smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCNc1ncnc2c1oc1nc(C)c3c(c12)CC(C)(C)OC3 ZINC000002226412 817380158 /nfs/dbraw/zinc/38/01/58/817380158.db2.gz JKBINAIOHIXMRP-UHFFFAOYSA-N 1 0 397.523 4.075 50 0 GIAARO Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000002631334 817394159 /nfs/dbraw/zinc/39/41/59/817394159.db2.gz GLWSPULZWIRYTR-GOSISDBHSA-N 1 0 382.529 4.224 50 0 GIAARO CCC[NH+]1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000003058530 817416208 /nfs/dbraw/zinc/41/62/08/817416208.db2.gz NGACUQLGCVZQKX-UHFFFAOYSA-N 1 0 383.927 4.199 50 0 GIAARO CCC[NH2+]CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OCC ZINC000003323373 817436838 /nfs/dbraw/zinc/43/68/38/817436838.db2.gz OSOPUUWTRZLHHZ-UHFFFAOYSA-N 1 0 380.897 4.183 50 0 GIAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000004301585 817518389 /nfs/dbraw/zinc/51/83/89/817518389.db2.gz NHBIUSXQFCMSRS-OIBXWCBGSA-N 1 0 383.463 4.423 50 0 GIAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000004725452 817533824 /nfs/dbraw/zinc/53/38/24/817533824.db2.gz FPSLGKGTZSFLOH-UHFFFAOYSA-N 1 0 388.511 4.377 50 0 GIAARO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(-n3ccnc3)cc1)O[C@@H](C)C2 ZINC000007984347 817975724 /nfs/dbraw/zinc/97/57/24/817975724.db2.gz ITQOEDQDJZSWPF-DLBZAZTESA-N 1 0 377.488 4.445 50 0 GIAARO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000008156744 818008600 /nfs/dbraw/zinc/00/86/00/818008600.db2.gz HLASIRSZLZBNGM-QFIPXVFZSA-N 1 0 391.515 4.331 50 0 GIAARO COc1ccc([C@@H](CNC(=O)Cc2coc3cc(C)ccc23)[NH+]2CCCC2)cc1 ZINC000008230626 818020774 /nfs/dbraw/zinc/02/07/74/818020774.db2.gz OKDFCLGXNIDWLA-JOCHJYFZSA-N 1 0 392.499 4.246 50 0 GIAARO O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CC[NH+](Cc1ccoc1)CC2 ZINC000011787907 818120461 /nfs/dbraw/zinc/12/04/61/818120461.db2.gz CXAYUOJLCLVIJL-SFHVURJKSA-N 1 0 392.421 4.217 50 0 GIAARO COc1ccccc1NC(=O)[C@H]1CC12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000011969996 818133441 /nfs/dbraw/zinc/13/34/41/818133441.db2.gz XHOCGICDYBRUCH-LJQANCHMSA-N 1 0 389.499 4.417 50 0 GIAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000012057473 818139770 /nfs/dbraw/zinc/13/97/70/818139770.db2.gz BNJVCMNPOJJHQA-UHFFFAOYSA-N 1 0 376.500 4.278 50 0 GIAARO Cc1ocnc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012197053 818145790 /nfs/dbraw/zinc/14/57/90/818145790.db2.gz GTFDWNOEZGWZQV-HSZRJFAPSA-N 1 0 381.520 4.235 50 0 GIAARO CC(C)c1nc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cs1 ZINC000012298175 818152829 /nfs/dbraw/zinc/15/28/29/818152829.db2.gz GNKYNPMLCZDGSN-QHCPKHFHSA-N 1 0 397.588 4.437 50 0 GIAARO Cc1ccccc1-c1cnnc(NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000012387269 818156449 /nfs/dbraw/zinc/15/64/49/818156449.db2.gz YNYBPXHMGOGXSR-OAQYLSRUSA-N 1 0 387.531 4.214 50 0 GIAARO CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)o1 ZINC000012429973 818158557 /nfs/dbraw/zinc/15/85/57/818158557.db2.gz IJSBJCBLOBSJOP-QGZVFWFLSA-N 1 0 378.476 4.083 50 0 GIAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2ccc3oc(C)cc3c2)C1 ZINC000012448992 818160790 /nfs/dbraw/zinc/16/07/90/818160790.db2.gz NCGOLEPQOSKRJQ-NRFANRHFSA-N 1 0 377.488 4.263 50 0 GIAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2ccc3oc(C)cc3c2)C1 ZINC000012448991 818160938 /nfs/dbraw/zinc/16/09/38/818160938.db2.gz NCGOLEPQOSKRJQ-OAQYLSRUSA-N 1 0 377.488 4.263 50 0 GIAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)s1 ZINC000012574881 818167474 /nfs/dbraw/zinc/16/74/74/818167474.db2.gz RZCBLTBYTRHTAC-INIZCTEOSA-N 1 0 398.557 4.426 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc2ccccc2c1 ZINC000013109756 818203045 /nfs/dbraw/zinc/20/30/45/818203045.db2.gz BGOUJACGWBNQQD-JTHBVZDNSA-N 1 0 392.524 4.145 50 0 GIAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962590 818279252 /nfs/dbraw/zinc/27/92/52/818279252.db2.gz CMUYKLICSRDAJP-VWLOTQADSA-N 1 0 394.559 4.200 50 0 GIAARO Cc1ccccc1-c1ccc(C[N@H+]2CCC(=O)N(Cc3cccnc3)CC2)cc1 ZINC000014986518 818280868 /nfs/dbraw/zinc/28/08/68/818280868.db2.gz WULJOTFJCSARBX-UHFFFAOYSA-N 1 0 385.511 4.292 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063485 818286958 /nfs/dbraw/zinc/28/69/58/818286958.db2.gz LLGKRHBDEDDZQI-DEOSSOPVSA-N 1 0 378.564 4.198 50 0 GIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000015074445 818287391 /nfs/dbraw/zinc/28/73/91/818287391.db2.gz QFDVKKNZORCLDN-DEOSSOPVSA-N 1 0 398.591 4.200 50 0 GIAARO COCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)o1 ZINC000015067606 818287794 /nfs/dbraw/zinc/28/77/94/818287794.db2.gz FREZEJUZHBFJKS-QHCPKHFHSA-N 1 0 388.552 4.211 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)[NH+]2CCCC2)cc1 ZINC000017911666 818532850 /nfs/dbraw/zinc/53/28/50/818532850.db2.gz FFEPXNGDHQCIAW-HXUWFJFHSA-N 1 0 396.462 4.456 50 0 GIAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000019793726 818605332 /nfs/dbraw/zinc/60/53/32/818605332.db2.gz XFVMFHZRNDWCKB-UHFFFAOYSA-N 1 0 383.289 4.157 50 0 GIAARO Cc1ccc([C@@](O)(c2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440675 818621147 /nfs/dbraw/zinc/62/11/47/818621147.db2.gz BBUXSGAOMXEODN-FTJBHMTQSA-N 1 0 387.523 4.347 50 0 GIAARO CC(C)(C)c1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020501905 818623701 /nfs/dbraw/zinc/62/37/01/818623701.db2.gz IZWSNIMRVXFNND-UHFFFAOYSA-N 1 0 390.527 4.408 50 0 GIAARO Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc2c3ccccc3[nH]c21 ZINC000020610066 818627259 /nfs/dbraw/zinc/62/72/59/818627259.db2.gz JHZKRGSMNZNQSK-UHFFFAOYSA-N 1 0 398.510 4.419 50 0 GIAARO CCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756605 818630434 /nfs/dbraw/zinc/63/04/34/818630434.db2.gz QLTPDCKWJYRDBA-DNQXCXABSA-N 1 0 383.532 4.189 50 0 GIAARO COc1ccc(-c2noc(NCC3CC[NH+](Cc4ccc(C)cc4)CC3)n2)cc1 ZINC000021630428 818716744 /nfs/dbraw/zinc/71/67/44/818716744.db2.gz FNXBTEYZQLJHLP-UHFFFAOYSA-N 1 0 392.503 4.378 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1 ZINC000021718186 818729737 /nfs/dbraw/zinc/72/97/37/818729737.db2.gz KLQARVJMTITNPG-XUSDQLEPSA-N 1 0 387.612 4.355 50 0 GIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)C1 ZINC000021934594 818757422 /nfs/dbraw/zinc/75/74/22/818757422.db2.gz QRBHFCRRFREVOY-GOSISDBHSA-N 1 0 388.515 4.149 50 0 GIAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCCC3)c1 ZINC000023429253 818939739 /nfs/dbraw/zinc/93/97/39/818939739.db2.gz JNNTYILSLMFTMS-KRWDZBQOSA-N 1 0 388.515 4.294 50 0 GIAARO O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000189335540 823396460 /nfs/dbraw/zinc/39/64/60/823396460.db2.gz YYYUGHTZGXYLRN-KRWDZBQOSA-N 1 0 391.943 4.469 50 0 GIAARO C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(SC)cc2)c(OC)c1 ZINC000034702112 821062285 /nfs/dbraw/zinc/06/22/85/821062285.db2.gz BZDGCTZQNFLBHE-SFFCAUCYSA-N 1 0 387.545 4.322 50 0 GIAARO CCn1nc(C(=O)NCC[C@@H]2CCC[N@@H+]2C)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902057 821063289 /nfs/dbraw/zinc/06/32/89/821063289.db2.gz XYMBVYDDFLDMLG-IBGZPJMESA-N 1 0 382.552 4.082 50 0 GIAARO c1ccc(-c2nnc(-c3cccnc3N3CCC([NH+]4CCCCC4)CC3)o2)cc1 ZINC000035461636 821065227 /nfs/dbraw/zinc/06/52/27/821065227.db2.gz ZQLIYTHVGVQYSI-UHFFFAOYSA-N 1 0 389.503 4.253 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1O ZINC000042460126 821307318 /nfs/dbraw/zinc/30/73/18/821307318.db2.gz DEQNEUJSKBRLCZ-OAHLLOKOSA-N 1 0 399.441 4.449 50 0 GIAARO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC000180718194 821415621 /nfs/dbraw/zinc/41/56/21/821415621.db2.gz RRYQRTPGSUPYLS-IBGZPJMESA-N 1 0 388.870 4.197 50 0 GIAARO O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000046507672 822479258 /nfs/dbraw/zinc/47/92/58/822479258.db2.gz OHQGCRDBDZMGOH-HSZRJFAPSA-N 1 0 394.515 4.483 50 0 GIAARO Cc1cccc(-c2ncc(C[NH2+][C@@H]3CCCc4c3cnn4-c3ccccn3)cn2)c1 ZINC000055284295 822949273 /nfs/dbraw/zinc/94/92/73/822949273.db2.gz JIZGXPKQCXMKLA-OAQYLSRUSA-N 1 0 396.498 4.200 50 0 GIAARO CCN(C[C@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1)CC(F)(F)F ZINC000187116673 823013053 /nfs/dbraw/zinc/01/30/53/823013053.db2.gz PVEOBKNZEYFCJN-CYBMUJFWSA-N 1 0 387.471 4.011 50 0 GIAARO CC(C)NC(=O)c1ccccc1OC[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000169765061 823913929 /nfs/dbraw/zinc/91/39/29/823913929.db2.gz MOPOAMXFRDTPKX-IBGZPJMESA-N 1 0 384.495 4.255 50 0 GIAARO O=C(c1ccco1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776650 823915545 /nfs/dbraw/zinc/91/55/45/823915545.db2.gz VJNRMRFGYSSDMG-NRFANRHFSA-N 1 0 394.515 4.098 50 0 GIAARO c1ccc(-c2nc(-c3ccncc3)no2)c(O[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000169785100 823916171 /nfs/dbraw/zinc/91/61/71/823916171.db2.gz AUZACZRBFQHEFC-SFHVURJKSA-N 1 0 376.460 4.194 50 0 GIAARO CCn1cc(CN2CCC([N@@H+]3CC4(CCCCC4)[C@@H]3c3ccncc3)CC2)cn1 ZINC000575545500 823975612 /nfs/dbraw/zinc/97/56/12/823975612.db2.gz NYEVQTWIUNSXJO-QHCPKHFHSA-N 1 0 393.579 4.270 50 0 GIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000575548660 823976548 /nfs/dbraw/zinc/97/65/48/823976548.db2.gz HZJSWZDHHXAFGB-LJQANCHMSA-N 1 0 376.504 4.347 50 0 GIAARO C[C@H](O)c1cccc(-c2ccc(C(=O)NCC3(C[NH+]4CCCC4)CC3)cc2)c1 ZINC000426429845 231220691 /nfs/dbraw/zinc/22/06/91/231220691.db2.gz RJMITCQLCPFBPM-SFHVURJKSA-N 1 0 378.516 4.013 50 0 GIAARO Cc1ccsc1CN(C)C(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000426552127 231241261 /nfs/dbraw/zinc/24/12/61/231241261.db2.gz ZIJWYARMGPCZKP-HXUWFJFHSA-N 1 0 385.577 4.153 50 0 GIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000004322923 204037859 /nfs/dbraw/zinc/03/78/59/204037859.db2.gz BSCCVUAAVZMDBG-GFCCVEGCSA-N 1 0 382.291 4.171 50 0 GIAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c2ccccc2[nH+]1 ZINC000004324562 204038046 /nfs/dbraw/zinc/03/80/46/204038046.db2.gz PUMMSADCQZDQQW-UHFFFAOYSA-N 1 0 382.414 4.176 50 0 GIAARO C[NH+](C)CCCN(C(=O)c1ccc(F)cc1)c1nc2ccc(F)cc2s1 ZINC000004359570 204040191 /nfs/dbraw/zinc/04/01/91/204040191.db2.gz YFYLQWDWWCBONL-UHFFFAOYSA-N 1 0 375.444 4.173 50 0 GIAARO C[NH+](C)CCNc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000003534158 204012722 /nfs/dbraw/zinc/01/27/22/204012722.db2.gz QAQQKQFMKXYZNE-UHFFFAOYSA-N 1 0 377.311 4.094 50 0 GIAARO Brc1ccc(OCc2ccccc2)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000004657492 204061290 /nfs/dbraw/zinc/06/12/90/204061290.db2.gz PREAXUKGCQUJBJ-GOSISDBHSA-N 1 0 376.294 4.297 50 0 GIAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004679089 204063127 /nfs/dbraw/zinc/06/31/27/204063127.db2.gz FNDQOZPFCXWUDB-UHFFFAOYSA-N 1 0 385.851 4.191 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccco3)C[C@H]21 ZINC000005092951 204110967 /nfs/dbraw/zinc/11/09/67/204110967.db2.gz HVXZSAMESAFWIJ-GOSISDBHSA-N 1 0 381.476 4.032 50 0 GIAARO Cc1cccc(-c2nc3c(c(SCC[NH+]4CCCC4)n2)COC(C)(C)C3)c1 ZINC000005206311 204119305 /nfs/dbraw/zinc/11/93/05/204119305.db2.gz FODHKVZOMKSYCV-UHFFFAOYSA-N 1 0 383.561 4.491 50 0 GIAARO COc1ccc(-c2nc(C[NH+]3CCCCC3)cc(C[NH+]3CCCCC3)c2[O-])cc1 ZINC000005003401 204101807 /nfs/dbraw/zinc/10/18/07/204101807.db2.gz WTHYXMFKXKYSMD-UHFFFAOYSA-N 1 0 395.547 4.435 50 0 GIAARO Cc1ccc(C2=[N+]3CCCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000005682771 204145537 /nfs/dbraw/zinc/14/55/37/204145537.db2.gz LIDSKWDCJBCSLB-QFIPXVFZSA-N 1 0 387.450 4.048 50 0 GIAARO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCC(=O)NC(C)(C)C ZINC000006882431 204220442 /nfs/dbraw/zinc/22/04/42/204220442.db2.gz OZHWDEBLDKFKNB-UHFFFAOYSA-N 1 0 376.541 4.191 50 0 GIAARO CCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000006997378 204228570 /nfs/dbraw/zinc/22/85/70/204228570.db2.gz CZZYIAPGJUVGOL-QFIPXVFZSA-N 1 0 382.504 4.051 50 0 GIAARO CCc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000007000459 204229310 /nfs/dbraw/zinc/22/93/10/204229310.db2.gz ADBXAEALRSKJOL-UHFFFAOYSA-N 1 0 392.478 4.293 50 0 GIAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCCc1ccccc1 ZINC000007540110 204242493 /nfs/dbraw/zinc/24/24/93/204242493.db2.gz HJJSZRFXWVLZOE-UHFFFAOYSA-N 1 0 391.467 4.335 50 0 GIAARO Clc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1Cl ZINC000007541405 204242642 /nfs/dbraw/zinc/24/26/42/204242642.db2.gz VIMOXBPEQPXMLK-UHFFFAOYSA-N 1 0 394.331 4.241 50 0 GIAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC000007718598 204247735 /nfs/dbraw/zinc/24/77/35/204247735.db2.gz AMDHCKRBASEHCI-IBGZPJMESA-N 1 0 395.455 4.161 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1C(=O)c1ccccc1 ZINC000008011556 204258730 /nfs/dbraw/zinc/25/87/30/204258730.db2.gz HCBACQTWEHFSHM-UHFFFAOYSA-N 1 0 398.506 4.443 50 0 GIAARO O=C([C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1)N1CCCC1 ZINC000008734373 204287576 /nfs/dbraw/zinc/28/75/76/204287576.db2.gz SSXHACWWYFQKSW-DEOSSOPVSA-N 1 0 391.559 4.126 50 0 GIAARO Cc1ccc2oc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc(=O)c2c1 ZINC000008848044 204291600 /nfs/dbraw/zinc/29/16/00/204291600.db2.gz HYRUSQLXYYGKIZ-UHFFFAOYSA-N 1 0 382.504 4.020 50 0 GIAARO Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310350 204270163 /nfs/dbraw/zinc/27/01/63/204270163.db2.gz PBWIWSGJGPEUQB-HXUWFJFHSA-N 1 0 380.488 4.240 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008327039 204271942 /nfs/dbraw/zinc/27/19/42/204271942.db2.gz FIMHXXSESYNGJU-OAHLLOKOSA-N 1 0 384.303 4.442 50 0 GIAARO COc1ccc2cc([C@H](C)C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)ccc2c1 ZINC000008346288 204273432 /nfs/dbraw/zinc/27/34/32/204273432.db2.gz FOQIAOHOCZGUOO-HTAPYJJXSA-N 1 0 392.499 4.498 50 0 GIAARO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc2)n1 ZINC000008427810 204276482 /nfs/dbraw/zinc/27/64/82/204276482.db2.gz WHCZATLACFJLRB-FQEVSTJZSA-N 1 0 394.544 4.118 50 0 GIAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104284 204306139 /nfs/dbraw/zinc/30/61/39/204306139.db2.gz BZCJWBODSLCZIW-XMMPIXPASA-N 1 0 379.475 4.406 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000009379506 204309797 /nfs/dbraw/zinc/30/97/97/204309797.db2.gz FWTRAEGZKCQBFY-SFHVURJKSA-N 1 0 376.504 4.020 50 0 GIAARO CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C)CC2)cc1 ZINC000010213834 204331730 /nfs/dbraw/zinc/33/17/30/204331730.db2.gz PFIBBOMZMPRQOC-OAQYLSRUSA-N 1 0 377.488 4.051 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1Br ZINC000010281375 204333042 /nfs/dbraw/zinc/33/30/42/204333042.db2.gz FGQNAJYELJBZBS-UHFFFAOYSA-N 1 0 387.321 4.365 50 0 GIAARO OCCOCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315457 204333758 /nfs/dbraw/zinc/33/37/58/204333758.db2.gz OPAODRFAPJNPGG-UHFFFAOYSA-N 1 0 393.314 4.095 50 0 GIAARO CC(C)[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccccc1 ZINC000010930581 204340031 /nfs/dbraw/zinc/34/00/31/204340031.db2.gz TVGBLVNXVWMODY-UHFFFAOYSA-N 1 0 393.531 4.208 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(C(C)C)no2)C1 ZINC000011661412 204348164 /nfs/dbraw/zinc/34/81/64/204348164.db2.gz NBWSGNWCKAUTHL-LJQANCHMSA-N 1 0 383.536 4.133 50 0 GIAARO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000011663120 204348984 /nfs/dbraw/zinc/34/89/84/204348984.db2.gz OHOJRLXVORYGIX-NRFANRHFSA-N 1 0 392.547 4.448 50 0 GIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011663277 204349221 /nfs/dbraw/zinc/34/92/21/204349221.db2.gz CTRVRMVSZLCKPX-QHCPKHFHSA-N 1 0 379.479 4.033 50 0 GIAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1OC ZINC000011759368 204353290 /nfs/dbraw/zinc/35/32/90/204353290.db2.gz HKARJZCBZDESBG-JOCHJYFZSA-N 1 0 389.923 4.174 50 0 GIAARO CN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011820501 204355010 /nfs/dbraw/zinc/35/50/10/204355010.db2.gz BKKSHHHCIVEWNU-JOCHJYFZSA-N 1 0 389.543 4.348 50 0 GIAARO Cc1nc2sccn2c1CN(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000011820263 204355946 /nfs/dbraw/zinc/35/59/46/204355946.db2.gz GKQJZIJUGPQYMI-FQEVSTJZSA-N 1 0 396.604 4.399 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCC(F)(F)F ZINC000011839900 204355995 /nfs/dbraw/zinc/35/59/95/204355995.db2.gz FJUSEHGXHZDUFT-MRXNPFEDSA-N 1 0 390.877 4.395 50 0 GIAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCC1CCCCC1 ZINC000011909692 204360819 /nfs/dbraw/zinc/36/08/19/204360819.db2.gz ODSPVGMJEHPEKQ-UHFFFAOYSA-N 1 0 380.532 4.491 50 0 GIAARO COc1ccccc1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCC[N@H+]13 ZINC000011932765 204361973 /nfs/dbraw/zinc/36/19/73/204361973.db2.gz VOKQPAYNIOZUTN-NYDSKATKSA-N 1 0 396.918 4.287 50 0 GIAARO CCCn1ncc(C[NH+]2CCC(CCc3ccccc3)(C(=O)OCC)CC2)c1C ZINC000011933478 204362957 /nfs/dbraw/zinc/36/29/57/204362957.db2.gz ORBKQZLXZWLGPO-UHFFFAOYSA-N 1 0 397.563 4.380 50 0 GIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(C)c3)oc2C)C1 ZINC000011949782 204363829 /nfs/dbraw/zinc/36/38/29/204363829.db2.gz HPVLPUMCTCNBNH-IBGZPJMESA-N 1 0 399.535 4.047 50 0 GIAARO Cc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)s1 ZINC000011957046 204364256 /nfs/dbraw/zinc/36/42/56/204364256.db2.gz ZPZFJMTUNHZWEK-QGZVFWFLSA-N 1 0 379.529 4.247 50 0 GIAARO COc1ccccc1C[NH+]1CCC2(C[C@H]2C(=O)NCCCc2ccccc2)CC1 ZINC000011964796 204366350 /nfs/dbraw/zinc/36/63/50/204366350.db2.gz IITMOADGMJQHQY-QFIPXVFZSA-N 1 0 392.543 4.046 50 0 GIAARO C[C@H](COc1ccccc1)[NH+]1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000012051995 204368333 /nfs/dbraw/zinc/36/83/33/204368333.db2.gz QHBTZNSJNKXWRA-LJQANCHMSA-N 1 0 398.522 4.402 50 0 GIAARO C[N@@H+]1CCC[C@H](COc2cccc(CN(C(=O)c3cccc(F)c3)C3CC3)c2)C1 ZINC000012040234 204368585 /nfs/dbraw/zinc/36/85/85/204368585.db2.gz RUJCWKGEXZAHBQ-IBGZPJMESA-N 1 0 396.506 4.351 50 0 GIAARO Cc1ccc(-n2cc(C[NH+]3CCC(CO)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000012075872 204370026 /nfs/dbraw/zinc/37/00/26/204370026.db2.gz BHRQFEKJMCPADU-UHFFFAOYSA-N 1 0 375.516 4.360 50 0 GIAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)C[NH2+][C@@H](C)c3ccccc3)ccc21 ZINC000012421901 204406453 /nfs/dbraw/zinc/40/64/53/204406453.db2.gz XSSCDLYTAFULIO-OXJNMPFZSA-N 1 0 394.515 4.263 50 0 GIAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000012191201 204380432 /nfs/dbraw/zinc/38/04/32/204380432.db2.gz XHEYYRSUDNPXSZ-UHFFFAOYSA-N 1 0 383.561 4.179 50 0 GIAARO COc1cccc(C[NH2+][C@@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)c1 ZINC000012190207 204381212 /nfs/dbraw/zinc/38/12/12/204381212.db2.gz UNLMMOIXDRWPDL-LJQANCHMSA-N 1 0 394.494 4.235 50 0 GIAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000012297194 204391592 /nfs/dbraw/zinc/39/15/92/204391592.db2.gz HPBYYXKYAIRHMX-KRWDZBQOSA-N 1 0 382.479 4.180 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+]([C@H](C)Cc2cccnc2)CC1 ZINC000012304408 204392998 /nfs/dbraw/zinc/39/29/98/204392998.db2.gz DHMZKLLRYASWTB-HXUWFJFHSA-N 1 0 396.531 4.127 50 0 GIAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000012597228 204429377 /nfs/dbraw/zinc/42/93/77/204429377.db2.gz OUFVZWLGDJVWHK-GOSISDBHSA-N 1 0 394.519 4.137 50 0 GIAARO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Cl)c1OC ZINC000022074399 204774110 /nfs/dbraw/zinc/77/41/10/204774110.db2.gz CVBUKWXEELPRNM-UHFFFAOYSA-N 1 0 379.884 4.097 50 0 GIAARO CC(C)[NH2+]C1(c2nnnn2-c2ccc(C(C)C)cc2)C2CC3CC(C2)CC1C3 ZINC000035170752 204983703 /nfs/dbraw/zinc/98/37/03/204983703.db2.gz MIMHJEXBKWBUDI-UHFFFAOYSA-N 1 0 379.552 4.435 50 0 GIAARO Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000034697767 204972516 /nfs/dbraw/zinc/97/25/16/204972516.db2.gz MLMYICXUXVTLLJ-JTHBVZDNSA-N 1 0 380.507 4.476 50 0 GIAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000034697520 204972544 /nfs/dbraw/zinc/97/25/44/204972544.db2.gz GLSKZCSLOVTGBU-GMAHTHKFSA-N 1 0 378.516 4.037 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccccc2F)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036095347 205005032 /nfs/dbraw/zinc/00/50/32/205005032.db2.gz KOGAMEKGHPGXQG-QFIPXVFZSA-N 1 0 379.475 4.440 50 0 GIAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000036103988 205005083 /nfs/dbraw/zinc/00/50/83/205005083.db2.gz DHSBIWMHFWWGDH-JOCHJYFZSA-N 1 0 387.495 4.149 50 0 GIAARO COc1ccc(OC[C@@H](O)C[N@H+](CCC(C)C)Cc2ccc(C)s2)cc1 ZINC000036101658 205005349 /nfs/dbraw/zinc/00/53/49/205005349.db2.gz ZPIMSWHJQGUKNP-SFHVURJKSA-N 1 0 377.550 4.353 50 0 GIAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)(C)C)c1 ZINC000036103938 205005870 /nfs/dbraw/zinc/00/58/70/205005870.db2.gz MYZPFBGCUMVELB-NRFANRHFSA-N 1 0 399.531 4.210 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036102370 205005907 /nfs/dbraw/zinc/00/59/07/205005907.db2.gz ONBBFZJNBORZRO-QHCPKHFHSA-N 1 0 379.475 4.440 50 0 GIAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103507 205006611 /nfs/dbraw/zinc/00/66/11/205006611.db2.gz VQSPZTBPJMCFLC-OAQYLSRUSA-N 1 0 385.504 4.467 50 0 GIAARO COc1ccc(OC[C@H](O)C[N@H+](CCC(C)C)Cc2ccc(F)cc2F)cc1 ZINC000036099805 205006701 /nfs/dbraw/zinc/00/67/01/205006701.db2.gz OAKYPLKPHGNKCL-LJQANCHMSA-N 1 0 393.474 4.261 50 0 GIAARO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC000036345205 205011926 /nfs/dbraw/zinc/01/19/26/205011926.db2.gz UVXWOSXTBTUCIV-QFIPXVFZSA-N 1 0 379.479 4.235 50 0 GIAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc12 ZINC000035509916 204991624 /nfs/dbraw/zinc/99/16/24/204991624.db2.gz RADKETJWYJNWSO-UHFFFAOYSA-N 1 0 396.560 4.390 50 0 GIAARO Clc1ccc(-c2cncc(C[NH+]3CCC4(CC3)OCCO4)c2)cc1Cl ZINC000037554224 205028132 /nfs/dbraw/zinc/02/81/32/205028132.db2.gz AMAHQCFARGSWSB-UHFFFAOYSA-N 1 0 379.287 4.394 50 0 GIAARO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cnc(N(C)C)s2)cc1C ZINC000039500539 205042692 /nfs/dbraw/zinc/04/26/92/205042692.db2.gz YNQPWBUKAGWZKW-LJQANCHMSA-N 1 0 381.549 4.179 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCc1c(Cl)cccc1Cl ZINC000040722367 205069993 /nfs/dbraw/zinc/06/99/93/205069993.db2.gz VHEOPFMEPSACDV-AWEZNQCLSA-N 1 0 384.303 4.442 50 0 GIAARO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000040095389 205051396 /nfs/dbraw/zinc/05/13/96/205051396.db2.gz XKIQETHUEHXEKG-OALUTQOASA-N 1 0 381.520 4.234 50 0 GIAARO CC1CC[NH+](CCCCNC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 ZINC000040108372 205052386 /nfs/dbraw/zinc/05/23/86/205052386.db2.gz LOWHWJNYYBTCAP-RMKNXTFCSA-N 1 0 384.442 4.227 50 0 GIAARO CCc1[nH]c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(C)c1C(=O)OC ZINC000040119469 205054027 /nfs/dbraw/zinc/05/40/27/205054027.db2.gz SZTXSQZOVOBPMQ-HNNXBMFYSA-N 1 0 397.519 4.299 50 0 GIAARO O=C(c1ccc(-n2cccc2)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000040150152 205058186 /nfs/dbraw/zinc/05/81/86/205058186.db2.gz SAQDVCJBIRRCIR-UHFFFAOYSA-N 1 0 385.511 4.140 50 0 GIAARO CCOc1cc(C[NH2+]CCCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000040744897 205070343 /nfs/dbraw/zinc/07/03/43/205070343.db2.gz JJLJDESPBBCHFC-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO C[N@H+](CCCNC(=O)CCc1ccc(-c2ccccc2)[nH]1)Cc1ccccc1 ZINC000040156775 205060181 /nfs/dbraw/zinc/06/01/81/205060181.db2.gz RZMFIMDWBBJWRN-UHFFFAOYSA-N 1 0 375.516 4.253 50 0 GIAARO COc1cccc(C[NH2+]CCN(C)C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040719483 205067896 /nfs/dbraw/zinc/06/78/96/205067896.db2.gz