gz MYIWEHADHPNRGO-UHFFFAOYSA-N 1 2 327.384 2.332 20 10 EECDLO COc1cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c(O)cc1O ZINC001231637573 1303873517 /nfs/dbraw/zinc/87/35/17/1303873517.db2.gz MYIWEHADHPNRGO-UHFFFAOYSA-N 1 2 327.384 2.332 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)cc1 ZINC001233010565 1304326807 /nfs/dbraw/zinc/32/68/07/1304326807.db2.gz QNOSHCWENFRISS-UHFFFAOYSA-N 1 2 330.384 2.134 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)cc1Br ZINC001233134813 1304372767 /nfs/dbraw/zinc/37/27/67/1304372767.db2.gz FETFWVZLXMHGER-GXSJLCMTSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@H](F)C[C@H](CO)C2)cc1Br ZINC001233134813 1304372771 /nfs/dbraw/zinc/37/27/71/1304372771.db2.gz FETFWVZLXMHGER-GXSJLCMTSA-N 1 2 348.212 2.316 20 10 EECDLO Oc1cc(O)c(CN2CC[N@@H+]3CCc4ccccc4[C@H]3C2)cc1O ZINC001233486510 1304478212 /nfs/dbraw/zinc/47/82/12/1304478212.db2.gz PACXNFFQYPZQNB-MRXNPFEDSA-N 1 2 326.396 2.218 20 10 EECDLO Oc1cc(O)c(CN2CC[N@H+]3CCc4ccccc4[C@H]3C2)cc1O ZINC001233486510 1304478216 /nfs/dbraw/zinc/47/82/16/1304478216.db2.gz PACXNFFQYPZQNB-MRXNPFEDSA-N 1 2 326.396 2.218 20 10 EECDLO Oc1cc(O)c(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)cc1O ZINC001233485535 1304478452 /nfs/dbraw/zinc/47/84/52/1304478452.db2.gz AAWAPJPPNLQLOH-UHFFFAOYSA-N 1 2 326.396 2.121 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(Cl)c1 ZINC001236795091 1305679413 /nfs/dbraw/zinc/67/94/13/1305679413.db2.gz IMQWXKDBUOTLFI-QSGSBWRWSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(Cl)c1 ZINC001236795091 1305679418 /nfs/dbraw/zinc/67/94/18/1305679418.db2.gz IMQWXKDBUOTLFI-QSGSBWRWSA-N 1 2 327.808 2.026 20 10 EECDLO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2c(O)cc(F)cc2F)C1 ZINC001140581276 1314909266 /nfs/dbraw/zinc/90/92/66/1314909266.db2.gz NYEHZXCPMVBESP-LBPRGKRZSA-N 1 2 336.386 2.061 20 10 EECDLO Cc1cc(N2CCOCC2)cc2[nH+]c(-c3cc(O)c(O)cc3O)[nH]c21 ZINC001251355276 1317449760 /nfs/dbraw/zinc/44/97/60/1317449760.db2.gz BWMOGTGZZOPEHW-UHFFFAOYSA-N 1 2 341.367 2.492 20 10 EECDLO [NH3+][C@@H]1CN(Cc2cc(Br)c(F)cc2O)CCC1(F)F ZINC001206674671 1320456071 /nfs/dbraw/zinc/45/60/71/1320456071.db2.gz GDNILSKWZQBUQK-LLVKDONJSA-N 1 2 339.155 2.462 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2nnn(CC)c21 ZINC001203670931 1321936782 /nfs/dbraw/zinc/93/67/82/1321936782.db2.gz GZJWTYFBLXMNGD-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2nnn(CC)c21 ZINC001203670931 1321936783 /nfs/dbraw/zinc/93/67/83/1321936783.db2.gz GZJWTYFBLXMNGD-AWEZNQCLSA-N 1 2 346.431 2.148 20 10 EECDLO CN(Cc1ccc(O)c(O)c1)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001203881725 1321981880 /nfs/dbraw/zinc/98/18/80/1321981880.db2.gz UOVZYMBIBQVZJU-GOSISDBHSA-N 1 2 342.439 2.431 20 10 EECDLO CN(Cc1ccc(O)c(O)c1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001203881725 1321981882 /nfs/dbraw/zinc/98/18/82/1321981882.db2.gz UOVZYMBIBQVZJU-GOSISDBHSA-N 1 2 342.439 2.431 20 10 EECDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)cc2O)C[C@H](F)C1 ZINC001204276355 1322101783 /nfs/dbraw/zinc/10/17/83/1322101783.db2.gz KVFZFRWEAQVOMQ-ZDUSSCGKSA-N 1 2 340.395 2.489 20 10 EECDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)cc2O)C[C@H](F)C1 ZINC001204276355 1322101790 /nfs/dbraw/zinc/10/17/90/1322101790.db2.gz KVFZFRWEAQVOMQ-ZDUSSCGKSA-N 1 2 340.395 2.489 20 10 EECDLO COCC[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)C(F)(F)F ZINC000848921443 1338807154 /nfs/dbraw/zinc/80/71/54/1338807154.db2.gz BDHNDUNDHBEPAD-LLVKDONJSA-N 1 2 327.730 2.417 20 10 EECDLO COCC[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)C(F)(F)F ZINC000848921443 1338807155 /nfs/dbraw/zinc/80/71/55/1338807155.db2.gz BDHNDUNDHBEPAD-LLVKDONJSA-N 1 2 327.730 2.417 20 10 EECDLO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961987 1349081867 /nfs/dbraw/zinc/08/18/67/1349081867.db2.gz FXOZDZHLYLNQIY-NWDGAFQWSA-N 1 2 330.436 2.096 20 10 EECDLO CC[C@H]([NH2+]Cc1cccnc1OC)c1cccc(-c2nn[nH]n2)c1O ZINC001590470388 1349344122 /nfs/dbraw/zinc/34/41/22/1349344122.db2.gz WIEJIPBRSDWGJG-AWEZNQCLSA-N 1 2 340.387 2.217 20 10 EECDLO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001603656738 1350735802 /nfs/dbraw/zinc/73/58/02/1350735802.db2.gz IMZJRQDWBMZCAU-GFCCVEGCSA-N 1 2 343.431 2.166 20 10 EECDLO C[C@@H]([NH2+]CCOCc1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001603664157 1350737382 /nfs/dbraw/zinc/73/73/82/1350737382.db2.gz IFNOMYUWZWNVNX-CYBMUJFWSA-N 1 2 339.399 2.440 20 10 EECDLO CC[C@H]([NH2+]CCC1(COC)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604054657 1350841008 /nfs/dbraw/zinc/84/10/08/1350841008.db2.gz ITJXLMNYVFJUSD-AWEZNQCLSA-N 1 2 331.420 2.430 20 10 EECDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1c(O)cccc1F)C2 ZINC001137835865 1372281329 /nfs/dbraw/zinc/28/13/29/1372281329.db2.gz QHUFSWMWKXJGKE-UHFFFAOYSA-N 1 2 347.438 2.369 20 10 EECDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1c(O)cccc1F)C2 ZINC001137835865 1372281334 /nfs/dbraw/zinc/28/13/34/1372281334.db2.gz QHUFSWMWKXJGKE-UHFFFAOYSA-N 1 2 347.438 2.369 20 10 EECDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893949601 780335158 /nfs/dbraw/zinc/33/51/58/780335158.db2.gz NVXCUQTVUCCVLB-MRVPVSSYSA-N 1 2 332.169 2.289 20 10 EECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893949601 780335162 /nfs/dbraw/zinc/33/51/62/780335162.db2.gz NVXCUQTVUCCVLB-MRVPVSSYSA-N 1 2 332.169 2.289 20 10 EECDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000894046712 780459632 /nfs/dbraw/zinc/45/96/32/780459632.db2.gz PSUKYYQXDRFNGT-GXSJLCMTSA-N 1 2 348.262 2.068 20 10 EECDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1O ZINC000817413423 784767094 /nfs/dbraw/zinc/76/70/94/784767094.db2.gz XNHZBRWVQRFYFT-ZDUSSCGKSA-N 1 2 344.249 2.435 20 10 EECDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)c1O ZINC000817413423 784767103 /nfs/dbraw/zinc/76/71/03/784767103.db2.gz XNHZBRWVQRFYFT-ZDUSSCGKSA-N 1 2 344.249 2.435 20 10 EECDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000708173055 786764148 /nfs/dbraw/zinc/76/41/48/786764148.db2.gz UMWWMICWJBJXMO-SNVBAGLBSA-N 1 2 336.613 2.313 20 10 EECDLO OCCCN1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000824558983 788214823 /nfs/dbraw/zinc/21/48/23/788214823.db2.gz BKSYEENGKKMSFU-CYBMUJFWSA-N 1 2 343.265 2.091 20 10 EECDLO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000824709995 788283524 /nfs/dbraw/zinc/28/35/24/788283524.db2.gz VBGNQOOJJSZPMZ-GWCFXTLKSA-N 1 2 330.222 2.296 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922934629 788371641 /nfs/dbraw/zinc/37/16/41/788371641.db2.gz NQVCVIFHEDEVPM-LLVKDONJSA-N 1 2 334.185 2.189 20 10 EECDLO CCNC(=O)C[N@H+](CC)Cc1cc(Br)cc(F)c1O ZINC000715738976 795491838 /nfs/dbraw/zinc/49/18/38/795491838.db2.gz RDUBMKKDLFXSRS-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO CCNC(=O)C[N@@H+](CC)Cc1cc(Br)cc(F)c1O ZINC000715738976 795491841 /nfs/dbraw/zinc/49/18/41/795491841.db2.gz RDUBMKKDLFXSRS-UHFFFAOYSA-N 1 2 333.201 2.252 20 10 EECDLO CO[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOC1 ZINC000715814103 795537703 /nfs/dbraw/zinc/53/77/03/795537703.db2.gz PKWJRLMRHDFCTP-CYBMUJFWSA-N 1 2 334.185 2.189 20 10 EECDLO C[N@@H+](Cc1cc2c(cc1O)OCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000915801386 796414909 /nfs/dbraw/zinc/41/49/09/796414909.db2.gz DIBIJHHILCKWGD-UHFFFAOYSA-N 1 2 339.351 2.402 20 10 EECDLO C[N@H+](Cc1cc2c(cc1O)OCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000915801386 796414911 /nfs/dbraw/zinc/41/49/11/796414911.db2.gz DIBIJHHILCKWGD-UHFFFAOYSA-N 1 2 339.351 2.402 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC000789581096 808071844 /nfs/dbraw/zinc/07/18/44/808071844.db2.gz OKUJZAQZDNZLGU-OAHLLOKOSA-N 1 2 327.808 2.494 20 10 EECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(OCC)cc1O)C1CCOCC1 ZINC000789580873 808071902 /nfs/dbraw/zinc/07/19/02/808071902.db2.gz MPKNYRDDDMBJHM-KRWDZBQOSA-N 1 2 337.416 2.239 20 10 EECDLO COC[C@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000093528343 237045603 /nfs/dbraw/zinc/04/56/03/237045603.db2.gz QZLACRHAHZPSCF-GFCCVEGCSA-N 1 2 346.221 2.011 20 10 EECDLO COC[C@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000093528343 237045610 /nfs/dbraw/zinc/04/56/10/237045610.db2.gz QZLACRHAHZPSCF-GFCCVEGCSA-N 1 2 346.221 2.011 20 10 EECDLO COCc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cs1 ZINC000290994499 464139607 /nfs/dbraw/zinc/13/96/07/464139607.db2.gz AENVXKRSMSEMFZ-UHFFFAOYSA-N 1 2 339.373 2.202 20 10 EECDLO O=C(c1ccccn1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271085277 464279777 /nfs/dbraw/zinc/27/97/77/464279777.db2.gz YQMYIINPYFOLJG-UHFFFAOYSA-N 1 2 331.803 2.399 20 10 EECDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000271193962 464287678 /nfs/dbraw/zinc/28/76/78/464287678.db2.gz RXUZKXNVWAXJCY-GOSISDBHSA-N 1 2 341.363 2.393 20 10 EECDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000271193962 464287682 /nfs/dbraw/zinc/28/76/82/464287682.db2.gz RXUZKXNVWAXJCY-GOSISDBHSA-N 1 2 341.363 2.393 20 10 EECDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000293835604 464422594 /nfs/dbraw/zinc/42/25/94/464422594.db2.gz GUQPOOJTWQEGJG-CYBMUJFWSA-N 1 2 331.771 2.387 20 10 EECDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCc1ccccc1O ZINC000299492091 465771853 /nfs/dbraw/zinc/77/18/53/465771853.db2.gz JRIRXTSRJDGONG-UHFFFAOYSA-N 1 2 326.400 2.387 20 10 EECDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000378528691 467332467 /nfs/dbraw/zinc/33/24/67/467332467.db2.gz AKNPWAJHPKEMOH-OAHLLOKOSA-N 1 2 341.459 2.379 20 10 EECDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000769467311 577578523 /nfs/dbraw/zinc/57/85/23/577578523.db2.gz SWLBVEYBSBHOSN-INIZCTEOSA-N 1 2 337.416 2.333 20 10 EECDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000769467311 577578524 /nfs/dbraw/zinc/57/85/24/577578524.db2.gz SWLBVEYBSBHOSN-INIZCTEOSA-N 1 2 337.416 2.333 20 10 EECDLO O=C(NCCCSc1nccs1)NCCNc1cccc[nH+]1 ZINC000759537273 577645044 /nfs/dbraw/zinc/64/50/44/577645044.db2.gz CMIINAQJNAEELO-UHFFFAOYSA-N 1 2 337.474 2.432 20 10 EECDLO OCC[C@@H]([NH2+]Cc1cccc(Br)c1O)C1CCOCC1 ZINC000763466786 577721550 /nfs/dbraw/zinc/72/15/50/577721550.db2.gz MUMUVEGGMHOUMZ-CQSZACIVSA-N 1 2 344.249 2.422 20 10 EECDLO O=C(CCC[NH2+]Cc1cccc(Br)c1O)NC1CC1 ZINC000101592729 676771993 /nfs/dbraw/zinc/77/19/93/676771993.db2.gz OBMRNQBYAHRRPC-UHFFFAOYSA-N 1 2 327.222 2.303 20 10 EECDLO Cn1ccnc1[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)(C)CO ZINC000894881727 683295137 /nfs/dbraw/zinc/29/51/37/683295137.db2.gz DYHRBEYTNHUASF-AWEZNQCLSA-N 1 2 325.359 2.253 20 10 EECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000895192502 684269172 /nfs/dbraw/zinc/26/91/72/684269172.db2.gz HRWBQDKGOKJCEH-OAHLLOKOSA-N 1 2 326.387 2.357 20 10 EECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000895192502 684269176 /nfs/dbraw/zinc/26/91/76/684269176.db2.gz HRWBQDKGOKJCEH-OAHLLOKOSA-N 1 2 326.387 2.357 20 10 EECDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2O)C[C@@H](CO)O1 ZINC000826131722 1201306842 /nfs/dbraw/zinc/30/68/42/1201306842.db2.gz YGMDHEFOJGRJRL-LBPRGKRZSA-N 1 2 330.222 2.126 20 10 EECDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2O)C[C@@H](CO)O1 ZINC000826131722 1201306846 /nfs/dbraw/zinc/30/68/46/1201306846.db2.gz YGMDHEFOJGRJRL-LBPRGKRZSA-N 1 2 330.222 2.126 20 10 EECDLO CC(C)N1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000883016141 1201996836 /nfs/dbraw/zinc/99/68/36/1201996836.db2.gz OTRISFFUHAVIJZ-NSHDSACASA-N 1 2 345.212 2.393 20 10 EECDLO CN1C[C@@]2(CC[N@H+](Cc3c(O)ccc(Cl)c3Cl)C2)OCC1=O ZINC001274795708 1205166582 /nfs/dbraw/zinc/16/65/82/1205166582.db2.gz LWMGVMPQZOSRAG-OAHLLOKOSA-N 1 2 345.226 2.132 20 10 EECDLO CC1=CCC=C[C@@H]1C(=O)N1CCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275420558 1205352637 /nfs/dbraw/zinc/35/26/37/1205352637.db2.gz YKVHZOGUHUSEMN-KRWDZBQOSA-N 1 2 340.423 2.407 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925586929 1206132783 /nfs/dbraw/zinc/13/27/83/1206132783.db2.gz VWRRRAYUQPSMMB-QGZVFWFLSA-N 1 2 349.475 2.425 20 10 EECDLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C)n1-c1ccccn1 ZINC000779095499 1208501676 /nfs/dbraw/zinc/50/16/76/1208501676.db2.gz KPCSYQOTPVJNLG-OAHLLOKOSA-N 1 2 335.411 2.430 20 10 EECDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000826994407 1248794836 /nfs/dbraw/zinc/79/48/36/1248794836.db2.gz GKVSGIPIQKWFTM-NSHDSACASA-N 1 2 341.205 2.181 20 10 EECDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000826994407 1248794842 /nfs/dbraw/zinc/79/48/42/1248794842.db2.gz GKVSGIPIQKWFTM-NSHDSACASA-N 1 2 341.205 2.181 20 10 EECDLO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Br)c(F)cc1O ZINC000858602285 1294164336 /nfs/dbraw/zinc/16/43/36/1294164336.db2.gz VTOMMEAMOJNHHO-UWVGGRQHSA-N 1 2 347.228 2.011 20 10 EECDLO COc1ccc(N2CC3(CC[N@@H+]3Cc3cc(C)nn3C)C2)cc1F ZINC001277009473 1300796426 /nfs/dbraw/zinc/79/64/26/1300796426.db2.gz IFJXHYVYRMVOQJ-UHFFFAOYSA-N 1 2 330.407 2.341 20 10 EECDLO COc1ccc(N2CC3(CC[N@H+]3Cc3cc(C)nn3C)C2)cc1F ZINC001277009473 1300796437 /nfs/dbraw/zinc/79/64/37/1300796437.db2.gz IFJXHYVYRMVOQJ-UHFFFAOYSA-N 1 2 330.407 2.341 20 10 EECDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC001231857706 1303932108 /nfs/dbraw/zinc/93/21/08/1303932108.db2.gz NRMRAZBTFRZMFH-UHFFFAOYSA-N 1 2 333.476 2.452 20 10 EECDLO COC(=O)c1c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c2ccccc2n1C ZINC001232403399 1304108594 /nfs/dbraw/zinc/10/85/94/1304108594.db2.gz XKUBDXSJEDLUGV-STQMWFEESA-N 1 2 334.391 2.117 20 10 EECDLO COC(=O)c1c(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c2ccccc2n1C ZINC001232403399 1304108597 /nfs/dbraw/zinc/10/85/97/1304108597.db2.gz XKUBDXSJEDLUGV-STQMWFEESA-N 1 2 334.391 2.117 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1O ZINC001233287745 1304418021 /nfs/dbraw/zinc/41/80/21/1304418021.db2.gz GFSUUAWALUPHQB-ZLKJLUDKSA-N 1 2 327.808 2.026 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1O ZINC001233287745 1304418025 /nfs/dbraw/zinc/41/80/25/1304418025.db2.gz GFSUUAWALUPHQB-ZLKJLUDKSA-N 1 2 327.808 2.026 20 10 EECDLO COc1ccccc1C[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485194 1304477578 /nfs/dbraw/zinc/47/75/78/1304477578.db2.gz MNIVVISAYFJCSA-UHFFFAOYSA-N 1 2 344.411 2.130 20 10 EECDLO [NH3+]CCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC001237599831 1305997058 /nfs/dbraw/zinc/99/70/58/1305997058.db2.gz TYYZJCZDIBMEHD-UHFFFAOYSA-N 1 2 338.816 2.271 20 10 EECDLO O=S(=O)(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1cccc2nonc21 ZINC001237721473 1306063474 /nfs/dbraw/zinc/06/34/74/1306063474.db2.gz XRAUZQWCFVCOFQ-LBPRGKRZSA-N 1 2 344.396 2.101 20 10 EECDLO Cn1c(=O)ccc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)cc21 ZINC001239597628 1309143573 /nfs/dbraw/zinc/14/35/73/1309143573.db2.gz HSWUKXVNHGPRAB-UHFFFAOYSA-N 1 2 335.407 2.433 20 10 EECDLO COCCCCN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499821 1314622806 /nfs/dbraw/zinc/62/28/06/1314622806.db2.gz KITSKUBFHDOEHX-UHFFFAOYSA-N 1 2 347.503 2.067 20 10 EECDLO COc1ccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)c(O)c1 ZINC000840296545 1315346671 /nfs/dbraw/zinc/34/66/71/1315346671.db2.gz WZOVYNKTVSEGMO-OCCSQVGLSA-N 1 2 344.415 2.010 20 10 EECDLO COc1ccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)c(O)c1 ZINC000840296545 1315346675 /nfs/dbraw/zinc/34/66/75/1315346675.db2.gz WZOVYNKTVSEGMO-OCCSQVGLSA-N 1 2 344.415 2.010 20 10 EECDLO CCOC[C@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2nnn(CC)c21 ZINC001203591056 1321918242 /nfs/dbraw/zinc/91/82/42/1321918242.db2.gz APVHXMXWDPTSKU-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO CCOC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2nnn(CC)c21 ZINC001203591056 1321918243 /nfs/dbraw/zinc/91/82/43/1321918243.db2.gz APVHXMXWDPTSKU-CQSZACIVSA-N 1 2 346.431 2.148 20 10 EECDLO COc1c(O)c(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1[N+](=O)[O-] ZINC001308948218 1331609861 /nfs/dbraw/zinc/60/98/61/1331609861.db2.gz DWXSDIPUVQCYPA-ZDUSSCGKSA-N 1 2 330.344 2.340 20 10 EECDLO CN1CCN(c2ccc(C[NH2+][C@H](CCO)c3ccco3)cc2F)CC1 ZINC001320584022 1332915400 /nfs/dbraw/zinc/91/54/00/1332915400.db2.gz OTWJPFNRULZJNM-QGZVFWFLSA-N 1 2 347.434 2.384 20 10 EECDLO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001589951356 1349075889 /nfs/dbraw/zinc/07/58/89/1349075889.db2.gz CIZBJVLCTSMFHT-JQWOWJDXSA-N 1 2 329.404 2.036 20 10 EECDLO C[C@H]([NH2+]CCSC(F)(F)F)c1cccc(-c2nn[nH]n2)c1O ZINC001589963146 1349083401 /nfs/dbraw/zinc/08/34/01/1349083401.db2.gz LJMRWJSJGFIRAV-ZETCQYMHSA-N 1 2 333.339 2.476 20 10 EECDLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1cc(F)cc(F)c1O ZINC001589967720 1349085138 /nfs/dbraw/zinc/08/51/38/1349085138.db2.gz NFXSWPJECVYQMU-MRVPVSSYSA-N 1 2 332.314 2.096 20 10 EECDLO CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590464394 1349340456 /nfs/dbraw/zinc/34/04/56/1349340456.db2.gz CGSAFSZWGDQMQV-WFASDCNBSA-N 1 2 331.420 2.430 20 10 EECDLO Cc1nc(N2CC=C(CCNC(=O)c3cn[nH]c3)CC2)c(C)c(C)[nH+]1 ZINC001089814984 776357604 /nfs/dbraw/zinc/35/76/04/776357604.db2.gz MZNCTTMOWYAPBR-UHFFFAOYSA-N 1 2 340.431 2.082 20 10 EECDLO CC(C)[C@]1(C)NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000917423450 798217324 /nfs/dbraw/zinc/21/73/24/798217324.db2.gz YKXSCVDLOHLRMP-SFHVURJKSA-N 1 2 332.448 2.108 20 10 EECDLO CC(C)[C@]1(C)NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000917423450 798217327 /nfs/dbraw/zinc/21/73/27/798217327.db2.gz YKXSCVDLOHLRMP-SFHVURJKSA-N 1 2 332.448 2.108 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(OCC)cc1O)[C@H]1CCCOC1 ZINC000789578137 808070332 /nfs/dbraw/zinc/07/03/32/808070332.db2.gz AXSNMEZRNBJUBI-WMLDXEAASA-N 1 2 337.416 2.239 20 10 EECDLO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790155419 808455588 /nfs/dbraw/zinc/45/55/88/808455588.db2.gz SQIMDIRDIFJEAP-NSRYLSIASA-N 1 2 326.352 2.186 20 10 EECDLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cccc2nonc21 ZINC000154034630 462722126 /nfs/dbraw/zinc/72/21/26/462722126.db2.gz IGCAVCADGLLHKE-UHFFFAOYSA-N 1 2 346.412 2.394 20 10 EECDLO O=C(NCCCn1cc[nH+]c1)NCc1ccc(N2CC=CC2)cc1 ZINC000172589419 464112478 /nfs/dbraw/zinc/11/24/78/464112478.db2.gz BSSJSLNXUSKECF-UHFFFAOYSA-N 1 2 325.416 2.149 20 10 EECDLO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187798689 464163987 /nfs/dbraw/zinc/16/39/87/464163987.db2.gz NZJNTKAHTLHISK-NSHDSACASA-N 1 2 342.386 2.349 20 10 EECDLO COCCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179820815 464194685 /nfs/dbraw/zinc/19/46/85/464194685.db2.gz XVVKXJQCXSDDKD-UHFFFAOYSA-N 1 2 340.851 2.410 20 10 EECDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295113575 464710761 /nfs/dbraw/zinc/71/07/61/464710761.db2.gz MABGPIBFYJUWQY-LBPRGKRZSA-N 1 2 344.839 2.363 20 10 EECDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295113575 464710767 /nfs/dbraw/zinc/71/07/67/464710767.db2.gz MABGPIBFYJUWQY-LBPRGKRZSA-N 1 2 344.839 2.363 20 10 EECDLO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2C)c1O ZINC000375203679 466830620 /nfs/dbraw/zinc/83/06/20/466830620.db2.gz WIWIETRURQDKQA-QGZVFWFLSA-N 1 2 326.396 2.382 20 10 EECDLO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2C)c1O ZINC000375203679 466830625 /nfs/dbraw/zinc/83/06/25/466830625.db2.gz WIWIETRURQDKQA-QGZVFWFLSA-N 1 2 326.396 2.382 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)NCC[C@@H](C)OC)CC2)cc1 ZINC000726714929 576291587 /nfs/dbraw/zinc/29/15/87/576291587.db2.gz YRRAFHCTMGAQNO-CQSZACIVSA-N 1 2 335.448 2.388 20 10 EECDLO CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756356154 577842598 /nfs/dbraw/zinc/84/25/98/577842598.db2.gz ZYTVQDDIUUCROA-UKRRQHHQSA-N 1 2 337.420 2.308 20 10 EECDLO CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756356154 577842599 /nfs/dbraw/zinc/84/25/99/577842599.db2.gz ZYTVQDDIUUCROA-UKRRQHHQSA-N 1 2 337.420 2.308 20 10 EECDLO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756578592 577847167 /nfs/dbraw/zinc/84/71/67/577847167.db2.gz WZAMKWDIDLJJBQ-OQPBUACISA-N 1 2 336.201 2.342 20 10 EECDLO CN(C)c1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000750663880 577996847 /nfs/dbraw/zinc/99/68/47/577996847.db2.gz QLYTYIWWFPUYHJ-UHFFFAOYSA-N 1 2 336.399 2.001 20 10 EECDLO C[C@@H](Sc1nccs1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000052914496 