QDDNLMXYWMEODZ-UHFFFAOYSA-N 1 0 383.319 4.232 50 0 GIAARO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1c(F)cccc1Cl ZINC000040722435 205068317 /nfs/dbraw/zinc/06/83/17/205068317.db2.gz RSIXPDOKAMUQKN-HNNXBMFYSA-N 1 0 379.859 4.335 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741830 205071041 /nfs/dbraw/zinc/07/10/41/205071041.db2.gz PJTNQWHKQKUPFX-SFHVURJKSA-N 1 0 377.912 4.487 50 0 GIAARO CCOc1cc(C[NH2+]CCCO)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040743815 205071076 /nfs/dbraw/zinc/07/10/76/205071076.db2.gz CWERSSYZEDKJJS-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO CCOc1cc(C[NH2+]CCCO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743782 205071243 /nfs/dbraw/zinc/07/12/43/205071243.db2.gz WUNPVZLNDMRVPY-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040742694 205071252 /nfs/dbraw/zinc/07/12/52/205071252.db2.gz SRFXURSQAKNFFQ-UHFFFAOYSA-N 1 0 390.694 4.316 50 0 GIAARO CCC[NH2+]Cc1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000040742846 205071527 /nfs/dbraw/zinc/07/15/27/205071527.db2.gz GWQMJYKVRTWVHN-UHFFFAOYSA-N 1 0 376.884 4.174 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2F)o1)c1ccsc1 ZINC000047086940 205108276 /nfs/dbraw/zinc/10/82/76/205108276.db2.gz KCXUMADIBIAGDN-KRWDZBQOSA-N 1 0 388.464 4.092 50 0 GIAARO Cc1ccc(CCCC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000048285916 205116303 /nfs/dbraw/zinc/11/63/03/205116303.db2.gz SYFHTILYAOVNRQ-OYRHEFFESA-N 1 0 394.559 4.243 50 0 GIAARO COCc1ccccc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048325961 205120245 /nfs/dbraw/zinc/12/02/45/205120245.db2.gz YMIZHDPNFSGQBK-RTBURBONSA-N 1 0 380.532 4.241 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccsc1 ZINC000048326774 205120587 /nfs/dbraw/zinc/12/05/87/205120587.db2.gz QJXPGJHILIROAE-FQEVSTJZSA-N 1 0 384.549 4.147 50 0 GIAARO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](C)c2ccccc2)sc2c1CCCC2 ZINC000054214381 205140362 /nfs/dbraw/zinc/14/03/62/205140362.db2.gz VENTXROOLBSRPW-AWEZNQCLSA-N 1 0 386.517 4.093 50 0 GIAARO CCn1nc(C)c(C[NH2+][C@H](C)c2cnc(N(C)C3CCCCC3)nc2C)c1C ZINC000055182455 205143607 /nfs/dbraw/zinc/14/36/07/205143607.db2.gz XAOIFSIZTPDYTK-OAHLLOKOSA-N 1 0 384.572 4.238 50 0 GIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000055153081 205144195 /nfs/dbraw/zinc/14/41/95/205144195.db2.gz FUCUMPXCWYZDLY-UHFFFAOYSA-N 1 0 387.545 4.453 50 0 GIAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)cc1F ZINC000055183009 205144383 /nfs/dbraw/zinc/14/43/83/205144383.db2.gz CBVAAAFWOWRKCG-HNNXBMFYSA-N 1 0 378.492 4.098 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056503428 205151919 /nfs/dbraw/zinc/15/19/19/205151919.db2.gz GMAKFSQYJGTEGE-HXUWFJFHSA-N 1 0 399.922 4.127 50 0 GIAARO Cc1cc(C)c(NC(=O)C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c(C)c1 ZINC000057281230 205155187 /nfs/dbraw/zinc/15/51/87/205155187.db2.gz OXWVWAWXZZBHEJ-UHFFFAOYSA-N 1 0 388.895 4.155 50 0 GIAARO CC(C)COc1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000058168670 205166575 /nfs/dbraw/zinc/16/65/75/205166575.db2.gz DPJYAGVTKWHTRS-LJQANCHMSA-N 1 0 375.557 4.033 50 0 GIAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)c1 ZINC000059955614 205180163 /nfs/dbraw/zinc/18/01/63/205180163.db2.gz LWCABGZAOJAOMK-SFHVURJKSA-N 1 0 379.460 4.105 50 0 GIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)C1 ZINC000064967971 205203687 /nfs/dbraw/zinc/20/36/87/205203687.db2.gz HSORDUQXWZOUAU-GOSISDBHSA-N 1 0 391.515 4.270 50 0 GIAARO Fc1ccc(F)c(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)c1 ZINC000064761126 205194855 /nfs/dbraw/zinc/19/48/55/205194855.db2.gz SWWIPPLWFANPFM-UHFFFAOYSA-N 1 0 395.413 4.127 50 0 GIAARO CC(C)Oc1ccc(CNC(=O)C2=CC[N@H+](Cc3cccc(F)c3)CC2)cc1 ZINC000064818115 205197155 /nfs/dbraw/zinc/19/71/55/205197155.db2.gz YPGGEOMHHUGLEN-UHFFFAOYSA-N 1 0 382.479 4.061 50 0 GIAARO c1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4ccnc(-c5ccncc5)c4)C3)n2)cc1 ZINC000065375237 205232797 /nfs/dbraw/zinc/23/27/97/205232797.db2.gz LUVXJRHJVGLXCF-HXUWFJFHSA-N 1 0 383.455 4.183 50 0 GIAARO CC[NH+]1CCC(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067604125 205250263 /nfs/dbraw/zinc/25/02/63/205250263.db2.gz XBYQOMPEMXCSNT-UHFFFAOYSA-N 1 0 386.923 4.391 50 0 GIAARO CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000067612439 205251273 /nfs/dbraw/zinc/25/12/73/205251273.db2.gz RTGVHEZAENGGBG-UHFFFAOYSA-N 1 0 396.516 4.056 50 0 GIAARO C[N@@H+]1CCC[C@@H]1CCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655017 205252259 /nfs/dbraw/zinc/25/22/59/205252259.db2.gz INPMINPLJZJZQQ-HXUWFJFHSA-N 1 0 386.923 4.391 50 0 GIAARO Fc1cccc(C[N@@H+]2CCCN(c3nncc(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000067947935 205269035 /nfs/dbraw/zinc/26/90/35/205269035.db2.gz CQPOYWZCMSQMQI-UHFFFAOYSA-N 1 0 397.885 4.043 50 0 GIAARO CC(C)Nc1ncc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cn1 ZINC000067974555 205270539 /nfs/dbraw/zinc/27/05/39/205270539.db2.gz UPLKSHXUVGGKSC-UHFFFAOYSA-N 1 0 394.498 4.206 50 0 GIAARO Cc1cc(C)c2[nH]c(=O)c(-c3c(-c4ccccc4)ncn3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000067974139 205270549 /nfs/dbraw/zinc/27/05/49/205270549.db2.gz QIXDXPJOJYNGAG-LJQANCHMSA-N 1 0 384.483 4.210 50 0 GIAARO C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000071375388 205282675 /nfs/dbraw/zinc/28/26/75/205282675.db2.gz LVJQRJOPJBUQCJ-LJQANCHMSA-N 1 0 378.516 4.495 50 0 GIAARO COc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc1 ZINC000071758947 205293086 /nfs/dbraw/zinc/29/30/86/205293086.db2.gz JZCQEEHQIVWVLJ-JOCHJYFZSA-N 1 0 384.495 4.093 50 0 GIAARO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000071817053 205299279 /nfs/dbraw/zinc/29/92/79/205299279.db2.gz SGDYUIANSBZHNV-SFHVURJKSA-N 1 0 396.922 4.427 50 0 GIAARO CCN(C(=O)Nc1nnc(C2CC2)s1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314421 205324174 /nfs/dbraw/zinc/32/41/74/205324174.db2.gz LTADSNRBKKRSIL-WMLDXEAASA-N 1 0 385.537 4.105 50 0 GIAARO Cc1cccc2c(CN3CCOC[C@@H](C[NH+](C)C)C3)c(-c3ccccc3)[nH]c21 ZINC000072148769 205310592 /nfs/dbraw/zinc/31/05/92/205310592.db2.gz SMFDXQWTNREWLM-IBGZPJMESA-N 1 0 377.532 4.153 50 0 GIAARO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000072281869 205320007 /nfs/dbraw/zinc/32/00/07/205320007.db2.gz OWAJWRQPIHJRCL-KRWDZBQOSA-N 1 0 393.531 4.233 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCCCC1)Nc1nnc(C2CC2)s1 ZINC000072281499 205320595 /nfs/dbraw/zinc/32/05/95/205320595.db2.gz AJUDSWNCJYILFT-UHFFFAOYSA-N 1 0 385.537 4.113 50 0 GIAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000072305263 205321945 /nfs/dbraw/zinc/32/19/45/205321945.db2.gz HSJTYKXMCBXAAS-HUUCEWRRSA-N 1 0 385.371 4.302 50 0 GIAARO CN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000072435227 205351772 /nfs/dbraw/zinc/35/17/72/205351772.db2.gz LGRCBRYWLMBKCS-FQEVSTJZSA-N 1 0 376.504 4.015 50 0 GIAARO CCC[C@@H](C)N1CC2(CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)OC1=O ZINC000072473453 205353863 /nfs/dbraw/zinc/35/38/63/205353863.db2.gz ULPMGIJIAPYUOK-QGZVFWFLSA-N 1 0 383.492 4.317 50 0 GIAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2c1 ZINC000072463864 205354431 /nfs/dbraw/zinc/35/44/31/205354431.db2.gz VJUCCCFWFQYZHX-KRWDZBQOSA-N 1 0 377.463 4.047 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CC[C@@H]([NH+](C)C)C2)c(C)s1 ZINC000072479719 205354725 /nfs/dbraw/zinc/35/47/25/205354725.db2.gz XSGZHIRPLJXAJV-GOSISDBHSA-N 1 0 398.551 4.493 50 0 GIAARO CC(C)(O)CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000072480079 205354884 /nfs/dbraw/zinc/35/48/84/205354884.db2.gz KAHZSXGKJIDMIR-DEOSSOPVSA-N 1 0 379.500 4.000 50 0 GIAARO Cc1scc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c1-c1ccccc1 ZINC000077525088 205365761 /nfs/dbraw/zinc/36/57/61/205365761.db2.gz YGNDJYOTJXWAIX-UHFFFAOYSA-N 1 0 377.513 4.003 50 0 GIAARO Cc1nc(C(F)(F)F)ccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000084028731 205391747 /nfs/dbraw/zinc/39/17/47/205391747.db2.gz KBVLBNDGYROKGC-UHFFFAOYSA-N 1 0 383.458 4.327 50 0 GIAARO CC[C@@H]([NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1)c1cccnc1 ZINC000096153157 205536949 /nfs/dbraw/zinc/53/69/49/205536949.db2.gz WXOWDLZSXPSZJK-LJQANCHMSA-N 1 0 379.533 4.310 50 0 GIAARO COc1cccc([C@H](CNC(=O)c2ccc3c(c2)CCCC3)[NH+]2CCCC2)c1 ZINC000027341587 206012073 /nfs/dbraw/zinc/01/20/73/206012073.db2.gz DXMCUFJDTLNULJ-QHCPKHFHSA-N 1 0 378.516 4.141 50 0 GIAARO C[C@H]([NH2+]CCCN(Cc1ccccc1)Cc1ccccc1)C(C)(C)n1cncn1 ZINC000225409360 206045832 /nfs/dbraw/zinc/04/58/32/206045832.db2.gz QARTVKVHKBMBLR-NRFANRHFSA-N 1 0 391.563 4.084 50 0 GIAARO COc1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)c(OC)c1OC ZINC000028925675 206055612 /nfs/dbraw/zinc/05/56/12/206055612.db2.gz WYZIKAWCNGEKCN-GFCCVEGCSA-N 1 0 380.282 4.326 50 0 GIAARO O[C@]1(c2ccccc2)CCC[N@H+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000225674676 206065867 /nfs/dbraw/zinc/06/58/67/206065867.db2.gz AVMATHWIROJUON-HSZRJFAPSA-N 1 0 377.488 4.043 50 0 GIAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](C[C@@H](O)c1ccccc1)CC2 ZINC000229651552 206107299 /nfs/dbraw/zinc/10/72/99/206107299.db2.gz FJFFCYJYGDSGJR-XXBNENTESA-N 1 0 395.524 4.446 50 0 GIAARO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000032759020 206094769 /nfs/dbraw/zinc/09/47/69/206094769.db2.gz PAVHRJCDVRXTBY-DNQXCXABSA-N 1 0 392.543 4.459 50 0 GIAARO Cc1ccccc1-n1ncc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1C(C)C ZINC000240321612 206126354 /nfs/dbraw/zinc/12/63/54/206126354.db2.gz FARIISIWEBTXPF-UHFFFAOYSA-N 1 0 383.540 4.298 50 0 GIAARO Fc1ccc(Cn2cc(C[NH2+]CCOc3ccccn3)c3ccccc32)cc1 ZINC000247534741 206134090 /nfs/dbraw/zinc/13/40/90/206134090.db2.gz QBTUDAGNLXESES-UHFFFAOYSA-N 1 0 375.447 4.392 50 0 GIAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)NC3CCCCC3)C2)nc2ccccc21 ZINC000248162519 206135136 /nfs/dbraw/zinc/13/51/36/206135136.db2.gz MGCATDLDXVVZSO-GOSISDBHSA-N 1 0 382.552 4.278 50 0 GIAARO Cc1ccc(Cn2nc(C[NH2+]C[C@H](O)c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000248118216 206135592 /nfs/dbraw/zinc/13/55/92/206135592.db2.gz UEIBIUGXXIPNQV-DEOSSOPVSA-N 1 0 398.510 4.125 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cc3)C2)nc2ccccc21 ZINC000247991753 206135975 /nfs/dbraw/zinc/13/59/75/206135975.db2.gz NIZSGBMAUZWXHF-SFHVURJKSA-N 1 0 376.504 4.215 50 0 GIAARO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000253393146 206146247 /nfs/dbraw/zinc/14/62/47/206146247.db2.gz AFVNDNOBNVMNSE-GOUWZUTHSA-N 1 0 398.591 4.464 50 0 GIAARO O=C(NCc1cc(F)c(F)c(F)c1F)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299765805 206186295 /nfs/dbraw/zinc/18/62/95/206186295.db2.gz BNTPKVXGSAOKLY-UAGQMJEPSA-N 1 0 392.396 4.085 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccc(N2CCCC2)cc1 ZINC000299790477 206191202 /nfs/dbraw/zinc/19/12/02/206191202.db2.gz BGUPBUOMJMYPIO-QHCPKHFHSA-N 1 0 377.532 4.244 50 0 GIAARO Cc1nc(C)c(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)s1 ZINC000299793841 206191828 /nfs/dbraw/zinc/19/18/28/206191828.db2.gz IVMFRTLCGFCPPI-KSZLIROESA-N 1 0 380.517 4.427 50 0 GIAARO CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)C1CC[NH2+]CC1 ZINC000125366989 206208804 /nfs/dbraw/zinc/20/88/04/206208804.db2.gz RZSZMDBNHDDAKX-UHFFFAOYSA-N 1 0 380.275 4.005 50 0 GIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214150 221098174 /nfs/dbraw/zinc/09/81/74/221098174.db2.gz MOVIVHCQBGNMER-OAQYLSRUSA-N 1 0 377.488 4.138 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCc3ccccc3)CC2)s1 ZINC000012098979 221150352 /nfs/dbraw/zinc/15/03/52/221150352.db2.gz XNSJMUTUYCHNTF-OAQYLSRUSA-N 1 0 382.573 4.408 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCCc3ccccc3)CC2)s1 ZINC000012098980 221151230 /nfs/dbraw/zinc/15/12/30/221151230.db2.gz XNSJMUTUYCHNTF-NRFANRHFSA-N 1 0 382.573 4.408 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cn2cnc3ccccc32)cc1)c1ccccc1 ZINC000012553707 221206094 /nfs/dbraw/zinc/20/60/94/221206094.db2.gz MXCLIXUFXLODMC-XMMPIXPASA-N 1 0 398.510 4.117 50 0 GIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1Cl ZINC000012787808 221231096 /nfs/dbraw/zinc/23/10/96/221231096.db2.gz JMPMBHHVCGJAKF-OAHLLOKOSA-N 1 0 393.712 4.107 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2)CC1 ZINC000007986912 136195492 /nfs/dbraw/zinc/19/54/92/136195492.db2.gz QNXKYHIJIMBHFB-UHFFFAOYSA-N 1 0 379.435 4.090 50 0 GIAARO CC(C)C[C@@H]([NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067880991 222165759 /nfs/dbraw/zinc/16/57/59/222165759.db2.gz CDTLQGZRBMYHFD-OAQYLSRUSA-N 1 0 388.515 4.002 50 0 GIAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCC[NH+]3CCCCC3)c2c1 ZINC000021934397 518190139 /nfs/dbraw/zinc/19/01/39/518190139.db2.gz HYGYXZRKMSBBBC-UHFFFAOYSA-N 1 0 388.515 4.211 50 0 GIAARO COc1ccc(/C=C/C[NH+]2CCC(CO)(Cc3ccc(OC)cc3)CC2)cc1 ZINC000012612477 523404801 /nfs/dbraw/zinc/40/48/01/523404801.db2.gz YCCOOWSCXOTBFE-ONEGZZNKSA-N 1 0 381.516 4.034 50 0 GIAARO Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)c12 ZINC000156189077 526677636 /nfs/dbraw/zinc/67/76/36/526677636.db2.gz DKDQWMLLXNUNTD-WFASDCNBSA-N 1 0 398.894 4.051 50 0 GIAARO CCC(=O)c1ccc(-c2ccc(C(=O)N3CCC4(C3)CC[NH2+]CC4)cc2)cc1 ZINC000426656852 528452127 /nfs/dbraw/zinc/45/21/27/528452127.db2.gz CWSYXQPTAGHHBH-UHFFFAOYSA-N 1 0 376.500 4.162 50 0 GIAARO CCOC(=O)CCC[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000241644401 528717500 /nfs/dbraw/zinc/71/75/00/528717500.db2.gz PQKXOSUMEAPJEJ-ZRCAFCQKSA-N 1 0 382.495 4.200 50 0 GIAARO Cc1cccc(N2CC[N@@H+](Cc3cc(=O)oc4cc(C)cc(C)c34)C[C@@H]2C)c1 ZINC000012462803 560212232 /nfs/dbraw/zinc/21/22/32/560212232.db2.gz YFUZCABQQDJMCB-IBGZPJMESA-N 1 0 376.500 4.429 50 0 biogenic,in-vitro GIAARO CCc1c(C)nn(C)c1NC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000096132306 570211413 /nfs/dbraw/zinc/21/14/13/570211413.db2.gz ZXHNRZRLAZNHIO-HXUWFJFHSA-N 1 0 383.540 4.112 50 0 GIAARO COc1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)c(OC)c1 ZINC000019781861 570218706 /nfs/dbraw/zinc/21/87/06/570218706.db2.gz QFEOPZFRNWLYER-UHFFFAOYSA-N 1 0 376.500 4.175 50 0 GIAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000019788763 570219012 /nfs/dbraw/zinc/21/90/12/570219012.db2.gz PAKSJPSOPDHVFZ-DEOSSOPVSA-N 1 0 397.453 4.260 50 0 GIAARO O=C(Nc1ccc2c(c1)OCO2)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019800401 570220593 /nfs/dbraw/zinc/22/05/93/570220593.db2.gz NSAZPKFRITXKLD-UHFFFAOYSA-N 1 0 386.451 4.226 50 0 GIAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(N3CCc4ccccc43)s2)C1 ZINC000015732279 570223363 /nfs/dbraw/zinc/22/33/63/570223363.db2.gz WQTFUNSXKDMFPS-KRWDZBQOSA-N 1 0 383.561 4.294 50 0 GIAARO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Br)c1OC ZINC000019922756 570229508 /nfs/dbraw/zinc/22/95/08/570229508.db2.gz QBTJMUWELQKVON-UHFFFAOYSA-N 1 0 382.273 4.328 50 0 GIAARO c1[nH]c2ccccc2c1CC[NH2+]C1(c2nnnn2C2CCCCC2)CCCC1 ZINC000006062610 570232476 /nfs/dbraw/zinc/23/24/76/570232476.db2.gz FITDOJFOJUKKOO-UHFFFAOYSA-N 1 0 378.524 4.261 50 0 GIAARO O=C(NCCc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097334185 570242196 /nfs/dbraw/zinc/24/21/96/570242196.db2.gz UVZQKTAIIQIDBL-UHFFFAOYSA-N 1 0 376.422 4.274 50 0 GIAARO COc1ccccc1N1CC[NH+](C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000001155013 570249836 /nfs/dbraw/zinc/24/98/36/570249836.db2.gz PRFDASTXGZOLPD-UHFFFAOYSA-N 1 0 399.966 4.135 50 0 GIAARO COc1ccccc1Oc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000097775537 570255244 /nfs/dbraw/zinc/25/52/44/570255244.db2.gz LUKIUYKVDGFALU-QFIPXVFZSA-N 1 0 381.476 4.095 50 0 GIAARO COc1ccc(N[C@@H]2CCC[N@H+](Cc3cc(OC)c(O)cc3Cl)C2)cc1 ZINC000020855429 570282258 /nfs/dbraw/zinc/28/22/58/570282258.db2.gz SDYZWYMNLQJXRY-MRXNPFEDSA-N 1 0 376.884 4.139 50 0 GIAARO O=C(Nc1cc[nH]n1)c1ccc([C@@H]2CCC[N@@H+]2C2Cc3ccccc3C2)s1 ZINC000020858642 570282339 /nfs/dbraw/zinc/28/23/39/570282339.db2.gz CIZUKYSPKNHJRE-KRWDZBQOSA-N 1 0 378.501 4.028 50 0 GIAARO O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000002317150 570282528 /nfs/dbraw/zinc/28/25/28/570282528.db2.gz NWNMBTJQRYWWPQ-MRXNPFEDSA-N 1 0 387.321 4.404 50 0 GIAARO O=C(c1nc2sccn2c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1)N1CCCC1 ZINC000020915070 570284409 /nfs/dbraw/zinc/28/44/09/570284409.db2.gz LEWSJZVQZZGTJO-GOSISDBHSA-N 1 0 394.544 4.011 50 0 GIAARO CCCOc1c(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)cc1OC ZINC000020934293 570285377 /nfs/dbraw/zinc/28/53/77/570285377.db2.gz JERDEGCYOJQLTJ-KRWDZBQOSA-N 1 0 394.309 4.070 50 0 GIAARO CC[NH+](CC)[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000002500444 570288905 /nfs/dbraw/zinc/28/89/05/570288905.db2.gz NPKQMNSCEOXHMN-FGZHOGPDSA-N 1 0 380.513 4.256 50 0 GIAARO CC(C)c1nccc(CN2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000215535521 570289781 /nfs/dbraw/zinc/28/97/81/570289781.db2.gz IJKHPTSRNAUSQK-XMMPIXPASA-N 1 0 378.564 4.478 50 0 GIAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc2c(c1)OCC(=O)N2)C1CCCCC1 ZINC000012917513 570293690 /nfs/dbraw/zinc/29/36/90/570293690.db2.gz DGCQPGYDZLQNFC-UHFFFAOYSA-N 1 0 393.487 4.034 50 0 GIAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075729 570305198 /nfs/dbraw/zinc/30/51/98/570305198.db2.gz ZKWPCNMFPKNJKK-UHFFFAOYSA-N 1 0 383.319 4.232 50 0 GIAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000022075266 570305293 /nfs/dbraw/zinc/30/52/93/570305293.db2.gz MAVDRGTUKJIOED-NRFANRHFSA-N 1 0 381.447 4.237 50 0 GIAARO Cc1ncc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)n1-c1ccccc1 ZINC000072312308 570306554 /nfs/dbraw/zinc/30/65/54/570306554.db2.gz LNKWZAPKHZNFBE-QGZVFWFLSA-N 1 0 382.458 4.075 50 0 GIAARO COc1ccc(CN(C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012946300 570316830 /nfs/dbraw/zinc/31/68/30/570316830.db2.gz UUDFVAATMRGEIR-CYBMUJFWSA-N 1 0 395.484 4.446 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cccnc1Sc1ccccc1)c1ccccc1 ZINC000022505682 570318621 /nfs/dbraw/zinc/31/86/21/570318621.db2.gz ADQIXGOJDUMMDV-HXUWFJFHSA-N 1 0 377.513 4.266 50 0 GIAARO CC[NH+](CC)CCN1Cc2c3c(sc2N(C(=O)c2ccccc2)C1)CCCC3 ZINC000022804553 570329085 /nfs/dbraw/zinc/32/90/85/570329085.db2.gz GXRUSKBDYKAYPF-UHFFFAOYSA-N 1 0 397.588 4.389 50 0 GIAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000022817081 570329921 /nfs/dbraw/zinc/32/99/21/570329921.db2.gz KBXCPOPJIWUPLM-CYBMUJFWSA-N 1 0 386.970 4.283 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000023742454 570330622 /nfs/dbraw/zinc/33/06/22/570330622.db2.gz BKPHXANXBKHMNV-XMMPIXPASA-N 1 0 396.490 4.465 50 0 GIAARO CCOc1cc(C[NH2+]CCCOc2ccccn2)cc(Cl)c1OC(C)C ZINC000113396516 570331328 /nfs/dbraw/zinc/33/13/28/570331328.db2.gz HDKVEJYPRILLIY-UHFFFAOYSA-N 1 0 378.900 4.480 50 0 GIAARO COc1ccccc1Oc1nc(N2CCCCC2)nc2c1C[N@H+](CC(C)C)CC2 ZINC000034755602 570332753 /nfs/dbraw/zinc/33/27/53/570332753.db2.gz UNQUNFNWTMXRBL-UHFFFAOYSA-N 1 0 396.535 4.282 50 0 GIAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCCC[NH+](C)C ZINC000023873046 570333871 /nfs/dbraw/zinc/33/38/71/570333871.db2.gz WJHHXFLGMDNHAN-UHFFFAOYSA-N 1 0 382.483 4.153 50 0 GIAARO COc1ccc(C[N@@H+]2CCCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000023007519 570340205 /nfs/dbraw/zinc/34/02/05/570340205.db2.gz XNUKRRWQZTWJQS-UHFFFAOYSA-N 1 0 377.488 4.058 50 0 GIAARO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023074986 570342754 /nfs/dbraw/zinc/34/27/54/570342754.db2.gz BTHZOKWZOILXDE-OAQYLSRUSA-N 1 0 389.499 4.228 50 0 GIAARO CCn1cnnc1CC[NH2+]C1CCN(c2ccc(-c3ccc(C)cc3)cc2)CC1 ZINC000023429075 570362041 /nfs/dbraw/zinc/36/20/41/570362041.db2.gz KYJKCNAJWXFLKZ-UHFFFAOYSA-N 1 0 389.547 4.075 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC000004302784 570366699 /nfs/dbraw/zinc/36/66/99/570366699.db2.gz JACFQTMRYXXVCX-UHFFFAOYSA-N 1 0 397.906 4.222 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Br)c1cc2ccccc2o1 ZINC000575620211 570369063 /nfs/dbraw/zinc/36/90/63/570369063.db2.gz IYEPYXQZGVUCRC-MRXNPFEDSA-N 1 0 387.277 4.228 50 0 GIAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(F)cc1F ZINC000004921967 570369739 /nfs/dbraw/zinc/36/97/39/570369739.db2.gz IGOYBRFBSIMVIF-UHFFFAOYSA-N 1 0 395.409 4.142 50 0 GIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(OC)c(OC)c3OC)n2C)cc1 ZINC000000819172 570372554 /nfs/dbraw/zinc/37/25/54/570372554.db2.gz RBEBQIWXWZOCHM-UHFFFAOYSA-N 1 0 397.475 4.124 50 0 GIAARO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cc1F ZINC000024102441 570378954 /nfs/dbraw/zinc/37/89/54/570378954.db2.gz UIQJNNWYSSZNKL-SMDDNHRTSA-N 1 0 388.266 4.232 50 0 GIAARO CCc1ccc([C@@H](CNC(=O)/C=C/c2c(C)nc3sc(C)cn23)[NH+](C)C)cc1 ZINC000032734088 570393272 /nfs/dbraw/zinc/39/32/72/570393272.db2.gz PZDFPVAOOBDYHN-YVNCXZRQSA-N 1 0 396.560 4.007 50 0 GIAARO O[C@]1(c2cccs2)CN2CCCCCC2=[N+]1c1cccc(C(F)(F)F)c1 ZINC000001744552 570419627 /nfs/dbraw/zinc/41/96/27/570419627.db2.gz PAWNFBJWJJTVRK-SFHVURJKSA-N 1 0 381.443 4.417 50 0 GIAARO CC(C)(CNC(=O)c1ccc(Br)s1)[N@@H+]1CCc2ccccc2C1 ZINC000025897738 570420539 /nfs/dbraw/zinc/42/05/39/570420539.db2.gz HMJBNGJVDLAKBX-UHFFFAOYSA-N 1 0 393.350 4.077 50 0 GIAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000026310973 570424554 /nfs/dbraw/zinc/42/45/54/570424554.db2.gz UMPQGCMJQFERCG-HNNXBMFYSA-N 1 0 380.941 4.221 50 0 GIAARO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239274623 570428804 /nfs/dbraw/zinc/42/88/04/570428804.db2.gz ALPVPVGQMKFUTN-KXBFYZLASA-N 1 0 391.471 4.395 50 0 GIAARO CC(C)Cn1ccc2cc(NC(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)ccc21 ZINC000242338967 570432463 /nfs/dbraw/zinc/43/24/63/570432463.db2.gz ZDVRLEZRGXLOBD-VCOUNFBDSA-N 1 0 380.536 4.245 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000248040774 570436262 /nfs/dbraw/zinc/43/62/62/570436262.db2.gz VPSSYFMTEWWHDP-GBESFXJTSA-N 1 0 376.422 4.228 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584443 570436772 /nfs/dbraw/zinc/43/67/72/570436772.db2.gz CLSUSAIESXQVJD-QFIPXVFZSA-N 1 0 384.495 4.246 50 0 GIAARO COc1cccc([C@@H](CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)[NH+](C)C)c1 ZINC000027594855 570437367 /nfs/dbraw/zinc/43/73/67/570437367.db2.gz VZWNTNPELMTBRY-HSZRJFAPSA-N 1 0 391.515 4.088 50 0 GIAARO Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1C ZINC000027741510 570440755 /nfs/dbraw/zinc/44/07/55/570440755.db2.gz UFJWJDQBGKHAFY-IBGZPJMESA-N 1 0 386.561 4.477 50 0 GIAARO COc1ccc(CC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027741638 570441294 /nfs/dbraw/zinc/44/12/94/570441294.db2.gz KPQNSBOPTYOMTR-HSZRJFAPSA-N 1 0 380.532 4.280 50 0 GIAARO O=c1cc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)nc2sccn21 ZINC000134173957 570469250 /nfs/dbraw/zinc/46/92/50/570469250.db2.gz RPWLNOAALSRZIR-HOCLYGCPSA-N 1 0 393.434 4.201 50 0 GIAARO Brc1ccc(-c2nnc3sc(C[NH+]4CCCCC4)cn32)cc1 ZINC000002467054 570500791 /nfs/dbraw/zinc/50/07/91/570500791.db2.gz TZLFUUWZKCCBIK-UHFFFAOYSA-N 1 0 377.311 4.206 50 0 GIAARO CC(C)c1ccc(OCn2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2)cc1 ZINC000002806246 570517827 /nfs/dbraw/zinc/51/78/27/570517827.db2.gz NCHUZDIGQQPLKS-UHFFFAOYSA-N 1 0 398.551 4.082 50 0 GIAARO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)cc2)ccc1OCC(N)=O ZINC000033087222 570519615 /nfs/dbraw/zinc/51/96/15/570519615.db2.gz PKANNZXBRFZQLD-OAQYLSRUSA-N 1 0 396.531 4.375 50 0 GIAARO COc1cccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 ZINC000022907780 570563933 /nfs/dbraw/zinc/56/39/33/570563933.db2.gz BQEHBUXVVNEIKU-OAQYLSRUSA-N 1 0 392.524 4.286 50 0 GIAARO O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1F ZINC000022907747 570564251 /nfs/dbraw/zinc/56/42/51/570564251.db2.gz RQVZROCCDDLBOL-FQEVSTJZSA-N 1 0 380.488 4.417 50 0 GIAARO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C2CCCCC2)CC1 ZINC000019371773 570596903 /nfs/dbraw/zinc/59/69/03/570596903.db2.gz WKPISNNUENYDRL-OAQYLSRUSA-N 1 0 391.559 4.106 50 0 GIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000169681290 570601433 /nfs/dbraw/zinc/60/14/33/570601433.db2.gz SDEDZPKGPMPZOG-GOTSBHOMSA-N 1 0 396.531 4.078 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1 ZINC000012057440 570602885 /nfs/dbraw/zinc/60/28/85/570602885.db2.gz RMELLSMUASWDQI-UHFFFAOYSA-N 1 0 378.516 4.274 50 0 GIAARO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000012379747 570649519 /nfs/dbraw/zinc/64/95/19/570649519.db2.gz GMTMEFATOQCDLP-UHFFFAOYSA-N 1 0 385.895 4.149 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](OC)C2)c(F)c1 ZINC000012387611 570652224 /nfs/dbraw/zinc/65/22/24/570652224.db2.gz NFXGOGKUZMNFRP-HXUWFJFHSA-N 1 0 395.478 4.298 50 0 GIAARO Cc1ccccc1CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012429486 570658164 /nfs/dbraw/zinc/65/81/64/570658164.db2.gz IAFCBLYBABTMSQ-OAQYLSRUSA-N 1 0 396.550 4.480 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)c2cc3ccccc3oc2=O)c2cccs2)CC1 ZINC000033028234 570666354 /nfs/dbraw/zinc/66/63/54/570666354.db2.gz DDLPOAYEVVEITE-SFHVURJKSA-N 1 0 396.512 4.058 50 0 GIAARO CSCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000012470246 570672060 /nfs/dbraw/zinc/67/20/60/570672060.db2.gz WTRXZRBFLYHIMG-MRXNPFEDSA-N 1 0 375.563 4.214 50 0 GIAARO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)ccc1O ZINC000012580790 570683801 /nfs/dbraw/zinc/68/38/01/570683801.db2.gz QBZVSKIEKHRAGW-KRWDZBQOSA-N 1 0 387.451 4.034 50 0 GIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C)oc1C ZINC000012589292 570686475 /nfs/dbraw/zinc/68/64/75/570686475.db2.gz HLEOWZVZGQPICN-HXUWFJFHSA-N 1 0 386.511 4.452 50 0 GIAARO Cc1cccc(-n2cc(C[N@@H+]3CCC[C@H](CO)C3)c(-c3cccc(F)c3)n2)c1 ZINC000012596233 570689296 /nfs/dbraw/zinc/68/92/96/570689296.db2.gz IRRCBSORUNHLCI-SFHVURJKSA-N 1 0 379.479 4.191 50 0 GIAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3nc4ccccc4s3)nc21 ZINC000004359219 570700144 /nfs/dbraw/zinc/70/01/44/570700144.db2.gz GYRJWHCTWYCKHK-UHFFFAOYSA-N 1 0 396.541 4.423 50 0 GIAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1C ZINC000012835749 570723371 /nfs/dbraw/zinc/72/33/71/570723371.db2.gz MEARVJWBQVXWIO-HXUWFJFHSA-N 1 0 394.515 4.365 50 0 GIAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCC2)n3C(C)C)cc1 ZINC000086048538 570723810 /nfs/dbraw/zinc/72/38/10/570723810.db2.gz BMOULOLGBHGZAH-UHFFFAOYSA-N 1 0 392.503 4.474 50 0 GIAARO Cc1ccc([C@H](CNC(=O)/C=C/c2ccccc2OC(F)F)[NH+]2CCCC2)o1 ZINC000058310286 570726475 /nfs/dbraw/zinc/72/64/75/570726475.db2.gz LSWYDHJMYTYHBB-KAMXEHQASA-N 1 0 390.430 4.156 50 0 GIAARO COc1ccc(C)cc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012995065 570739511 /nfs/dbraw/zinc/73/95/11/570739511.db2.gz MIBJBZCBCKZMPM-UHFFFAOYSA-N 1 0 396.487 4.116 50 0 GIAARO CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013023621 570742172 /nfs/dbraw/zinc/74/21/72/570742172.db2.gz ZPXUKSYGGFGBLK-UHFFFAOYSA-N 1 0 386.923 4.278 50 0 GIAARO COc1ccccc1OCCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013730324 570782808 /nfs/dbraw/zinc/78/28/08/570782808.db2.gz VVGRBCOSRQWFSB-UHFFFAOYSA-N 1 0 397.544 4.286 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2cc(F)ccc2s1 ZINC000032738202 570789494 /nfs/dbraw/zinc/78/94/94/570789494.db2.gz YYTBPHAIANCVFK-UHFFFAOYSA-N 1 0 383.492 4.353 50 0 GIAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)c3c[nH]c4ccccc34)c(C)c2)CC1 ZINC000032772047 570805352 /nfs/dbraw/zinc/80/53/52/570805352.db2.gz GEKINJVQOYACLX-GOSISDBHSA-N 1 0 390.531 4.302 50 0 GIAARO COc1cc(CNC2CC[NH+](C(C)C)CC2)ccc1OCc1csc(C)n1 ZINC000014112006 570823613 /nfs/dbraw/zinc/82/36/13/570823613.db2.gz OLGYCPQKABKRTD-UHFFFAOYSA-N 1 0 389.565 4.002 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1cccs1 ZINC000014196609 570828671 /nfs/dbraw/zinc/82/86/71/570828671.db2.gz JHKQZCGKVOCKSF-MRXNPFEDSA-N 1 0 389.521 4.128 50 0 GIAARO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)Cc3coc4cc(C)ccc34)C1)CCCC2 ZINC000170602025 570860316 /nfs/dbraw/zinc/86/03/16/570860316.db2.gz HDSDVAVRNXTSRO-GOSISDBHSA-N 1 0 377.488 4.141 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc1 ZINC000014955818 570866014 /nfs/dbraw/zinc/86/60/14/570866014.db2.gz HMCMQLVRAULZNP-GOSISDBHSA-N 1 0 383.513 4.290 50 0 GIAARO Cc1nc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)s1 ZINC000014963514 570866614 /nfs/dbraw/zinc/86/66/14/570866614.db2.gz LAPUZDPNZVNFAD-HSZRJFAPSA-N 1 0 397.588 4.321 50 0 GIAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000014961605 570866748 /nfs/dbraw/zinc/86/67/48/570866748.db2.gz MBXWHVBZEXRQPK-XFYVYHTKSA-N 1 0 386.499 4.236 50 0 GIAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(C)n1 ZINC000014971395 570867982 /nfs/dbraw/zinc/86/79/82/570867982.db2.gz NOOZMVNIXPXZMU-MRXNPFEDSA-N 1 0 379.426 4.325 50 0 GIAARO CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(OC)c(F)c1 ZINC000032870845 570869079 /nfs/dbraw/zinc/86/90/79/570869079.db2.gz GTURZXWLLDWTQW-UHFFFAOYSA-N 1 0 382.838 4.478 50 0 GIAARO COc1cccc(CC2(CO)CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC000014978133 570869343 /nfs/dbraw/zinc/86/93/43/570869343.db2.gz OKMZAFAJURIMAF-UHFFFAOYSA-N 1 0 382.529 4.122 50 0 GIAARO C[C@@H]([NH2+]C1CCN(c2ccc(C(=O)N(C)C)cc2)CC1)c1ccc(Cl)cc1 ZINC000014988598 570870239 /nfs/dbraw/zinc/87/02/39/570870239.db2.gz UERVVYQDSSTZCY-MRXNPFEDSA-N 1 0 385.939 4.361 50 0 GIAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](CCCn4cccn4)C3)ccc2c1 ZINC000015062616 570874531 /nfs/dbraw/zinc/87/45/31/570874531.db2.gz GUZAPRGQOYWSGZ-OAQYLSRUSA-N 1 0 377.488 4.030 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000015068364 570876103 /nfs/dbraw/zinc/87/61/03/570876103.db2.gz NJXGLRHPXSRGTK-KRWDZBQOSA-N 1 0 398.478 4.243 50 0 GIAARO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)NCc1ccccc1Cl ZINC000015066475 570876124 /nfs/dbraw/zinc/87/61/24/570876124.db2.gz HUFQYVJHEMGUCG-QGZVFWFLSA-N 1 0 386.923 4.354 50 0 GIAARO COc1ccc(C[NH2+]Cc2cc3ccc(F)cc3n(CC(C)C)c2=O)c(OC)c1 ZINC000015067537 570876191 /nfs/dbraw/zinc/87/61/91/570876191.db2.gz QQRBTYYMQRTDBE-UHFFFAOYSA-N 1 0 398.478 4.104 50 0 GIAARO CSc1ccc(C[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)cc1 ZINC000015070719 570876971 /nfs/dbraw/zinc/87/69/71/570876971.db2.gz UAOVBPAXKMFPHH-UHFFFAOYSA-N 1 0 383.561 4.112 50 0 GIAARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000015071640 570877219 /nfs/dbraw/zinc/87/72/19/570877219.db2.gz UTXOYQMARXARTH-LJQANCHMSA-N 1 0 378.520 4.437 50 0 GIAARO CCc1ccc([C@@H](Nc2ncnc3c2c(Br)nn3C)C(C)C)cc1 ZINC000170620861 570878598 /nfs/dbraw/zinc/87/85/98/570878598.db2.gz WOXUHMKXCQLHPT-HNNXBMFYSA-N 1 0 388.313 4.497 50 0 GIAARO COc1ccc(OCc2nc(CNc3ncccc3OC(F)F)cs2)cc1 ZINC000097143602 570899383 /nfs/dbraw/zinc/89/93/83/570899383.db2.gz CXEGZBMWDNOBCP-UHFFFAOYSA-N 1 0 393.415 4.339 50 0 GIAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc2ncccc21 ZINC000032903435 570899893 /nfs/dbraw/zinc/89/98/93/570899893.db2.gz PYKIRHNXIIVZSX-NRFANRHFSA-N 1 0 379.891 4.455 50 0 GIAARO Nc1cc[nH+]c2c1cccc2-c1cccc(C(=O)NCCCC[C@@H]2CCCO2)c1 ZINC000534587891 570905371 /nfs/dbraw/zinc/90/53/71/570905371.db2.gz PBYNYMHFGCIIRV-LJQANCHMSA-N 1 0 389.499 4.393 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCC(C)CC2)o1 ZINC000015860525 570907146 /nfs/dbraw/zinc/90/71/46/570907146.db2.gz XSBKXPNNSMSIIK-FQEVSTJZSA-N 1 0 393.487 4.446 50 0 GIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000016002801 570910694 /nfs/dbraw/zinc/91/06/94/570910694.db2.gz NJXVCCUUMXTPAF-UHFFFAOYSA-N 1 0 397.828 4.363 50 0 GIAARO O=C(Cc1cccc2ccccc21)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128072 570913350 /nfs/dbraw/zinc/91/33/50/570913350.db2.gz DWWRNCJCYZAYRO-UHFFFAOYSA-N 1 0 378.541 4.472 50 0 GIAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1C(F)(F)F ZINC000023128060 570913564 /nfs/dbraw/zinc/91/35/64/570913564.db2.gz JQXSBNHBSGBXKI-UHFFFAOYSA-N 1 0 382.451 4.409 50 0 GIAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1cccc(C)c1 ZINC000016349301 570922902 /nfs/dbraw/zinc/92/29/02/570922902.db2.gz HUXDHMUSROLTCX-QFIPXVFZSA-N 1 0 377.484 4.406 50 0 GIAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599298 570928437 /nfs/dbraw/zinc/92/84/37/570928437.db2.gz YNOHARVRHTXJIW-CXAGYDPISA-N 1 0 381.303 4.180 50 0 GIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)COc2ccc(C(C)=O)cc2)cc1 ZINC000105648651 570931073 /nfs/dbraw/zinc/93/10/73/570931073.db2.gz DULHVLGCGBGJSU-URXFXBBRSA-N 1 0 397.515 4.255 50 0 GIAARO C[C@@H]1CCC[N@H+](CCOCCOc2ccc(Cl)cc2Br)C1 ZINC000002825294 570933789 /nfs/dbraw/zinc/93/37/89/570933789.db2.gz GPUYCFVMTDOTMG-CYBMUJFWSA-N 1 0 376.722 4.230 50 0 GIAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(OCC)cc2)cc1 ZINC000016852016 570934538 /nfs/dbraw/zinc/93/45/38/570934538.db2.gz PZCTYFVVWFJKID-DEOSSOPVSA-N 1 0 395.523 4.134 50 0 GIAARO COc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000016994713 570936629 /nfs/dbraw/zinc/93/66/29/570936629.db2.gz SINZIAUESVWWAX-HNNXBMFYSA-N 1 0 381.883 4.495 50 0 GIAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000032930728 570943984 /nfs/dbraw/zinc/94/39/84/570943984.db2.gz FFWUIOZOUNSTMV-GOSISDBHSA-N 1 0 390.531 4.044 50 0 GIAARO C[C@H]1CCC[N@H+](Cc2ccc(Nc3ccc4nnc(C(F)(F)F)n4n3)cc2)C1 ZINC000032932635 570945685 /nfs/dbraw/zinc/94/56/85/570945685.db2.gz RHTTWUAQGZPRAQ-ZDUSSCGKSA-N 1 0 390.413 4.119 50 0 GIAARO CC(C)Oc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047306484 570952953 /nfs/dbraw/zinc/95/29/53/570952953.db2.gz AXXLDFIOOKTIBX-UHFFFAOYSA-N 1 0 380.532 4.045 50 0 GIAARO COCc1c2ccccc2sc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000083914599 570978606 /nfs/dbraw/zinc/97/86/06/570978606.db2.gz UQJVPXSUPTWBAJ-GOSISDBHSA-N 1 0 394.540 4.442 50 0 GIAARO Brc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019363393 570979687 /nfs/dbraw/zinc/97/96/87/570979687.db2.gz DCJMNODLUBWXRL-RTWAWAEBSA-N 1 0 385.349 4.417 50 0 GIAARO COc1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1OC ZINC000019360233 570979776 /nfs/dbraw/zinc/97/97/76/570979776.db2.gz ROTBPERZHFPRPH-UHFFFAOYSA-N 1 0 376.500 4.175 50 0 GIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cnccc3C)CC2)C1 ZINC000091657196 571023814 /nfs/dbraw/zinc/02/38/14/571023814.db2.gz HOVFZWJSNRJOOF-NRFANRHFSA-N 1 0 377.532 4.122 50 0 GIAARO CC[NH+](CC)CC(=O)Nc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1 ZINC000091695569 571026901 /nfs/dbraw/zinc/02/69/01/571026901.db2.gz OKFOUNFFXNZGDT-UHFFFAOYSA-N 1 0 394.441 4.114 50 0 GIAARO CC1(C)C[C@H](C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)CCO1 ZINC000091987675 571038881 /nfs/dbraw/zinc/03/88/81/571038881.db2.gz DWJFQPMVYDIYDU-JOCHJYFZSA-N 1 0 398.591 4.139 50 0 GIAARO Cc1nc2ccccc2nc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000095358159 571053385 /nfs/dbraw/zinc/05/33/85/571053385.db2.gz KGWLOANJYIUFRY-PZJWPPBQSA-N 1 0 390.506 4.174 50 0 GIAARO O=C([O-])c1ccc([C@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)cc1 ZINC000095368899 571059917 /nfs/dbraw/zinc/05/99/17/571059917.db2.gz RPUMTQWRRIFIJE-FQEVSTJZSA-N 1 0 384.545 4.422 50 0 GIAARO CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095379293 571066482 /nfs/dbraw/zinc/06/64/82/571066482.db2.gz YGPDZQKUNCRUPL-SFHVURJKSA-N 1 0 376.422 4.445 50 0 GIAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000095501055 571076345 /nfs/dbraw/zinc/07/63/45/571076345.db2.gz NOGNSTWWQMITHQ-SFHVURJKSA-N 1 0 384.568 4.454 50 0 GIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ccncc3C)C2)c(C)c1 ZINC000095522854 571088207 /nfs/dbraw/zinc/08/82/07/571088207.db2.gz XOFHNKTYXOVWFO-LJQANCHMSA-N 1 0 381.520 4.338 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)C(C)C)CC1 ZINC000095523726 571089061 /nfs/dbraw/zinc/08/90/61/571089061.db2.gz UTQSBISFIFVVTC-UHFFFAOYSA-N 1 0 379.548 4.287 50 0 GIAARO O=C(NC[C@H]1C[N@H+](CC2CC2)CC12CCCCC2)Nc1cc(F)cc(F)c1 ZINC000409421272 823220850 /nfs/dbraw/zinc/22/08/50/823220850.db2.gz YSVLMGCIHMUAET-INIZCTEOSA-N 1 0 377.479 4.379 50 0 GIAARO CCCOc1ccc(-c2nc3ccccc3c(N3CC[NH+](CC)CC3)n2)cc1 ZINC000002248570 817381483 /nfs/dbraw/zinc/38/14/83/817381483.db2.gz ZOLMEEUAYFDNTQ-UHFFFAOYSA-N 1 0 376.504 4.228 50 0 GIAARO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NN2CCOCC2)cc1 ZINC000002974785 817409991 /nfs/dbraw/zinc/40/99/91/817409991.db2.gz BMHHVIHPUNWXAY-UHFFFAOYSA-N 1 0 385.471 4.055 50 0 GIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)c(Cl)c1 ZINC000003049942 817415560 /nfs/dbraw/zinc/41/55/60/817415560.db2.gz DVDLSLMQLUGNLG-HNNXBMFYSA-N 1 0 376.957 4.365 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Br)cc2F)cc1 ZINC000007829143 817927976 /nfs/dbraw/zinc/92/79/76/817927976.db2.gz JSLVERLPDYSUFK-UHFFFAOYSA-N 1 0 393.300 4.360 50 0 GIAARO C[C@H]1CCCC[N@@H+]1Cc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O ZINC000011881073 818127190 /nfs/dbraw/zinc/12/71/90/818127190.db2.gz CYIUBLPVIJBTSP-INIZCTEOSA-N 1 0 381.907 4.473 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(N(C)C)cc2)C1 ZINC000011938322 818130141 /nfs/dbraw/zinc/13/01/41/818130141.db2.gz ROEZFFXBRWKDKH-NRFANRHFSA-N 1 0 393.575 4.088 50 0 GIAARO CN(Cc1cccnc1)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076861 818140586 /nfs/dbraw/zinc/14/05/86/818140586.db2.gz IVQJOOUFQPXZJG-FQEVSTJZSA-N 1 0 391.481 4.487 50 0 GIAARO COC[C@@H](C)[NH2+]Cc1cc2cc(C)ccc2n(Cc2ccccc2Cl)c1=O ZINC000012199003 818146281 /nfs/dbraw/zinc/14/62/81/818146281.db2.gz IHJUUZYFQUVYEK-MRXNPFEDSA-N 1 0 384.907 4.136 50 0 GIAARO c1ccc(C[N@@H+]2CCC[C@]3(CCCN(c4nncc(-c5ccccc5)n4)C3)C2)cc1 ZINC000012303299 818153650 /nfs/dbraw/zinc/15/36/50/818153650.db2.gz PJCQZNZMXIIDKT-VWLOTQADSA-N 1 0 399.542 4.421 50 0 GIAARO O=C(c1cscn1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012309032 818154477 /nfs/dbraw/zinc/15/44/77/818154477.db2.gz LGVJWWDSLBCMOW-IBGZPJMESA-N 1 0 398.576 4.225 50 0 GIAARO Cc1ncsc1C(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012448487 818160364 /nfs/dbraw/zinc/16/03/64/818160364.db2.gz JJARDHUAWNNZHR-UHFFFAOYSA-N 1 0 398.576 4.144 50 0 GIAARO Cc1ccc(NC(=[NH2+])S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1C ZINC000012462187 818161647 /nfs/dbraw/zinc/16/16/47/818161647.db2.gz MZWJWQZAXGVCMD-MRXNPFEDSA-N 1 0 387.892 4.369 50 0 GIAARO Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012471489 818162505 /nfs/dbraw/zinc/16/25/05/818162505.db2.gz FYBGMJFBMMPNGE-JOCHJYFZSA-N 1 0 397.563 4.203 50 0 GIAARO CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)cs1 ZINC000012595244 818169927 /nfs/dbraw/zinc/16/99/27/818169927.db2.gz RMUUCZKOLOTWRJ-JOCHJYFZSA-N 1 0 388.577 4.459 50 0 GIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2ccccc2Cl)c1 ZINC000014962414 818278876 /nfs/dbraw/zinc/27/88/76/818278876.db2.gz UFZGKJKIVSUZIH-IBGZPJMESA-N 1 0 386.923 4.062 50 0 GIAARO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962586 818279124 /nfs/dbraw/zinc/27/91/24/818279124.db2.gz CMUYKLICSRDAJP-RUZDIDTESA-N 1 0 394.559 4.200 50 0 GIAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)Cc2cccs2)Cc2ccccc2C1 ZINC000014963768 818280098 /nfs/dbraw/zinc/28/00/98/818280098.db2.gz FMMILAXBBGVUCI-UHFFFAOYSA-N 1 0 390.552 4.076 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063484 818286558 /nfs/dbraw/zinc/28/65/58/818286558.db2.gz LLGKRHBDEDDZQI-XMMPIXPASA-N 1 0 378.564 4.198 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066456 818287078 /nfs/dbraw/zinc/28/70/78/818287078.db2.gz MFFJMIIMLHBERY-XMMPIXPASA-N 1 0 378.516 4.212 50 0 GIAARO OCC[C@H]1CN(Cc2ccc(-c3ccco3)cc2)CC[N@@H+]1Cc1cccs1 ZINC000019606830 818595443 /nfs/dbraw/zinc/59/54/43/818595443.db2.gz ZGMWLVPWKPOLPM-FQEVSTJZSA-N 1 0 382.529 4.077 50 0 GIAARO CN(Cc1ccc(Cn2cccn2)cc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019838607 818606494 /nfs/dbraw/zinc/60/64/94/818606494.db2.gz OOZMGHJUTKXETE-VWLOTQADSA-N 1 0 388.559 4.070 50 0 GIAARO Clc1ccccc1-c1ccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)o1 ZINC000019868026 818607619 /nfs/dbraw/zinc/60/76/19/818607619.db2.gz QDMXKNZNYSGCLO-LJQANCHMSA-N 1 0 398.894 4.101 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020166589 818616175 /nfs/dbraw/zinc/61/61/75/818616175.db2.gz RZXDPBOJXORDAN-JOCHJYFZSA-N 1 0 388.515 4.365 50 0 GIAARO CCCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440758 818621054 /nfs/dbraw/zinc/62/10/54/818621054.db2.gz RZLQUASGHIXFJM-BJKOFHAPSA-N 1 0 383.532 4.189 50 0 GIAARO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccco1 ZINC000020604684 818626667 /nfs/dbraw/zinc/62/66/67/818626667.db2.gz GFOFJHZSFKLAAP-HSZRJFAPSA-N 1 0 392.499 4.325 50 0 aggregator GIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)cc1 ZINC000020889791 818635857 /nfs/dbraw/zinc/63/58/57/818635857.db2.gz FTDQWCDNAFWYBX-UHFFFAOYSA-N 1 0 381.520 4.346 50 0 GIAARO CCc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020927133 818640790 /nfs/dbraw/zinc/64/07/90/818640790.db2.gz YZMNRGNAXINCCC-UHFFFAOYSA-N 1 0 394.544 4.411 50 0 GIAARO Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c1C ZINC000021171683 818660942 /nfs/dbraw/zinc/66/09/42/818660942.db2.gz GOXPGSPMLPTOHH-IBGZPJMESA-N 1 0 390.531 4.125 50 0 GIAARO COc1ccc(-c2noc(NCC3CC[NH+](Cc4ccccc4F)CC3)n2)cc1 ZINC000021630508 818716484 /nfs/dbraw/zinc/71/64/84/818716484.db2.gz POMZGZYYBQPOCF-UHFFFAOYSA-N 1 0 396.466 4.208 50 0 GIAARO CCC[NH+](CCC)CCCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21 ZINC000021714784 818729365 /nfs/dbraw/zinc/72/93/65/818729365.db2.gz KMEZBXBGIITGPQ-UHFFFAOYSA-N 1 0 389.450 4.487 50 0 GIAARO C[N@H+](CCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)C1CCCCC1 ZINC000021934629 818757270 /nfs/dbraw/zinc/75/72/70/818757270.db2.gz RHXTXEPKGKRMPG-UHFFFAOYSA-N 1 0 388.515 4.291 50 0 GIAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1ccc(F)cc1)C3 ZINC000023129391 818901578 /nfs/dbraw/zinc/90/15/78/818901578.db2.gz NZZAWAPETSBOFR-INIZCTEOSA-N 1 0 385.508 4.044 50 0 GIAARO Cc1ccn2cc(-c3ccc(N4CCC([NH2+]Cc5cccnc5)CC4)cc3)nc2c1 ZINC000023310597 818922787 /nfs/dbraw/zinc/92/27/87/818922787.db2.gz QSYIPIHNJKDQSH-UHFFFAOYSA-N 1 0 397.526 4.463 50 0 GIAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCN2CCC[C@@H](c3ccccc3)C2)c(F)c1 ZINC000023368344 818929003 /nfs/dbraw/zinc/92/90/03/818929003.db2.gz XDJIQBCMYFVSQG-GOSISDBHSA-N 1 0 396.485 4.324 50 0 GIAARO C[N@H+](Cc1ccoc1)Cc1cccc(-c2nc(-c3ccc(O)cc3)cc(=O)[nH]2)c1 ZINC000023582160 818960603 /nfs/dbraw/zinc/96/06/03/818960603.db2.gz ZMLQCDVRLOCWHQ-UHFFFAOYSA-N 1 0 387.439 4.035 50 0 GIAARO CC(/C=C/C(=O)c1cc(C)cc(C(=O)/C=C/C(C)=C/[NH+](C)C)c1[O-])=C\[NH+](C)C ZINC000032650126 820984083 /nfs/dbraw/zinc/98/40/83/820984083.db2.gz AFKIULFSSJBKPQ-SYGKQBLGSA-N 1 0 382.504 4.109 50 0 GIAARO CC(=O)c1cc(CCC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)oc1C ZINC000040107107 821139581 /nfs/dbraw/zinc/13/95/81/821139581.db2.gz QDWBITYHQPRDML-KRWDZBQOSA-N 1 0 396.531 4.272 50 0 GIAARO CN(Cc1ccon1)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000043136047 821366549 /nfs/dbraw/zinc/36/65/49/821366549.db2.gz OPWBPRIYGIXFRN-QGZVFWFLSA-N 1 0 381.442 4.080 50 0 GIAARO Cc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c(OCC(F)(F)F)c1 ZINC000175268117 822919775 /nfs/dbraw/zinc/91/97/75/822919775.db2.gz XLYVBTHRDKYHGM-UHFFFAOYSA-N 1 0 399.457 4.465 50 0 GIAARO Cc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055327525 822952481 /nfs/dbraw/zinc/95/24/81/822952481.db2.gz KUVWVDKCTQPSEB-NRFANRHFSA-N 1 0 397.950 4.075 50 0 GIAARO Cc1ccc(C(=O)N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000169764192 823913508 /nfs/dbraw/zinc/91/35/08/823913508.db2.gz VRSQNGTUDGWTPG-UHFFFAOYSA-N 1 0 392.543 4.281 50 0 GIAARO O=C(c1ccccc1OC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCCC1 ZINC000169776575 823915649 /nfs/dbraw/zinc/91/56/49/823915649.db2.gz LDXCTWHQWWXNPA-GOSISDBHSA-N 1 0 384.545 4.275 50 0 GIAARO Cc1c[nH+]c(C2CCOCC2)n1C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000575549234 823976521 /nfs/dbraw/zinc/97/65/21/823976521.db2.gz JKCHFIXDYMCUGM-UHFFFAOYSA-N 1 0 392.503 4.044 50 0 GIAARO CCOc1ccccc1C[NH+]1CCC2(CC1)[C@@H](OC)CN2c1cccc(F)c1 ZINC000575552963 823977257 /nfs/dbraw/zinc/97/72/57/823977257.db2.gz MEGKBDSXEAJTBS-QFIPXVFZSA-N 1 0 384.495 4.094 50 0 GIAARO COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)c1 ZINC000000934761 203865719 /nfs/dbraw/zinc/86/57/19/203865719.db2.gz NTSJSSBJUDPIIE-HXUWFJFHSA-N 1 0 397.906 4.314 50 0 GIAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1ccc(F)cc1Cl ZINC000002514748 203947447 /nfs/dbraw/zinc/94/74/47/203947447.db2.gz VWWXCFPPNHDJFK-UHFFFAOYSA-N 1 0 389.854 4.049 50 0 GIAARO C[NH+](C)CCN(C(=O)c1ccc(Cl)s1)c1nc2c(cccc2F)s1 ZINC000004359280 204040971 /nfs/dbraw/zinc/04/09/71/204040971.db2.gz APADPGFJAHTVCS-UHFFFAOYSA-N 1 0 383.901 4.359 50 0 GIAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000004278758 204035885 /nfs/dbraw/zinc/03/58/85/204035885.db2.gz PZVIAXTZZNOIRY-QHCPKHFHSA-N 1 0 393.531 4.413 50 0 GIAARO COc1ccc(C[NH2+]C[C@@H](CO)[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1 ZINC000004764677 204074051 /nfs/dbraw/zinc/07/40/51/204074051.db2.gz QJXSFASBEWVZFZ-WIOPSUGQSA-N 1 0 397.559 4.211 50 0 GIAARO COc1ccc(C[NH2+]C[C@H](CO)[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1 ZINC000004764681 204074714 /nfs/dbraw/zinc/07/47/14/204074714.db2.gz QJXSFASBEWVZFZ-RCZVLFRGSA-N 1 0 397.559 4.211 50 0 GIAARO CCOc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2cccc(Cl)c2)cc1 ZINC000004528631 204050467 /nfs/dbraw/zinc/05/04/67/204050467.db2.gz ZWCYJUPRNBGFJX-QFIPXVFZSA-N 1 0 385.915 4.389 50 0 GIAARO CCc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(OC)cc2F)cc1 ZINC000004528712 204051466 /nfs/dbraw/zinc/05/14/66/204051466.db2.gz XZGZCTXTULHNEI-QHCPKHFHSA-N 1 0 383.487 4.047 50 0 GIAARO Cc1ccc(-c2nc3c(c(SCC[NH+]4CCCC4)n2)COC(C)(C)C3)cc1 ZINC000005245085 204120557 /nfs/dbraw/zinc/12/05/57/204120557.db2.gz JRMQWXXBKFLODG-UHFFFAOYSA-N 1 0 383.561 4.491 50 0 GIAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Br)c1OC ZINC000005325236 204125434 /nfs/dbraw/zinc/12/54/34/204125434.db2.gz HFZHECIKDLYTBP-UHFFFAOYSA-N 1 0 389.293 4.280 50 0 GIAARO CCCC[N@H+](CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O