679409662 /nfs/dbraw/zinc/40/96/62/679409662.db2.gz VYQCJHCJLVNSEI-GFCCVEGCSA-N 1 2 334.470 2.368 20 10 EECDLO CCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000177253352 681211915 /nfs/dbraw/zinc/21/19/15/681211915.db2.gz NRYXVONZTAQAQJ-AWEZNQCLSA-N 1 2 343.420 2.133 20 10 EECDLO CCn1cnc2c1CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000897333910 687133049 /nfs/dbraw/zinc/13/30/49/687133049.db2.gz WLCDMRNSXUCBFW-UHFFFAOYSA-N 1 2 340.471 2.422 20 10 EECDLO CCn1cnc2c1CC[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000897333910 687133050 /nfs/dbraw/zinc/13/30/50/687133050.db2.gz WLCDMRNSXUCBFW-UHFFFAOYSA-N 1 2 340.471 2.422 20 10 EECDLO Cc1ccc(O)c(C[NH+]2CC3(C2)CN(CC2CCCC2)C(=O)CO3)c1 ZINC001272622413 1190935793 /nfs/dbraw/zinc/93/57/93/1190935793.db2.gz INGPUVMLGCCSFN-UHFFFAOYSA-N 1 2 344.455 2.304 20 10 EECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000883116695 1202015497 /nfs/dbraw/zinc/01/54/97/1202015497.db2.gz BJKJJOHLBACYRE-UHFFFAOYSA-N 1 2 348.212 2.315 20 10 EECDLO COc1ccc(N2CCC[C@@]23CCN(Cc2c[nH+]cn2C)C3=O)cc1 ZINC001274790030 1205162931 /nfs/dbraw/zinc/16/29/31/1205162931.db2.gz FPSBBJIWBORVPU-IBGZPJMESA-N 1 2 340.427 2.200 20 10 EECDLO CC1=CCC=C[C@H]1C(=O)N1CCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275420560 1205352681 /nfs/dbraw/zinc/35/26/81/1205352681.db2.gz YKVHZOGUHUSEMN-QGZVFWFLSA-N 1 2 340.423 2.407 20 10 EECDLO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cnn(C)n1 ZINC000924713979 1206022417 /nfs/dbraw/zinc/02/24/17/1206022417.db2.gz HNEPQBSOFZZOCX-MCIONIFRSA-N 1 2 347.438 2.419 20 10 EECDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000926558812 1206227426 /nfs/dbraw/zinc/22/74/26/1206227426.db2.gz JEJRFAYYARMFNM-IAQYHMDHSA-N 1 2 349.385 2.189 20 10 EECDLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)Cc2ccnn21 ZINC001277456679 1303222423 /nfs/dbraw/zinc/22/24/23/1303222423.db2.gz BUDURFDPNFPOCF-HNNXBMFYSA-N 1 2 348.834 2.277 20 10 EECDLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)Cc2ccnn21 ZINC001277456679 1303222426 /nfs/dbraw/zinc/22/24/26/1303222426.db2.gz BUDURFDPNFPOCF-HNNXBMFYSA-N 1 2 348.834 2.277 20 10 EECDLO C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2c(O)cccc2F)C[C@@H](C)O1 ZINC001277483770 1303608530 /nfs/dbraw/zinc/60/85/30/1303608530.db2.gz AWIQTJSNIGEUII-FORMXFIPSA-N 1 2 348.418 2.132 20 10 EECDLO COc1cc(N(C)C)ccc1CN1CC([NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001231857193 1303932016 /nfs/dbraw/zinc/93/20/16/1303932016.db2.gz YNSMNIKFRRMWIV-GJZGRUSLSA-N 1 2 333.476 2.055 20 10 EECDLO COc1cc(N(C)C)ccc1C[NH+]1CC(N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001231857193 1303932023 /nfs/dbraw/zinc/93/20/23/1303932023.db2.gz YNSMNIKFRRMWIV-GJZGRUSLSA-N 1 2 333.476 2.055 20 10 EECDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)c1cccnc1 ZINC001233080575 1304354888 /nfs/dbraw/zinc/35/48/88/1304354888.db2.gz WZGQBCDJIRMDNK-UHFFFAOYSA-N 1 2 347.365 2.460 20 10 EECDLO COc1ccc2c(c1)CCCN2CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783988572 1304392238 /nfs/dbraw/zinc/39/22/38/1304392238.db2.gz CCDAEBDYLBQQOP-HNNXBMFYSA-N 1 2 340.427 2.155 20 10 EECDLO CCOC(=O)c1c(C[N@@H+]2CCCC[C@H]2C(N)=O)c2ccccc2n1C ZINC001233272551 1304412727 /nfs/dbraw/zinc/41/27/27/1304412727.db2.gz PKDNRJCPEFMSIU-INIZCTEOSA-N 1 2 343.427 2.195 20 10 EECDLO CCOC(=O)c1c(C[N@H+]2CCCC[C@H]2C(N)=O)c2ccccc2n1C ZINC001233272551 1304412729 /nfs/dbraw/zinc/41/27/29/1304412729.db2.gz PKDNRJCPEFMSIU-INIZCTEOSA-N 1 2 343.427 2.195 20 10 EECDLO COc1cc(O)c(C[NH+]2CCN(c3ncc(C)cn3)CC2)c(Cl)c1 ZINC001236805615 1305683616 /nfs/dbraw/zinc/68/36/16/1305683616.db2.gz IIAXXGRHHVOCKT-UHFFFAOYSA-N 1 2 348.834 2.475 20 10 EECDLO COc1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1Cl ZINC001236812813 1305686527 /nfs/dbraw/zinc/68/65/27/1305686527.db2.gz HWIDEMCRFLZMLC-AWEZNQCLSA-N 1 2 340.851 2.351 20 10 EECDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236930074 1305733011 /nfs/dbraw/zinc/73/30/11/1305733011.db2.gz WFEXOUZTEUUPEL-HIFRSBDPSA-N 1 2 328.815 2.081 20 10 EECDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236930074 1305733018 /nfs/dbraw/zinc/73/30/18/1305733018.db2.gz WFEXOUZTEUUPEL-HIFRSBDPSA-N 1 2 328.815 2.081 20 10 EECDLO Cc1noc([C@@H]2CC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139132749 1314708796 /nfs/dbraw/zinc/70/87/96/1314708796.db2.gz ZURVXTSDWWAOEJ-GFCCVEGCSA-N 1 2 341.367 2.488 20 10 EECDLO Cc1noc([C@@H]2CC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139132749 1314708797 /nfs/dbraw/zinc/70/87/97/1314708797.db2.gz ZURVXTSDWWAOEJ-GFCCVEGCSA-N 1 2 341.367 2.488 20 10 EECDLO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2c(F)ccc(F)c2O)C1 ZINC001139681912 1314758523 /nfs/dbraw/zinc/75/85/23/1314758523.db2.gz HMNPLBNPZPXRPO-GFCCVEGCSA-N 1 2 336.386 2.061 20 10 EECDLO COCCOc1ccc(N2CC[NH+](Cc3cnc(C)nc3)CC2)cc1 ZINC001203116465 1315418256 /nfs/dbraw/zinc/41/82/56/1315418256.db2.gz CIMZSJPERBHCMN-UHFFFAOYSA-N 1 2 342.443 2.132 20 10 EECDLO Nc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001336286178 1336513635 /nfs/dbraw/zinc/51/36/35/1336513635.db2.gz NZRFHRDWMXJTDQ-UHFFFAOYSA-N 1 2 340.383 2.135 20 10 EECDLO C[C@@H]([NH2+]CCCC1CCOCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589963484 1349083156 /nfs/dbraw/zinc/08/31/56/1349083156.db2.gz XKGYOKKIVCSJTL-GFCCVEGCSA-N 1 2 331.420 2.430 20 10 EECDLO CC[C@H]([NH2+]CCN(CC)C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590469495 1349344078 /nfs/dbraw/zinc/34/40/78/1349344078.db2.gz JKOHSDGQNBXLHT-HNNXBMFYSA-N 1 2 330.436 2.097 20 10 EECDLO CC[C@@H]([NH2+]CCN(CC)C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590469496 1349344453 /nfs/dbraw/zinc/34/44/53/1349344453.db2.gz JKOHSDGQNBXLHT-OAHLLOKOSA-N 1 2 330.436 2.097 20 10 EECDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(=O)NC ZINC000708147321 786752566 /nfs/dbraw/zinc/75/25/66/786752566.db2.gz XYSPDCLHSJIVST-SNVBAGLBSA-N 1 2 335.629 2.422 20 10 EECDLO Cn1nncc1C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708140649 786752963 /nfs/dbraw/zinc/75/29/63/786752963.db2.gz YKSFHDGMYLHNJO-UHFFFAOYSA-N 1 2 331.601 2.226 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1F ZINC000824914362 788345525 /nfs/dbraw/zinc/34/55/25/788345525.db2.gz QVGRGRRQTDQZCL-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1F ZINC000824914362 788345533 /nfs/dbraw/zinc/34/55/33/788345533.db2.gz QVGRGRRQTDQZCL-CQSZACIVSA-N 1 2 328.453 2.291 20 10 EECDLO COc1ccc(N2CC[NH+](CN3C(=O)CC34CCCC4)CC2)cc1 ZINC000844676763 789306874 /nfs/dbraw/zinc/30/68/74/789306874.db2.gz FGRNOHWCYVPQBP-UHFFFAOYSA-N 1 2 329.444 2.320 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)cc1 ZINC000844724954 789329519 /nfs/dbraw/zinc/32/95/19/789329519.db2.gz GBFGLXBPTISVNT-UHFFFAOYSA-N 1 2 333.392 2.134 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)cc1 ZINC000844724954 789329525 /nfs/dbraw/zinc/32/95/25/789329525.db2.gz GBFGLXBPTISVNT-UHFFFAOYSA-N 1 2 333.392 2.134 20 10 EECDLO COc1ccc(N2CC[NH+](CCNc3ncncc3Cl)CC2)cc1 ZINC000786779559 806887762 /nfs/dbraw/zinc/88/77/62/806887762.db2.gz VFZPEDVTOKKWPU-UHFFFAOYSA-N 1 2 347.850 2.373 20 10 EECDLO Cc1cc(CNC(=O)c2c(F)ccc(O)c2O)cc(N2CCCC2)[nH+]1 ZINC000296262132 465134571 /nfs/dbraw/zinc/13/45/71/465134571.db2.gz XVOYZQORDDTWPS-UHFFFAOYSA-N 1 2 345.374 2.471 20 10 EECDLO COc1c(O)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278209946 463958152 /nfs/dbraw/zinc/95/81/52/463958152.db2.gz KDQFQDKAZRUJSC-MRXNPFEDSA-N 1 2 344.367 2.401 20 10 EECDLO COc1c(O)c(C[N@H+]2CCc3ccccc3[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278209946 463958156 /nfs/dbraw/zinc/95/81/56/463958156.db2.gz KDQFQDKAZRUJSC-MRXNPFEDSA-N 1 2 344.367 2.401 20 10 EECDLO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1O ZINC000187780678 464161384 /nfs/dbraw/zinc/16/13/84/464161384.db2.gz VJJNHEXSHPEMPN-OIBJUYFYSA-N 1 2 338.276 2.484 20 10 EECDLO CN(C)c1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1F ZINC000273763351 464725763 /nfs/dbraw/zinc/72/57/63/464725763.db2.gz PNENKIFKKORVCO-UHFFFAOYSA-N 1 2 333.386 2.143 20 10 EECDLO COc1ccc([NH+]2CCC(NS(=O)(=O)c3cccnc3)CC2)cc1 ZINC000726600823 576279265 /nfs/dbraw/zinc/27/92/65/576279265.db2.gz HFLLVTPLPSAFQP-UHFFFAOYSA-N 1 2 347.440 2.038 20 10 EECDLO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1 ZINC000773831964 577366810 /nfs/dbraw/zinc/36/68/10/577366810.db2.gz MATKOTUUGABWER-DOTOQJQBSA-N 1 2 348.443 2.069 20 10 EECDLO CCN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1 ZINC000773831964 577366811 /nfs/dbraw/zinc/36/68/11/577366811.db2.gz MATKOTUUGABWER-DOTOQJQBSA-N 1 2 348.443 2.069 20 10 EECDLO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777453231 577479183 /nfs/dbraw/zinc/47/91/83/577479183.db2.gz OCSQPHVEJAGFIK-MRXNPFEDSA-N 1 2 339.443 2.298 20 10 EECDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000768466734 577556508 /nfs/dbraw/zinc/55/65/08/577556508.db2.gz VRVGRRFTSOPMHQ-FUHWJXTLSA-N 1 2 327.380 2.392 20 10 EECDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000768466734 577556509 /nfs/dbraw/zinc/55/65/09/577556509.db2.gz VRVGRRFTSOPMHQ-FUHWJXTLSA-N 1 2 327.380 2.392 20 10 EECDLO COc1ccc(O)c(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)c1 ZINC000811806233 1200321575 /nfs/dbraw/zinc/32/15/75/1200321575.db2.gz NAQQWDDBGJUMQP-CYBMUJFWSA-N 1 2 344.415 2.012 20 10 EECDLO COc1ccc(O)c(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)c1 ZINC000811806233 1200321580 /nfs/dbraw/zinc/32/15/80/1200321580.db2.gz NAQQWDDBGJUMQP-CYBMUJFWSA-N 1 2 344.415 2.012 20 10 EECDLO O=C(NCC(F)(F)F)N1CCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001275913203 1205583127 /nfs/dbraw/zinc/58/31/27/1205583127.db2.gz KQNIIPZHRBKLHI-UHFFFAOYSA-N 1 2 347.312 2.063 20 10 EECDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1F ZINC000084866789 1211581193 /nfs/dbraw/zinc/58/11/93/1211581193.db2.gz HFNXKOZTGPFIIL-ZDUSSCGKSA-N 1 2 337.439 2.260 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000281490550 1229371685 /nfs/dbraw/zinc/37/16/85/1229371685.db2.gz TUZISLJNDNKROW-YGRLFVJLSA-N 1 2 338.791 2.179 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000281490550 