ZINC000004939103 204094392 /nfs/dbraw/zinc/09/43/92/204094392.db2.gz MGZQBFIKMRBTMI-UHFFFAOYSA-N 1 0 399.560 4.088 50 0 GIAARO CCCC[N@H+](CC)CCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939374 204094670 /nfs/dbraw/zinc/09/46/70/204094670.db2.gz YINQTQYCEFSLDT-UHFFFAOYSA-N 1 0 386.517 4.168 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000005810349 204152383 /nfs/dbraw/zinc/15/23/83/204152383.db2.gz JAXBQUQVVIQXKV-YCRREMRBSA-N 1 0 390.314 4.397 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(Br)cc1 ZINC000005446798 204132833 /nfs/dbraw/zinc/13/28/33/204132833.db2.gz LFAXXHBSTAKRQR-HKUYNNGSSA-N 1 0 385.305 4.206 50 0 GIAARO CCCCCCC(=O)Oc1c(C)cc(OC[C@H](O)C[NH2+]C(C)C)c(C)c1C ZINC000005502007 204136358 /nfs/dbraw/zinc/13/63/58/204136358.db2.gz ZDQJWEJPIXKCAP-LJQANCHMSA-N 1 0 379.541 4.225 50 0 GIAARO C[N@H+](C1CCCCC1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809589 204210710 /nfs/dbraw/zinc/21/07/10/204210710.db2.gz BPOJYUWGCDNPMU-RBUKOAKNSA-N 1 0 384.973 4.194 50 0 GIAARO CCOc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000006877398 204218481 /nfs/dbraw/zinc/21/84/81/204218481.db2.gz PQAJVRNODHZPTH-IBGZPJMESA-N 1 0 393.531 4.388 50 0 GIAARO Cc1ccc(C[N@@H+](C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000006647324 204187940 /nfs/dbraw/zinc/18/79/40/204187940.db2.gz VJCDSKHYDHNIFF-UHFFFAOYSA-N 1 0 375.497 4.363 50 0 GIAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007540494 204242138 /nfs/dbraw/zinc/24/21/38/204242138.db2.gz UUKWEDMDXLQKIF-UHFFFAOYSA-N 1 0 398.319 4.049 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007654731 204245551 /nfs/dbraw/zinc/24/55/51/204245551.db2.gz WXMITVABVFHPFM-HKUYNNGSSA-N 1 0 390.405 4.342 50 0 GIAARO COc1cccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)[NH+](C)C)c1 ZINC000007684560 204245983 /nfs/dbraw/zinc/24/59/83/204245983.db2.gz KHQUKZBDLIQFNW-HSZRJFAPSA-N 1 0 388.511 4.246 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1Br ZINC000007686956 204246569 /nfs/dbraw/zinc/24/65/69/204246569.db2.gz SWZVKKBUGYWYRE-HNNXBMFYSA-N 1 0 379.323 4.078 50 0 GIAARO COc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)cc(=O)oc2c1 ZINC000007718380 204248018 /nfs/dbraw/zinc/24/80/18/204248018.db2.gz LYLLYNMRFLCJSI-HXUWFJFHSA-N 1 0 395.455 4.156 50 0 GIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1c2ccccc2Oc2ccccc21 ZINC000007792031 204250892 /nfs/dbraw/zinc/25/08/92/204250892.db2.gz OFRIBHMCEQQTAC-LJQANCHMSA-N 1 0 384.479 4.315 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cc3ccccc3)cc2)CC1 ZINC000007988832 204257497 /nfs/dbraw/zinc/25/74/97/204257497.db2.gz SQDWLYBPQSOWEZ-UHFFFAOYSA-N 1 0 385.511 4.282 50 0 GIAARO CCOC(=O)[C@H]1CCC[N@H+](CCCOc2ccc(OCc3ccccc3)cc2)C1 ZINC000008730050 204287363 /nfs/dbraw/zinc/28/73/63/204287363.db2.gz AULVKAQULIYBLC-NRFANRHFSA-N 1 0 397.515 4.310 50 0 GIAARO Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000008310355 204270966 /nfs/dbraw/zinc/27/09/66/204270966.db2.gz RXXIAJNSMKOGQL-FQEVSTJZSA-N 1 0 380.488 4.240 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)[NH+]2CCCC2)cc1 ZINC000008325684 204272410 /nfs/dbraw/zinc/27/24/10/204272410.db2.gz RDDFFGLJJKNGGZ-HSZRJFAPSA-N 1 0 391.515 4.360 50 0 GIAARO Cc1ccc(COc2ccc(C[NH2+]CCCN3CCCCCC3=O)cc2)cc1 ZINC000008403060 204275645 /nfs/dbraw/zinc/27/56/45/204275645.db2.gz PTSZFBBKTHGNNY-UHFFFAOYSA-N 1 0 380.532 4.456 50 0 GIAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104282 204306216 /nfs/dbraw/zinc/30/62/16/204306216.db2.gz BZCJWBODSLCZIW-DEOSSOPVSA-N 1 0 379.475 4.406 50 0 GIAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102507 204306514 /nfs/dbraw/zinc/30/65/14/204306514.db2.gz MJASHCIAWIVVMW-DEOSSOPVSA-N 1 0 379.475 4.406 50 0 GIAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000009416911 204309549 /nfs/dbraw/zinc/30/95/49/204309549.db2.gz QHDWFKBMSKAVKG-QGZVFWFLSA-N 1 0 397.519 4.087 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cc(C)n(C3CC3)c2C)[NH+]2CCCC2)cc1 ZINC000009496317 204312199 /nfs/dbraw/zinc/31/21/99/204312199.db2.gz VEVGCOIMHFZDLM-QFIPXVFZSA-N 1 0 381.520 4.015 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccc(SC)cc2)[NH+]2CCCCC2)cc1 ZINC000009647710 204320015 /nfs/dbraw/zinc/32/00/15/204320015.db2.gz KRPIULHNVYOFSD-NRFANRHFSA-N 1 0 384.545 4.374 50 0 GIAARO Cc1nn2c(nc(C)cc2NCC[NH+](C)C)c1-c1ccc(Cl)cc1Cl ZINC000009134109 204300427 /nfs/dbraw/zinc/30/04/27/204300427.db2.gz HZTVSWGJQSPHOF-UHFFFAOYSA-N 1 0 378.307 4.293 50 0 GIAARO O=C(c1cccnc1)N1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000011661940 204349010 /nfs/dbraw/zinc/34/90/10/204349010.db2.gz OBBKLFYEJOVTNY-FQEVSTJZSA-N 1 0 383.923 4.109 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC(F)(F)F ZINC000011661694 204349298 /nfs/dbraw/zinc/34/92/98/204349298.db2.gz SCMZPTTVUYTNDM-OAHLLOKOSA-N 1 0 376.850 4.005 50 0 GIAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F)c1cnn(-c2ccccc2)c1 ZINC000011664244 204350261 /nfs/dbraw/zinc/35/02/61/204350261.db2.gz WLOYCHJRWBPMNG-AWEZNQCLSA-N 1 0 379.414 4.391 50 0 GIAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000011753519 204353350 /nfs/dbraw/zinc/35/33/50/204353350.db2.gz LKOXTWOPJYOIPC-LJQANCHMSA-N 1 0 394.515 4.192 50 0 GIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cc(C)c(C)o4)CC3)on2)c1 ZINC000011775343 204353380 /nfs/dbraw/zinc/35/33/80/204353380.db2.gz JUCHULXHYIONSY-UHFFFAOYSA-N 1 0 396.487 4.130 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccco2)CC1 ZINC000011814266 204354398 /nfs/dbraw/zinc/35/43/98/204354398.db2.gz XVCZQFGULMUXDY-UHFFFAOYSA-N 1 0 384.520 4.299 50 0 GIAARO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](CCCC3CCCC3)C2)c1OC ZINC000011840182 204356033 /nfs/dbraw/zinc/35/60/33/204356033.db2.gz BGGRXSAZAYGJNM-LJQANCHMSA-N 1 0 388.552 4.116 50 0 GIAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CCC1(C)CC1 ZINC000011874292 204360075 /nfs/dbraw/zinc/36/00/75/204360075.db2.gz OLYZSKRDFBVNMO-UHFFFAOYSA-N 1 0 390.543 4.093 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCc2c[nH]cn2)c(C)s1 ZINC000011935557 204363078 /nfs/dbraw/zinc/36/30/78/204363078.db2.gz STHZEIOPVQFWFI-UHFFFAOYSA-N 1 0 395.507 4.412 50 0 GIAARO c1coc(CN2CCC([NH2+][C@H]3CCCN(c4nc5ccccc5s4)C3)CC2)c1 ZINC000011948973 204363846 /nfs/dbraw/zinc/36/38/46/204363846.db2.gz GPSQBLFXFFMFGO-SFHVURJKSA-N 1 0 396.560 4.112 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)CC1 ZINC000011946595 204364113 /nfs/dbraw/zinc/36/41/13/204364113.db2.gz YONFBNFBUSHVSM-UHFFFAOYSA-N 1 0 390.531 4.271 50 0 GIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(C)c3)oc2C)C1 ZINC000011949776 204364720 /nfs/dbraw/zinc/36/47/20/204364720.db2.gz HPVLPUMCTCNBNH-LJQANCHMSA-N 1 0 399.535 4.047 50 0 GIAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000012003024 204367587 /nfs/dbraw/zinc/36/75/87/204367587.db2.gz DZTXCZLYFGBOAR-HSZRJFAPSA-N 1 0 390.527 4.259 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1ccc2cc[nH]c2c1 ZINC000012003828 204367734 /nfs/dbraw/zinc/36/77/34/204367734.db2.gz PNNNBJWGCOXHRZ-IBGZPJMESA-N 1 0 393.506 4.334 50 0 GIAARO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000011093687 204343115 /nfs/dbraw/zinc/34/31/15/204343115.db2.gz DURDNHKKIPNWCX-JTSKRJEESA-N 1 0 382.504 4.389 50 0 GIAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000011093916 204343276 /nfs/dbraw/zinc/34/32/76/204343276.db2.gz LDZSSGMLTLMTFJ-ORAYPTAESA-N 1 0 390.430 4.050 50 0 GIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1F ZINC000011093983 204343331 /nfs/dbraw/zinc/34/33/31/204343331.db2.gz UQZXMLLEAVAFMV-QVKFZJNVSA-N 1 0 386.467 4.219 50 0 GIAARO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000012331627 204399644 /nfs/dbraw/zinc/39/96/44/204399644.db2.gz OTPAKRKGPFLPAV-VWNXMTODSA-N 1 0 387.527 4.337 50 0 GIAARO Cc1nc2cc(NC(=O)[C@@H]3CC34CC[NH+]([C@@H]3CCSC3)CC4)ccc2s1 ZINC000012185364 204380220 /nfs/dbraw/zinc/38/02/20/204380220.db2.gz ZLTZSMWJCLHORV-CVEARBPZSA-N 1 0 387.574 4.151 50 0 GIAARO Cc1ccc2cc(C[N@H+](C)Cc3ccccc3)c(=O)n(Cc3ccccn3)c2c1 ZINC000012191168 204381049 /nfs/dbraw/zinc/38/10/49/204381049.db2.gz KDHBBKPVASXQOE-UHFFFAOYSA-N 1 0 383.495 4.385 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cnn1-c1cccc(F)c1 ZINC000012194752 204381723 /nfs/dbraw/zinc/38/17/23/204381723.db2.gz TXVHTGPSBYMXBA-INIZCTEOSA-N 1 0 375.451 4.356 50 0 GIAARO C[C@@H](CNC(=O)c1ccncc1)Oc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000012209752 204384293 /nfs/dbraw/zinc/38/42/93/204384293.db2.gz HMVHUENKPHXZEX-SFHVURJKSA-N 1 0 381.520 4.043 50 0 GIAARO CSC[C@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000012297330 204391734 /nfs/dbraw/zinc/39/17/34/204391734.db2.gz PFZZGHMFVBMQKV-SFHVURJKSA-N 1 0 398.572 4.211 50 0 GIAARO CC(=O)c1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1 ZINC000012297497 204391976 /nfs/dbraw/zinc/39/19/76/204391976.db2.gz DIHGCSUEAOHHFV-HXUWFJFHSA-N 1 0 396.506 4.055 50 0 GIAARO COc1cccc2c1OCC(C[NH2+][C@@H](C)c1cnn(-c3ccccc3)c1C)=C2 ZINC000012315017 204395347 /nfs/dbraw/zinc/39/53/47/204395347.db2.gz JMBAPBBRXJVDDS-INIZCTEOSA-N 1 0 375.472 4.316 50 0 GIAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C[C@@H]4CC=CCC4)CC3)cc2)n1 ZINC000012315208 204396303 /nfs/dbraw/zinc/39/63/03/204396303.db2.gz DAMBYYWOSBBESL-HXUWFJFHSA-N 1 0 392.547 4.496 50 0 GIAARO O[C@@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1ccccc1 ZINC000013512942 204492996 /nfs/dbraw/zinc/49/29/96/204492996.db2.gz WLLUFYWNQIDVGU-HXUWFJFHSA-N 1 0 386.313 4.099 50 0 GIAARO C[C@H]([NH2+]C1CCN(c2ccc(C(=O)N(C)C)cc2)CC1)c1ccc(Cl)cc1 ZINC000014988601 204552584 /nfs/dbraw/zinc/55/25/84/204552584.db2.gz UERVVYQDSSTZCY-INIZCTEOSA-N 1 0 385.939 4.361 50 0 GIAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Nc2ccccc2)C1 ZINC000015062591 204554782 /nfs/dbraw/zinc/55/47/82/204554782.db2.gz YDVLIGQVFCZDHN-IBGZPJMESA-N 1 0 381.520 4.114 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc1 ZINC000015062053 204556058 /nfs/dbraw/zinc/55/60/58/204556058.db2.gz HBPQWJHSEOFBQT-LJQANCHMSA-N 1 0 383.513 4.290 50 0 GIAARO Cc1cc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc(C)c1Cl ZINC000015831526 204578865 /nfs/dbraw/zinc/57/88/65/204578865.db2.gz TUYWKLONJHOPIL-GOSISDBHSA-N 1 0 378.944 4.203 50 0 GIAARO CC[NH+]1CCN(Cc2c(NC(=O)c3ccccc3)sc3c2CCCC3)CC1 ZINC000021548869 204760018 /nfs/dbraw/zinc/76/00/18/204760018.db2.gz WAFBECUNQMXLFM-UHFFFAOYSA-N 1 0 383.561 4.017 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccsc1 ZINC000025331195 204831879 /nfs/dbraw/zinc/83/18/79/204831879.db2.gz DHRXXUZYVYNYEF-IBGZPJMESA-N 1 0 386.492 4.499 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)[NH+]2CCCCC2)cc1 ZINC000027664536 204859345 /nfs/dbraw/zinc/85/93/45/204859345.db2.gz LYHFHLOTJJKSQK-JOCHJYFZSA-N 1 0 380.532 4.334 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1C ZINC000036031477 205003258 /nfs/dbraw/zinc/00/32/58/205003258.db2.gz WBWZDIFPENSQJM-HSZRJFAPSA-N 1 0 391.511 4.446 50 0 GIAARO CC(C)CC[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COCc1ccccc1 ZINC000036099796 205005067 /nfs/dbraw/zinc/00/50/67/205005067.db2.gz KZIAMXQBINWXRH-NRFANRHFSA-N 1 0 377.475 4.391 50 0 GIAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@H](O)COCc2ccco2)cc1 ZINC000036095320 205005206 /nfs/dbraw/zinc/00/52/06/205005206.db2.gz JYKSFNCIJUIKLZ-QFIPXVFZSA-N 1 0 395.499 4.177 50 0 GIAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036101920 205005299 /nfs/dbraw/zinc/00/52/99/205005299.db2.gz HHJYENWMXKJUCJ-QHCPKHFHSA-N 1 0 389.495 4.330 50 0 GIAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)Cc1ccccc1 ZINC000036104613 205005540 /nfs/dbraw/zinc/00/55/40/205005540.db2.gz PHUPJSLWIIVUMD-HSZRJFAPSA-N 1 0 389.495 4.330 50 0 GIAARO COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)C(C)C)c1 ZINC000036345675 205013466 /nfs/dbraw/zinc/01/34/66/205013466.db2.gz BUORRSSTIMYSLA-QHCPKHFHSA-N 1 0 393.531 4.330 50 0 GIAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)c1cccc(Br)c1 ZINC000077104041 205033294 /nfs/dbraw/zinc/03/32/94/205033294.db2.gz FQGYCGTUUGCYRN-UHFFFAOYSA-N 1 0 393.350 4.120 50 0 GIAARO Cc1noc(C)c1COc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000039563827 205044442 /nfs/dbraw/zinc/04/44/42/205044442.db2.gz VOUQHLBTKXEYML-UHFFFAOYSA-N 1 0 399.535 4.063 50 0 GIAARO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1)c1ccccc1 ZINC000040050459 205046542 /nfs/dbraw/zinc/04/65/42/205046542.db2.gz STWPZUOBLOGZBR-RTBURBONSA-N 1 0 380.532 4.303 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccccc1 ZINC000040103777 205052597 /nfs/dbraw/zinc/05/25/97/205052597.db2.gz PMFOGSIQWFLUQD-QFIPXVFZSA-N 1 0 380.536 4.491 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000040112659 205053753 /nfs/dbraw/zinc/05/37/53/205053753.db2.gz POOGWYOOIQJIKC-KRWDZBQOSA-N 1 0 399.560 4.385 50 0 GIAARO O=C(C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1)NCCCc1ccccc1 ZINC000040135393 205056830 /nfs/dbraw/zinc/05/68/30/205056830.db2.gz UGOFCYAQTNCDBG-NRFANRHFSA-N 1 0 375.516 4.096 50 0 GIAARO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCc1ccccc1C ZINC000040741901 205070642 /nfs/dbraw/zinc/07/06/42/205070642.db2.gz OQEYVNQNYMFXBX-GOSISDBHSA-N 1 0 377.912 4.487 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1c(OCC(=O)Nc2ccc(C)cc2)ccc2ccccc21 ZINC000040736268 205069079 /nfs/dbraw/zinc/06/90/79/205069079.db2.gz RFCMGPQBKPLRBF-IBGZPJMESA-N 1 0 392.499 4.026 50 0 GIAARO OCCOCC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736172 205069871 /nfs/dbraw/zinc/06/98/71/205069871.db2.gz CKVIDQZBOLRNBY-UHFFFAOYSA-N 1 0 385.891 4.171 50 0 GIAARO CCC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000044854826 205087520 /nfs/dbraw/zinc/08/75/20/205087520.db2.gz ZDLNSPCPZBLEAO-HXUWFJFHSA-N 1 0 399.922 4.338 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040744010 205070698 /nfs/dbraw/zinc/07/06/98/205070698.db2.gz BLZOWQNEHWGFRK-ZDUSSCGKSA-N 1 0 384.303 4.442 50 0 GIAARO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743586 205071344 /nfs/dbraw/zinc/07/13/44/205071344.db2.gz SGNPVHRPQWBEQQ-UHFFFAOYSA-N 1 0 390.911 4.182 50 0 GIAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000048237417 205115596 /nfs/dbraw/zinc/11/55/96/205115596.db2.gz IIZOLLKINJHNFC-UHFFFAOYSA-N 1 0 378.394 4.322 50 0 GIAARO CC(C)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535953 205128257 /nfs/dbraw/zinc/12/82/57/205128257.db2.gz QAFVHTVNXLNQPB-UHFFFAOYSA-N 1 0 389.543 4.426 50 0 GIAARO COc1ccc2cc(-c3n[nH]cc3C[N@H+](CCO)Cc3cccs3)ccc2c1 ZINC000045962894 205100370 /nfs/dbraw/zinc/10/03/70/205100370.db2.gz ZVBLSKFHZFOGCC-UHFFFAOYSA-N 1 0 393.512 4.295 50 0 GIAARO Cc1cccc(-c2ncc(C[N@H+]3CCC[C@H](c4nc(CC(C)C)no4)C3)cn2)c1 ZINC000055327101 205147294 /nfs/dbraw/zinc/14/72/94/205147294.db2.gz NAIYMQYVMVVHMN-FQEVSTJZSA-N 1 0 391.519 4.413 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000056851970 205151744 /nfs/dbraw/zinc/15/17/44/205151744.db2.gz DFFYOTRLKJDGDE-HZPDHXFCSA-N 1 0 375.472 4.476 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000057446787 205156506 /nfs/dbraw/zinc/15/65/06/205156506.db2.gz QMDLHVOPAMKZIB-CQSZACIVSA-N 1 0 382.895 4.432 50 0 GIAARO Cc1cc(NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000058008089 205163313 /nfs/dbraw/zinc/16/33/13/205163313.db2.gz GRVWHYDAKMMFLH-UHFFFAOYSA-N 1 0 385.295 4.276 50 0 GIAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000058163330 205165425 /nfs/dbraw/zinc/16/54/25/205165425.db2.gz DWXQRLADYHGOJL-CYBMUJFWSA-N 1 0 377.282 4.055 50 0 GIAARO Cc1noc(C)c1CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000058180369 205167489 /nfs/dbraw/zinc/16/74/89/205167489.db2.gz YBYCUUGVKICZPW-UHFFFAOYSA-N 1 0 398.334 4.121 50 0 GIAARO S=C(Nc1cccc2cnccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000058377100 205172747 /nfs/dbraw/zinc/17/27/47/205172747.db2.gz WBRKHLLZLNQKEU-UHFFFAOYSA-N 1 0 376.529 4.186 50 0 GIAARO O=C(CCN1CCC([NH+]2CCCCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000058418393 205175470 /nfs/dbraw/zinc/17/54/70/205175470.db2.gz WAHAFWPYTIDKTJ-UHFFFAOYSA-N 1 0 384.351 4.272 50 0 GIAARO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cccc(C(=O)N(C)C)c4)CC3)c2c1 ZINC000060478000 205182051 /nfs/dbraw/zinc/18/20/51/205182051.db2.gz LFXGHBBLJAMIDA-UHFFFAOYSA-N 1 0 389.499 4.168 50 0 GIAARO CCn1cc(CC[NH+]2CCC(C(=O)Nc3ccccc3C)CC2)c2cccnc21 ZINC000065165014 205215089 /nfs/dbraw/zinc/21/50/89/205215089.db2.gz LIIXWMVBKLYERZ-UHFFFAOYSA-N 1 0 390.531 4.258 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000064657418 205191542 /nfs/dbraw/zinc/19/15/42/205191542.db2.gz OEQNIJPRSBEYGC-QGZVFWFLSA-N 1 0 381.545 4.360 50 0 GIAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1nc2c(C)cccc2cc1CO ZINC000067713270 205257242 /nfs/dbraw/zinc/25/72/42/205257242.db2.gz QRUBUFPXQXJBAJ-UHFFFAOYSA-N 1 0 378.472 4.432 50 0 GIAARO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071524192 205284690 /nfs/dbraw/zinc/28/46/90/205284690.db2.gz CBVFIERJVQDETE-HXUWFJFHSA-N 1 0 381.520 4.233 50 0 GIAARO CCc1noc(C)c1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072127306 205306172 /nfs/dbraw/zinc/30/61/72/205306172.db2.gz QYGFKSMJGOAOHG-FQEVSTJZSA-N 1 0 387.499 4.057 50 0 GIAARO CC(C)[C@H]1CN(C(=O)c2ccc(Cl)cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072130994 205306625 /nfs/dbraw/zinc/30/66/25/205306625.db2.gz LUFJWYOUCPZAGI-HXUWFJFHSA-N 1 0 389.902 4.247 50 0 GIAARO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000072436659 205351578 /nfs/dbraw/zinc/35/15/78/205351578.db2.gz MHKKEBGKQHXYOG-GOSISDBHSA-N 1 0 380.513 4.199 50 0 GIAARO C[N@@H+]1CCCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 ZINC000072447413 205352213 /nfs/dbraw/zinc/35/22/13/205352213.db2.gz YSYPPBGNCNJGCA-UHFFFAOYSA-N 1 0 398.913 4.469 50 0 GIAARO COCCN1C[C@]2(CCC[N@H+](Cc3ccc(-c4ccc(C)cc4)o3)C2)CCC1=O ZINC000077355287 205359385 /nfs/dbraw/zinc/35/93/85/205359385.db2.gz NHOGQZNLTVMGDT-XMMPIXPASA-N 1 0 396.531 4.106 50 0 GIAARO CC(C)c1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cc1 ZINC000091305335 205411303 /nfs/dbraw/zinc/41/13/03/205411303.db2.gz KYUGNSQAPHSHKB-QFIPXVFZSA-N 1 0 384.564 4.194 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cc[nH]c2)CC1 ZINC000095531830 205497405 /nfs/dbraw/zinc/49/74/05/205497405.db2.gz GYNCGAPRYKTLQC-UHFFFAOYSA-N 1 0 383.536 4.034 50 0 GIAARO Cc1cccc(-c2ccc3nc(-c4ccccc4)c(CN4CC[NH2+]CC4)n3c2)c1 ZINC000106966877 205656172 /nfs/dbraw/zinc/65/61/72/205656172.db2.gz NAAKFFFXONDLHW-UHFFFAOYSA-N 1 0 382.511 4.382 50 0 GIAARO COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)CCCC3)[NH+]2CCCC2)c1 ZINC000027341585 206011561 /nfs/dbraw/zinc/01/15/61/206011561.db2.gz DXMCUFJDTLNULJ-HSZRJFAPSA-N 1 0 378.516 4.141 50 0 GIAARO C[C@@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000225411775 206045166 /nfs/dbraw/zinc/04/51/66/206045166.db2.gz ZQGZUMOMMCYHAA-VGOFRKELSA-N 1 0 394.519 4.016 50 0 GIAARO CCOC(=O)/C=C/c1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)cc1 ZINC000029117303 206053575 /nfs/dbraw/zinc/05/35/75/206053575.db2.gz WRUGJKGNQPMDQG-UXZSZYKQSA-N 1 0 380.488 4.188 50 0 GIAARO CC(C)(C)c1ccc(NC(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000225576971 206058860 /nfs/dbraw/zinc/05/88/60/206058860.db2.gz SZHOWXLUALXJPH-IBGZPJMESA-N 1 0 375.582 4.323 50 0 GIAARO COc1ccccc1N1CC[C@@H](C)[N@H+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000225613860 206061379 /nfs/dbraw/zinc/06/13/79/206061379.db2.gz ZYATWMLRSIVISG-GOSISDBHSA-N 1 0 377.488 4.451 50 0 GIAARO O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687686 206068139 /nfs/dbraw/zinc/06/81/39/206068139.db2.gz WFIUUSJWSFSMBE-LJQANCHMSA-N 1 0 389.421 4.370 50 0 GIAARO COc1ccc([C@]2(CC[NH2+]Cc3ccc4c(c3)OCO4)CCOC(C)(C)C2)cc1 ZINC000032124374 206089112 /nfs/dbraw/zinc/08/91/12/206089112.db2.gz PMHNCLPUURWNGN-XMMPIXPASA-N 1 0 397.515 4.431 50 0 GIAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000064592897 206105245 /nfs/dbraw/zinc/10/52/45/206105245.db2.gz HNIAWCFJSIAMTH-UHFFFAOYSA-N 1 0 388.924 4.094 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cn(C)c3ccccc23)[NH+]2CCCCC2)cc1 ZINC000032747938 206094975 /nfs/dbraw/zinc/09/49/75/206094975.db2.gz KYYGOCWUHSPWQM-HSZRJFAPSA-N 1 0 391.515 4.144 50 0 GIAARO COCC[NH2+]Cc1cnc(C)c2oc(-c3cc(=O)oc4c(C)c(C)ccc34)cc21 ZINC000096114009 206117247 /nfs/dbraw/zinc/11/72/47/206117247.db2.gz QMUIVSQUYSUFKQ-UHFFFAOYSA-N 1 0 392.455 4.262 50 0 GIAARO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3CC)C2)cc1 ZINC000249695575 206138238 /nfs/dbraw/zinc/13/82/38/206138238.db2.gz RDIQTUSMGNWEMD-IBGZPJMESA-N 1 0 390.531 4.469 50 0 GIAARO CCC[NH+]1CCC(CNC(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)CC1 ZINC000252499920 206139702 /nfs/dbraw/zinc/13/97/02/206139702.db2.gz SJDHRBKFSIIZPJ-GOSISDBHSA-N 1 0 383.540 4.044 50 0 GIAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000252522939 206142423 /nfs/dbraw/zinc/14/24/23/206142423.db2.gz BMGANKHKNDEEQC-UHFFFAOYSA-N 1 0 386.483 4.043 50 0 GIAARO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000244673730 206130888 /nfs/dbraw/zinc/13/08/88/206130888.db2.gz HUQKQTIQBPCSHT-UHFFFAOYSA-N 1 0 381.907 4.068 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248006929 206134815 /nfs/dbraw/zinc/13/48/15/206134815.db2.gz UJKNMHJCUDPCNR-UHFFFAOYSA-N 1 0 395.934 4.445 50 0 GIAARO COc1ccc(C[NH2+][C@@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)cc1 ZINC000299763930 206187198 /nfs/dbraw/zinc/18/71/98/206187198.db2.gz HOFSIGAPBIZQBW-LJQANCHMSA-N 1 0 394.494 4.235 50 0 GIAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000299776710 206187719 /nfs/dbraw/zinc/18/77/19/206187719.db2.gz DDAPBZFMRRXQPU-UHFFFAOYSA-N 1 0 384.505 4.307 50 0 GIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1C ZINC000012074692 221148706 /nfs/dbraw/zinc/14/87/06/221148706.db2.gz GMARWEYPXYMVMS-FQEVSTJZSA-N 1 0 383.536 4.402 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3ccccc3)CC2)cc1C ZINC000012099654 221150683 /nfs/dbraw/zinc/15/06/83/221150683.db2.gz ZNKPHOZYOLJUPV-HSZRJFAPSA-N 1 0 376.544 4.264 50 0 GIAARO CC[C@@H]([NH2+]C1CCN(c2nc(C)nc3sccc32)CC1)c1ccc(C)cn1 ZINC000096138580 136184252 /nfs/dbraw/zinc/18/42/52/136184252.db2.gz LULJOPKKNHGREJ-GOSISDBHSA-N 1 0 381.549 4.413 50 0 GIAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717444 136195616 /nfs/dbraw/zinc/19/56/16/136195616.db2.gz OUBCXLDETCTBJU-UHFFFAOYSA-N 1 0 391.515 4.108 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000072478254 222267213 /nfs/dbraw/zinc/26/72/13/222267213.db2.gz MVMARCIXPCISRU-FQEVSTJZSA-N 1 0 392.499 4.184 50 0 GIAARO COc1cccc(CNc2c(C)cnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000095455319 518164454 /nfs/dbraw/zinc/16/44/54/518164454.db2.gz NFJSSWGRKMOKRU-OAQYLSRUSA-N 1 0 376.504 4.259 50 0 GIAARO CC[NH+]1CCN(c2ccc(Nc3nc(C)nc4cc(Cl)ccc43)cc2)CC1 ZINC000000751760 521700285 /nfs/dbraw/zinc/70/02/85/521700285.db2.gz IKHQPBRTYYSJBI-UHFFFAOYSA-N 1 0 381.911 4.477 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCC(=O)c2ccc(C)c(C)c2)CC1 ZINC000040049380 535754155 /nfs/dbraw/zinc/75/41/55/535754155.db2.gz FBRJQVMMPMOCPT-UHFFFAOYSA-N 1 0 393.531 4.047 50 0 GIAARO Clc1cccc(C[NH+]2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)c1 ZINC000096130661 570210727 /nfs/dbraw/zinc/21/07/27/570210727.db2.gz CNSTUCRXHSSQKQ-UHFFFAOYSA-N 1 0 399.970 4.242 50 0 GIAARO CN(C)c1ncc(C[N@@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)s1 ZINC000019720372 570210953 /nfs/dbraw/zinc/21/09/53/570210953.db2.gz CESQIEUUKLAMLY-KRWDZBQOSA-N 1 0 379.529 4.457 50 0 GIAARO OCC1CCN([C@H]2CCC[N@H+](Cc3cccc4c5ccccc5oc43)C2)CC1 ZINC000019732426 570211747 /nfs/dbraw/zinc/21/17/47/570211747.db2.gz KVIQSMSOJZJKSO-FQEVSTJZSA-N 1 0 378.516 4.255 50 0 GIAARO CN(C[C@@]1(C)CC[N@H+](C)C1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000096151023 570215308 /nfs/dbraw/zinc/21/53/08/570215308.db2.gz HMUXOMZTMDBCAX-QFIPXVFZSA-N 1 0 378.476 4.300 50 0 GIAARO Cc1cc2cccc(NC(=O)NC[C@@H](c3cccnc3)[NH+]3CCCCC3)c2o1 ZINC000096162292 570216843 /nfs/dbraw/zinc/21/68/43/570216843.db2.gz NMMKGCXMCANCLV-FQEVSTJZSA-N 1 0 378.476 4.485 50 0 GIAARO COc1cccc(C[NH+]2CCC(NC(=O)Nc3cccc4cnccc43)CC2)c1 ZINC000048051209 570217533 /nfs/dbraw/zinc/21/75/33/570217533.db2.gz VGYAIMPHQIXNMS-UHFFFAOYSA-N 1 0 390.487 4.030 50 0 GIAARO Cc1cc(C)n(CCCN(C)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000096165904 570218289 /nfs/dbraw/zinc/21/82/89/570218289.db2.gz YLGNPZWBOPYSSS-UHFFFAOYSA-N 1 0 383.540 4.040 50 0 GIAARO Fc1ccc(N2CCN([C@@H]3CCC[N@H+](CCCc4ccccc4)C3)CC2)cc1 ZINC000019836007 570223854 /nfs/dbraw/zinc/22/38/54/570223854.db2.gz YIRVPHWXQIYZAT-XMMPIXPASA-N 1 0 381.539 4.045 50 0 GIAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000019839982 570224054 /nfs/dbraw/zinc/22/40/54/570224054.db2.gz IYEFCKVELCOQCD-UHFFFAOYSA-N 1 0 388.559 4.320 50 0 GIAARO CC[NH+](CC)CCOC(=O)[C@@H](Cc1ccc2ccccc2c1)C[C@H]1CCCO1 ZINC000033985951 570228623 /nfs/dbraw/zinc/22/86/23/570228623.db2.gz IEBDTIUHMNLDTC-XZOQPEGZSA-N 1 0 383.532 4.453 50 0 in-vitro GIAARO CC[NH+](CC)CCOC(=O)[C@H](Cc1ccc2ccccc2c1)C[C@H]1CCCO1 ZINC000033985952 570228689 /nfs/dbraw/zinc/22/86/89/570228689.db2.gz IEBDTIUHMNLDTC-DHIUTWEWSA-N 1 0 383.532 4.453 50 0 in-vitro GIAARO Cc1ccc2c(CC(=O)N(CC[NH+](C)C)Cc3ccccc3F)coc2c1C ZINC000048309466 570232629 /nfs/dbraw/zinc/23/26/29/570232629.db2.gz JWWXCOLDBCQVDE-UHFFFAOYSA-N 1 0 382.479 4.322 50 0 GIAARO Cc1noc(C)c1CCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000048310486 570233093 /nfs/dbraw/zinc/23/30/93/570233093.db2.gz CPFJBOPMCDSISM-IRXDYDNUSA-N 1 0 383.536 4.018 50 0 GIAARO COCCNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cccc3cnccc32)s1 ZINC000020201347 570247426 /nfs/dbraw/zinc/24/74/26/570247426.db2.gz BRLRUIOHTRCTEI-LJQANCHMSA-N 1 0 395.528 4.010 50 0 GIAARO O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000020325645 570252160 /nfs/dbraw/zinc/25/21/60/570252160.db2.gz VNFLOAAEIKVJAV-JOCHJYFZSA-N 1 0 396.918 4.055 50 0 GIAARO COc1ccc(NC(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000097784857 570256001 /nfs/dbraw/zinc/25/60/01/570256001.db2.gz MYGZMSDWJADKAH-KRWDZBQOSA-N 1 0 387.911 4.382 50 0 GIAARO COc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)cc(Cl)c1O ZINC000020451215 570257470 /nfs/dbraw/zinc/25/74/70/570257470.db2.gz GAQVFHXYQSKCJC-JOCHJYFZSA-N 1 0 389.923 4.180 50 0 GIAARO CN(C)c1nc(Cl)c(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)s1 ZINC000020452140 570257627 /nfs/dbraw/zinc/25/76/27/570257627.db2.gz PUUAGJYOQMOWNX-KRWDZBQOSA-N 1 0 393.000 4.001 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1cccc(F)c1 ZINC000012855764 570267326 /nfs/dbraw/zinc/26/73/26/570267326.db2.gz VTNQAKYPNQGBIH-GOSISDBHSA-N 1 0 390.549 4.337 50 0 GIAARO COc1ccc(NC(=O)c2ccc(CN3CCn4cccc4[C@@H]3C)cc2)cc1 ZINC000012866663 570269401 /nfs/dbraw/zinc/26/94/01/570269401.db2.gz SNFSMIUQHWMWGO-KRWDZBQOSA-N 1 0 375.472 4.326 50 0 GIAARO C[C@H](CCc1ccccc1)NC(=O)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663492 570294243 /nfs/dbraw/zinc/29/42/43/570294243.db2.gz XRELDOLHYDFBCX-LJQANCHMSA-N 1 0 397.588 4.411 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCC2)cc1 ZINC000021805578 570296766 /nfs/dbraw/zinc/29/67/66/570296766.db2.gz HDWFQLXVCHEMQA-OAQYLSRUSA-N 1 0 375.472 4.217 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccccc1 ZINC000021807485 570297171 /nfs/dbraw/zinc/29/71/71/570297171.db2.gz VIPLAUVPJGGVLK-OAQYLSRUSA-N 1 0 393.487 4.163 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 ZINC000021807572 570297207 /nfs/dbraw/zinc/29/72/07/570297207.db2.gz FEPXEFYJSNCPOW-NRFANRHFSA-N 1 0 377.488 4.463 50 0 GIAARO O=C(Cc1ccc(Cl)cc1Cl)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988773 570304832 /nfs/dbraw/zinc/30/48/32/570304832.db2.gz XHOBVJFSAQTGBR-QGZVFWFLSA-N 1 0 381.303 4.472 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000022075264 570305352 /nfs/dbraw/zinc/30/53/52/570305352.db2.gz MAVDRGTUKJIOED-OAQYLSRUSA-N 1 0 381.447 4.237 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2ccc(CSC)cc2)[NH+]2CCCC2)cc1 ZINC000021911890 570317519 /nfs/dbraw/zinc/31/75/19/570317519.db2.gz VGBZIUFMGGZDAL-OAQYLSRUSA-N 1 0 384.545 4.125 50 0 GIAARO CN1c2ccccc2N[C@@H]1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000022478579 570318332 /nfs/dbraw/zinc/31/83/32/570318332.db2.gz SKBQSFLRKCWXAP-VWLOTQADSA-N 1 0 382.511 4.220 50 0 GIAARO COc1ccccc1C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000022913316 570334118 /nfs/dbraw/zinc/33/41/18/570334118.db2.gz AHVXUAHKPLIGIQ-JOCHJYFZSA-N 1 0 399.966 4.135 50 0 GIAARO Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2ccccc2Br)C1 ZINC000575616878 570359672 /nfs/dbraw/zinc/35/96/72/570359672.db2.gz KUBGSRNGVZORBN-AWEZNQCLSA-N 1 0 384.277 4.194 50 0 GIAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000004921981 570369865 /nfs/dbraw/zinc/36/98/65/570369865.db2.gz GPPTYONANQKWPR-UHFFFAOYSA-N 1 0 395.409 4.142 50 0 GIAARO COc1cc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)cc(OC)c1OC ZINC000000819082 570372043 /nfs/dbraw/zinc/37/20/43/570372043.db2.gz AAYIUNQARINQMV-UHFFFAOYSA-N 1 0 387.867 4.378 50 0 GIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)o1 ZINC000012448059 570380694 /nfs/dbraw/zinc/38/06/94/570380694.db2.gz HCTUNMWUNYBBFT-SFHVURJKSA-N 1 0 383.536 4.285 50 0 GIAARO CCc1nn2c(nc(C[N@@H+](Cc3ccc(C(C)C)cc3)CC(C)C)cc2=O)s1 ZINC000035509828 570382550 /nfs/dbraw/zinc/38/25/50/570382550.db2.gz OFRWLJFZKHHOAP-UHFFFAOYSA-N 1 0 398.576 4.495 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC000024841685 570395950 /nfs/dbraw/zinc/39/59/50/570395950.db2.gz CJHQDMMMFIPYNE-IFMALSPDSA-N 1 0 378.516 4.068 50 0 GIAARO C[C@H]([NH2+]CC(=O)N(c1ccccc1)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000024980696 570401514 /nfs/dbraw/zinc/40/15/14/570401514.db2.gz PUEVZJWYZTVUFY-SFHVURJKSA-N 1 0 394.515 4.474 50 0 GIAARO Cc1ccc2nc(N3CC[NH+](C)CC3)c(-c3noc(-c4ccccc4)n3)cc2c1 ZINC000033318171 570406406 /nfs/dbraw/zinc/40/64/06/570406406.db2.gz INVCWILFMXPRBO-UHFFFAOYSA-N 1 0 385.471 4.012 50 0 GIAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000026311005 570424275 /nfs/dbraw/zinc/42/42/75/570424275.db2.gz WHHBAYGQARTJCG-OAHLLOKOSA-N 1 0 380.941 4.221 50 0 GIAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000026310970 570424313 /nfs/dbraw/zinc/42/43/13/570424313.db2.gz UMPQGCMJQFERCG-OAHLLOKOSA-N 1 0 380.941 4.221 50 0 GIAARO C[C@@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccc(Cl)cc1Cl ZINC000026388945 570425339 /nfs/dbraw/zinc/42/53/39/570425339.db2.gz NHSOIKMRTBGUHZ-GFCCVEGCSA-N 1 0 390.274 4.135 50 0 GIAARO O[C@@H](CSc1ccccc1Cl)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020385233 570433470 /nfs/dbraw/zinc/43/34/70/570433470.db2.gz YZLZJOIWXDURDK-QGZVFWFLSA-N 1 0 397.371 4.269 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1C ZINC000027581580 570436467 /nfs/dbraw/zinc/43/64/67/570436467.db2.gz HWTBDZRKZIBBDG-OAQYLSRUSA-N 1 0 386.923 4.289 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1C ZINC000027581586 570436576 /nfs/dbraw/zinc/43/65/76/570436576.db2.gz HWTBDZRKZIBBDG-NRFANRHFSA-N 1 0 386.923 4.289 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584428 570436865 /nfs/dbraw/zinc/43/68/65/570436865.db2.gz ZEQTYVRBKWSLSY-HSZRJFAPSA-N 1 0 380.532 4.416 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)[NH+]2CCCCC2)cc1 ZINC000027664537 570439723 /nfs/dbraw/zinc/43/97/23/570439723.db2.gz LYHFHLOTJJKSQK-QFIPXVFZSA-N 1 0 380.532 4.334 50 0 GIAARO CCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027667749 570439782 /nfs/dbraw/zinc/43/97/82/570439782.db2.gz NRVYPBCJWRKHGU-OAQYLSRUSA-N 1 0 382.504 4.051 50 0 GIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027747387 570441707 /nfs/dbraw/zinc/44/17/07/570441707.db2.gz WZBVEJGRSPJELP-HSZRJFAPSA-N 1 0 396.531 4.151 50 0 GIAARO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ccc(C(=O)N(C)C)cc4)CC3)c2c1 ZINC000089312081 570445894 /nfs/dbraw/zinc/44/58/94/570445894.db2.gz CBDKZUNAJSQRNM-UHFFFAOYSA-N 1 0 389.499 4.168 50 0 GIAARO Cc1cc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)ccc1Cl ZINC000027994753 570448918 /nfs/dbraw/zinc/44/89/18/570448918.db2.gz COOGMUSXSGNMBK-SFHVURJKSA-N 1 0 378.944 4.284 50 0 GIAARO COc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc3ccccc3c2)CC1 ZINC000089473674 570454875 /nfs/dbraw/zinc/45/48/75/570454875.db2.gz RNBSNBRZEKCVNY-UHFFFAOYSA-N 1 0 388.511 4.172 50 0 GIAARO CC[NH+]1CCN(C2(CNC(=O)c3oc4cc(C)ccc4c3C)CCCCC2)CC1 ZINC000028292633 570456565 /nfs/dbraw/zinc/45/65/65/570456565.db2.gz GHRZTXIKGLZGOP-UHFFFAOYSA-N 1 0 397.563 4.120 50 0 GIAARO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1OC ZINC000030543471 570490925 /nfs/dbraw/zinc/49/09/25/570490925.db2.gz LNNBVMREDHFEIX-UHFFFAOYSA-N 1 0 378.472 4.010 50 0 GIAARO c1cnn(Cc2ccc(C[NH2+]Cc3ccccc3OCc3cccnc3)cc2)c1 ZINC000030629970 570492795 /nfs/dbraw/zinc/49/27/95/570492795.db2.gz ZBDLWEVEIVFJTH-UHFFFAOYSA-N 1 0 384.483 4.195 50 0 GIAARO CC(C)N(C)C(=O)c1ccc(C[NH2+]Cc2csc(Br)c2)cc1 ZINC000030631194 570492936 /nfs/dbraw/zinc/49/29/36/570492936.db2.gz NEAUADWVHZWFIS-UHFFFAOYSA-N 1 0 381.339 4.281 50 0 GIAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)no2)cc1C ZINC000032623111 570512480 /nfs/dbraw/zinc/51/24/80/570512480.db2.gz RFZOZUIGOPEORA-FQEVSTJZSA-N 1 0 381.451 4.130 50 0 GIAARO Clc1ccc(CN(CC[NH+]2CCCC2)Cc2nnc(C3CC3)o2)cc1Cl ZINC000072308254 570527595 /nfs/dbraw/zinc/52/75/95/570527595.db2.gz BVCBPZJHJUZACF-UHFFFAOYSA-N 1 0 395.334 4.352 50 0 GIAARO OCCC[N@H+](Cc1cc(Cl)cc2c1OCOC2)[C@@H]1CCCc2ccccc21 ZINC000072308758 570528665 /nfs/dbraw/zinc/52/86/65/570528665.db2.gz NAYLAMDQFWPJBR-OAQYLSRUSA-N 1 0 387.907 4.469 50 0 GIAARO COc1cc2c(cc1OC)C1(CCOCC1)C[N@H+](C/C=C/c1ccccc1)C2 ZINC000001323013 570535792 /nfs/dbraw/zinc/53/57/92/570535792.db2.gz OGGKRRPEQACCMB-RMKNXTFCSA-N 1 0 379.500 4.281 50 0 GIAARO Cc1ncc(C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)n1-c1ccccc1 ZINC000072312307 570647558 /nfs/dbraw/zinc/64/75/58/570647558.db2.gz LNKWZAPKHZNFBE-KRWDZBQOSA-N 1 0 382.458 4.075 50 0 GIAARO O=C(c1ccccc1OC1CC[NH+](C/C=C/c2ccccc2)CC1)N1CCCC1 ZINC000012430294 570658486 /nfs/dbraw/zinc/65/84/86/570658486.db2.gz VRUXEXIMOCJPRI-DHZHZOJOSA-N 1 0 390.527 4.479 50 0 GIAARO CCOc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)ccc1OC ZINC000012433188 570660568 /nfs/dbraw/zinc/66/05/68/570660568.db2.gz JSJIGTCBKFBWRT-HSZRJFAPSA-N 1 0 387.495 4.050 50 0 GIAARO C[C@H]1CN(c2nc(-c3ccc(Cl)cc3)nnc2-c2ccccc2)C[C@H](C)[NH2+]1 ZINC000005529467 570663705 /nfs/dbraw/zinc/66/37/05/570663705.db2.gz SIDFCKYUJZRRSD-GJZGRUSLSA-N 1 0 379.895 4.046 50 0 GIAARO O=C(c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1)N1C[C@H]2C[C@@H]1CCC2 ZINC000012453064 570668171 /nfs/dbraw/zinc/66/81/71/570668171.db2.gz SRKXBERBFXQYJA-NQIIRXRSSA-N 1 0 382.548 4.487 50 0 GIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000012585372 570685129 /nfs/dbraw/zinc/68/51/29/570685129.db2.gz FDYSWUPPMFWDLD-GOSISDBHSA-N 1 0 383.513 4.275 50 0 GIAARO CC1(CCC(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000012593117 570688316 /nfs/dbraw/zinc/68/83/16/570688316.db2.gz MUPHLYHQERUPHY-NRFANRHFSA-N 1 0 376.585 4.229 50 0 GIAARO COc1ccc(-n2cc(C[NH+]3CCC(OC)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000012597049 570689612 /nfs/dbraw/zinc/68/96/12/570689612.db2.gz SQQVQOVLNKJKPI-UHFFFAOYSA-N 1 0 395.478 4.298 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@@H](O)C2)c(C)s1 ZINC000012597632 570690257 /nfs/dbraw/zinc/69/02/57/570690257.db2.gz NADLONDIMFSAMZ-QGZVFWFLSA-N 1 0 385.508 4.313 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CCOCC2)c(F)c1 ZINC000012708161 570700980 /nfs/dbraw/zinc/70/09/80/570700980.db2.gz LCLXUNKGSRJYGR-UHFFFAOYSA-N 1 0 395.478 4.298 50 0 GIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2sccc2C)cc1 ZINC000012718492 570705377 /nfs/dbraw/zinc/70/53/77/570705377.db2.gz KWTVMBUGQANKQP-UHFFFAOYSA-N 1 0 386.561 4.092 50 0 GIAARO C[NH+](C)CCCN(C(=O)/C=C/c1cccs1)c1nc2c(cccc2F)s1 ZINC000004359768 570706322 /nfs/dbraw/zinc/70/63/22/570706322.db2.gz HZCJTRDLPBZXNQ-MDZDMXLPSA-N 1 0 389.521 4.495 50 0 GIAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)Cc3ccccc3)nc21 ZINC000004359747 570706374 /nfs/dbraw/zinc/70/63/74/570706374.db2.gz MPLLVNFWQMWBEW-UHFFFAOYSA-N 1 0 397.544 4.222 50 0 GIAARO CCc1ccc([C@H](CNC(=O)CCCc2c[nH]c3ccccc23)[NH+](C)C)cc1 ZINC000012793592 570714833 /nfs/dbraw/zinc/71/48/33/570714833.db2.gz KVXLLMCOPDWISB-QHCPKHFHSA-N 1 0 377.532 4.472 50 0 GIAARO CCc1nc(C)c(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)[nH]1 ZINC000015065608 570723430 /nfs/dbraw/zinc/72/34/30/570723430.db2.gz GDQBPUDZVCQDCN-KRWDZBQOSA-N 1 0 386.515 4.359 50 0 GIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000012980749 570735746 /nfs/dbraw/zinc/73/57/46/570735746.db2.gz AVLMNPQVDASEFO-JOCHJYFZSA-N 1 0 398.503 4.268 50 0 GIAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C)c(C)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000013594828 570761322 /nfs/dbraw/zinc/76/13/22/570761322.db2.gz CFCGEYSSNHFDPN-HWBMXIPRSA-N 1 0 390.527 4.250 50 0 GIAARO COc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccccc1F ZINC000008470447 570770260 /nfs/dbraw/zinc/77/02/60/570770260.db2.gz XHISXWSQKUVHTO-UHFFFAOYSA-N 1 0 380.257 4.428 50 0 GIAARO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033068931 570773478 /nfs/dbraw/zinc/77/34/78/570773478.db2.gz LPDNURSXEBLORR-UHFFFAOYSA-N 1 0 397.544 4.056 50 0 GIAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000033069012 570775299 /nfs/dbraw/zinc/77/52/99/570775299.db2.gz YWXPZJZZQBDBBV-UHFFFAOYSA-N 1 0 397.544 4.056 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2cn(C3CC3)cc2s1 ZINC000065285557 570780983 /nfs/dbraw/zinc/78/09/83/570780983.db2.gz FXNDRTWYDJNFQT-UHFFFAOYSA-N 1 0 379.529 4.432 50 0 GIAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731326 570783324 /nfs/dbraw/zinc/78/33/24/570783324.db2.gz ZEYYWTGMDJGUSQ-UHFFFAOYSA-N 1 0 382.504 4.443 50 0 GIAARO COc1ccc2cc(C[NH2+]C[C@@H](c3cccs3)N3CCOCC3)ccc2c1 ZINC000032735845 570788503 /nfs/dbraw/zinc/78/85/03/570788503.db2.gz XUEKZZZMOBTLSF-NRFANRHFSA-N 1 0 382.529 4.073 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)c2cnn(-c3ccccc3)c2)c2cccs2)CC1 ZINC000032748018 570794023 /nfs/dbraw/zinc/79/40/23/570794023.db2.gz ORJIVAJPJSUUKD-FQEVSTJZSA-N 1 0 394.544 4.137 50 0 GIAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000096834717 570794186 /nfs/dbraw/zinc/79/41/86/570794186.db2.gz VBJIACMVMBJVTM-XMMPIXPASA-N 1 0 397.453 4.260 50 0 GIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc3c(c2)CCO3)cc1 ZINC000032796041 570813937 /nfs/dbraw/zinc/81/39/37/570813937.db2.gz JIQVTYDLQCUHHB-UHFFFAOYSA-N 1 0 386.495 4.280 50 0 GIAARO COc1ccccc1-c1cccc2cc(C(=O)NC34CC[NH+](CC3)CC4)oc21 ZINC000032816931 570829787 /nfs/dbraw/zinc/82/97/87/570829787.db2.gz FUPRXHXKLJHYRH-UHFFFAOYSA-N 1 0 376.456 4.077 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cccc(-n3cccc3)c2)[NH+]2CCCC2)cc1 ZINC000012533214 570834992 /nfs/dbraw/zinc/83/49/92/570834992.db2.gz TVSYXFGZFNKKLW-HSZRJFAPSA-N 1 0 389.499 4.053 50 0 GIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000043991144 570852975 /nfs/dbraw/zinc/85/29/75/570852975.db2.gz KOJUUBOOLYEFJM-UHFFFAOYSA-N 1 0 386.536 4.119 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2C)[NH+]2CCCC2)cc1 ZINC000014701027 570855313 /nfs/dbraw/zinc/85/53/13/570855313.db2.gz ODERJDUJAUKNJU-HXUWFJFHSA-N 1 0 378.472 4.317 50 0 GIAARO CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000032869469 570864441 /nfs/dbraw/zinc/86/44/41/570864441.db2.gz XDSWKBFGYYXMMU-HSZRJFAPSA-N 1 0 394.515 4.181 50 0 GIAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)cc1 ZINC000014950020 570865740 /nfs/dbraw/zinc/86/57/40/570865740.db2.gz YIRQQYUUJGADEN-SFHVURJKSA-N 1 0 392.528 4.084 50 0 GIAARO CC[C@@H]1CN(C(=O)c2ccc(NCc3ccc(C)s3)nc2)CC[N@@H+]1C(C)C ZINC000014956484 570866309 /nfs/dbraw/zinc/86/63/09/570866309.db2.gz RKTMDALHJSFSIN-GOSISDBHSA-N 1 0 386.565 4.008 50 0 GIAARO CCCn1cc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)c(C)n1 ZINC000014972896 570868119 /nfs/dbraw/zinc/86/81/19/570868119.db2.gz XYCPWTRFZBQWPO-UHFFFAOYSA-N 1 0 375.944 4.072 50 0 GIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cccs1 ZINC000015072351 570878000 /nfs/dbraw/zinc/87/80/00/570878000.db2.gz AKAPWCDFSQZBKW-IBGZPJMESA-N 1 0 386.561 4.174 50 0 GIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](C4CCCCCC4)CC3)on2)c1 ZINC000015074565 570878276 /nfs/dbraw/zinc/87/82/76/570878276.db2.gz JLKCQDMTHRITIU-UHFFFAOYSA-N 1 0 384.520 4.442 50 0 GIAARO COc1ccc2c(C[N@H+](C)Cc3ccccc3N3CCCCC3)cc(=O)oc2c1 ZINC000015103796 570881219 /nfs/dbraw/zinc/88/12/19/570881219.db2.gz XUZAIIVKGJPPDB-UHFFFAOYSA-N 1 0 392.499 4.424 50 0 GIAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000012601635 570887170 /nfs/dbraw/zinc/88/71/70/570887170.db2.gz JSEVRGIDKBLNNO-LJQANCHMSA-N 1 0 388.515 4.349 50 0 GIAARO Fc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc(C(F)(F)F)c1 ZINC000097032575 570887354 /nfs/dbraw/zinc/88/73/54/570887354.db2.gz GTWNQXNBJVXEPZ-AWEZNQCLSA-N 1 0 378.373 4.267 50 0 GIAARO Fc1ccc(C[NH2+]Cc2ccc(OCc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000015356903 570892525 /nfs/dbraw/zinc/89/25/25/570892525.db2.gz YAVNPMXBGHIUPX-UHFFFAOYSA-N 1 0 379.431 4.466 50 0 GIAARO Cc1ccc2c(C(=O)N3CC[NH+](C(C)C)CC3)cc(-c3ccccn3)nc2c1C ZINC000013321637 570894967 /nfs/dbraw/zinc/89/49/67/570894967.db2.gz ONMQGIXVHOHHCF-UHFFFAOYSA-N 1 0 388.515 4.080 50 0 GIAARO CCc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCC2)cc1 ZINC000015859692 570906790 /nfs/dbraw/zinc/90/67/90/570906790.db2.gz QGLVAJJBUIIBNV-QFIPXVFZSA-N 1 0 389.499 4.471 50 0 GIAARO CN(Cc1ccsc1)C(=O)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000534643588 570909240 /nfs/dbraw/zinc/90/92/40/570909240.db2.gz PZSKYLSTHLISIS-UHFFFAOYSA-N 1 0 377.941 4.208 50 0 GIAARO CC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982677 570911349 /nfs/dbraw/zinc/91/13/49/570911349.db2.gz UUXLYPPOFPHERF-VQTJNVASSA-N 1 0 390.886 4.245 50 0 GIAARO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)n1cnc2ccccc21 ZINC000105681493 570931212 /nfs/dbraw/zinc/93/12/12/570931212.db2.gz BKSKKYZKRVDZJK-MOPGFXCFSA-N 1 0 390.531 4.146 50 0 GIAARO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)n1cnc2ccccc21 ZINC000105659455 570931771 /nfs/dbraw/zinc/93/17/71/570931771.db2.gz LSACSXOEQFENOL-OALUTQOASA-N 1 0 390.531 4.288 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cnc2onc(C(C)C)c2c1)Cc1ccccc1 ZINC000023197792 570946602 /nfs/dbraw/zinc/94/66/02/570946602.db2.gz KAQNZSVWELPWJB-IBGZPJMESA-N 1 0 394.519 4.029 50 0 GIAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012805905 570948064 /nfs/dbraw/zinc/94/80/64/570948064.db2.gz RLODBYXRKBOUDU-JKSUJKDBSA-N 1 0 385.895 4.018 50 0 GIAARO COc1ccc([C@@H](CNC(=S)Nc2cc(C)cc(C)c2)[NH+]2CCCC2)cc1 ZINC000007583789 570948944 /nfs/dbraw/zinc/94/89/44/570948944.db2.gz YVVUUONKQWUEBY-OAQYLSRUSA-N 1 0 383.561 4.436 50 0 GIAARO CC(C)[NH+]1CCN(C(=O)C[C@H](c2cccc(O)c2)c2ccccc2Cl)CC1 ZINC000019112241 570956722 /nfs/dbraw/zinc/95/67/22/570956722.db2.gz MBIAXUSUQRVQEU-HXUWFJFHSA-N 1 0 386.923 4.120 50 0 GIAARO Cc1ccc(-c2noc(-c3cc(N4CC[NH+](C)CC4)nc4ccccc43)n2)cc1 ZINC000033282526 570957843 /nfs/dbraw/zinc/95/78/43/570957843.db2.gz IZKMGDZPXHZTEK-UHFFFAOYSA-N 1 0 385.471 4.012 50 0 GIAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@H+](CCCC(F)(F)F)C2 ZINC000012092666 570958592 /nfs/dbraw/zinc/95/85/92/570958592.db2.gz FPFWREPGEPBOJS-SFHVURJKSA-N 1 0 390.396 4.122 50 0 GIAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000252477863 570966316 /nfs/dbraw/zinc/96/63/16/570966316.db2.gz WQYVKMTWYWANPX-IRXDYDNUSA-N 1 0 375.488 4.238 50 0 GIAARO CCOc1ccccc1C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000010653118 570979115 /nfs/dbraw/zinc/97/91/15/570979115.db2.gz ITGQYIWWNVRMCI-UHFFFAOYSA-N 1 0 380.492 4.029 50 0 GIAARO Clc1ccccc1CN1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019361687 570979486 /nfs/dbraw/zinc/97/94/86/570979486.db2.gz VZISAOOGZSUBFG-UHFFFAOYSA-N 1 0 383.967 4.122 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)n(-c2ccc(C)cc2)n1 ZINC000015481954 570988825 /nfs/dbraw/zinc/98/88/25/570988825.db2.gz UPDYBRUAWHZSNJ-MRXNPFEDSA-N 1 0 382.895 4.432 50 0 GIAARO O=C(c1cc(-c2ccccc2)no1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095356365 571052470 /nfs/dbraw/zinc/05/24/70/571052470.db2.gz IZEJIWQLBNXLCG-TZIWHRDSSA-N 1 0 387.483 4.078 50 0 GIAARO Cc1c2cc(F)ccc2[nH]c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095368179 571059358 /nfs/dbraw/zinc/05/93/58/571059358.db2.gz MSRYTCYFFGPZOC-FXAWDEMLSA-N 1 0 378.495 4.107 50 0 GIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3c(C)noc3C)C2)c(C)c1 ZINC000095498754 571075280 /nfs/dbraw/zinc/07/52/80/571075280.db2.gz XREWWVYOZPYTCO-SFHVURJKSA-N 1 0 385.508 4.239 50 0 GIAARO CCc1ccc(C(=O)N(CC)C[C@@H]2CCC[N@H+](CCc3cccc(F)c3)C2)[nH]1 ZINC000095510502 571081673 /nfs/dbraw/zinc/08/16/73/571081673.db2.gz GXEQUHNODPFBKZ-LJQANCHMSA-N 1 0 385.527 4.133 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1ccn(C(C)(C)C)c1 ZINC000095518247 571085091 /nfs/dbraw/zinc/08/50/91/571085091.db2.gz BARSNXKYICPNPO-IBGZPJMESA-N 1 0 399.554 4.409 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CC=CC1 ZINC000095521919 571087573 /nfs/dbraw/zinc/08/75/73/571087573.db2.gz BFLWBQKPSRUFCR-SFHVURJKSA-N 1 0 394.481 4.385 50 0 GIAARO O=C(N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1)N1CCCC1 ZINC000095521903 571087734 /nfs/dbraw/zinc/08/77/34/571087734.db2.gz JEEODYPTEKIVRB-OAQYLSRUSA-N 1 0 384.568 4.144 50 0 GIAARO COc1ccc(NC(=O)NC[C@H]2C[N@H+](CC3CC3)CC23CCCCC3)cc1F ZINC000409420525 823220635 /nfs/dbraw/zinc/22/06/35/823220635.db2.gz YBMPCTBXZMMLAX-KRWDZBQOSA-N 1 0 389.515 4.248 50 0 GIAARO CCCSc1nc2sc3c(c2c(NCC[NH+](C)C)n1)C[C@](C)(CC)OC3 ZINC000002417139 817388250 /nfs/dbraw/zinc/38/82/50/817388250.db2.gz FOBHOWINECOLRX-IBGZPJMESA-N 1 0 394.610 4.408 50 0 GIAARO COCCN(C(=S)Nc1cc(Cl)ccc1C)C1CC[NH+](C(C)C)CC1 ZINC000002933484 817406886 /nfs/dbraw/zinc/40/68/86/817406886.db2.gz GFYUIGDXRJOTOL-UHFFFAOYSA-N 