1229371690 /nfs/dbraw/zinc/37/16/90/1229371690.db2.gz TUZISLJNDNKROW-YGRLFVJLSA-N 1 2 338.791 2.179 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000800533651 1234274915 /nfs/dbraw/zinc/27/49/15/1234274915.db2.gz CBFWRLMEBGRQLR-NSHDSACASA-N 1 2 348.262 2.082 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000800533651 1234274916 /nfs/dbraw/zinc/27/49/16/1234274916.db2.gz CBFWRLMEBGRQLR-NSHDSACASA-N 1 2 348.262 2.082 20 10 EECDLO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](CC(F)F)C3)C2=O)cc1 ZINC001273847422 1286713277 /nfs/dbraw/zinc/71/32/77/1286713277.db2.gz HKNODBWBCIVAFA-SFHVURJKSA-N 1 2 337.414 2.442 20 10 EECDLO CN(C)c1ccc(CN2CC[C@]3(CC[N@@H+](CC(F)F)C3)C2=O)cc1 ZINC001273847422 1286713286 /nfs/dbraw/zinc/71/32/86/1286713286.db2.gz HKNODBWBCIVAFA-SFHVURJKSA-N 1 2 337.414 2.442 20 10 EECDLO Oc1cc(OCC(F)(F)F)ccc1CN1CC[NH2+]CC(F)(F)C1 ZINC001211345755 1295834133 /nfs/dbraw/zinc/83/41/33/1295834133.db2.gz DSCBGELBOOZLTR-UHFFFAOYSA-N 1 2 340.292 2.374 20 10 EECDLO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](CCO)C(C)(C)C2)c1O ZINC000781962096 1303910014 /nfs/dbraw/zinc/91/00/14/1303910014.db2.gz IGJITYPJDGHTMW-UHFFFAOYSA-N 1 2 340.851 2.137 20 10 EECDLO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](CCO)C(C)(C)C2)c1O ZINC000781962096 1303910016 /nfs/dbraw/zinc/91/00/16/1303910016.db2.gz IGJITYPJDGHTMW-UHFFFAOYSA-N 1 2 340.851 2.137 20 10 EECDLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233009785 1304326214 /nfs/dbraw/zinc/32/62/14/1304326214.db2.gz ASGDFVUCKBUIMC-UHFFFAOYSA-N 1 2 329.352 2.148 20 10 EECDLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233009785 1304326215 /nfs/dbraw/zinc/32/62/15/1304326215.db2.gz ASGDFVUCKBUIMC-UHFFFAOYSA-N 1 2 329.352 2.148 20 10 EECDLO COC(=O)[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)Cc2ccccc21 ZINC001233014803 1304328474 /nfs/dbraw/zinc/32/84/74/1304328474.db2.gz CLEWRNVRPZIONL-AWEZNQCLSA-N 1 2 329.352 2.076 20 10 EECDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)Cc2ccccc21 ZINC001233014803 1304328480 /nfs/dbraw/zinc/32/84/80/1304328480.db2.gz CLEWRNVRPZIONL-AWEZNQCLSA-N 1 2 329.352 2.076 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)cc1Br ZINC001233134787 1304370421 /nfs/dbraw/zinc/37/04/21/1304370421.db2.gz DORYVOGYGUSMST-ZDUSSCGKSA-N 1 2 334.185 2.070 20 10 EECDLO COc1cc(O)c(C[N@H+]2CC[C@@](F)(CO)C2)cc1Br ZINC001233134787 1304370429 /nfs/dbraw/zinc/37/04/29/1304370429.db2.gz DORYVOGYGUSMST-ZDUSSCGKSA-N 1 2 334.185 2.070 20 10 EECDLO COc1cc(C[N@@H+]2CCC3(C2)OCCO3)c(O)cc1Br ZINC001236752793 1305659928 /nfs/dbraw/zinc/65/99/28/1305659928.db2.gz HBYKXJBUPSJDCR-UHFFFAOYSA-N 1 2 344.205 2.112 20 10 EECDLO COc1cc(C[N@H+]2CCC3(C2)OCCO3)c(O)cc1Br ZINC001236752793 1305659932 /nfs/dbraw/zinc/65/99/32/1305659932.db2.gz HBYKXJBUPSJDCR-UHFFFAOYSA-N 1 2 344.205 2.112 20 10 EECDLO COc1ccc(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c(O)c1Cl ZINC001236809364 1305686200 /nfs/dbraw/zinc/68/62/00/1305686200.db2.gz LHDMRNRLNBHQTE-ZDUSSCGKSA-N 1 2 326.824 2.497 20 10 EECDLO COc1ccc(C[N@@H+](C)[C@H]2CCCN(C(C)=O)C2)c(O)c1Cl ZINC001236809364 1305686203 /nfs/dbraw/zinc/68/62/03/1305686203.db2.gz LHDMRNRLNBHQTE-ZDUSSCGKSA-N 1 2 326.824 2.497 20 10 EECDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCO1 ZINC001237061469 1305782772 /nfs/dbraw/zinc/78/27/72/1305782772.db2.gz GBNDITGCVDEDAQ-CQSZACIVSA-N 1 2 333.306 2.123 20 10 EECDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCO1 ZINC001237061469 1305782778 /nfs/dbraw/zinc/78/27/78/1305782778.db2.gz GBNDITGCVDEDAQ-CQSZACIVSA-N 1 2 333.306 2.123 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c(Br)c1 ZINC001237064138 1305784056 /nfs/dbraw/zinc/78/40/56/1305784056.db2.gz XDAOUGOBYRQEIB-VHSXEESVSA-N 1 2 348.212 2.316 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c(Br)c1 ZINC001237064138 1305784067 /nfs/dbraw/zinc/78/40/67/1305784067.db2.gz XDAOUGOBYRQEIB-VHSXEESVSA-N 1 2 348.212 2.316 20 10 EECDLO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237083094 1305791249 /nfs/dbraw/zinc/79/12/49/1305791249.db2.gz YWFGABXGVPJCJM-UHFFFAOYSA-N 1 2 342.182 2.459 20 10 EECDLO Cc1nc(CC[N@@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)no1 ZINC001139125645 1314707527 /nfs/dbraw/zinc/70/75/27/1314707527.db2.gz YYBANXGMGYUQSZ-UHFFFAOYSA-N 1 2 329.356 2.173 20 10 EECDLO Cc1nc(CC[N@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)no1 ZINC001139125645 1314707532 /nfs/dbraw/zinc/70/75/32/1314707532.db2.gz YYBANXGMGYUQSZ-UHFFFAOYSA-N 1 2 329.356 2.173 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cnc4c(c3)OCCO4)CC2)cc1 ZINC001139730742 1314763413 /nfs/dbraw/zinc/76/34/13/1314763413.db2.gz KEVCMJIDPRPOPR-UHFFFAOYSA-N 1 2 341.411 2.184 20 10 EECDLO Nc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000841301657 1315525170 /nfs/dbraw/zinc/52/51/70/1315525170.db2.gz CEPGOTLEQDSRIO-UHFFFAOYSA-N 1 2 340.427 2.497 20 10 EECDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958758 1315644637 /nfs/dbraw/zinc/64/46/37/1315644637.db2.gz ITTBSJKDFYIYTR-OAHLLOKOSA-N 1 2 327.432 2.134 20 10 EECDLO O=C(Cc1ccsc1)N1CC2(C1)C[NH+](Cc1cccc(F)c1O)C2 ZINC001276537155 1323996851 /nfs/dbraw/zinc/99/68/51/1323996851.db2.gz DKHLXPJWFHMITK-UHFFFAOYSA-N 1 2 346.427 2.480 20 10 EECDLO CCOc1ccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC001323033724 1333372861 /nfs/dbraw/zinc/37/28/61/1333372861.db2.gz NSXKYCKTSJJGRW-LJQANCHMSA-N 1 2 339.439 2.434 20 10 EECDLO COC(=O)N1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001329513084 1334665668 /nfs/dbraw/zinc/66/56/68/1334665668.db2.gz UARCUSWXCKUPMV-UHFFFAOYSA-N 1 2 327.375 2.305 20 10 EECDLO COC(=O)N1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001329513084 1334665670 /nfs/dbraw/zinc/66/56/70/1334665670.db2.gz UARCUSWXCKUPMV-UHFFFAOYSA-N 1 2 327.375 2.305 20 10 EECDLO COc1cc(Cl)cc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1O ZINC000848924606 1338807966 /nfs/dbraw/zinc/80/79/66/1338807966.db2.gz WTNBJFOXTSAWAF-LLVKDONJSA-N 1 2 338.795 2.314 20 10 EECDLO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc(-c2nn[nH]n2)c1O ZINC001589958281 1349079634 /nfs/dbraw/zinc/07/96/34/1349079634.db2.gz VKLRIMTVDVHXLB-YGRLFVJLSA-N 1 2 339.403 2.034 20 10 EECDLO CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465724 1349340921 /nfs/dbraw/zinc/34/09/21/1349340921.db2.gz VNQVCAVYIVHLGY-HOCLYGCPSA-N 1 2 345.447 2.410 20 10 EECDLO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604182022 1350886013 /nfs/dbraw/zinc/88/60/13/1350886013.db2.gz XDNRQGHMKRNRQF-QWHCGFSZSA-N 1 2 332.452 2.343 20 10 EECDLO Cn1ncc(CCC[NH2+]Cc2cccc(Br)c2O)n1 ZINC000815145446 1367820058 /nfs/dbraw/zinc/82/00/58/1367820058.db2.gz UMQIOROLKWQFAS-UHFFFAOYSA-N 1 2 325.210 2.006 20 10 EECDLO Oc1cccc(Br)c1C[N@@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001236982710 778572577 /nfs/dbraw/zinc/57/25/77/778572577.db2.gz WQFPKQPURYLCKU-NSHDSACASA-N 1 2 339.155 2.491 20 10 EECDLO Oc1cccc(Br)c1C[N@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001236982710 778572582 /nfs/dbraw/zinc/57/25/82/778572582.db2.gz WQFPKQPURYLCKU-NSHDSACASA-N 1 2 339.155 2.491 20 10 EECDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)cc1F ZINC000084866517 237007046 /nfs/dbraw/zinc/00/70/46/237007046.db2.gz OVLZQPBCZCGVLK-UHFFFAOYSA-N 1 2 349.450 2.215 20 10 EECDLO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)CS(=O)(=O)CC ZINC000079435081 463214708 /nfs/dbraw/zinc/21/47/08/463214708.db2.gz QUEFFHICHLNQII-LLVKDONJSA-N 1 2 345.436 2.379 20 10 EECDLO CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)CS(=O)(=O)CC ZINC000079435081 463214712 /nfs/dbraw/zinc/21/47/12/463214712.db2.gz QUEFFHICHLNQII-LLVKDONJSA-N 1 2 345.436 2.379 20 10 EECDLO CC(C)n1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000289132890 464067932 /nfs/dbraw/zinc/06/79/32/464067932.db2.gz OROJMKKKIZQNJH-UHFFFAOYSA-N 1 2 329.448 2.328 20 10 EECDLO CC(C)n1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000289132890 464067940 /nfs/dbraw/zinc/06/79/40/464067940.db2.gz OROJMKKKIZQNJH-UHFFFAOYSA-N 1 2 329.448 2.328 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000276150891 464826251 /nfs/dbraw/zinc/82/62/51/464826251.db2.gz DTPGAUUONZEFAI-CQSZACIVSA-N 1 2 328.416 2.027 20 10 EECDLO CN(Cc1ccccc1O)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000276150891 464826255 /nfs/dbraw/zinc/82/62/55/464826255.db2.gz DTPGAUUONZEFAI-CQSZACIVSA-N 1 2 328.416 2.027 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000177018560 464909105 /nfs/dbraw/zinc/90/91/05/464909105.db2.gz OGEXNUAMVRBCJB-HNNXBMFYSA-N 1 2 336.819 2.491 20 10 EECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000177018560 464909111 /nfs/dbraw/zinc/90/91/11/464909111.db2.gz OGEXNUAMVRBCJB-HNNXBMFYSA-N 1 2 336.819 2.491 20 10 EECDLO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611651800 469298162 /nfs/dbraw/zinc/29/81/62/469298162.db2.gz VKAUGPBOUUIVMR-ZIAGYGMSSA-N 1 2 326.400 2.015 20 10 EECDLO C[C@@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCN(c2ccccc2)CC1 ZINC000731870214 577128939 /nfs/dbraw/zinc/12/89/39/577128939.db2.gz VDKPSQXHVTURGR-AWEZNQCLSA-N 1 2 345.468 2.394 20 10 EECDLO CCC(CC)[C@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCOCC1 ZINC000731867720 577130722 /nfs/dbraw/zinc/13/07/22/577130722.db2.gz RFPJWBIEBZIREG-AWEZNQCLSA-N 1 2 326.462 2.321 20 10 EECDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1F ZINC000768226386 577552403 /nfs/dbraw/zinc/55/24/03/577552403.db2.gz NJUGHYSKJWSAKB-UHFFFAOYSA-N 1 2 334.439 2.225 20 10 EECDLO COc1cc(C[N@@H+]2CCNC(=O)[C@H]2c2cccs2)c(O)cc1C ZINC000768465778 577556536 /nfs/dbraw/zinc/55/65/36/577556536.db2.gz LDIGCXDSZNWHTR-MRXNPFEDSA-N 1 2 332.425 2.444 20 10 EECDLO COc1cc(C[N@H+]2CCNC(=O)[C@H]2c2cccs2)c(O)cc1C ZINC000768465778 577556537 /nfs/dbraw/zinc/55/65/37/577556537.db2.gz LDIGCXDSZNWHTR-MRXNPFEDSA-N 1 2 332.425 2.444 20 10 EECDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000769467312 577578564 /nfs/dbraw/zinc/57/85/64/577578564.db2.gz SWLBVEYBSBHOSN-MRXNPFEDSA-N 1 2 337.416 2.333 20 10 EECDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000769467312 577578565 /nfs/dbraw/zinc/57/85/65/577578565.db2.gz SWLBVEYBSBHOSN-MRXNPFEDSA-N 1 2 337.416 2.333 20 10 EECDLO CC[C@]1(C)NC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000761224247 577679654 /nfs/dbraw/zinc/67/96/54/577679654.db2.gz WCRAKEODAWUWJT-SFHVURJKSA-N 1 2 331.416 2.385 20 10 EECDLO COc1ccc([NH+]2CCC(N3C(=O)N[C@@H](CC4CC4)C3=O)CC2)cc1 ZINC000761224521 577679756 /nfs/dbraw/zinc/67/97/56/577679756.db2.gz WRUXDNIAINTISK-KRWDZBQOSA-N 1 2 343.427 2.385 20 10 EECDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000755105167 577819710 /nfs/dbraw/zinc/81/97/10/577819710.db2.gz UUJLWVUXDCAKJB-QGZVFWFLSA-N 1 2 346.519 2.126 20 10 EECDLO Cc1nc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc[nH+]1 ZINC000742396251 577872260 /nfs/dbraw/zinc/87/22/60/577872260.db2.gz ORYJEMHUSRFEIU-OAHLLOKOSA-N 1 2 325.416 2.099 20 10 EECDLO CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2O)C1=O ZINC000708075832 1178326995 /nfs/dbraw/zinc/32/69/95/1178326995.db2.gz PPILCYTXLWSODS-LLVKDONJSA-N 1 2 347.640 2.471 20 10 EECDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Br)c2O)C1=O ZINC000708075832 1178327002 /nfs/dbraw/zinc/32/70/02/1178327002.db2.gz PPILCYTXLWSODS-LLVKDONJSA-N 1 2 347.640 2.471 20 10 EECDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2O)C1=O ZINC001273305083 1198007156 /nfs/dbraw/zinc/00/71/56/1198007156.db2.gz ZTWADHSEIJODFG-SGTLLEGYSA-N 1 2 334.391 2.076 20 10 EECDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2O)C1=O ZINC001273305083 1198007163 /nfs/dbraw/zinc/00/71/63/1198007163.db2.gz ZTWADHSEIJODFG-SGTLLEGYSA-N 1 2 334.391 2.076 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3cccc(OC)n3)CC2)c(OC)c1 ZINC000877708568 1200045951 /nfs/dbraw/zinc/04/59/51/1200045951.db2.gz OXQQTBLYQZSULM-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO COCc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)no1 ZINC000882902878 1201971559 /nfs/dbraw/zinc/97/15/59/1201971559.db2.gz REBNENOFGAQNOB-UHFFFAOYSA-N 1 2 335.379 2.087 20 10 EECDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000926558816 1206227388 /nfs/dbraw/zinc/22/73/88/1206227388.db2.gz JEJRFAYYARMFNM-XHDPSFHLSA-N 1 2 349.385 2.189 20 10 EECDLO COc1c(C)c[nH+]c(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000779481918 1210393017 /nfs/dbraw/zinc/39/30/17/1210393017.db2.gz SCEBICOLUGRAKY-ALCCZGGFSA-N 1 2 328.368 2.448 20 10 EECDLO O=C(CCc1ccc[nH]1)N1CC2(C1)C[NH+](Cc1c(O)cccc1F)C2 ZINC001276354258 1213897899 /nfs/dbraw/zinc/89/78/99/1213897899.db2.gz OFBUNYHAICUWFE-UHFFFAOYSA-N 1 2 343.402 2.136 20 10 EECDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000900439255 1234355043 /nfs/dbraw/zinc/35/50/43/1234355043.db2.gz BNACIISPWFJUSE-SFHVURJKSA-N 1 2 342.443 2.226 20 10 EECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c1 ZINC000903198177 1239993335 /nfs/dbraw/zinc/99/33/35/1239993335.db2.gz GQRHLDOZKPFELL-GFCCVEGCSA-N 1 2 329.400 2.491 20 10 EECDLO C[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)n1cc[nH+]c1 ZINC000856209404 1293445419 /nfs/dbraw/zinc/44/54/19/1293445419.db2.gz LRBDMVPLQWGEIC-HNNXBMFYSA-N 1 2 342.443 2.112 20 10 EECDLO Oc1cc(F)c(Br)cc1CN1CC[NH2+]CC(F)(F)C1 ZINC001211340860 1295826031 /nfs/dbraw/zinc/82/60/31/1295826031.db2.gz CSOQYMBJICAHQP-UHFFFAOYSA-N 1 2 339.155 2.334 20 10 EECDLO COc1cccc(C[NH+]2CC3(C2)CC[C@@H](C(=O)NC(C)(C)C)O3)c1O ZINC001277451542 1303130269 /nfs/dbraw/zinc/13/02/69/1303130269.db2.gz FYWKYUBIYPIWDM-HNNXBMFYSA-N 1 2 348.443 2.049 20 10 EECDLO COc1cc(N(C)C)ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC001231852959 1303930825 /nfs/dbraw/zinc/93/08/25/1303930825.db2.gz COCWMVFUYCTPQL-UHFFFAOYSA-N 1 2 340.471 2.474 20 10 EECDLO Cc1ccnc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)n1 ZINC001232266774 1304058368 /nfs/dbraw/zinc/05/83/68/1304058368.db2.gz YGQUDHUPZZNIFS-UHFFFAOYSA-N 1 2 334.807 2.172 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c1O ZINC001233290775 1304419345 /nfs/dbraw/zinc/41/93/45/1304419345.db2.gz VNBDNCGPNVNFNO-CQSZACIVSA-N 1 2 337.807 2.018 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c1O ZINC001233290775 1304419352 /nfs/dbraw/zinc/41/93/52/1304419352.db2.gz VNBDNCGPNVNFNO-CQSZACIVSA-N 1 2 337.807 2.018 20 10 EECDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233420092 1304461594 /nfs/dbraw/zinc/46/15/94/1304461594.db2.gz ZEARRYROWXJMLK-GFCCVEGCSA-N 1 2 346.349 2.138 20 10 EECDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233420092 1304461601 /nfs/dbraw/zinc/46/16/01/1304461601.db2.gz ZEARRYROWXJMLK-GFCCVEGCSA-N 1 2 346.349 2.138 20 10 EECDLO COc1cc(O)c(C[N@@H+]2CCC3(CN(C)C3)C2)c(Br)c1 ZINC001237066752 1305785455 /nfs/dbraw/zinc/78/54/55/1305785455.db2.gz AGZWBXJTZDTKPH-UHFFFAOYSA-N 1 2 341.249 2.301 20 10 EECDLO COc1cc(O)c(C[N@H+]2CCC3(CN(C)C3)C2)c(Br)c1 ZINC001237066752 1305785465 /nfs/dbraw/zinc/78/54/65/1305785465.db2.gz AGZWBXJTZDTKPH-UHFFFAOYSA-N 1 2 341.249 2.301 20 10 EECDLO CCOC[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(C)c21 ZINC001238062598 1306206617 /nfs/dbraw/zinc/20/66/17/1306206617.db2.gz VALXWMZSJACCAA-ZDUSSCGKSA-N 1 2 334.395 2.104 20 10 EECDLO CCOC[C@@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(C)c21 ZINC001238062598 1306206623 /nfs/dbraw/zinc/20/66/23/1306206623.db2.gz VALXWMZSJACCAA-ZDUSSCGKSA-N 1 2 334.395 2.104 20 10 EECDLO Cc1cc(F)cc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c1O ZINC001238069161 1306208779 /nfs/dbraw/zinc/20/87/79/1306208779.db2.gz HTQSAUASNROYFT-UHFFFAOYSA-N 1 2 329.375 2.193 20 10 EECDLO Oc1ccc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)cc1O ZINC001203882960 1321981918 /nfs/dbraw/zinc/98/19/18/1321981918.db2.gz YRZNBVHJFMTSOE-UHFFFAOYSA-N 1 2 342.395 2.191 20 10 EECDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000847356542 1337976512 /nfs/dbraw/zinc/97/65/12/1337976512.db2.gz TWZVNSMVUGFTFV-CQSZACIVSA-N 1 2 344.484 2.458 20 10 EECDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000847356542 1337976516 /nfs/dbraw/zinc/97/65/16/1337976516.db2.gz TWZVNSMVUGFTFV-CQSZACIVSA-N 1 2 344.484 2.458 20 10 EECDLO CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463080 1349339186 /nfs/dbraw/zinc/33/91/86/1349339186.db2.gz GVJBBGKBWYNLEL-HOTGVXAUSA-N 1 2 339.399 2.347 20 10 EECDLO CC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604052582 1350840493 /nfs/dbraw/zinc/84/04/93/1350840493.db2.gz CGJHFZOHDNFXCK-ZOWXZIJZSA-N 1 2 331.420 2.164 20 10 EECDLO CC[C@H]([NH2+]CC(CC)(CC)CO)c1cccc(-c2nn[nH]n2)c1O ZINC001604056260 1350841996 /nfs/dbraw/zinc/84/19/96/1350841996.db2.gz RNMYNTSHCITQBV-AWEZNQCLSA-N 1 2 333.436 2.412 20 10 EECDLO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001604204424 1350892001 /nfs/dbraw/zinc/89/20/01/1350892001.db2.gz IWHVZBDNJBKNOD-OLZOCXBDSA-N 1 2 332.452 2.343 20 10 EECDLO CC[NH+]1CCN(c2ccc(CNC(=O)C(F)(F)F)cc2F)CC1 ZINC000106829843 1369016409 /nfs/dbraw/zinc/01/64/09/1369016409.db2.gz BCFVMURSVXXXNE-UHFFFAOYSA-N 1 2 333.329 2.146 20 10 EECDLO Oc1cccc(Br)c1C[NH+]1CCN(c2cnccn2)CC1 ZINC000862224153 1369524523 /nfs/dbraw/zinc/52/45/23/1369524523.db2.gz IWRGKJUIQWOLCX-UHFFFAOYSA-N 1 2 349.232 2.267 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000817412224 784764599 /nfs/dbraw/zinc/76/45/99/784764599.db2.gz GQSDYHHDWLWVRD-LBPRGKRZSA-N 1 2 344.249 2.435 20 10 EECDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000817412224 784764608 /nfs/dbraw/zinc/76/46/08/784764608.db2.gz GQSDYHHDWLWVRD-LBPRGKRZSA-N 1 2 344.249 2.435 20 10 EECDLO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2nnnn2C2CC2)cc1 ZINC000844400866 789067365 /nfs/dbraw/zinc/06/73/65/789067365.db2.gz GCMQKCUUNFYPMC-CYBMUJFWSA-N 1 2 330.436 2.146 20 10 EECDLO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2nnnn2C2CC2)cc1 ZINC000844400866 789067369 /nfs/dbraw/zinc/06/73/69/789067369.db2.gz GCMQKCUUNFYPMC-CYBMUJFWSA-N 1 2 330.436 2.146 20 10 EECDLO COc1cc(C(=O)NC2C[NH+](Cc3cccc(C)c3)C2)cc(OC)n1 ZINC001030611889 791275843 /nfs/dbraw/zinc/27/58/43/791275843.db2.gz YDDURYQRPPYSGT-UHFFFAOYSA-N 1 2 341.411 2.021 20 10 EECDLO Cc1nc(NCCCNC(=O)c2ccc(N=NC(N)=O)cc2)cc[nH+]1 ZINC001094475637 796312633 /nfs/dbraw/zinc/31/26/33/796312633.db2.gz CEFSBKDYUQUPAF-UHFFFAOYSA-N 1 2 341.375 2.179 20 10 EECDLO C[C@H]([NH2+]Cc1cnnn1C)c1cc(Br)cc(F)c1O ZINC000806659809 811947374 /nfs/dbraw/zinc/94/73/74/811947374.db2.gz FYNBGXUKLXNMDL-ZETCQYMHSA-N 1 2 329.173 2.273 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000188458076 539621357 /nfs/dbraw/zinc/62/13/57/539621357.db2.gz YKHLWDDCOZPSCL-SFHVURJKSA-N 1 2 331.460 2.012 20 10 EECDLO CN(C)c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000188458076 539621358 /nfs/dbraw/zinc/62/13/58/539621358.db2.gz YKHLWDDCOZPSCL-SFHVURJKSA-N 1 2 331.460 2.012 20 10 EECDLO CCCOc1ccc(C[N@@H+]2CCO[C@H](c3nnc(CC)[nH]3)C2)c(O)c1 ZINC000129161631 462692036 /nfs/dbraw/zinc/69/20/36/462692036.db2.gz ORSGERGJXDSXDP-INIZCTEOSA-N 1 2 346.431 2.435 20 10 EECDLO CCCOc1ccc(C[N@H+]2CCO[C@H](c3nnc(CC)[nH]3)C2)c(O)c1 ZINC000129161631 462692041 /nfs/dbraw/zinc/69/20/41/462692041.db2.gz ORSGERGJXDSXDP-INIZCTEOSA-N 1 2 346.431 2.435 20 10 EECDLO CCCOc1ccc(C[N@@H+]2CCO[C@H](c3n[nH]c(CC)n3)C2)c(O)c1 ZINC000129161631 462692048 /nfs/dbraw/zinc/69/20/48/462692048.db2.gz ORSGERGJXDSXDP-INIZCTEOSA-N 1 2 346.431 2.435 20 10 EECDLO CCCOc1ccc(C[N@H+]2CCO[C@H](c3n[nH]c(CC)n3)C2)c(O)c1 ZINC000129161631 462692055 /nfs/dbraw/zinc/69/20/55/462692055.db2.gz ORSGERGJXDSXDP-INIZCTEOSA-N 1 2 346.431 2.435 20 10 EECDLO CN(C)c1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1F ZINC000057647740 463505457 /nfs/dbraw/zinc/50/54/57/463505457.db2.gz ZYSIZFMANWIGHM-UHFFFAOYSA-N 1 2 331.395 2.198 20 10 EECDLO CN1CCCc2cc(CNC(=O)NCCNc3cccc[nH+]3)ccc21 ZINC000057661852 463505916 /nfs/dbraw/zinc/50/59/16/463505916.db2.gz ROCJEKAMZRJOPY-UHFFFAOYSA-N 1 2 339.443 2.375 20 10 EECDLO COc1c(O)c(C[NH+]2CCN(Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000278328200 463963744 /nfs/dbraw/zinc/96/37/44/463963744.db2.gz YZFYECVNBILEQV-UHFFFAOYSA-N 1 2 347.371 2.220 20 10 EECDLO COc1c(O)c(CN2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000278328200 463963747 /nfs/dbraw/zinc/96/37/47/463963747.db2.gz YZFYECVNBILEQV-UHFFFAOYSA-N 1 2 347.371 2.220 20 10 