1 0 383.989 4.166 50 0 GIAARO COc1ccc(NC(=S)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000003211483 817422040 /nfs/dbraw/zinc/42/20/40/817422040.db2.gz PRNFUCRCPWUKRP-KBXCAEBGSA-N 1 0 375.563 4.269 50 0 GIAARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccc(CC(C)C)cc1)[N@H+](C)CC3)OCO2 ZINC000004029515 817497294 /nfs/dbraw/zinc/49/72/94/817497294.db2.gz OVAVSXLWDUCRCT-VQTJNVASSA-N 1 0 397.515 4.275 50 0 GIAARO COc1cc([C@@H](C)[NH2+]Cc2ccc(C3CC3)cc2)ccc1S(=O)(=O)C(F)F ZINC000188722916 823293294 /nfs/dbraw/zinc/29/32/94/823293294.db2.gz UOHWYVFNZGXOMP-CYBMUJFWSA-N 1 0 395.471 4.420 50 0 GIAARO CCc1nc(C)c(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]1 ZINC000011664040 818106428 /nfs/dbraw/zinc/10/64/28/818106428.db2.gz AXXGNJRCHLUPRY-LJQANCHMSA-N 1 0 388.987 4.320 50 0 GIAARO CN(Cc1ccccn1)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821139 818124128 /nfs/dbraw/zinc/12/41/28/818124128.db2.gz OXTGAXYRXHUPOJ-LJQANCHMSA-N 1 0 391.481 4.487 50 0 GIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(C[C@@H]3C(=O)NCc3cccc(C)n3)CC2)o1 ZINC000012160678 818144067 /nfs/dbraw/zinc/14/40/67/818144067.db2.gz JQWWYMLULJMXLR-LAUBAEHRSA-N 1 0 395.547 4.204 50 0 GIAARO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1OC ZINC000012191797 818146252 /nfs/dbraw/zinc/14/62/52/818146252.db2.gz NQYPKWXGCLSBGJ-JOCHJYFZSA-N 1 0 389.923 4.174 50 0 GIAARO C[N@H+](C1CCCCC1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012218845 818147542 /nfs/dbraw/zinc/14/75/42/818147542.db2.gz CBRFPSJPALDKEF-QGZVFWFLSA-N 1 0 392.927 4.214 50 0 GIAARO O=C(/C=C/c1cccnc1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012429235 818158421 /nfs/dbraw/zinc/15/84/21/818158421.db2.gz RSJCYBAKHPGXQW-CJZRDCOESA-N 1 0 389.543 4.042 50 0 GIAARO O=C(/C=C/c1cccnc1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012429234 818158437 /nfs/dbraw/zinc/15/84/37/818158437.db2.gz RSJCYBAKHPGXQW-ZEWVGQQJSA-N 1 0 389.543 4.042 50 0 GIAARO Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000012458296 818161619 /nfs/dbraw/zinc/16/16/19/818161619.db2.gz DQZYTKMEEFDMDB-KRWDZBQOSA-N 1 0 379.479 4.257 50 0 GIAARO Cc1cccc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1 ZINC000014975358 818279624 /nfs/dbraw/zinc/27/96/24/818279624.db2.gz AMOUFUQETJNRCM-UHFFFAOYSA-N 1 0 388.515 4.210 50 0 GIAARO O=C(c1cc2ccccc2[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000015066368 818286848 /nfs/dbraw/zinc/28/68/48/818286848.db2.gz QIPHCXXIQMMDMR-DEOSSOPVSA-N 1 0 391.490 4.435 50 0 GIAARO COc1ccc2cc(-c3n[nH]cc3CN3CC[N@H+](C)C[C@@H]3C(C)C)ccc2c1 ZINC000020208956 818616768 /nfs/dbraw/zinc/61/67/68/818616768.db2.gz WVDZMJIQRAIVRL-JOCHJYFZSA-N 1 0 378.520 4.011 50 0 GIAARO Cc1ccc(/C=C/C(=O)NCCN2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000020241340 818617628 /nfs/dbraw/zinc/61/76/28/818617628.db2.gz LUHSUUOGVHQADD-UTXUYHSBSA-N 1 0 397.607 4.099 50 0 GIAARO COCc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)[C@H]3CCCc4ccccc43)c2)n1 ZINC000020235952 818617768 /nfs/dbraw/zinc/61/77/68/818617768.db2.gz WHLMLCCYCDJMDH-QFIPXVFZSA-N 1 0 389.499 4.093 50 0 GIAARO Cc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CC[C@H](c4ccccc4Cl)C3)c2)n1 ZINC000020256449 818617822 /nfs/dbraw/zinc/61/78/22/818617822.db2.gz KONHOJDMNFHHMX-SFHVURJKSA-N 1 0 379.891 4.388 50 0 GIAARO Cc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCCCCC3)s2)c1 ZINC000020576802 818626035 /nfs/dbraw/zinc/62/60/35/818626035.db2.gz XTXATNWTZWVJKS-UHFFFAOYSA-N 1 0 381.549 4.307 50 0 GIAARO CC(C)Cn1cc(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c2ccccc2c1=O ZINC000020941500 818642566 /nfs/dbraw/zinc/64/25/66/818642566.db2.gz QOFDJHWDDCKSKX-SFHVURJKSA-N 1 0 398.551 4.044 50 0 GIAARO CC(C)CCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021146411 818658979 /nfs/dbraw/zinc/65/89/79/818658979.db2.gz NKFRRNHHDDWFNN-RPBOFIJWSA-N 1 0 397.559 4.435 50 0 GIAARO CC(C)CC[C@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170114 818660885 /nfs/dbraw/zinc/66/08/85/818660885.db2.gz PWIDABSTYCVTRN-ZEQRLZLVSA-N 1 0 383.532 4.132 50 0 GIAARO COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCC[NH+](C)C ZINC000021798194 818738127 /nfs/dbraw/zinc/73/81/27/818738127.db2.gz XORPKEMSPFZHDN-UHFFFAOYSA-N 1 0 387.487 4.070 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCc2cc(Br)ccc21 ZINC000058162630 823365893 /nfs/dbraw/zinc/36/58/93/823365893.db2.gz UICSGZNGTQOGCW-OAHLLOKOSA-N 1 0 394.357 4.176 50 0 GIAARO C[NH+]1CCN(CCO[C@@H](c2cccc(Cl)c2)c2ccccc2Cl)CC1 ZINC000022593996 818831266 /nfs/dbraw/zinc/83/12/66/818831266.db2.gz DMMOWZUZNGIYOL-FQEVSTJZSA-N 1 0 379.331 4.347 50 0 GIAARO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(N2CCOC2=O)cc1 ZINC000122872921 823426700 /nfs/dbraw/zinc/42/67/00/823426700.db2.gz BIGVIYMFOXRQBY-MRXNPFEDSA-N 1 0 396.487 4.043 50 0 GIAARO COc1ccc2cc([C@H](C)C(=O)NCC[N@@H+]3CCc4ccccc4C3)ccc2c1 ZINC000031338416 820796096 /nfs/dbraw/zinc/79/60/96/820796096.db2.gz FYMVHMAEFYJWIE-SFHVURJKSA-N 1 0 388.511 4.126 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)CCc1c(C)noc1C)c1ccccc1Cl ZINC000032316629 820913919 /nfs/dbraw/zinc/91/39/19/820913919.db2.gz PAOKWGRXWBWGBR-IBGZPJMESA-N 1 0 377.916 4.077 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCC(=O)c1ccccc1 ZINC000040107143 821139466 /nfs/dbraw/zinc/13/94/66/821139466.db2.gz IFGXXQCSQUSYHR-LJQANCHMSA-N 1 0 378.516 4.340 50 0 GIAARO CC(=O)c1cc(CCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)oc1C ZINC000040107138 821139539 /nfs/dbraw/zinc/13/95/39/821139539.db2.gz NQCLJMUVEAGCBS-QGZVFWFLSA-N 1 0 396.531 4.414 50 0 GIAARO O[C@@H](C[NH2+]Cc1c(C2CC2)nc2sccn12)c1c(Cl)cccc1Cl ZINC000181836462 822012407 /nfs/dbraw/zinc/01/24/07/822012407.db2.gz LQBHVVKXDTVWOF-AWEZNQCLSA-N 1 0 382.316 4.403 50 0 GIAARO C[N@H+](Cc1cccs1)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048306473 822652722 /nfs/dbraw/zinc/65/27/22/822652722.db2.gz IQAYTPSQGUVMEL-UHFFFAOYSA-N 1 0 388.496 4.192 50 0 GIAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4nonc43)C2)c1 ZINC000055197366 822945100 /nfs/dbraw/zinc/94/51/00/822945100.db2.gz HNDMMIXOWHWFBJ-SFHVURJKSA-N 1 0 379.460 4.105 50 0 GIAARO C[N@H+](Cc1ccc(Cl)c2cccnc12)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191770363 823762109 /nfs/dbraw/zinc/76/21/09/823762109.db2.gz KQDWMCVOMFMWFX-HXUWFJFHSA-N 1 0 379.891 4.121 50 0 GIAARO COc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(-c4noc(C5CC5)n4)cc3)C2)c1 ZINC000169776864 823915745 /nfs/dbraw/zinc/91/57/45/823915745.db2.gz AGBUGNPENHMING-NRFANRHFSA-N 1 0 391.471 4.276 50 0 GIAARO COc1ccccc1C(=O)N1CCCCC[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000169775154 823915772 /nfs/dbraw/zinc/91/57/72/823915772.db2.gz YZDZDLIIOJWSMM-NRFANRHFSA-N 1 0 378.516 4.138 50 0 GIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)c2ncoc2-c2cccc(C)c2)C1 ZINC000575547956 823976025 /nfs/dbraw/zinc/97/60/25/823976025.db2.gz BFXTWZFIJNGAHW-SFHVURJKSA-N 1 0 376.460 4.120 50 0 GIAARO Fc1cccc(C[N@@H+]2CCC[C@H](c3nc(CCOCC4CCCC4)no3)C2)c1 ZINC000575559797 823977573 /nfs/dbraw/zinc/97/75/73/823977573.db2.gz RZBUPIKLIZUGLI-IBGZPJMESA-N 1 0 387.499 4.338 50 0 GIAARO CN(Cc1ccoc1)C(=O)c1cccc(-c2ccccc2OCC[NH+](C)C)c1 ZINC000426580966 231244060 /nfs/dbraw/zinc/24/40/60/231244060.db2.gz PABKSFQGSDEMRE-UHFFFAOYSA-N 1 0 378.472 4.159 50 0 GIAARO CC(C)Sc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000002398139 203941367 /nfs/dbraw/zinc/94/13/67/203941367.db2.gz HDZJLFIEXUVQFV-UHFFFAOYSA-N 1 0 394.610 4.407 50 0 GIAARO CC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000004359585 204041102 /nfs/dbraw/zinc/04/11/02/204041102.db2.gz XMGXEMVLEHFKQJ-UHFFFAOYSA-N 1 0 399.491 4.237 50 0 GIAARO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000003381035 204003024 /nfs/dbraw/zinc/00/30/24/204003024.db2.gz UHZQVPWZXXLSNV-SFHVURJKSA-N 1 0 382.529 4.224 50 0 GIAARO Cc1cccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000003381032 204003295 /nfs/dbraw/zinc/00/32/95/204003295.db2.gz UHZQVPWZXXLSNV-GOSISDBHSA-N 1 0 382.529 4.224 50 0 GIAARO CC[N@@H+]1CCC[C@@H]1CNc1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000003413045 204005163 /nfs/dbraw/zinc/00/51/63/204005163.db2.gz GBXWRYISCNUCOW-OAHLLOKOSA-N 1 0 379.533 4.138 50 0 GIAARO COc1ccc(Cl)cc1NC(=S)N(CC[NH+](C)C)Cc1cccs1 ZINC000003665403 204017845 /nfs/dbraw/zinc/01/78/45/204017845.db2.gz FLPOZJRCTDDWBI-UHFFFAOYSA-N 1 0 383.970 4.171 50 0 GIAARO COc1ccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2ccco2)cc1 ZINC000003665513 204018560 /nfs/dbraw/zinc/01/85/60/204018560.db2.gz WAEJDFICMZGGLU-UHFFFAOYSA-N 1 0 387.549 4.363 50 0 GIAARO CC[NH+](CC)CCOC(=O)[C@@H](Cc1cccc2ccccc21)C[C@@H]1CCCO1 ZINC000003831171 204019027 /nfs/dbraw/zinc/01/90/27/204019027.db2.gz KBAFPSLPKGSANY-VXKWHMMOSA-N 1 0 383.532 4.453 50 0 world GIAARO Cc1cccc([N+]2=C3CCCCN3[C@](O)(c3ccc(Br)cc3)C2)c1 ZINC000004086838 204026706 /nfs/dbraw/zinc/02/67/06/204026706.db2.gz CGTFXLGAGQUUDZ-HXUWFJFHSA-N 1 0 386.313 4.018 50 0 GIAARO CSc1ccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004703455 204066997 /nfs/dbraw/zinc/06/69/97/204066997.db2.gz POEYTQNZCLNHEY-UHFFFAOYSA-N 1 0 381.589 4.195 50 0 GIAARO CSc1ccc(C[NH+]2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000004712140 204067421 /nfs/dbraw/zinc/06/74/21/204067421.db2.gz OIWNZSOBJYBZIG-UHFFFAOYSA-N 1 0 399.579 4.334 50 0 GIAARO COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000004749152 204073321 /nfs/dbraw/zinc/07/33/21/204073321.db2.gz VNQLQJUVLSVMGX-UHFFFAOYSA-N 1 0 394.302 4.006 50 0 GIAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(I)c1OC ZINC000004857707 204083644 /nfs/dbraw/zinc/08/36/44/204083644.db2.gz RTRHYTOPLHZHEF-LBPRGKRZSA-N 1 0 397.256 4.159 50 0 GIAARO COc1cccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@H]3C)CC2)c1 ZINC000004668285 204061694 /nfs/dbraw/zinc/06/16/94/204061694.db2.gz FOGLTNKIXDBLGA-UZLBHIALSA-N 1 0 375.582 4.367 50 0 GIAARO CCSc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)C[C@@](C)(CC)OC3 ZINC000005151012 204114672 /nfs/dbraw/zinc/11/46/72/204114672.db2.gz VBVYCPRYULAWQC-LJQANCHMSA-N 1 0 394.610 4.408 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(C)ccc3C)C[C@H]21 ZINC000004957104 204095899 /nfs/dbraw/zinc/09/58/99/204095899.db2.gz YEWIKRXSSXTQFP-OAQYLSRUSA-N 1 0 391.515 4.277 50 0 GIAARO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[NH+]4CCCCCC4)sc3c2c1 ZINC000004950675 204096199 /nfs/dbraw/zinc/09/61/99/204096199.db2.gz GMOKTSZNWLYWCW-UHFFFAOYSA-N 1 0 397.544 4.047 50 0 GIAARO Cc1cccc(C)c1NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000004961489 204097386 /nfs/dbraw/zinc/09/73/86/204097386.db2.gz ITRUQFJAGKTJNN-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000004992088 204100589 /nfs/dbraw/zinc/10/05/89/204100589.db2.gz NUFHCSYAXGZYBF-UHFFFAOYSA-N 1 0 378.451 4.039 50 0 GIAARO CCOP(=O)(C[C@H](C[NH+](CC)CC)P(=O)(OCC)OCC)OCC ZINC000005008582 204102616 /nfs/dbraw/zinc/10/26/16/204102616.db2.gz AVHBHKKCJZBRQJ-HNNXBMFYSA-N 1 0 387.394 4.229 50 0 GIAARO COc1ccc(Cl)cc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005041536 204105866 /nfs/dbraw/zinc/10/58/66/204105866.db2.gz MQAVZUUSCVIVGZ-UHFFFAOYSA-N 1 0 389.952 4.300 50 0 GIAARO COc1ccc([C@@H](CNC(=S)Nc2ccc(C(C)=O)cc2)[NH+]2CCCC2)cc1 ZINC000005689792 204148105 /nfs/dbraw/zinc/14/81/05/204148105.db2.gz AOCGNYUDAHXSAW-OAQYLSRUSA-N 1 0 397.544 4.021 50 0 GIAARO Cc1ccc(C[N@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)o1 ZINC000006082990 204164181 /nfs/dbraw/zinc/16/41/81/204164181.db2.gz ALFNPRBMXJTCFF-ZJSXRUAMSA-N 1 0 379.500 4.495 50 0 GIAARO CC[NH+](CC)CCNc1nc(-n2nc(C)cc2C)nc2sc3c(c21)CCCC3 ZINC000005561707 204139575 /nfs/dbraw/zinc/13/95/75/204139575.db2.gz USAGLCPGHHWIMG-UHFFFAOYSA-N 1 0 398.580 4.126 50 0 GIAARO COc1ccc(C[NH+]2CCC(c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)cc1 ZINC000005625623 204142495 /nfs/dbraw/zinc/14/24/95/204142495.db2.gz WFZPPZBKFVRACI-UHFFFAOYSA-N 1 0 377.488 4.474 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(C2SCCS2)cc1 ZINC000005704763 204146996 /nfs/dbraw/zinc/14/69/96/204146996.db2.gz BNQPYIDKNVYMJA-QGZVFWFLSA-N 1 0 388.558 4.325 50 0 GIAARO O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000006869775 204217605 /nfs/dbraw/zinc/21/76/05/204217605.db2.gz ZLCIHTVEYKPGPB-IBGZPJMESA-N 1 0 395.528 4.289 50 0 GIAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000006877203 204218915 /nfs/dbraw/zinc/21/89/15/204218915.db2.gz RDSRPSMKDHHBPT-UHFFFAOYSA-N 1 0 394.357 4.425 50 0 GIAARO CCOCCC[NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000006536930 204182154 /nfs/dbraw/zinc/18/21/54/204182154.db2.gz ZBTIVTPZMLROGN-LJQANCHMSA-N 1 0 376.884 4.045 50 0 GIAARO CC[NH+](CC)[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccccc1 ZINC000006652135 204189513 /nfs/dbraw/zinc/18/95/13/204189513.db2.gz KYRMQSAUVZPSGV-FQEVSTJZSA-N 1 0 396.922 4.381 50 0 GIAARO Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(C1CC(C)(C)[NH2+]C(C)(C)C1)CO2 ZINC000006755648 204200988 /nfs/dbraw/zinc/20/09/88/204200988.db2.gz NOKCDWHLVDKRFV-UHFFFAOYSA-N 1 0 396.531 4.051 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CCc1nc2ccccc2s1 ZINC000007945881 204255230 /nfs/dbraw/zinc/25/52/30/204255230.db2.gz MCWZPWLRZVSREF-UHFFFAOYSA-N 1 0 381.545 4.387 50 0 GIAARO CCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000008602083 204281063 /nfs/dbraw/zinc/28/10/63/204281063.db2.gz VEAHIDZEWCWTII-UHFFFAOYSA-N 1 0 389.543 4.428 50 0 GIAARO CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(C)cc2)CC1 ZINC000008607043 204281313 /nfs/dbraw/zinc/28/13/13/204281313.db2.gz VHYOBKVLEYWKNM-UHFFFAOYSA-N 1 0 389.543 4.346 50 0 GIAARO COc1ccc([C@@H](CNC(=O)Cc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000008038506 204260362 /nfs/dbraw/zinc/26/03/62/204260362.db2.gz SHRMCPUYMSPURX-OAQYLSRUSA-N 1 0 386.923 4.235 50 0 GIAARO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008150741 204263050 /nfs/dbraw/zinc/26/30/50/204263050.db2.gz UTUASHKNRICHSN-TZIWHRDSSA-N 1 0 397.515 4.158 50 0 GIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(=O)n3c(C)csc3n2)cc1 ZINC000008157251 204264542 /nfs/dbraw/zinc/26/45/42/204264542.db2.gz WFMUNHWTCOWRRC-IBGZPJMESA-N 1 0 383.517 4.190 50 0 GIAARO Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1F ZINC000008310430 204270848 /nfs/dbraw/zinc/27/08/48/204270848.db2.gz ILWKGFXXUBXKCC-LJQANCHMSA-N 1 0 384.451 4.071 50 0 GIAARO O=C(Nc1ccc(F)cc1)c1cnn(-c2ccccc2Cl)c1C1CC[NH2+]CC1 ZINC000009227352 204303780 /nfs/dbraw/zinc/30/37/80/204303780.db2.gz IRUZOMYDTHAFFK-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2coc(-c3cccs3)n2)cc1 ZINC000009388887 204310408 /nfs/dbraw/zinc/31/04/08/204310408.db2.gz MLDFMVBYVWHJFZ-UHFFFAOYSA-N 1 0 398.532 4.244 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000009537045 204316023 /nfs/dbraw/zinc/31/60/23/204316023.db2.gz LSDYFRPARCZGDQ-UHFFFAOYSA-N 1 0 391.462 4.129 50 0 GIAARO COc1ccccc1C[N@H+](C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000009579363 204316900 /nfs/dbraw/zinc/31/69/00/204316900.db2.gz BGCUUEBDJLPSOI-HSZRJFAPSA-N 1 0 391.511 4.294 50 0 GIAARO CC(C)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000010035938 204329359 /nfs/dbraw/zinc/32/93/59/204329359.db2.gz KYBRAAHFNVQRGW-JOCHJYFZSA-N 1 0 383.511 4.487 50 0 GIAARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccccc3)C[C@H]21 ZINC000010214288 204331762 /nfs/dbraw/zinc/33/17/62/204331762.db2.gz KSPRUWHFUJMEQA-HXUWFJFHSA-N 1 0 377.488 4.051 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2c[nH]cn2)Cc2cccnc2)CC1 ZINC000011661334 204347776 /nfs/dbraw/zinc/34/77/76/204347776.db2.gz NOMYBKRKTHRZRE-UHFFFAOYSA-N 1 0 389.547 4.028 50 0 GIAARO CCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C(C)C ZINC000011565847 204347885 /nfs/dbraw/zinc/34/78/85/204347885.db2.gz LROADLABDHRNFP-UHFFFAOYSA-N 1 0 396.597 4.186 50 0 GIAARO CCCn1ncc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c1C ZINC000011764266 204352824 /nfs/dbraw/zinc/35/28/24/204352824.db2.gz DASNEJJBJISDCW-XMMPIXPASA-N 1 0 394.563 4.038 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccco2)CC1 ZINC000011842785 204356743 /nfs/dbraw/zinc/35/67/43/204356743.db2.gz YLSWOPYVSFLFLB-JOCHJYFZSA-N 1 0 396.531 4.121 50 0 GIAARO COc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000011874307 204359214 /nfs/dbraw/zinc/35/92/14/204359214.db2.gz QDSQAMLKBUJIRK-OAQYLSRUSA-N 1 0 393.886 4.011 50 0 GIAARO COc1ccc2c(C)nc(N3CCC([NH2+][C@H](C)Cc4ccsc4)CC3)nc2c1 ZINC000011870605 204359703 /nfs/dbraw/zinc/35/97/03/204359703.db2.gz CAPIJDTXYPPHBZ-OAHLLOKOSA-N 1 0 396.560 4.198 50 0 GIAARO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000011880008 204361505 /nfs/dbraw/zinc/36/15/05/204361505.db2.gz KRKLAYZCCWBOTD-JOCHJYFZSA-N 1 0 388.458 4.135 50 0 GIAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000011955068 204365105 /nfs/dbraw/zinc/36/51/05/204365105.db2.gz KAUKPKBUNFOVMC-XMMPIXPASA-N 1 0 393.506 4.137 50 0 GIAARO C[C@@H](COc1ccccc1)[NH+]1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000012051989 204368839 /nfs/dbraw/zinc/36/88/39/204368839.db2.gz QHBTZNSJNKXWRA-IBGZPJMESA-N 1 0 398.522 4.402 50 0 GIAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cn1 ZINC000012054183 204369608 /nfs/dbraw/zinc/36/96/08/204369608.db2.gz HYVQXLWMLVANDD-RUZDIDTESA-N 1 0 387.527 4.269 50 0 GIAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000011092916 204343369 /nfs/dbraw/zinc/34/33/69/204343369.db2.gz HJLSIHSGLKSFEG-JLTOFOAXSA-N 1 0 388.895 4.425 50 0 GIAARO OCC1(CCCc2ccccc2)CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012194960 204381444 /nfs/dbraw/zinc/38/14/44/204381444.db2.gz JKCQEDGSTDRSGO-UHFFFAOYSA-N 1 0 381.516 4.055 50 0 GIAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]CCOc2cccnc2)o1 ZINC000012193137 204381745 /nfs/dbraw/zinc/38/17/45/204381745.db2.gz PLOMEUXIEWTESM-UHFFFAOYSA-N 1 0 392.434 4.143 50 0 GIAARO COC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1 ZINC000012200823 204382613 /nfs/dbraw/zinc/38/26/13/204382613.db2.gz UCUFHAJPUPGIQQ-IBGZPJMESA-N 1 0 391.515 4.406 50 0 GIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000012208975 204384373 /nfs/dbraw/zinc/38/43/73/204384373.db2.gz UEYHSBBHGJNXCE-QGZVFWFLSA-N 1 0 389.927 4.384 50 0 GIAARO COc1cccc(-c2nc(C)c(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)s2)c1 ZINC000012296360 204389376 /nfs/dbraw/zinc/38/93/76/204389376.db2.gz ZLIOQFUWHUSKEL-PKOBYXMFSA-N 1 0 399.560 4.121 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(c3ccccc3F)CC2)c(F)c1 ZINC000012299781 204390580 /nfs/dbraw/zinc/39/05/80/204390580.db2.gz DSMWLDHHEBHJAL-UHFFFAOYSA-N 1 0 398.457 4.122 50 0 GIAARO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)N(CC)CC)C3)c(C)o2)cc1 ZINC000012302402 204390967 /nfs/dbraw/zinc/39/09/67/204390967.db2.gz UKLXFGXRSKHZLD-LJQANCHMSA-N 1 0 399.535 4.129 50 0 GIAARO CN(Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012301664 204391166 /nfs/dbraw/zinc/39/11/66/204391166.db2.gz MVMJCWGCKIHBBQ-SFHVURJKSA-N 1 0 398.501 4.228 50 0 GIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)c(OC)c1 ZINC000012298183 204391379 /nfs/dbraw/zinc/39/13/79/204391379.db2.gz ARAHUQQQCBMNQY-INIZCTEOSA-N 1 0 378.472 4.280 50 0 GIAARO C[C@H]([NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21)c1ccccc1 ZINC000012301426 204391632 /nfs/dbraw/zinc/39/16/32/204391632.db2.gz QNEGDORILRDBGM-IBGZPJMESA-N 1 0 398.510 4.457 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)C2CCC2)CC1 ZINC000012306938 204394067 /nfs/dbraw/zinc/39/40/67/204394067.db2.gz RJNURUMXQGRADK-UHFFFAOYSA-N 1 0 391.559 4.431 50 0 GIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000012305723 204394396 /nfs/dbraw/zinc/39/43/96/204394396.db2.gz AFDQQMFCZLMGSH-FAZYEBOESA-N 1 0 386.499 4.441 50 0 GIAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000012316672 204394842 /nfs/dbraw/zinc/39/48/42/204394842.db2.gz DOUMVTVWZZCOAV-XMMPIXPASA-N 1 0 377.532 4.264 50 0 GIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1Cl ZINC000012320275 204397630 /nfs/dbraw/zinc/39/76/30/204397630.db2.gz YGUGVDPYXMLFQJ-INIZCTEOSA-N 1 0 387.911 4.375 50 0 GIAARO O=C(CSc1nc2ccccc2s1)NCc1ccccc1C[NH+]1CCCC1 ZINC000012751523 204442904 /nfs/dbraw/zinc/44/29/04/204442904.db2.gz VWVABXJMGPLPMD-UHFFFAOYSA-N 1 0 397.569 4.301 50 0 GIAARO COCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000013722223 204506909 /nfs/dbraw/zinc/50/69/09/204506909.db2.gz RZCJXBGKLBZPCF-UHFFFAOYSA-N 1 0 394.309 4.163 50 0 GIAARO CCN(CC[NH+]1CCCC1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000020512025 204723515 /nfs/dbraw/zinc/72/35/15/204723515.db2.gz MSBCTCDEZKGTMC-UHFFFAOYSA-N 1 0 390.531 4.168 50 0 GIAARO COc1ccc(OC)c(NC(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000020889648 204743679 /nfs/dbraw/zinc/74/36/79/204743679.db2.gz DBVOSTAYKZJLFQ-UHFFFAOYSA-N 1 0 397.519 4.046 50 0 GIAARO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1OC ZINC000022074392 204774616 /nfs/dbraw/zinc/77/46/16/204774616.db2.gz KNLPFRGZQZPSLE-UHFFFAOYSA-N 1 0 379.884 4.097 50 0 GIAARO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1C ZINC000022608836 204784191 /nfs/dbraw/zinc/78/41/91/204784191.db2.gz GAWOOJFMODZAJI-XMMPIXPASA-N 1 0 390.527 4.019 50 0 GIAARO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036097262 205004791 /nfs/dbraw/zinc/00/47/91/205004791.db2.gz VACSBJIKEUVPGW-GOSISDBHSA-N 1 0 393.911 4.009 50 0 GIAARO CC[C@@H](C)C[NH2+]CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036094725 205006683 /nfs/dbraw/zinc/00/66/83/205006683.db2.gz AEENEMOEBJOKGN-UZLBHIALSA-N 1 0 386.561 4.197 50 0 in-vitro GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1C ZINC000036344956 205011733 /nfs/dbraw/zinc/01/17/33/205011733.db2.gz WHOYSVQOSVAGLK-JOCHJYFZSA-N 1 0 379.504 4.023 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cc(C)ccc2C)C[C@H]1c1ccccc1OC ZINC000036345355 205012904 /nfs/dbraw/zinc/01/29/04/205012904.db2.gz GHINQDVCUOPYIT-QFIPXVFZSA-N 1 0 393.531 4.332 50 0 GIAARO C[N@H+](Cc1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000036664653 205019821 /nfs/dbraw/zinc/01/98/21/205019821.db2.gz VLYVMDHDOSRCHY-UHFFFAOYSA-N 1 0 394.515 4.404 50 0 GIAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=S)NCCSc1ccccc1 ZINC000036847574 205021048 /nfs/dbraw/zinc/02/10/48/205021048.db2.gz KVCZRSRNUNYCCE-UHFFFAOYSA-N 1 0 387.618 4.283 50 0 GIAARO Fc1ccc(Oc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)c(Cl)c1 ZINC000037357564 205026442 /nfs/dbraw/zinc/02/64/42/205026442.db2.gz RJSNSLBCELVYMO-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCC3)n2Cc2ccccc2C)s1 ZINC000037588226 205030192 /nfs/dbraw/zinc/03/01/92/205030192.db2.gz NNXIJYONEWDALH-UHFFFAOYSA-N 1 0 381.545 4.194 50 0 GIAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000040023983 205046783 /nfs/dbraw/zinc/04/67/83/205046783.db2.gz PBOHFBCPQNUSJS-UHFFFAOYSA-N 1 0 381.476 4.111 50 0 GIAARO CC1CC[NH+](CCCCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000040108369 205053297 /nfs/dbraw/zinc/05/32/97/205053297.db2.gz MZDOWZOZIUBOQS-UHFFFAOYSA-N 1 0 