EECDLO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273359532 464712463 /nfs/dbraw/zinc/71/24/63/464712463.db2.gz DJWWDIGRNKBRAO-SNVBAGLBSA-N 1 2 334.376 2.456 20 10 EECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000295770878 464958860 /nfs/dbraw/zinc/95/88/60/464958860.db2.gz YMPCINMIVYTPKK-AWEZNQCLSA-N 1 2 338.379 2.397 20 10 EECDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184694188 465019349 /nfs/dbraw/zinc/01/93/49/465019349.db2.gz PZMNFAIVHDKMBO-JTQLQIEISA-N 1 2 335.853 2.309 20 10 EECDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184694188 465019351 /nfs/dbraw/zinc/01/93/51/465019351.db2.gz PZMNFAIVHDKMBO-JTQLQIEISA-N 1 2 335.853 2.309 20 10 EECDLO C[N@H+](Cc1nnc2n1CCCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000369543140 466737079 /nfs/dbraw/zinc/73/70/79/466737079.db2.gz BNJBNNULLHCJBM-UHFFFAOYSA-N 1 2 341.459 2.083 20 10 EECDLO C[N@@H+](Cc1nnc2n1CCCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000369543140 466737084 /nfs/dbraw/zinc/73/70/84/466737084.db2.gz BNJBNNULLHCJBM-UHFFFAOYSA-N 1 2 341.459 2.083 20 10 EECDLO C[C@H]([NH2+]C[C@@H]1COCCN1)c1cc(Br)cc(Cl)c1O ZINC000530228296 467965420 /nfs/dbraw/zinc/96/54/20/467965420.db2.gz ZTAMYEXHPKJPQA-WCBMZHEXSA-N 1 2 349.656 2.447 20 10 EECDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000762632282 577704955 /nfs/dbraw/zinc/70/49/55/577704955.db2.gz FPONWZCQVOLCLK-CYBMUJFWSA-N 1 2 341.404 2.214 20 10 EECDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000762632282 577704956 /nfs/dbraw/zinc/70/49/56/577704956.db2.gz FPONWZCQVOLCLK-CYBMUJFWSA-N 1 2 341.404 2.214 20 10 EECDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000763386512 577720404 /nfs/dbraw/zinc/72/04/04/577720404.db2.gz ZSKXFGZPDZYKIL-CQSZACIVSA-N 1 2 341.473 2.404 20 10 EECDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000763386512 577720405 /nfs/dbraw/zinc/72/04/05/577720405.db2.gz ZSKXFGZPDZYKIL-CQSZACIVSA-N 1 2 341.473 2.404 20 10 EECDLO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@@]1=O ZINC000763482448 577721807 /nfs/dbraw/zinc/72/18/07/577721807.db2.gz KJTYHQSQNQLQAZ-PSLXWICFSA-N 1 2 340.464 2.005 20 10 EECDLO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@@]1=O ZINC000763482448 577721808 /nfs/dbraw/zinc/72/18/08/577721808.db2.gz KJTYHQSQNQLQAZ-PSLXWICFSA-N 1 2 340.464 2.005 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754727153 577811507 /nfs/dbraw/zinc/81/15/07/577811507.db2.gz QBCVMRBUBBJYBL-HNNXBMFYSA-N 1 2 337.416 2.072 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000754727153 577811508 /nfs/dbraw/zinc/81/15/08/577811508.db2.gz QBCVMRBUBBJYBL-HNNXBMFYSA-N 1 2 337.416 2.072 20 10 EECDLO COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(N(C)CCO)c[nH+]2)c1 ZINC000756844509 577851077 /nfs/dbraw/zinc/85/10/77/577851077.db2.gz JQENVOBQZCIMKW-GFCCVEGCSA-N 1 2 345.399 2.175 20 10 EECDLO CCN(CC)c1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1F ZINC000865635322 1198308148 /nfs/dbraw/zinc/30/81/48/1198308148.db2.gz DDSFVUWQKNNOFV-WAYWQWQTSA-N 1 2 349.450 2.177 20 10 EECDLO O=C(c1c(F)ccc(O)c1O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000880967745 1201614406 /nfs/dbraw/zinc/61/44/06/1201614406.db2.gz PNQUZGJVPIAZKZ-UHFFFAOYSA-N 1 2 342.370 2.195 20 10 EECDLO COCCN1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000882989220 1201992279 /nfs/dbraw/zinc/99/22/79/1201992279.db2.gz GRKMYDCAVQFHMM-LBPRGKRZSA-N 1 2 347.228 2.104 20 10 EECDLO COC(=O)[C@]1(F)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862252649 1295772355 /nfs/dbraw/zinc/77/23/55/1295772355.db2.gz VQXAATWPYQCGES-ZDUSSCGKSA-N 1 2 332.169 2.242 20 10 EECDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862252649 1295772365 /nfs/dbraw/zinc/77/23/65/1295772365.db2.gz VQXAATWPYQCGES-ZDUSSCGKSA-N 1 2 332.169 2.242 20 10 EECDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2c1ccc(OC)cc1OC ZINC001276993870 1300721500 /nfs/dbraw/zinc/72/15/00/1300721500.db2.gz GSZFGKOLPYHYIG-GASCZTMLSA-N 1 2 342.443 2.383 20 10 EECDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2c1ccc(OC)cc1OC ZINC001276993870 1300721504 /nfs/dbraw/zinc/72/15/04/1300721504.db2.gz GSZFGKOLPYHYIG-GASCZTMLSA-N 1 2 342.443 2.383 20 10 EECDLO COc1ccc(Br)c(CN2CCn3c[nH+]cc3C2)c1O ZINC001231553687 1303843546 /nfs/dbraw/zinc/84/35/46/1303843546.db2.gz APVLWZMLMQPTLK-UHFFFAOYSA-N 1 2 338.205 2.376 20 10 EECDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194770 1304034879 /nfs/dbraw/zinc/03/48/79/1304034879.db2.gz LYUVDXHPDGQTIY-KBPBESRZSA-N 1 2 328.815 2.081 20 10 EECDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194770 1304034883 /nfs/dbraw/zinc/03/48/83/1304034883.db2.gz LYUVDXHPDGQTIY-KBPBESRZSA-N 1 2 328.815 2.081 20 10 EECDLO COc1cnc(O[C@H]2CC[N@H+](Cc3c(O)ccc(F)c3F)C2)nc1 ZINC001233336536 1304436682 /nfs/dbraw/zinc/43/66/82/1304436682.db2.gz PACVIBCZTZRITO-JTQLQIEISA-N 1 2 337.326 2.122 20 10 EECDLO COc1cnc(O[C@H]2CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)nc1 ZINC001233336536 1304436687 /nfs/dbraw/zinc/43/66/87/1304436687.db2.gz PACVIBCZTZRITO-JTQLQIEISA-N 1 2 337.326 2.122 20 10 EECDLO Oc1c(CN2CC[NH+]([C@H]3CCOC3)CC2)cccc1C(F)(F)F ZINC001233416133 1304462117 /nfs/dbraw/zinc/46/21/17/1304462117.db2.gz WZIPLMAZHFUZLD-ZDUSSCGKSA-N 1 2 330.350 2.318 20 10 EECDLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236807141 1305684264 /nfs/dbraw/zinc/68/42/64/1305684264.db2.gz CLEPRXRXFIAXBK-CYBMUJFWSA-N 1 2 346.431 2.066 20 10 EECDLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236807141 1305684269 /nfs/dbraw/zinc/68/42/69/1305684269.db2.gz CLEPRXRXFIAXBK-CYBMUJFWSA-N 1 2 346.431 2.066 20 10 EECDLO COc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(O)c1Cl ZINC001236809223 1305685038 /nfs/dbraw/zinc/68/50/38/1305685038.db2.gz KHKQCQOWOXBOML-UHFFFAOYSA-N 1 2 338.835 2.499 20 10 EECDLO Cn1ncc2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001236929368 1305732911 /nfs/dbraw/zinc/73/29/11/1305732911.db2.gz FUHYHWXGEWNJBT-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO Cn1ncc2c1CC[N@@H+](Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001236929368 1305732920 /nfs/dbraw/zinc/73/29/20/1305732920.db2.gz FUHYHWXGEWNJBT-UHFFFAOYSA-N 1 2 346.862 2.468 20 10 EECDLO COc1ccc(N2CC[NH+](Cc3ccncc3OC)CC2)c(OC)c1 ZINC001206493471 1323511553 /nfs/dbraw/zinc/51/15/53/1323511553.db2.gz CHPPTRMLGIVUPU-UHFFFAOYSA-N 1 2 343.427 2.430 20 10 EECDLO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nnnn1C ZINC001308968589 1331611065 /nfs/dbraw/zinc/61/10/65/1331611065.db2.gz PLBXKNIQXFTYKH-VIFPVBQESA-N 1 2 328.342 2.146 20 10 EECDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n1C ZINC001340514499 1337199986 /nfs/dbraw/zinc/19/99/86/1337199986.db2.gz JTJUHKSZPRSTKE-LBPRGKRZSA-N 1 2 349.866 2.464 20 10 EECDLO CCc1nnc(C[NH2+][C@H](CC)c2cccc(-c3nn[nH]n3)c2O)s1 ZINC001590930449 1349417299 /nfs/dbraw/zinc/41/72/99/1349417299.db2.gz TVORCRGNPMAZJF-LLVKDONJSA-N 1 2 345.432 2.227 20 10 EECDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)CC1(C)OCCO1 ZINC001603552182 1350719393 /nfs/dbraw/zinc/71/93/93/1350719393.db2.gz SSLVZSUOUTWEGM-NEPJUHHUSA-N 1 2 347.419 2.012 20 10 EECDLO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603649860 1350733885 /nfs/dbraw/zinc/73/38/85/1350733885.db2.gz HBQZRZFCBHBCHB-RISCZKNCSA-N 1 2 329.404 2.325 20 10 EECDLO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603657915 1350735858 /nfs/dbraw/zinc/73/58/58/1350735858.db2.gz QJXCYJMXWHQJDF-GFCCVEGCSA-N 1 2 331.420 2.166 20 10 EECDLO C[C@H]([NH2+]CCOCc1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001603664158 1350737532 /nfs/dbraw/zinc/73/75/32/1350737532.db2.gz IFNOMYUWZWNVNX-ZDUSSCGKSA-N 1 2 339.399 2.440 20 10 EECDLO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001140337888 1372564450 /nfs/dbraw/zinc/56/44/50/1372564450.db2.gz LMIYBQWABCDWDH-LBPRGKRZSA-N 1 2 325.714 2.171 20 10 EECDLO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001140337888 1372564453 /nfs/dbraw/zinc/56/44/53/1372564453.db2.gz LMIYBQWABCDWDH-LBPRGKRZSA-N 1 2 325.714 2.171 20 10 EECDLO COC(=O)C1(O)CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236803882 777270491 /nfs/dbraw/zinc/27/04/91/777270491.db2.gz QDNXOQNJPHXFFW-UHFFFAOYSA-N 1 2 334.199 2.199 20 10 EECDLO O=C(CCn1cc[nH+]c1)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089850045 778055023 /nfs/dbraw/zinc/05/50/23/778055023.db2.gz LZTCDYRKJKPEKT-UHFFFAOYSA-N 1 2 343.406 2.150 20 10 EECDLO COC(=O)c1c(C[N@H+](C)Cc2cn[nH]c2)c2cc(F)ccc2n1C ZINC000894027559 780444162 /nfs/dbraw/zinc/44/41/62/780444162.db2.gz NSZMDXPVSXGZBQ-UHFFFAOYSA-N 1 2 330.363 2.459 20 10 EECDLO COC(=O)c1c(C[N@@H+](C)Cc2cn[nH]c2)c2cc(F)ccc2n1C ZINC000894027559 780444163 /nfs/dbraw/zinc/44/41/63/780444163.db2.gz NSZMDXPVSXGZBQ-UHFFFAOYSA-N 1 2 330.363 2.459 20 10 EECDLO CN(C)C(=O)N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000915206893 795718568 /nfs/dbraw/zinc/71/85/68/795718568.db2.gz PHCLEYLTKLFGJM-UHFFFAOYSA-N 1 2 335.448 2.195 20 10 EECDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000922053530 798776671 /nfs/dbraw/zinc/77/66/71/798776671.db2.gz DGHLPPOAYMIMHW-WBVHZDCISA-N 1 2 348.491 2.224 20 10 EECDLO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C(F)(F)F)O1 ZINC000793698833 810489978 /nfs/dbraw/zinc/48/99/78/810489978.db2.gz IERLEWZDLCFCQE-TZMCWYRMSA-N 1 2 347.333 2.360 20 10 EECDLO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C(F)(F)F)O1 ZINC000793698833 810489985 /nfs/dbraw/zinc/48/99/85/810489985.db2.gz IERLEWZDLCFCQE-TZMCWYRMSA-N 1 2 347.333 2.360 20 10 EECDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCn1cc[nH+]c1 ZINC000277172062 463898043 /nfs/dbraw/zinc/89/80/43/463898043.db2.gz BVDZQTIHXJWRTI-UHFFFAOYSA-N 1 2 348.790 2.097 20 10 EECDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000278565010 463970701 /nfs/dbraw/zinc/97/07/01/463970701.db2.gz BGVXWLIXRKGTKY-UHFFFAOYSA-N 1 2 328.453 2.291 20 10 EECDLO COc1ccnc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000179677123 464171683 /nfs/dbraw/zinc/17/16/83/464171683.db2.gz IVFWZBGIABCIDW-UHFFFAOYSA-N 1 2 334.807 2.166 20 10 EECDLO NC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000271776402 464381520 /nfs/dbraw/zinc/38/15/20/464381520.db2.gz