387.499 4.042 50 0 GIAARO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)[nH]c2c1C(=O)CCC2 ZINC000040112370 205054542 /nfs/dbraw/zinc/05/45/42/205054542.db2.gz RBPHLVXRYAQJSI-MRXNPFEDSA-N 1 0 393.531 4.147 50 0 GIAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCCN1CCCC1=O ZINC000040743049 205070623 /nfs/dbraw/zinc/07/06/23/205070623.db2.gz XFOOFZOHEJRIBM-UHFFFAOYSA-N 1 0 386.923 4.330 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040722856 205068562 /nfs/dbraw/zinc/06/85/62/205068562.db2.gz FYYVCTNQDYIMKB-UHFFFAOYSA-N 1 0 390.886 4.160 50 0 GIAARO CCOc1cc(C[NH2+]CCCO)ccc1OCc1c(Cl)cccc1Cl ZINC000040743779 205070859 /nfs/dbraw/zinc/07/08/59/205070859.db2.gz URAPOGSGARBOIW-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741831 205071886 /nfs/dbraw/zinc/07/18/86/205071886.db2.gz PJTNQWHKQKUPFX-GOSISDBHSA-N 1 0 377.912 4.487 50 0 GIAARO CC(C)Cc1cc(=O)[nH]c(-c2ccccc2C[N@H+](C)[C@@H]2CCOC(C)(C)C2)n1 ZINC000048233986 205115140 /nfs/dbraw/zinc/11/51/40/205115140.db2.gz YANKGMMANXHMIK-LJQANCHMSA-N 1 0 383.536 4.025 50 0 GIAARO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccs1 ZINC000048367140 205122089 /nfs/dbraw/zinc/12/20/89/205122089.db2.gz MKRGJHJYJFYREU-UZLBHIALSA-N 1 0 399.560 4.329 50 0 GIAARO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccccn2)CC1 ZINC000054114279 205140437 /nfs/dbraw/zinc/14/04/37/205140437.db2.gz OUWJOVWLFBHTDR-JOCHJYFZSA-N 1 0 377.488 4.236 50 0 GIAARO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000055118984 205142590 /nfs/dbraw/zinc/14/25/90/205142590.db2.gz HXLFFJMYGZXYGH-KRWDZBQOSA-N 1 0 375.472 4.042 50 0 GIAARO CCN(Cc1cccc(C)n1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055254587 205145722 /nfs/dbraw/zinc/14/57/22/205145722.db2.gz FTZBIQOQBQYNHM-JOCHJYFZSA-N 1 0 381.564 4.175 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)n(-c2ccc(C)cc2)n1 ZINC000057553803 205159198 /nfs/dbraw/zinc/15/91/98/205159198.db2.gz RWULGGBRCWIMRY-QHCPKHFHSA-N 1 0 376.504 4.415 50 0 GIAARO Cc1cccc(C(=O)Nc2cccc(NC(=O)CC[C@H]3CCC[N@@H+](C)C3)c2)c1 ZINC000055369873 205146592 /nfs/dbraw/zinc/14/65/92/205146592.db2.gz UPENFYTZVNVBQK-GOSISDBHSA-N 1 0 379.504 4.308 50 0 GIAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057315265 205157003 /nfs/dbraw/zinc/15/70/03/205157003.db2.gz MNEBVQFWLBUAIV-INIZCTEOSA-N 1 0 391.446 4.367 50 0 GIAARO CCc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000057457208 205158023 /nfs/dbraw/zinc/15/80/23/205158023.db2.gz FMOYXLYYMDPDTG-HXUWFJFHSA-N 1 0 391.467 4.464 50 0 GIAARO FC(F)CN1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000057978237 205160539 /nfs/dbraw/zinc/16/05/39/205160539.db2.gz GKFQRBOWBWINPW-UHFFFAOYSA-N 1 0 377.460 4.375 50 0 GIAARO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccn1 ZINC000058003629 205162064 /nfs/dbraw/zinc/16/20/64/205162064.db2.gz SGBVFVDTYLYJCQ-UHFFFAOYSA-N 1 0 381.307 4.374 50 0 GIAARO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/c1ccncc1 ZINC000058009975 205163277 /nfs/dbraw/zinc/16/32/77/205163277.db2.gz UHPYRQGTFQBPPR-FNORWQNLSA-N 1 0 392.330 4.382 50 0 GIAARO C[C@@H](OC[C@@H](O)C[NH2+]Cc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000058160601 205165549 /nfs/dbraw/zinc/16/55/49/205165549.db2.gz GNEPNPIGKRSFBF-CJNGLKHVSA-N 1 0 376.909 4.178 50 0 GIAARO C[C@H](OC[C@@H](O)C[NH2+]Cc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000058160598 205165732 /nfs/dbraw/zinc/16/57/32/205165732.db2.gz GNEPNPIGKRSFBF-BBRMVZONSA-N 1 0 376.909 4.178 50 0 GIAARO CN(C(=O)c1ccc(C(C)(C)C)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000058192728 205168157 /nfs/dbraw/zinc/16/81/57/205168157.db2.gz FRJVTJQCVHOWCI-UHFFFAOYSA-N 1 0 379.548 4.158 50 0 GIAARO C[C@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058391495 205174031 /nfs/dbraw/zinc/17/40/31/205174031.db2.gz ZZDBXWVKFAXYHV-HNNXBMFYSA-N 1 0 390.886 4.027 50 0 GIAARO O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCC[NH+]1CCCCC1 ZINC000064656264 205192168 /nfs/dbraw/zinc/19/21/68/205192168.db2.gz QVPGMHVHUGRBAP-UHFFFAOYSA-N 1 0 385.508 4.111 50 0 GIAARO O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCC[NH+]1CCCC1 ZINC000064657768 205192360 /nfs/dbraw/zinc/19/23/60/205192360.db2.gz KJRLDJCKUNMDPM-UHFFFAOYSA-N 1 0 387.936 4.235 50 0 GIAARO CC[N@@H+]1CCC[C@@H](c2c(-c3ccccc3)ncn2CCc2nncn2C(C)C)C1 ZINC000065372200 205232431 /nfs/dbraw/zinc/23/24/31/205232431.db2.gz QYYZMXNVSMXVQD-HXUWFJFHSA-N 1 0 392.551 4.165 50 0 GIAARO Cc1cc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccc(-c5cc[nH]n5)cc4)c3)C2)[nH]n1 ZINC000065387725 205234005 /nfs/dbraw/zinc/23/40/05/205234005.db2.gz PMDMEPFUQNSGLO-FQEVSTJZSA-N 1 0 384.487 4.160 50 0 GIAARO CC1(C)CC(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)CC(C)(C)[NH2+]1 ZINC000067867378 205264215 /nfs/dbraw/zinc/26/42/15/205264215.db2.gz NDBXXDLHVZTWFI-UHFFFAOYSA-N 1 0 375.463 4.287 50 0 GIAARO CC[C@@H]1CN(Cc2nc(-c3ccc(OC)cc3F)oc2C)CC[N@@H+]1C(C)C ZINC000071661727 205286391 /nfs/dbraw/zinc/28/63/91/205286391.db2.gz KGHFPNZTWYNXSK-MRXNPFEDSA-N 1 0 375.488 4.102 50 0 GIAARO Cc1noc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071751359 205291210 /nfs/dbraw/zinc/29/12/10/205291210.db2.gz ZZJYOHQEZQBHIP-IBGZPJMESA-N 1 0 388.487 4.195 50 0 GIAARO CC[NH+](CC)CCN(Cc1cccs1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000072314832 205325137 /nfs/dbraw/zinc/32/51/37/205325137.db2.gz SCRJYNAVPBJNEY-UHFFFAOYSA-N 1 0 388.512 4.281 50 0 GIAARO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000072453680 205353262 /nfs/dbraw/zinc/35/32/62/205353262.db2.gz BMMSLGHFKVBCNK-FQEVSTJZSA-N 1 0 392.499 4.184 50 0 GIAARO C[NH+]1CCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 ZINC000072481597 205355113 /nfs/dbraw/zinc/35/51/13/205355113.db2.gz UTBUSHYEMAGFHD-UHFFFAOYSA-N 1 0 384.886 4.079 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@H]1CCO ZINC000072410792 205347761 /nfs/dbraw/zinc/34/77/61/205347761.db2.gz DWUYCVQMZVYQEJ-IBGZPJMESA-N 1 0 397.469 4.473 50 0 GIAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCN(C)[C@H](CCO)C2)c1 ZINC000072428360 205348421 /nfs/dbraw/zinc/34/84/21/205348421.db2.gz JXTAFCCKJJCOGL-HSZRJFAPSA-N 1 0 389.543 4.017 50 0 GIAARO Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000078716915 205375401 /nfs/dbraw/zinc/37/54/01/205375401.db2.gz NDZBJFNVCKUCGE-UHFFFAOYSA-N 1 0 377.598 4.477 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000046988667 205666158 /nfs/dbraw/zinc/66/61/58/205666158.db2.gz MIIMBQUBQYUXTG-MRXNPFEDSA-N 1 0 393.369 4.252 50 0 GIAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]CCc2ccncc2)o1 ZINC000020600578 205921657 /nfs/dbraw/zinc/92/16/57/205921657.db2.gz UAJDRWNTDREDNS-UHFFFAOYSA-N 1 0 376.435 4.307 50 0 GIAARO COc1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)c(OC)c1OC ZINC000028925674 206054400 /nfs/dbraw/zinc/05/44/00/206054400.db2.gz WYZIKAWCNGEKCN-LBPRGKRZSA-N 1 0 380.282 4.326 50 0 GIAARO CC1(C)Cc2cccc(C[NH+]3CCC(C(=O)Nc4cccc(F)c4)CC3)c2O1 ZINC000225534866 206054855 /nfs/dbraw/zinc/05/48/55/206054855.db2.gz KDNHAJDTCWQAGR-UHFFFAOYSA-N 1 0 382.479 4.390 50 0 GIAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000225570720 206056898 /nfs/dbraw/zinc/05/68/98/206056898.db2.gz OZHRHJYWVHJRMH-JOCHJYFZSA-N 1 0 380.557 4.301 50 0 GIAARO CCCCCOc1ccc(C(=O)CCC(=O)NC2CC[NH+](CCC)CC2)cc1 ZINC000058218470 206100470 /nfs/dbraw/zinc/10/04/70/206100470.db2.gz IPTIOBRSIORGRE-UHFFFAOYSA-N 1 0 388.552 4.209 50 0 GIAARO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000060369975 206102386 /nfs/dbraw/zinc/10/23/86/206102386.db2.gz GSZUWQNNBHFIIU-LJQANCHMSA-N 1 0 389.499 4.406 50 0 GIAARO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C)s2)C(C)C)c1 ZINC000060042101 206103078 /nfs/dbraw/zinc/10/30/78/206103078.db2.gz UOWIQKBHSXGBSN-MRXNPFEDSA-N 1 0 390.549 4.162 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[NH+]2CCCCC2)cc1 ZINC000032759018 206094961 /nfs/dbraw/zinc/09/49/61/206094961.db2.gz PLTHLILPIJDRSU-QFIPXVFZSA-N 1 0 395.478 4.273 50 0 GIAARO O=C(Nc1ccc(F)cc1)NC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000239619626 206124646 /nfs/dbraw/zinc/12/46/46/206124646.db2.gz BFWDJFOWSSVJGQ-HXUWFJFHSA-N 1 0 389.515 4.294 50 0 GIAARO Cc1csc(N2CC[NH+]([C@@H](c3ccc(Cl)cc3)C3CCOCC3)CC2)n1 ZINC000240555644 206126673 /nfs/dbraw/zinc/12/66/73/206126673.db2.gz GWWJLBPTONSPEG-IBGZPJMESA-N 1 0 391.968 4.395 50 0 GIAARO O[C@]12CCCC[C@H]1[C@H](c1ccc3c(c1)OCO3)[N@H+](Cc1cccc(F)c1)CC2 ZINC000230017942 206109470 /nfs/dbraw/zinc/10/94/70/206109470.db2.gz ORZUIMGMXAQGPX-VJBMBRPKSA-N 1 0 383.463 4.423 50 0 GIAARO CC(=O)N[C@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccs1 ZINC000230206771 206112319 /nfs/dbraw/zinc/11/23/19/206112319.db2.gz MKRGJHJYJFYREU-OXQOHEQNSA-N 1 0 399.560 4.329 50 0 GIAARO CC[NH+](CC)CCc1ccc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1 ZINC000242305044 206129678 /nfs/dbraw/zinc/12/96/78/206129678.db2.gz YUGYTISMXNKWHQ-UHFFFAOYSA-N 1 0 394.519 4.107 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)c3)C2)nc2ccccc21 ZINC000248007719 206135614 /nfs/dbraw/zinc/13/56/14/206135614.db2.gz WEEHETLVLVTAFM-GOSISDBHSA-N 1 0 376.504 4.215 50 0 GIAARO CCCCN(CCCC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000248097096 206136239 /nfs/dbraw/zinc/13/62/39/206136239.db2.gz YIEUHINYTOONIV-IBGZPJMESA-N 1 0 384.568 4.214 50 0 GIAARO CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)nc2ccccc21 ZINC000248162520 206136701 /nfs/dbraw/zinc/13/67/01/206136701.db2.gz MGCATDLDXVVZSO-SFHVURJKSA-N 1 0 382.552 4.278 50 0 GIAARO CCN(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)cn1 ZINC000252478672 206137365 /nfs/dbraw/zinc/13/73/65/206137365.db2.gz ARVZAZASXOOFCS-UHFFFAOYSA-N 1 0 388.515 4.388 50 0 GIAARO CC[C@H](c1ccccn1)N(C)C(=O)c1cccc(-c2ccc(C[NH+](C)C)cn2)c1 ZINC000299767301 206186470 /nfs/dbraw/zinc/18/64/70/206186470.db2.gz QOUNTPOJJIGVBE-HSZRJFAPSA-N 1 0 388.515 4.429 50 0 GIAARO Cc1cccc(-c2ccc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2)c1 ZINC000299766001 206187294 /nfs/dbraw/zinc/18/72/94/206187294.db2.gz AJLFSURIKTYZIX-JOCHJYFZSA-N 1 0 381.520 4.237 50 0 GIAARO Cc1ccc(-c2cccc(C(=O)NC[C@H]3CC[N@@H+](C4CCCCC4)C3)c2)nc1 ZINC000299768725 206187806 /nfs/dbraw/zinc/18/78/06/206187806.db2.gz MGPGIQQHNYAXME-LJQANCHMSA-N 1 0 377.532 4.441 50 0 GIAARO CSCCC[NH2+]C1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 ZINC000299774501 206189055 /nfs/dbraw/zinc/18/90/55/206189055.db2.gz CXSGTZJXXUGXPN-UHFFFAOYSA-N 1 0 375.582 4.127 50 0 GIAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CN1Cc1ccc(Cl)cc1 ZINC000299783981 206190273 /nfs/dbraw/zinc/19/02/73/206190273.db2.gz VZMVGOVYMQVNQZ-SFTDATJTSA-N 1 0 391.987 4.122 50 0 GIAARO Cc1cccc(Cn2c3cc(C)ccc3cc(C[NH2+]Cc3cccnc3)c2=O)c1 ZINC000299793288 206191212 /nfs/dbraw/zinc/19/12/12/206191212.db2.gz IEYWHWFPGXLQTP-UHFFFAOYSA-N 1 0 383.495 4.351 50 0 GIAARO CC[NH+](CC)CCCNC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1 ZINC000001536782 206212191 /nfs/dbraw/zinc/21/21/91/206212191.db2.gz PRHCHMGCDBUACR-UHFFFAOYSA-N 1 0 390.531 4.065 50 0 in-man GIAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2cccnc2)cs1 ZINC000004916288 206214837 /nfs/dbraw/zinc/21/48/37/206214837.db2.gz DHPKYRLRVIBWPE-BLLLJJGKSA-N 1 0 382.411 4.212 50 0 GIAARO COc1cc2c(cc1C[N@@H+]1CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]13)CCC2 ZINC000426372125 533156142 /nfs/dbraw/zinc/15/61/42/533156142.db2.gz PTWHHSGGIDQADA-YFNKSVMNSA-N 1 0 385.548 4.123 50 0 GIAARO C[NH+](C)CCCN(C(=O)Cc1cccs1)c1nc2ccc(F)cc2s1 ZINC000010061690 221096195 /nfs/dbraw/zinc/09/61/95/221096195.db2.gz MDGROIYCSGMULF-UHFFFAOYSA-N 1 0 377.510 4.024 50 0 GIAARO COc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1O ZINC000012093423 221150444 /nfs/dbraw/zinc/15/04/44/221150444.db2.gz BCOQJVFTNLTTLN-OAQYLSRUSA-N 1 0 382.548 4.096 50 0 GIAARO CCc1ccc(-c2noc(CCC(=O)NCC3([NH+](C)C)CCCCCC3)n2)cc1 ZINC000012819426 221237133 /nfs/dbraw/zinc/23/71/33/221237133.db2.gz PFBMVZDAXBBQMU-UHFFFAOYSA-N 1 0 398.551 4.002 50 0 GIAARO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040104064 132396052 /nfs/dbraw/zinc/39/60/52/132396052.db2.gz VAYDTMXHHXVSQW-MRXNPFEDSA-N 1 0 386.927 4.317 50 0 GIAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)N(Cc1ccsc1)C1CC1 ZINC000426506614 534325122 /nfs/dbraw/zinc/32/51/22/534325122.db2.gz KBVWMZNWYASMKJ-UHFFFAOYSA-N 1 0 383.561 4.302 50 0 GIAARO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000032729830 526596417 /nfs/dbraw/zinc/59/64/17/526596417.db2.gz BZQOXAKAFWGBQK-JOCHJYFZSA-N 1 0 377.463 4.229 50 0 GIAARO CCc1cnc(C)nc1N1CCC([NH2+][C@H](CC(C)(C)C)c2cccnc2)CC1 ZINC000096137823 536020078 /nfs/dbraw/zinc/02/00/78/536020078.db2.gz BPRUKUOFINJDNC-OAQYLSRUSA-N 1 0 381.568 4.478 50 0 GIAARO CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](CCc2cccs2)CC1 ZINC000000538386 560126157 /nfs/dbraw/zinc/12/61/57/560126157.db2.gz GGCSSNBKKAUURC-UHFFFAOYSA-N 1 0 386.561 4.215 50 0 biogenic,fda GIAARO O=C(Nc1cccc(OC(F)F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000047908555 570216172 /nfs/dbraw/zinc/21/61/72/570216172.db2.gz UCBKNBLDUSSLOC-UHFFFAOYSA-N 1 0 375.419 4.074 50 0 GIAARO COc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c(OC)c1 ZINC000019841184 570224834 /nfs/dbraw/zinc/22/48/34/570224834.db2.gz SPRXOSQTFVSNOC-UHFFFAOYSA-N 1 0 376.500 4.175 50 0 GIAARO O=C(Nc1ccccc1Cl)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020117778 570241700 /nfs/dbraw/zinc/24/17/00/570241700.db2.gz LLAHWOJESNUDMN-LJQANCHMSA-N 1 0 398.938 4.159 50 0 GIAARO CC[C@H](C)Oc1ccccc1NC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000097547589 570246151 /nfs/dbraw/zinc/24/61/51/570246151.db2.gz VUPNAKRCBKNHTQ-SFHVURJKSA-N 1 0 382.508 4.312 50 0 GIAARO Cc1ncc(C[NH2+]CC2(N(C)Cc3ccccc3)Cc3ccccc3C2)s1 ZINC000020207525 570248244 /nfs/dbraw/zinc/24/82/44/570248244.db2.gz QFHIADXSCVWODY-UHFFFAOYSA-N 1 0 377.557 4.211 50 0 GIAARO CC[NH+](CC)[C@H](CNc1nnc(-c2ccccc2)nn1)c1ccccc1Cl ZINC000012822127 570250964 /nfs/dbraw/zinc/25/09/64/570250964.db2.gz BNHUCKZQZOXLOR-GOSISDBHSA-N 1 0 382.899 4.082 50 0 GIAARO Cc1ncoc1C(=O)N1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000020271690 570251123 /nfs/dbraw/zinc/25/11/23/570251123.db2.gz VSILYSISQDECDV-MJGOQNOKSA-N 1 0 395.528 4.324 50 0 GIAARO CCN(CCNC(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1)c1cccc(C)c1 ZINC000097756509 570252885 /nfs/dbraw/zinc/25/28/85/570252885.db2.gz UXUCNYXXBAEGIT-IBGZPJMESA-N 1 0 383.536 4.391 50 0 GIAARO CCOc1c(C[NH2+]CCc2ccccc2F)cc(Br)cc1OC ZINC000020476743 570260994 /nfs/dbraw/zinc/26/09/94/570260994.db2.gz WZIYQQFYTBWUJX-UHFFFAOYSA-N 1 0 382.273 4.328 50 0 GIAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](CC4CCCC4)C3)CC2)c1 ZINC000020539145 570266236 /nfs/dbraw/zinc/26/62/36/570266236.db2.gz ICHVNAMBASXGKY-NRFANRHFSA-N 1 0 395.513 4.482 50 0 GIAARO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000012864709 570268938 /nfs/dbraw/zinc/26/89/38/570268938.db2.gz BAFWSQRYIPPPKP-GFCCVEGCSA-N 1 0 382.382 4.012 50 0 GIAARO Clc1cccc(C[N@@H+]2CCC[C@@H](c3nc4c5ccccc5ncn4n3)C2)c1 ZINC000020613945 570272176 /nfs/dbraw/zinc/27/21/76/570272176.db2.gz ATILTUOVPOZEQR-MRXNPFEDSA-N 1 0 377.879 4.311 50 0 GIAARO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc2ccccc21 ZINC000000644766 570279958 /nfs/dbraw/zinc/27/99/58/570279958.db2.gz DNGIRVMIESHEGA-IBGZPJMESA-N 1 0 375.492 4.011 50 0 GIAARO COc1ccc2[nH]c(C)c(CC[NH2+]C[C@H](C)Cc3ccc4c(c3)OCO4)c2c1 ZINC000002513595 570289173 /nfs/dbraw/zinc/28/91/73/570289173.db2.gz WXKCLGABIUMQDF-OAHLLOKOSA-N 1 0 380.488 4.225 50 0 GIAARO COc1ccc(-c2cn3c([n+]2-c2ccc(OC(F)F)cc2)CCC3)c(F)c1 ZINC000002597948 570291905 /nfs/dbraw/zinc/29/19/05/570291905.db2.gz XNRQCMHNKSMMQH-UHFFFAOYSA-N 1 0 375.370 4.127 50 0 GIAARO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000012921303 570294432 /nfs/dbraw/zinc/29/44/32/570294432.db2.gz JOXKEYMFUDVADS-INIZCTEOSA-N 1 0 378.472 4.316 50 0 GIAARO Cc1cc(NCC[NH+](C)C)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021790440 570295914 /nfs/dbraw/zinc/29/59/14/570295914.db2.gz NFGYIGXMSGQDFY-UHFFFAOYSA-N 1 0 397.832 4.350 50 0 GIAARO COc1ccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C[NH+]2CCC(C)CC2)cc1 ZINC000034692539 570296603 /nfs/dbraw/zinc/29/66/03/570296603.db2.gz KIZWDBRIURFPJM-GGAORHGYSA-N 1 0 384.564 4.159 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+](C)C)cc1 ZINC000021805456 570296703 /nfs/dbraw/zinc/29/67/03/570296703.db2.gz ABUOYKGUDWOJQM-IBGZPJMESA-N 1 0 399.878 4.036 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCC2)cc1 ZINC000021805582 570296808 /nfs/dbraw/zinc/29/68/08/570296808.db2.gz HDWFQLXVCHEMQA-NRFANRHFSA-N 1 0 375.472 4.217 50 0 GIAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012926073 570296825 /nfs/dbraw/zinc/29/68/25/570296825.db2.gz OJVAHXPXYVPUPS-IAGOWNOFSA-N 1 0 375.472 4.090 50 0 GIAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012926077 570296869 /nfs/dbraw/zinc/29/68/69/570296869.db2.gz OJVAHXPXYVPUPS-DLBZAZTESA-N 1 0 375.472 4.090 50 0 GIAARO Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C[NH+]2CCCCC2)cc1 ZINC000034697769 570298862 /nfs/dbraw/zinc/29/88/62/570298862.db2.gz MLMYICXUXVTLLJ-FYYLOGMGSA-N 1 0 380.507 4.476 50 0 GIAARO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000034682524 570300261 /nfs/dbraw/zinc/30/02/61/570300261.db2.gz WEBCBUCVSGELCI-UHFFFAOYSA-N 1 0 382.504 4.111 50 0 GIAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)c1 ZINC000216489941 570302608 /nfs/dbraw/zinc/30/26/08/570302608.db2.gz GUJSARYKVDDHDX-JOCHJYFZSA-N 1 0 376.504 4.302 50 0 GIAARO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccc(F)cc1 ZINC000022075319 570305287 /nfs/dbraw/zinc/30/52/87/570305287.db2.gz ZUTINSSXCVPLAW-NRFANRHFSA-N 1 0 381.447 4.237 50 0 GIAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccc(F)cc1 ZINC000022075317 570305321 /nfs/dbraw/zinc/30/53/21/570305321.db2.gz ZUTINSSXCVPLAW-OAQYLSRUSA-N 1 0 381.447 4.237 50 0 GIAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1csc(C)n1 ZINC000022770304 570326551 /nfs/dbraw/zinc/32/65/51/570326551.db2.gz RGXZBQGEMYNGFV-UHFFFAOYSA-N 1 0 398.484 4.058 50 0 GIAARO COCCNC(=O)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739878 570326786 /nfs/dbraw/zinc/32/67/86/570326786.db2.gz DTICTTJHWJCJNO-TZIWHRDSSA-N 1 0 386.923 4.056 50 0 GIAARO CC(C)Oc1ccc(Br)cc1C[NH2+]CCCOc1ccccn1 ZINC000113396593 570331386 /nfs/dbraw/zinc/33/13/86/570331386.db2.gz CXEKYNLFMQEYTC-UHFFFAOYSA-N 1 0 379.298 4.190 50 0 GIAARO CCc1noc([C@H](C)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022931995 570337150 /nfs/dbraw/zinc/33/71/50/570337150.db2.gz XONSJJBZWUNIGL-SFHVURJKSA-N 1 0 376.504 4.100 50 0 GIAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)O[C@@H](C)C2 ZINC000022932606 570337545 /nfs/dbraw/zinc/33/75/45/570337545.db2.gz DOBNGPXUILNKJW-PXNSSMCTSA-N 1 0 384.520 4.319 50 0 GIAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)o1 ZINC000023145895 570346958 /nfs/dbraw/zinc/34/69/58/570346958.db2.gz FTZGAOQMQDRVFR-NRFANRHFSA-N 1 0 396.556 4.385 50 0 GIAARO Fc1cccc(-c2noc3c2CN([C@@H]2CC[N@H+](Cc4ccccc4)C2)CC3)c1 ZINC000023375219 570358813 /nfs/dbraw/zinc/35/88/13/570358813.db2.gz RDSSKPQNTDOJPT-HXUWFJFHSA-N 1 0 377.463 4.113 50 0 GIAARO CN(Cc1coc(-c2ccccc2)n1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000023375328 570358864 /nfs/dbraw/zinc/35/88/64/570358864.db2.gz UGCLZLXIFQFSGY-QHCPKHFHSA-N 1 0 375.516 4.481 50 0 GIAARO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccc(C(N)=O)s3)o2)cc1 ZINC000023506095 570364064 /nfs/dbraw/zinc/36/40/64/570364064.db2.gz NCLPQRJFJRSIKV-KRWDZBQOSA-N 1 0 382.485 4.453 50 0 GIAARO COC(=O)c1sccc1-c1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000004307543 570366874 /nfs/dbraw/zinc/36/68/74/570366874.db2.gz UPXSDUBVOCNFQB-UHFFFAOYSA-N 1 0 382.485 4.117 50 0 GIAARO CCc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc1 ZINC000004921989 570369766 /nfs/dbraw/zinc/36/97/66/570369766.db2.gz DSVAUWOLSFQYKW-UHFFFAOYSA-N 1 0 387.483 4.426 50 0 GIAARO COc1cccc2cc(C(=O)NC[C@@H](c3cc4ccccc4o3)[NH+](C)C)oc21 ZINC000575621685 570370561 /nfs/dbraw/zinc/37/05/61/570370561.db2.gz QZQRJJHIYFEQDO-INIZCTEOSA-N 1 0 378.428 4.220 50 0 GIAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(Br)c1 ZINC000000819150 570372438 /nfs/dbraw/zinc/37/24/38/570372438.db2.gz WLXYMYZHWUVNMA-UHFFFAOYSA-N 1 0 386.249 4.190 50 0 GIAARO CCCCc1nn2c(nc(C[N@@H+](Cc3ccc(C)cc3)CC(C)C)cc2=O)s1 ZINC000035509808 570382486 /nfs/dbraw/zinc/38/24/86/570382486.db2.gz NWIAWTVOXXQPLW-UHFFFAOYSA-N 1 0 398.576 4.460 50 0 GIAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000178677050 570386848 /nfs/dbraw/zinc/38/68/48/570386848.db2.gz BUVZDZTVAQKFHF-AWEZNQCLSA-N 1 0 383.492 4.391 50 0 GIAARO Cc1ccc(-c2nc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cs2)o1 ZINC000032762955 570393941 /nfs/dbraw/zinc/39/39/41/570393941.db2.gz PWZULDBKCSPXRL-HNNXBMFYSA-N 1 0 387.530 4.340 50 0 GIAARO C[C@@H]([NH2+]CC(=O)N(c1ccccc1)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000024980690 570401457 /nfs/dbraw/zinc/40/14/57/570401457.db2.gz PUEVZJWYZTVUFY-GOSISDBHSA-N 1 0 394.515 4.474 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccsc1 ZINC000025329713 570411034 /nfs/dbraw/zinc/41/10/34/570411034.db2.gz RFILKUNSEPFBCE-INIZCTEOSA-N 1 0 378.588 4.259 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000025377189 570412198 /nfs/dbraw/zinc/41/21/98/570412198.db2.gz KFOFSMZEBOXHPU-NRFANRHFSA-N 1 0 377.488 4.207 50 0 GIAARO COc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2nccn2C)cc1 ZINC000016472637 570425382 /nfs/dbraw/zinc/42/53/82/570425382.db2.gz PKYCISVZFADMCI-FQEVSTJZSA-N 1 0 377.488 4.246 50 0 GIAARO C[C@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000032951972 570428315 /nfs/dbraw/zinc/42/83/15/570428315.db2.gz WUKSIMROLFDTMM-SFHVURJKSA-N 1 0 392.609 4.117 50 0 GIAARO C[C@H](NC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(F)cc1 ZINC000027345292 570433352 /nfs/dbraw/zinc/43/33/52/570433352.db2.gz MIIWFSKJRLTULS-JXFKEZNVSA-N 1 0 397.494 4.174 50 0 GIAARO Cc1ccc(-n2cc(CN3CC[N@@H+]4CCC[C@H]4C3)c(-c3cccc(C)c3)n2)cc1 ZINC000244884028 570434015 /nfs/dbraw/zinc/43/40/15/570434015.db2.gz YDWDHCHUQIVPJL-DEOSSOPVSA-N 1 0 386.543 4.436 50 0 GIAARO Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027664278 570439745 /nfs/dbraw/zinc/43/97/45/570439745.db2.gz JHFKUPIGYPUIBM-OAQYLSRUSA-N 1 0 386.923 4.289 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000027741210 570440743 /nfs/dbraw/zinc/44/07/43/570440743.db2.gz ULSIMFIOEDHACD-INIZCTEOSA-N 1 0 393.350 4.468 50 0 GIAARO CC(C)(C)c1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000028288697 570455213 /nfs/dbraw/zinc/45/52/13/570455213.db2.gz JFGKSBFSAAPUIZ-JOCHJYFZSA-N 1 0 398.522 4.455 50 0 GIAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000089505829 570458729 /nfs/dbraw/zinc/45/87/29/570458729.db2.gz ZTLMRNFGONXOHT-QFBILLFUSA-N 1 0 392.588 4.127 50 0 GIAARO C[C@@](O)(C[NH2+]Cc1cccc2c1OCCO2)C(c1ccccc1)c1ccccc1 ZINC000072289917 570482976 /nfs/dbraw/zinc/48/29/76/570482976.db2.gz