HCVCNBNZPOFBBK-UHFFFAOYSA-N 1 2 345.830 2.467 20 10 EECDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC000183487152 464870940 /nfs/dbraw/zinc/87/09/40/464870940.db2.gz LFTFVIZTJUMUQU-UHFFFAOYSA-N 1 2 346.452 2.207 20 10 EECDLO COc1ccc(N2CC[NH+](CCCS(=O)(=O)C(C)C)CC2)cc1 ZINC000268256098 464994058 /nfs/dbraw/zinc/99/40/58/464994058.db2.gz WADFKFMHGBVEBC-UHFFFAOYSA-N 1 2 340.489 2.031 20 10 EECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000184702434 465019940 /nfs/dbraw/zinc/01/99/40/465019940.db2.gz VBJKEQQRGZDDSG-ZFWWWQNUSA-N 1 2 327.808 2.434 20 10 EECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000184702434 465019943 /nfs/dbraw/zinc/01/99/43/465019943.db2.gz VBJKEQQRGZDDSG-ZFWWWQNUSA-N 1 2 327.808 2.434 20 10 EECDLO COc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2C)c1 ZINC000368116754 466580746 /nfs/dbraw/zinc/58/07/46/466580746.db2.gz DYONYKMBQNXBAC-SFHVURJKSA-N 1 2 326.396 2.382 20 10 EECDLO COc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2C)c1 ZINC000368116754 466580754 /nfs/dbraw/zinc/58/07/54/466580754.db2.gz DYONYKMBQNXBAC-SFHVURJKSA-N 1 2 326.396 2.382 20 10 EECDLO COc1ccc([N@H+](CCCN2C(=O)CNC2=O)[C@@H](C)C2CC2)cc1 ZINC000109773878 533986131 /nfs/dbraw/zinc/98/61/31/533986131.db2.gz GBQUYNNMQXPNBP-ZDUSSCGKSA-N 1 2 331.416 2.242 20 10 EECDLO COc1ccc([N@@H+](CCCN2C(=O)CNC2=O)[C@@H](C)C2CC2)cc1 ZINC000109773878 533986136 /nfs/dbraw/zinc/98/61/36/533986136.db2.gz GBQUYNNMQXPNBP-ZDUSSCGKSA-N 1 2 331.416 2.242 20 10 EECDLO CCC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000131750770 528399638 /nfs/dbraw/zinc/39/96/38/528399638.db2.gz YSCYXHVNQPHJFM-SFHVURJKSA-N 1 2 333.476 2.212 20 10 EECDLO CCC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000131750770 528399643 /nfs/dbraw/zinc/39/96/43/528399643.db2.gz YSCYXHVNQPHJFM-SFHVURJKSA-N 1 2 333.476 2.212 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)CCc3cnn(C)c3)CC2)cc1 ZINC000726561948 576274116 /nfs/dbraw/zinc/27/41/16/576274116.db2.gz ANRILUDNLFHOPG-UHFFFAOYSA-N 1 2 342.443 2.147 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000731283421 577092761 /nfs/dbraw/zinc/09/27/61/577092761.db2.gz KSELSEXDEOWXJY-HNNXBMFYSA-N 1 2 335.448 2.035 20 10 EECDLO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000731283421 577092762 /nfs/dbraw/zinc/09/27/62/577092762.db2.gz KSELSEXDEOWXJY-HNNXBMFYSA-N 1 2 335.448 2.035 20 10 EECDLO CCc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc[nH+]1 ZINC000733188651 577211733 /nfs/dbraw/zinc/21/17/33/577211733.db2.gz VLNGVHOEBKYPET-OAHLLOKOSA-N 1 2 339.443 2.353 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000775717368 577443653 /nfs/dbraw/zinc/44/36/53/577443653.db2.gz DJIASMPTHCSCAJ-GFCCVEGCSA-N 1 2 328.815 2.339 20 10 EECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000775717368 577443654 /nfs/dbraw/zinc/44/36/54/577443654.db2.gz DJIASMPTHCSCAJ-GFCCVEGCSA-N 1 2 328.815 2.339 20 10 EECDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000770508628 577597821 /nfs/dbraw/zinc/59/78/21/577597821.db2.gz CGKPYWBINQQAAU-UHFFFAOYSA-N 1 2 347.396 2.320 20 10 EECDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715794174 683836623 /nfs/dbraw/zinc/83/66/23/683836623.db2.gz JALLOMMGJBOYOT-CVJBHZAOSA-N 1 2 338.242 2.493 20 10 EECDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715794174 683836631 /nfs/dbraw/zinc/83/66/31/683836631.db2.gz JALLOMMGJBOYOT-CVJBHZAOSA-N 1 2 338.242 2.493 20 10 EECDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000865030706 1198054062 /nfs/dbraw/zinc/05/40/62/1198054062.db2.gz CHSBASQDXMIFLW-PLNGDYQASA-N 1 2 343.471 2.182 20 10 EECDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ncnn1C ZINC000883101404 1202012451 /nfs/dbraw/zinc/01/24/51/1202012451.db2.gz HGTPSJDBBDVBBZ-ZETCQYMHSA-N 1 2 329.173 2.273 20 10 EECDLO COc1ccc(N2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)cc1 ZINC001274791642 1205163995 /nfs/dbraw/zinc/16/39/95/1205163995.db2.gz VZEXUEIFBTZPMR-LJQANCHMSA-N 1 2 340.427 2.021 20 10 EECDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827674190 1248633715 /nfs/dbraw/zinc/63/37/15/1248633715.db2.gz FVRNDFLVBCGOSG-SFHVURJKSA-N 1 2 332.444 2.359 20 10 EECDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827674190 1248633729 /nfs/dbraw/zinc/63/37/29/1248633729.db2.gz FVRNDFLVBCGOSG-SFHVURJKSA-N 1 2 332.444 2.359 20 10 EECDLO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850558088 1277266838 /nfs/dbraw/zinc/26/68/38/1277266838.db2.gz SNVCJKYRHRNSFZ-WFASDCNBSA-N 1 2 335.404 2.204 20 10 EECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H](C)N1CCO ZINC000862387740 1295820300 /nfs/dbraw/zinc/82/03/00/1295820300.db2.gz PRKUDKFYCBBEJS-TXEJJXNPSA-N 1 2 343.265 2.042 20 10 EECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H](C)N1CCO ZINC000862387740 1295820310 /nfs/dbraw/zinc/82/03/10/1295820310.db2.gz PRKUDKFYCBBEJS-TXEJJXNPSA-N 1 2 343.265 2.042 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)c(O)c1 ZINC001232836269 1304265080 /nfs/dbraw/zinc/26/50/80/1304265080.db2.gz MRNKMYMYPJEQFH-KBPBESRZSA-N 1 2 336.329 2.295 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)c(O)c1 ZINC001232836269 1304265083 /nfs/dbraw/zinc/26/50/83/1304265083.db2.gz MRNKMYMYPJEQFH-KBPBESRZSA-N 1 2 336.329 2.295 20 10 EECDLO COC[C@H]1CC[N@H+]1Cc1ccc(I)cc1O ZINC001232977364 1304313299 /nfs/dbraw/zinc/31/32/99/1304313299.db2.gz BABVLQODUQIVCX-LLVKDONJSA-N 1 2 333.169 2.218 20 10 EECDLO COC[C@H]1CC[N@@H+]1Cc1ccc(I)cc1O ZINC001232977364 1304313293 /nfs/dbraw/zinc/31/32/93/1304313293.db2.gz BABVLQODUQIVCX-LLVKDONJSA-N 1 2 333.169 2.218 20 10 EECDLO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010861 1304326070 /nfs/dbraw/zinc/32/60/70/1304326070.db2.gz VXVCLUCNMIGNHA-LLVKDONJSA-N 1 2 325.361 2.329 20 10 EECDLO CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010861 1304326075 /nfs/dbraw/zinc/32/60/75/1304326075.db2.gz VXVCLUCNMIGNHA-LLVKDONJSA-N 1 2 325.361 2.329 20 10 EECDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010087 1304326616 /nfs/dbraw/zinc/32/66/16/1304326616.db2.gz KVXDFXYTDQNCNR-LBPRGKRZSA-N 1 2 338.404 2.293 20 10 EECDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010087 1304326623 /nfs/dbraw/zinc/32/66/23/1304326623.db2.gz KVXDFXYTDQNCNR-LBPRGKRZSA-N 1 2 338.404 2.293 20 10 EECDLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487037 1304478497 /nfs/dbraw/zinc/47/84/97/1304478497.db2.gz MKJDPWCDCLHSED-UHFFFAOYSA-N 1 2 338.404 2.293 20 10 EECDLO COC(=O)c1ccnc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001235209962 1305150051 /nfs/dbraw/zinc/15/00/51/1305150051.db2.gz GAMXLJJFYPGHPI-UHFFFAOYSA-N 1 2 328.368 2.228 20 10 EECDLO COC(=O)c1ccnc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001235209962 1305150054 /nfs/dbraw/zinc/15/00/54/1305150054.db2.gz GAMXLJJFYPGHPI-UHFFFAOYSA-N 1 2 328.368 2.228 20 10 EECDLO CCOC(=O)C1C[NH+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236926774 1305731040 /nfs/dbraw/zinc/73/10/40/1305731040.db2.gz KBSKGHJFIWVHTA-UHFFFAOYSA-N 1 2 338.835 2.172 20 10 EECDLO COc1cc(O)c(C[N@H+]2C[C@H](F)C[C@H]2CO)c(Br)c1 ZINC001237061763 1305783273 /nfs/dbraw/zinc/78/32/73/1305783273.db2.gz HNGQWRBRNZDSNT-BDAKNGLRSA-N 1 2 334.185 2.068 20 10 EECDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(Br)c1 ZINC001237061763 1305783264 /nfs/dbraw/zinc/78/32/64/1305783264.db2.gz HNGQWRBRNZDSNT-BDAKNGLRSA-N 1 2 334.185 2.068 20 10 EECDLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582909 1314909961 /nfs/dbraw/zinc/90/99/61/1314909961.db2.gz PETJZXVFVRZYLJ-NWDGAFQWSA-N 1 2 332.350 2.451 20 10 EECDLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582909 1314909964 /nfs/dbraw/zinc/90/99/64/1314909964.db2.gz PETJZXVFVRZYLJ-NWDGAFQWSA-N 1 2 332.350 2.451 20 10 EECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141076447 1315037290 /nfs/dbraw/zinc/03/72/90/1315037290.db2.gz RZPIDEVNRICNQQ-SFHVURJKSA-N 1 2 344.455 2.149 20 10 EECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141076447 1315037293 /nfs/dbraw/zinc/03/72/93/1315037293.db2.gz RZPIDEVNRICNQQ-SFHVURJKSA-N 1 2 344.455 2.149 20 10 EECDLO Cc1cc(NS(=O)(=O)c2cccc3nonc32)ccc1C[NH+](C)C ZINC000840953187 1315444848 /nfs/dbraw/zinc/44/48/48/1315444848.db2.gz IDCUDRKDWIYFAE-UHFFFAOYSA-N 1 2 346.412 2.394 20 10 EECDLO CCOC(=O)CCCOc1ccc(C[NH+]2CCC(=O)CC2)c(O)c1 ZINC001249726013 1317159611 /nfs/dbraw/zinc/15/96/11/1317159611.db2.gz WDGINMZRLAMMFQ-UHFFFAOYSA-N 1 2 335.400 2.279 20 10 EECDLO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308332608 1331584089 /nfs/dbraw/zinc/58/40/89/1331584089.db2.gz XMUWRTMXSSLACB-AWEZNQCLSA-N 1 2 346.830 2.452 20 10 EECDLO CN1CCN(c2ccc(C[NH2+][C@@H](CCO)c3ccco3)cc2F)CC1 ZINC001320584021 1332915474 /nfs/dbraw/zinc/91/54/74/1332915474.db2.gz OTWJPFNRULZJNM-KRWDZBQOSA-N 1 2 347.434 2.384 20 10 EECDLO CN(C)c1cc(F)c(CNc2ccc(N(C)CCO)c[nH+]2)cc1F ZINC001331521302 1335030263 /nfs/dbraw/zinc/03/02/63/1335030263.db2.gz UJKSUITXGCLBQU-UHFFFAOYSA-N 1 2 336.386 2.466 20 10 EECDLO COc1c(N)[nH+]cnc1NCc1ccc(N2CCSCC2)cc1 ZINC000848647259 1338735776 /nfs/dbraw/zinc/73/57/76/1338735776.db2.gz PCXAFXRGYANVPT-UHFFFAOYSA-N 1 2 331.445 2.233 20 10 EECDLO COc1c(N)nc[nH+]c1NCc1ccc(N2CCSCC2)cc1 ZINC000848647259 1338735778 /nfs/dbraw/zinc/73/57/78/1338735778.db2.gz PCXAFXRGYANVPT-UHFFFAOYSA-N 1 2 331.445 2.233 20 10 EECDLO COc1cc(Cl)cc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1O ZINC000848924607 1338807865 /nfs/dbraw/zinc/80/78/65/1338807865.db2.gz WTNBJFOXTSAWAF-NSHDSACASA-N 1 2 338.795 2.314 20 10 EECDLO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978544 1349089805 /nfs/dbraw/zinc/08/98/05/1349089805.db2.gz NZGSRDUBMRXUQC-TVQRCGJNSA-N 1 2 331.401 2.018 20 10 EECDLO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001590466657 1349341501 /nfs/dbraw/zinc/34/15/01/1349341501.db2.gz LJLDSPZHMKRVJD-YXMPFFBPSA-N 1 2 331.420 2.427 20 10 EECDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)CN(C3CCCC3)C2=O)cc1 ZINC000113238688 1358714528 /nfs/dbraw/zinc/71/45/28/1358714528.db2.gz JMTJVYLLVVAAHY-UHFFFAOYSA-N 1 2 344.459 2.349 20 10 EECDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)CN(C3CCCC3)C2=O)cc1 ZINC000113238688 1358714531 /nfs/dbraw/zinc/71/45/31/1358714531.db2.gz JMTJVYLLVVAAHY-UHFFFAOYSA-N 1 2 344.459 2.349 20 10 EECDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1)c1ccncc1 ZINC001137841397 1372283249 /nfs/dbraw/zinc/28/32/49/1372283249.db2.gz CZUUOOLLCNCISM-CQSZACIVSA-N 1 2 329.375 2.321 20 10 EECDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1)c1ccncc1 ZINC001137841397 1372283251 /nfs/dbraw/zinc/28/32/51/1372283251.db2.gz CZUUOOLLCNCISM-CQSZACIVSA-N 1 2 329.375 2.321 20 10 EECDLO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894049743 780462469 /nfs/dbraw/zinc/46/24/69/780462469.db2.gz KTGXIFXSCNQCJT-GJZGRUSLSA-N 1 2 327.371 2.422 20 10 EECDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1COCCO1 ZINC000708173054 786763812 /nfs/dbraw/zinc/76/38/12/786763812.db2.gz UMWWMICWJBJXMO-JTQLQIEISA-N 1 2 336.613 2.313 20 10 EECDLO Cc1cc(C(=O)C[N@H+](CCO)CCCO)c(C)n1-c1cccc(F)c1 ZINC000131606376 237208037 /nfs/dbraw/zinc/20/80/37/237208037.db2.gz IEHLGLMFHVCCLO-UHFFFAOYSA-N 1 2 348.418 2.093 20 10 EECDLO Cc1cc(C(=O)C[N@@H+](CCO)CCCO)c(C)n1-c1cccc(F)c1 ZINC000131606376 237208048 /nfs/dbraw/zinc/20/80/48/237208048.db2.gz IEHLGLMFHVCCLO-UHFFFAOYSA-N 1 2 348.418 2.093 20 10 EECDLO O=C(c1ccsc1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000054567258 463244607 /nfs/dbraw/zinc/24/46/07/463244607.db2.gz RDJSBTZBOGDONL-UHFFFAOYSA-N 1 2 346.408 2.140 20 10 EECDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187532663 464138773 /nfs/dbraw/zinc/13/87/73/464138773.db2.gz RCKXNHQENGTMBY-AWEZNQCLSA-N 1 2 328.206 2.146 20 10 EECDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187532663 464138777 /nfs/dbraw/zinc/13/87/77/464138777.db2.gz RCKXNHQENGTMBY-AWEZNQCLSA-N 1 2 328.206 2.146 20 10 EECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](C)CC ZINC000276378518 464910161 /nfs/dbraw/zinc/91/01/61/464910161.db2.gz AGIAPWGGLVVUKZ-BDJLRTHQSA-N 1 2 325.405 2.477 20 10 EECDLO COc1ccc([NH+]2CCC(NC(=O)COc3cc(C)on3)CC2)cc1 ZINC000726560726 576274201 /nfs/dbraw/zinc/27/42/01/576274201.db2.gz JVMHRIHNYHWEOK-UHFFFAOYSA-N 1 2 345.399 2.156 20 10 EECDLO COc1c(O)c(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000775077322 577428987 /nfs/dbraw/zinc/42/89/87/577428987.db2.gz BKQAKEOQYXYFJQ-JTQLQIEISA-N 1 2 339.392 2.044 20 10 EECDLO COc1c(O)c(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000775077322 577428988 /nfs/dbraw/zinc/42/89/88/577428988.db2.gz BKQAKEOQYXYFJQ-JTQLQIEISA-N 1 2 339.392 2.044 20 10 EECDLO C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(N(C)C)cc1 ZINC000777638398 577483835 /nfs/dbraw/zinc/48/38/35/577483835.db2.gz VOIXGWIAEXADCC-UKRRQHHQSA-N 1 2 327.432 2.324 20 10 EECDLO CN1CCCc2cc(CNC(=O)N[C@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000777671678 577484603 /nfs/dbraw/zinc/48/46/03/577484603.db2.gz YMWAZIOIQPHNPN-INIZCTEOSA-N 1 2 339.443 2.080 20 10 EECDLO COC(=O)COc1ccc(N(C)Cc2cc[nH+]c(N(C)C)c2)cc1 ZINC000754268961 577803533 /nfs/dbraw/zinc/80/35/33/577803533.db2.gz DEANMYIJDCLUDW-UHFFFAOYSA-N 1 2 329.400 2.336 20 10 EECDLO C[C@H](NC(=O)C1=CC(=O)CS1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741296485 578116433 /nfs/dbraw/zinc/11/64/33/578116433.db2.gz MCWQNGDJZOZCSK-BBRMVZONSA-N 1 2 346.452 2.473 20 10 EECDLO C[C@H](NC(=O)C1=CC(=O)CS1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741296485 578116434 /nfs/dbraw/zinc/11/64/34/578116434.db2.gz MCWQNGDJZOZCSK-BBRMVZONSA-N 1 2 346.452 2.473 20 10 EECDLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000189360521 679521226 /nfs/dbraw/zinc/52/12/26/679521226.db2.gz UIPOXFMKIRVZKG-INIZCTEOSA-N 1 2 329.400 2.256 20 10 EECDLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000189360521 679521228 /nfs/dbraw/zinc/52/12/28/679521228.db2.gz UIPOXFMKIRVZKG-INIZCTEOSA-N 1 2 329.400 2.256 20 10 EECDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cccc1F ZINC001273265649 1197889598 /nfs/dbraw/zinc/88/95/98/1197889598.db2.gz IVQAIPMIFFXSNC-BFUOFWGJSA-N 1 2 348.418 2.466 20 10 EECDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2O)N1C1COC1 ZINC001274234697 1204969861 /nfs/dbraw/zinc/96/98/61/1204969861.db2.gz OQXOECLBCNLMHD-HUUCEWRRSA-N 1 2 336.819 2.010 20 10 EECDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(Cl)c2O)N1C1COC1 ZINC001274234697 1204969864 /nfs/dbraw/zinc/96/98/64/1204969864.db2.gz OQXOECLBCNLMHD-HUUCEWRRSA-N 1 2 336.819 2.010 20 10 EECDLO O=C(NCCCSc1nccs1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779632269 1210636293 /nfs/dbraw/zinc/63/62/93/1210636293.db2.gz ZGBCTAZJOVMNCF-LLVKDONJSA-N 1 2 337.474 2.136 20 10 EECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1F ZINC000800534365 1234273462 /nfs/dbraw/zinc/27/34/62/1234273462.db2.gz LWXBSYYKVHBDAG-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO CN(C)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1F ZINC000800534365 1234273465 /nfs/dbraw/zinc/27/34/65/1234273465.db2.gz LWXBSYYKVHBDAG-AWEZNQCLSA-N 1 2 328.453 2.291 20 10 EECDLO COc1ccc(Br)c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC001231548066 1303840944 /nfs/dbraw/zinc/84/09/44/1303840944.db2.gz OGNDSZWCUXVWJV-BDAKNGLRSA-N 1 2 334.185 2.068 20 10 EECDLO COc1ccc(Br)c(C[N@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC001231548066 1303840949 /nfs/dbraw/zinc/84/09/49/1303840949.db2.gz OGNDSZWCUXVWJV-BDAKNGLRSA-N 1 2 334.185 2.068 20 10 EECDLO C[C@H]1CN(C2C[NH+](Cc3cc(Cl)c(O)cc3O)C2)C[C@H](C)O1 ZINC001232266846 1304058672 /nfs/dbraw/zinc/05/86/72/1304058672.db2.gz ZVRYUAWKDIAANK-QWRGUYRKSA-N 1 2 326.824 2.045 20 10 EECDLO CCOC(=O)c1c(C[N@@H+]2CC[C@](F)(CO)C2)c2ccccc2n1C ZINC001233270487 1304412760 /nfs/dbraw/zinc/41/27/60/1304412760.db2.gz PJRMYIHKTWGJGC-GOSISDBHSA-N 1 2 334.391 2.261 20 10 EECDLO CCOC(=O)c1c(C[N@H+]2CC[C@](F)(CO)C2)c2ccccc2n1C ZINC001233270487 1304412764 /nfs/dbraw/zinc/41/27/64/1304412764.db2.gz PJRMYIHKTWGJGC-GOSISDBHSA-N 1 2 334.391 2.261 20 10 EECDLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486559 1304478606 /nfs/dbraw/zinc/47/86/06/1304478606.db2.gz ROYOXQXZBNXSOT-AWEZNQCLSA-N 1 2 331.368 2.020 20 10 EECDLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486559 1304478608 /nfs/dbraw/zinc/47/86/08/1304478608.db2.gz ROYOXQXZBNXSOT-AWEZNQCLSA-N 1 2 331.368 2.020 20 10 EECDLO CC(=O)NC1C[NH+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236788942 1305676949 /nfs/dbraw/zinc/67/69/49/1305676949.db2.gz LWBICAPSJXUIFV-UHFFFAOYSA-N 1 2 326.396 2.292 20 10 EECDLO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C[C@@H]1F ZINC001236925760 1305731093 /nfs/dbraw/zinc/73/10/93/1305731093.db2.gz WIBPLCGWOXGEFH-DLBZAZTESA-N 1 2 342.842 2.471 20 10 EECDLO C[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C[C@@H]1F ZINC001236925760 1305731103 /nfs/dbraw/zinc/73/11/03/1305731103.db2.gz WIBPLCGWOXGEFH-DLBZAZTESA-N 1 2 342.842 2.471 20 10 EECDLO Oc1ccc(F)c(Cl)c1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001237121411 1305803911 /nfs/dbraw/zinc/80/39/11/1305803911.db2.gz MRIGQWDNOZPVHI-UHFFFAOYSA-N 1 2 328.815 2.481 20 10 EECDLO Oc1ccc(F)c(Cl)c1CN1CCC([NH+]2CCOCC2)CC1 ZINC001237121411 1305803931 /nfs/dbraw/zinc/80/39/31/1305803931.db2.gz MRIGQWDNOZPVHI-UHFFFAOYSA-N 1 2 328.815 2.481 20 10 EECDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]21 ZINC001237617508 1306006805 /nfs/dbraw/zinc/00/68/05/1306006805.db2.gz AJCGKYUQQVFYRX-IMRBUKKESA-N 1 2 326.799 2.387 20 10 EECDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]21 ZINC001237617508 1306006818 /nfs/dbraw/zinc/00/68/18/1306006818.db2.gz AJCGKYUQQVFYRX-IMRBUKKESA-N 1 2 326.799 2.387 20 10 EECDLO O=S(=O)(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1cccc2nonc21 ZINC001237721471 1306065149 /nfs/dbraw/zinc/06/51/49/1306065149.db2.gz XRAUZQWCFVCOFQ-GFCCVEGCSA-N 1 2 344.396 2.101 20 10 EECDLO Cc1ncc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2F)cn1 ZINC001140664933 1314925191 /nfs/dbraw/zinc/92/51/91/1314925191.db2.gz WUEIFRDOCMECPL-UHFFFAOYSA-N 1 2 330.407 2.393 20 10 EECDLO Cc1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2F)cn1 ZINC001140664933 1314925193 /nfs/dbraw/zinc/92/51/93/1314925193.db2.gz WUEIFRDOCMECPL-UHFFFAOYSA-N 1 2 330.407 2.393 20 10 EECDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141076446 1315037567 /nfs/dbraw/zinc/03/75/67/1315037567.db2.gz RZPIDEVNRICNQQ-GOSISDBHSA-N 1 2 344.455 2.149 20 10 EECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141076446 1315037571 /nfs/dbraw/zinc/03/75/71/1315037571.db2.gz RZPIDEVNRICNQQ-GOSISDBHSA-N 1 2 344.455 2.149 20 10 EECDLO CC(=O)N1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1C ZINC001203649694 1321932123 /nfs/dbraw/zinc/93/21/23/1321932123.db2.gz AZOOAJACUIDKSL-JTQLQIEISA-N 1 2 327.222 2.207 20 10 EECDLO CC(=O)N1CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1C ZINC001203649694 1321932124 /nfs/dbraw/zinc/93/21/24/1321932124.db2.gz AZOOAJACUIDKSL-JTQLQIEISA-N 1 2 327.222 2.207 20 10 EECDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(-c2nn[nH]n2)c1O ZINC001589977399 1349088956 /nfs/dbraw/zinc/08/89/56/1349088956.db2.gz XMUWKLADFIWGLW-QMMMGPOBSA-N 1 2 343.416 2.152 20 10 EECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001607110824 1351422417 /nfs/dbraw/zinc/42/24/17/1351422417.db2.gz JKMIYYTYVZJHPV-CQSZACIVSA-N 1 2 341.802 2.483 20 10 EECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3c(O)cccc3Br)[C@H]2C1 ZINC001140099967 757559014 /nfs/dbraw/zinc/55/90/14/757559014.db2.gz ABUARCPFXQZPFI-VZJVUDMVSA-N 1 2 342.233 2.126 20 10 EECDLO CCO[C@@H](C)C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089810558 776060513 /nfs/dbraw/zinc/06/05/13/776060513.db2.gz RNJKMTRQNDJKQQ-HNNXBMFYSA-N 1 2 346.475 2.470 20 10 EECDLO CC[C@@H](OC)C(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089815341 776360965 /nfs/dbraw/zinc/36/09/65/776360965.db2.gz UXYICKRAPYVWAY-QGZVFWFLSA-N 1 2 346.475 2.470 20 10 EECDLO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894049745 780462458 /nfs/dbraw/zinc/46/24/58/780462458.db2.gz KTGXIFXSCNQCJT-LSDHHAIUSA-N 1 2 327.371 2.422 20 10 EECDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cn1 ZINC000789958090 808294787 /nfs/dbraw/zinc/29/47/87/808294787.db2.gz NYPBWQUMJHKIEP-UHFFFAOYSA-N 1 2 342.330 2.056 20 10 EECDLO