JNVQWHMIBIDNIU-RUZDIDTESA-N 1 0 389.495 4.131 50 0 GIAARO C[C@](O)(C[NH2+]Cc1cccc2c1OCCO2)C(c1ccccc1)c1ccccc1 ZINC000072289918 570483044 /nfs/dbraw/zinc/48/30/44/570483044.db2.gz JNVQWHMIBIDNIU-VWLOTQADSA-N 1 0 389.495 4.131 50 0 GIAARO Cc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(C)c1OCc1ccccn1 ZINC000030543992 570491026 /nfs/dbraw/zinc/49/10/26/570491026.db2.gz PDCBALWNIZGMRX-UHFFFAOYSA-N 1 0 376.456 4.296 50 0 GIAARO O=C(OCCCCCC[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000032011204 570493645 /nfs/dbraw/zinc/49/36/45/570493645.db2.gz LMRGRENNIRFQQZ-UHFFFAOYSA-N 1 0 381.516 4.254 50 0 GIAARO C[N@H+](Cc1cc(F)ccc1Br)C1CCN(c2ccccn2)CC1 ZINC000072308291 570527771 /nfs/dbraw/zinc/52/77/71/570527771.db2.gz OUVAAGGXTZGMEB-UHFFFAOYSA-N 1 0 378.289 4.084 50 0 GIAARO c1ccc(-c2noc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)n2)cc1 ZINC000022803528 570550018 /nfs/dbraw/zinc/55/00/18/570550018.db2.gz ZHKWDBHJPLABPW-UHFFFAOYSA-N 1 0 384.483 4.208 50 0 GIAARO O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022907756 570564114 /nfs/dbraw/zinc/56/41/14/570564114.db2.gz OOUMTVWVLYKZJM-HXUWFJFHSA-N 1 0 380.488 4.417 50 0 GIAARO Brc1ccc2c(ccc(O[C@H]3CCC[NH2+]C3)c2Br)c1 ZINC000042774530 570622574 /nfs/dbraw/zinc/62/25/74/570622574.db2.gz KJXHUUDBVNKELA-LBPRGKRZSA-N 1 0 385.099 4.496 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cscn4)C3)C2)cc1 ZINC000012386242 570651286 /nfs/dbraw/zinc/65/12/86/570651286.db2.gz UINCNTKZQVBWCU-JOCHJYFZSA-N 1 0 383.561 4.395 50 0 GIAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012386495 570651400 /nfs/dbraw/zinc/65/14/00/570651400.db2.gz ZBXYMPOALNVEOK-HSZRJFAPSA-N 1 0 399.535 4.078 50 0 GIAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](C2CCOCC2)CC1 ZINC000012387040 570651846 /nfs/dbraw/zinc/65/18/46/570651846.db2.gz WFJGIGFRMYTUBL-UHFFFAOYSA-N 1 0 399.453 4.072 50 0 GIAARO COc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1C ZINC000012430402 570659213 /nfs/dbraw/zinc/65/92/13/570659213.db2.gz GAUOQPUROBYUMA-QFIPXVFZSA-N 1 0 380.532 4.173 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)c2ccccc21 ZINC000012460201 570670676 /nfs/dbraw/zinc/67/06/76/570670676.db2.gz NPOHYXIADXBDOT-KRWDZBQOSA-N 1 0 376.456 4.002 50 0 GIAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)C[NH2+][C@H](C)c3ccccc3)ccc21 ZINC000012421903 570672834 /nfs/dbraw/zinc/67/28/34/570672834.db2.gz XSSCDLYTAFULIO-OXQOHEQNSA-N 1 0 394.515 4.263 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cnn1-c1cccc(F)c1 ZINC000012476810 570673888 /nfs/dbraw/zinc/67/38/88/570673888.db2.gz XPUDRFPGHHXUBJ-INIZCTEOSA-N 1 0 375.451 4.356 50 0 GIAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054274606 570677189 /nfs/dbraw/zinc/67/71/89/570677189.db2.gz LHCVPCWPEGRTDW-UHFFFAOYSA-N 1 0 383.499 4.027 50 0 GIAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000012571550 570681319 /nfs/dbraw/zinc/68/13/19/570681319.db2.gz OAILSHYOMDABKQ-MRXNPFEDSA-N 1 0 396.466 4.301 50 0 GIAARO c1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000012590298 570686685 /nfs/dbraw/zinc/68/66/85/570686685.db2.gz GGOQPMFMSZHGAE-IBGZPJMESA-N 1 0 391.471 4.453 50 0 GIAARO Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+](CC(C)(C)CO)C3)c2)c1 ZINC000012592234 570687547 /nfs/dbraw/zinc/68/75/47/570687547.db2.gz FDHSHERQIDXRHY-OAQYLSRUSA-N 1 0 380.532 4.331 50 0 GIAARO COCCN(Cc1cccc(F)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012712727 570703204 /nfs/dbraw/zinc/70/32/04/570703204.db2.gz OPXLMMNTEGECSV-NRFANRHFSA-N 1 0 396.550 4.154 50 0 GIAARO COc1ccc(CC2(CO)CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000012712443 570703448 /nfs/dbraw/zinc/70/34/48/570703448.db2.gz PTOQOZKIYMBVFU-UHFFFAOYSA-N 1 0 383.532 4.300 50 0 GIAARO C[C@@H]([NH2+]Cc1ccccc1OCC(=O)N1CCCC1)c1ccc2c(c1)CCCC2 ZINC000017317350 570704296 /nfs/dbraw/zinc/70/42/96/570704296.db2.gz GUQBEDFIXGKDFC-LJQANCHMSA-N 1 0 392.543 4.417 50 0 GIAARO Cc1cccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)c1C ZINC000012717568 570704759 /nfs/dbraw/zinc/70/47/59/570704759.db2.gz FHBAEXMUILVPJR-UHFFFAOYSA-N 1 0 382.523 4.469 50 0 GIAARO c1cnn(CCC[N@@H+]2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)c1 ZINC000012718565 570705278 /nfs/dbraw/zinc/70/52/78/570705278.db2.gz FKDIAFPAYVJDTQ-UHFFFAOYSA-N 1 0 398.510 4.500 50 0 GIAARO O=C(c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1)N1CCCCO1 ZINC000012752615 570709571 /nfs/dbraw/zinc/70/95/71/570709571.db2.gz KIUNDWWYDLZEMV-UHFFFAOYSA-N 1 0 392.927 4.293 50 0 GIAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012756399 570710159 /nfs/dbraw/zinc/71/01/59/570710159.db2.gz YJPHQHWYZMMPIR-XMMPIXPASA-N 1 0 394.515 4.033 50 0 GIAARO COc1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000017911477 570719083 /nfs/dbraw/zinc/71/90/83/570719083.db2.gz GNBVJYRVVGSSLV-DEOSSOPVSA-N 1 0 388.511 4.344 50 0 GIAARO CCCC[N@H+](C)CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000013144271 570763689 /nfs/dbraw/zinc/76/36/89/570763689.db2.gz ILTJLRIAMHZGQN-UHFFFAOYSA-N 1 0 376.504 4.149 50 0 GIAARO CCc1ccc([C@H](CNC(=O)CCC(=O)c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000032733300 570788123 /nfs/dbraw/zinc/78/81/23/570788123.db2.gz SWTHASXYVUHMGU-NRFANRHFSA-N 1 0 398.572 4.353 50 0 GIAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013774206 570789024 /nfs/dbraw/zinc/78/90/24/570789024.db2.gz OFMPWADIUKHQKX-JOCHJYFZSA-N 1 0 385.915 4.389 50 0 GIAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1F ZINC000032736354 570789073 /nfs/dbraw/zinc/78/90/73/570789073.db2.gz WCIFVRKCWZUOBV-KRWDZBQOSA-N 1 0 376.497 4.099 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000007118735 570792719 /nfs/dbraw/zinc/79/27/19/570792719.db2.gz XLXPFCKUUPJWHD-UHFFFAOYSA-N 1 0 394.906 4.125 50 0 GIAARO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCCC2 ZINC000014123973 570824003 /nfs/dbraw/zinc/82/40/03/570824003.db2.gz SSQALQSYHYGDEF-INIZCTEOSA-N 1 0 380.488 4.016 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3ccccc32)[NH+](C)C)cc1 ZINC000014121897 570824052 /nfs/dbraw/zinc/82/40/52/570824052.db2.gz MHMYYWLEBTYYGQ-HSZRJFAPSA-N 1 0 389.499 4.154 50 0 GIAARO COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)c2cccs2)c2ccccc2)cc1 ZINC000014124200 570824106 /nfs/dbraw/zinc/82/41/06/570824106.db2.gz NJRKIGIZDVTOMY-OPAMFIHVSA-N 1 0 380.513 4.313 50 0 GIAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000003215170 570838067 /nfs/dbraw/zinc/83/80/67/570838067.db2.gz MVLOKRKDMCHINT-UHFFFAOYSA-N 1 0 388.515 4.014 50 0 GIAARO CCOc1cc(C[N@H+](C)CCOc2ccccc2C(C)=O)ccc1OC(F)F ZINC000032825451 570839233 /nfs/dbraw/zinc/83/92/33/570839233.db2.gz RWIGWGODLRITRD-UHFFFAOYSA-N 1 0 393.430 4.400 50 0 GIAARO O=C(c1ccc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nc1)N1CCCC1 ZINC000032829062 570842280 /nfs/dbraw/zinc/84/22/80/570842280.db2.gz BORUXDPOJNFPQW-FQEVSTJZSA-N 1 0 398.938 4.220 50 0 GIAARO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000170602735 570861198 /nfs/dbraw/zinc/86/11/98/570861198.db2.gz MDEXAJGMOQFKAI-HVIUMASTSA-N 1 0 397.607 4.025 50 0 GIAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000014956249 570866084 /nfs/dbraw/zinc/86/60/84/570866084.db2.gz YEHISYJHULJIJN-INIZCTEOSA-N 1 0 395.425 4.158 50 0 GIAARO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000014962013 570866727 /nfs/dbraw/zinc/86/67/27/570866727.db2.gz BTSDTFWSRKBEBU-QHCPKHFHSA-N 1 0 389.499 4.417 50 0 GIAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(C)n1 ZINC000014971399 570867803 /nfs/dbraw/zinc/86/78/03/570867803.db2.gz NOOZMVNIXPXZMU-INIZCTEOSA-N 1 0 379.426 4.325 50 0 GIAARO COc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1OC ZINC000014974264 570868100 /nfs/dbraw/zinc/86/81/00/570868100.db2.gz RDXPVGPRONDETI-QFIPXVFZSA-N 1 0 396.575 4.399 50 0 GIAARO O=C(c1ccnc(Cl)c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000014980030 570869206 /nfs/dbraw/zinc/86/92/06/570869206.db2.gz ULFLHKAKBFSGFR-NRFANRHFSA-N 1 0 387.886 4.002 50 0 GIAARO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NCc1ccco1 ZINC000014992795 570870429 /nfs/dbraw/zinc/87/04/29/570870429.db2.gz PGNAPLPUCXGTDJ-JOCHJYFZSA-N 1 0 394.446 4.061 50 0 GIAARO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568294 570872597 /nfs/dbraw/zinc/87/25/97/570872597.db2.gz KEEXJOUTWAAFLF-SJLPKXTDSA-N 1 0 391.540 4.454 50 0 GIAARO CN(C(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000015079431 570879448 /nfs/dbraw/zinc/87/94/48/570879448.db2.gz GHXGIZODCKHOAU-OAQYLSRUSA-N 1 0 386.923 4.120 50 0 GIAARO C[C@@H]([NH2+]C1(CNCc2cnc(C(C)(C)C)s2)CCOCC1)c1ccccc1 ZINC000097002592 570885616 /nfs/dbraw/zinc/88/56/16/570885616.db2.gz CXXTXCQEHUBZAK-QGZVFWFLSA-N 1 0 387.593 4.430 50 0 GIAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000012601637 570887187 /nfs/dbraw/zinc/88/71/87/570887187.db2.gz JSEVRGIDKBLNNO-IBGZPJMESA-N 1 0 388.515 4.349 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000032896534 570887560 /nfs/dbraw/zinc/88/75/60/570887560.db2.gz PWFHOLQPBMOLGG-UHFFFAOYSA-N 1 0 389.499 4.270 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCSc2ccc(F)cc21 ZINC000032891566 570889031 /nfs/dbraw/zinc/88/90/31/570889031.db2.gz BNTKSFCCJPZAQM-FQEVSTJZSA-N 1 0 399.535 4.458 50 0 GIAARO CCOC(=O)CCC[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000097095729 570891929 /nfs/dbraw/zinc/89/19/29/570891929.db2.gz PQKXOSUMEAPJEJ-PAXLWEDBSA-N 1 0 382.495 4.200 50 0 GIAARO O=C(Cc1c(F)cccc1Cl)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013327903 570895468 /nfs/dbraw/zinc/89/54/68/570895468.db2.gz 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CCOc1ccc(NC(=O)CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000089991152 570923011 /nfs/dbraw/zinc/92/30/11/570923011.db2.gz JXTFJOMOSJDTRC-JOCHJYFZSA-N 1 0 395.547 4.010 50 0 GIAARO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCCCC2)c(=O)n1Cc1ccco1 ZINC000016993912 570923059 /nfs/dbraw/zinc/92/30/59/570923059.db2.gz UZMNQFZRVZTVNE-QFIPXVFZSA-N 1 0 396.462 4.218 50 0 GIAARO COc1ccccc1NC(=O)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000016622650 570928931 /nfs/dbraw/zinc/92/89/31/570928931.db2.gz MNABYKKKTGUEMM-UHFFFAOYSA-N 1 0 387.911 4.382 50 0 GIAARO FC(F)(F)c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000095980440 570936200 /nfs/dbraw/zinc/93/62/00/570936200.db2.gz COPQSDVEGOEIRF-GFCCVEGCSA-N 1 0 391.397 4.222 50 0 GIAARO CCOc1ccc(Br)cc1C[NH2+]C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000017863242 570949208 /nfs/dbraw/zinc/94/92/08/570949208.db2.gz ZKPSQFGUWNRJLH-BAUKFBFWSA-N 1 0 380.326 4.021 50 0 GIAARO COCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)o1 ZINC000012057849 570957016 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C[NH+](C)CCCNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 ZINC000002209748 571006599 /nfs/dbraw/zinc/00/65/99/571006599.db2.gz CDOBMVJFVPIEJY-UHFFFAOYSA-N 1 0 396.560 4.080 50 0 GIAARO COc1ccc2cc(CNC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)ccc2c1 ZINC000012758080 571007431 /nfs/dbraw/zinc/00/74/31/571007431.db2.gz ZQRWLDYGVNKQHN-OAQYLSRUSA-N 1 0 393.487 4.078 50 0 GIAARO O[C@H](CN1CCC[N@H+](Cc2cccs2)CC1)c1ccccc1C(F)(F)F ZINC000084501600 571019468 /nfs/dbraw/zinc/01/94/68/571019468.db2.gz GVEHOPFGXGFTAI-GOSISDBHSA-N 1 0 384.467 4.008 50 0 GIAARO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1C(F)(F)F ZINC000084501595 571019558 /nfs/dbraw/zinc/01/95/58/571019558.db2.gz PDSZLINTMWCZLB-MSOLQXFVSA-N 1 0 393.405 4.347 50 0 GIAARO FC(F)(F)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cc1 ZINC000091808518 571031201 /nfs/dbraw/zinc/03/12/01/571031201.db2.gz KNKOCNNCLAWJMP-AZUAARDMSA-N 1 0 375.438 4.197 50 0 GIAARO Cc1ccccc1N1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000091914733 571036010 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COc1ccc([C@@H]2CN(Cc3cccc(F)c3F)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095362336 571055958 /nfs/dbraw/zinc/05/59/58/571055958.db2.gz WBZCTFLGBAAESB-WWPVKYPJSA-N 1 0 384.470 4.036 50 0 GIAARO CN(Cc1cc(-c2ccccc2)on1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095365736 571058042 /nfs/dbraw/zinc/05/80/42/571058042.db2.gz KNCGKOXOSNPJHW-FQEVSTJZSA-N 1 0 375.472 4.081 50 0 GIAARO O=C(c1ccc2occc2c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095366080 571058377 /nfs/dbraw/zinc/05/83/77/571058377.db2.gz YFYSMIFPRLEPPJ-LAUBAEHRSA-N 1 0 378.447 4.309 50 0 GIAARO COc1ccc([C@@H]2CN(Cc3ccc(F)cc3F)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095366162 571058399 /nfs/dbraw/zinc/05/83/99/571058399.db2.gz JHZWRXACQKVFID-MDNUFGMLSA-N 1 0 384.470 4.036 50 0 GIAARO O=C(c1ccc(OC(F)F)cc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095366064 571058558 /nfs/dbraw/zinc/05/85/58/571058558.db2.gz UCWXSJNUZGCMHC-IEBWSBKVSA-N 1 0 386.442 4.025 50 0 GIAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2oc3ccc(C)cc3c2C)C1 ZINC000095383091 571068621 /nfs/dbraw/zinc/06/86/21/571068621.db2.gz AENKRIVFQFJTJR-RBUKOAKNSA-N 1 0 378.520 4.178 50 0 GIAARO O=C(c1ccc(C(F)(F)F)cc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095383393 571068988 /nfs/dbraw/zinc/06/89/88/571068988.db2.gz DEBIUJAVQBRZIC-YLJYHZDGSA-N 1 0 388.433 4.442 50 0 GIAARO COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCC(Cc3ccccc3)CC1)c(C)n2C ZINC000002294049 817383174 /nfs/dbraw/zinc/38/31/74/817383174.db2.gz ZCXJDVQGWDEQDD-DEOSSOPVSA-N 1 0 392.543 4.483 50 0 GIAARO CC[NH+](CC)CCNc1nc(SC)nc2sc3c(c21)C[C@](C)(CC)OC3 ZINC000002418449 817388335 /nfs/dbraw/zinc/38/83/35/817388335.db2.gz FVUFULVRAYSFFQ-IBGZPJMESA-N 1 0 394.610 4.408 50 0 GIAARO C[NH+]1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000002637474 817394805 /nfs/dbraw/zinc/39/48/05/817394805.db2.gz AUXVLOXZUCPOJY-UHFFFAOYSA-N 1 0 387.512 4.172 50 0 GIAARO CCc1cccc(CC)c1NC(=S)N(CCOC)C1CC[NH+](C(C)C)CC1 ZINC000002933984 817406696 /nfs/dbraw/zinc/40/66/96/817406696.db2.gz KOFPKOKQXKIHAW-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/21/06/11/818210611.db2.gz UPNUKQUWVLGEOZ-LJQANCHMSA-N 1 0 390.531 4.084 50 0 GIAARO O=c1c(C[NH+]2CCCC2)cc2ccc(Cl)cc2n1CCOc1ccccc1 ZINC000014956684 818279103 /nfs/dbraw/zinc/27/91/03/818279103.db2.gz BAQMZXNDQNMRQN-UHFFFAOYSA-N 1 0 382.891 4.330 50 0 GIAARO COc1ccc(CC2(CO)CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000014980845 818279892 /nfs/dbraw/zinc/27/98/92/818279892.db2.gz IOFIYTFASHJJEG-UHFFFAOYSA-N 1 0 377.887 4.305 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2cccn2-c2nccs2)cnn1-c1cccc(F)c1 ZINC000014976960 818279943 /nfs/dbraw/zinc/27/99/43/818279943.db2.gz FTVMXIBXUQOVAF-CQSZACIVSA-N 1 0 381.480 4.418 50 0 GIAARO Cc1ccc2cc(C[NH2+]C[C@@H](C)c3ccccc3)c(N3CCC(O)CC3)nc2c1 ZINC000014990895 818280624 /nfs/dbraw/zinc/28/06/24/818280624.db2.gz GQLGTURJBMIVHG-LJQANCHMSA-N 1 0 389.543 4.398 50 0 GIAARO COCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)o1 ZINC000015067608 818287511 /nfs/dbraw/zinc/28/75/11/818287511.db2.gz FREZEJUZHBFJKS-HSZRJFAPSA-N 1 0 388.552 4.211 50 0 GIAARO C[C@H](CC1CC1)[NH+]1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000015071905 818287530 /nfs/dbraw/zinc/28/75/30/818287530.db2.gz HQKZHVNVDULSTR-OAHLLOKOSA-N 1 0 385.487 4.492 50 0 GIAARO CC[NH+]1CCN(c2ccc(N[C@H](C)c3nnc(-c4ccccc4)o3)c(C)c2)CC1 ZINC000057833283 823339454 /nfs/dbraw/zinc/33/94/54/823339454.db2.gz WAKZMIYAQWTKIA-GOSISDBHSA-N 1 0 391.519 4.360 50 0 GIAARO COc1ccc([C@@](O)(CCC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440803 818621334 /nfs/dbraw/zinc/62/13/34/818621334.db2.gz YTUJAJLUZJTQQQ-DQEYMECFSA-N 1 0 397.559 4.435 50 0 GIAARO CCCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440766 818621345 /nfs/dbraw/zinc/62/13/45/818621345.db2.gz RZLQUASGHIXFJM-DNQXCXABSA-N 1 0 383.532 4.189 50 0 GIAARO CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000020889758 818635906 /nfs/dbraw/zinc/63/59/06/818635906.db2.gz HHWODRBZNJOEMT-UHFFFAOYSA-N 1 0 381.520 4.427 50 0 GIAARO O=C(Nc1cccc(Cl)c1)c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000021018042 818647701 /nfs/dbraw/zinc/64/77/01/818647701.db2.gz XXWVTICDRMGUEI-UHFFFAOYSA-N 1 0 380.879 4.245 50 0 GIAARO CCCCC[C@@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170098 818660993 /nfs/dbraw/zinc/66/09/93/818660993.db2.gz RJELKSWVSZXBSD-BJKOFHAPSA-N 1 0 383.532 4.276 50 0 GIAARO COc1ccc(Cl)cc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000021175453 818661426 /nfs/dbraw/zinc/66/14/26/818661426.db2.gz MODKNJYPUODHAZ-QGZVFWFLSA-N 1 0 387.911 4.301 50 0 GIAARO Cc1ccc([C@H](CNC(=O)Nc2ccc(C)cc2Br)[NH+](C)C)cc1 ZINC000058055167 823357863 /nfs/dbraw/zinc/35/78/63/823357863.db2.gz ZQIYTIGXHDILIX-SFHVURJKSA-N 1 0 390.325 4.490 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000021869887 818750305 /nfs/dbraw/zinc/75/03/05/818750305.db2.gz VTLZMNYBYSPISE-OAQYLSRUSA-N 1 0 380.463 4.437 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000021869884 818750375 /nfs/dbraw/zinc/75/03/75/818750375.db2.gz VTLZMNYBYSPISE-NRFANRHFSA-N 1 0 380.463 4.437 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCc2cc(Br)ccc21 ZINC000058162631 823365905 /nfs/dbraw/zinc/36/59/05/823365905.db2.gz UICSGZNGTQOGCW-HNNXBMFYSA-N 1 0 394.357 4.176 50 0 GIAARO Cc1ccccc1NC1CC[NH+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000058168294 823366385 /nfs/dbraw/zinc/36/63/85/823366385.db2.gz XPSUKUQZZPBNHE-VEDPWSRISA-N 1 0 395.591 4.345 50 0 GIAARO C[N@H+](Cc1cccs1)Cc1cccc(-c2nc(-c3ccoc3)cc(=O)[nH]2)c1 ZINC000023231265 818915116 /nfs/dbraw/zinc/91/51/16/818915116.db2.gz UDIGRTSERPVIHA-UHFFFAOYSA-N 1 0 377.469 4.390 50 0 GIAARO C[N@H+](Cc1cccs1)Cc1cccc(-c2nc(C3CCOCC3)cc(=O)[nH]2)c1 ZINC000023479115 818944615 /nfs/dbraw/zinc/94/46/15/818944615.db2.gz NOOCVVRUXJZIFA-UHFFFAOYSA-N 1 0 395.528 4.024 50 0 GIAARO Cn1cc(Cl)cc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000031078659 820736380 /nfs/dbraw/zinc/73/63/80/820736380.db2.gz GOLDVJLRFBRFFN-UHFFFAOYSA-N 1 0 381.907 4.337 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2)cc1)c1cccc(F)c1 ZINC000032245988 820904836 /nfs/dbraw/zinc/90/48/36/820904836.db2.gz JBSSTANGTKRUAC-QHCPKHFHSA-N 1 0 392.474 4.437 50 0 GIAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000040103897 821137006 /nfs/dbraw/zinc/13/70/06/821137006.db2.gz AVCDXKOSTXFYDU-UHFFFAOYSA-N 1 0 395.503 4.324 50 0 GIAARO CCN(C(=O)c1cc2ccc(OC)cc2[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000040158082 821152901 /nfs/dbraw/zinc/15/29/01/821152901.db2.gz ZSOIKDLXWXGAML-PXNSSMCTSA-N 1 0 391.515 4.474 50 0 GIAARO CC(C)(C)C(=O)N1CCC(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000181734381 821967411 /nfs/dbraw/zinc/96/74/11/821967411.db2.gz VBYXEALXZLDLQH-JOCHJYFZSA-N 1 0 386.580 4.033 50 0 GIAARO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H](COc4ccccc4Cl)C3)on2)cn1 ZINC000185042226 822728380 /nfs/dbraw/zinc/72/83/80/822728380.db2.gz UDSOVNVFENFQGL-HNNXBMFYSA-N 1 0 386.883 4.020 50 0 GIAARO O=C1CCc2cc(NC3CC[NH+](CCC(F)(F)F)CC3)ccc2N1CC1CC1 ZINC000186672333 822934375 /nfs/dbraw/zinc/93/43/75/822934375.db2.gz IGGWFXCJNUFODG-UHFFFAOYSA-N 1 0 395.469 4.205 50 0 GIAARO Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190575663 823587692 /nfs/dbraw/zinc/58/76/92/823587692.db2.gz HSVRYUQCKDBPLO-QGZVFWFLSA-N 1 0 397.906 4.384 50 0 GIAARO COc1ccccc1C(=O)N1CCCCC[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000169775153 823915455 /nfs/dbraw/zinc/91/54/55/823915455.db2.gz YZDZDLIIOJWSMM-OAQYLSRUSA-N 1 0 378.516 4.138 50 0 GIAARO O=C(C1CCCC1)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777146 823915499 /nfs/dbraw/zinc/91/54/99/823915499.db2.gz WSMXEHLLFOHEEM-UHFFFAOYSA-N 1 0 390.527 4.156 50 0 GIAARO COCCn1c(C)cnc1C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000575317153 823953306 /nfs/dbraw/zinc/95/33/06/823953306.db2.gz CBORPPHIQDLEBG-SFHVURJKSA-N 1 0 395.469 4.311 50 0 GIAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000575548772 823976163 /nfs/dbraw/zinc/97/61/63/823976163.db2.gz DGWLPSUUKHVPBN-IBGZPJMESA-N 1 0 376.504 4.347 50 0 GIAARO COc1cccc(C[NH+]2CCC(Cn3c(C)cnc3C3CCC3)CC2)c1OC ZINC000575549142 823976299 /nfs/dbraw/zinc/97/62/99/823976299.db2.gz HPHILSDXVMHUAQ-UHFFFAOYSA-N 1 0 383.536 4.388 50 0 GIAARO Cc1c[nH+]c(C2CCC2)n1CC1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000575549608 823976493 /nfs/dbraw/zinc/97/64/93/823976493.db2.gz LOCKOZHRIXNZIR-GOSISDBHSA-N 1 0 381.520 4.165 50 0 GIAARO Cc1c[nH+]c(C2CCC2)n1CCNC(=O)c1cc(-c2ccccc2)n(C)c1C ZINC000575556095 823977053 /nfs/dbraw/zinc/97/70/53/823977053.db2.gz USVODUAHVGRYPW-UHFFFAOYSA-N 1 0 376.504 4.203 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccco2)CC1)c1ccc(-c2ccccc2O)cc1 ZINC000426526891 231235199 /nfs/dbraw/zinc/23/51/99/231235199.db2.gz PDDBVKZJGOHNPQ-UHFFFAOYSA-N 1 0 376.456 4.047 50 0 GIAARO CCc1oc(C(=O)N(C)Cc2cc(-c3ccccc3)on2)cc1C[NH+]1CCCC1 ZINC000426612740 231246350 /nfs/dbraw/zinc/24/63/50/231246350.db2.gz YKLMJKKHQAAKKN-UHFFFAOYSA-N 1 0 393.487 4.365 50 0 GIAARO Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)N[C@@H](C)C[NH+](C(C)C)C(C)C ZINC000002781209 203962217 /nfs/dbraw/zinc/96/22/17/203962217.db2.gz FINJLLXDHQGILN-WCQYABFASA-N 1 0 396.885 4.048 50 0 GIAARO CCOc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccco3)sc2c1 ZINC000004359442 204040044 /nfs/dbraw/zinc/04/00/44/204040044.db2.gz JIFGHBJEYNHLHS-UHFFFAOYSA-N 1 0 387.505 4.277 50 0 GIAARO COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000004359579 204040568 /nfs/dbraw/zinc/04/05/68/204040568.db2.gz ULTFOUWDGZOFKE-UHFFFAOYSA-N 1 0 387.480 4.043 50 0 GIAARO C[NH+](C)CCCN(C(=O)c1cccs1)c1nc2c(cc(F)cc2F)s1 ZINC000004359812 204040590 /nfs/dbraw/zinc/04/05/90/204040590.db2.gz QHHZQQCLMJTJEK-UHFFFAOYSA-N 1 0 381.473 4.235 50 0 GIAARO C[NH+](C)CCCN(C(=O)c1cccc(F)c1)c1nc2ccc(F)cc2s1 ZINC000004359572 204040762 /nfs/dbraw/zinc/04/07/62/204040762.db2.gz SZBLBBHVIZLDOM-UHFFFAOYSA-N 1 0 375.444 4.173 50 0 GIAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccccc3Cl)nc2c1 ZINC000004359350 204041038 /nfs/dbraw/zinc/04/10/38/204041038.db2.gz UCAXGIJKYGMUDA-UHFFFAOYSA-N 1 0 389.908 4.167 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)CCc1c[nH]c2ccccc12)[NH+]1CCCC1 ZINC000003432628 204006167 /nfs/dbraw/zinc/00/61/67/204006167.db2.gz DTEVWWNOMKIIOG-QFIPXVFZSA-N 1 0 391.515 4.062 50 0 GIAARO CC(=O)Oc1ccc(OC(C)=O)c(SCCCCC[NH+]2CCCCC2)c1 ZINC000004084782 204026947 /nfs/dbraw/zinc/02/69/47/204026947.db2.gz ASTJETSHXFUQGP-UHFFFAOYSA-N 1 0 379.522 4.286 50 0 GIAARO COc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1OCc1ccccc1 ZINC000004745746 204073161 /nfs/dbraw/zinc/07/31/61/204073161.db2.gz GEVDBEBWNBYFPF-UHFFFAOYSA-N 1 0 380.532 4.334 50 0 GIAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@@H](O)c1ccccc1 ZINC000004840574 204080561 /nfs/dbraw/zinc/08/05/61/204080561.db2.gz VYDJZAKUSPZNNR-JOCHJYFZSA-N 1 0 377.484 4.140 50 0 GIAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000004840176 204081308 /nfs/dbraw/zinc/08/13/08/204081308.db2.gz PJVZUFLTNWSCDI-UHFFFAOYSA-N 1 0 382.504 4.443 50 0 GIAARO O=C(CC[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(Cl)c1 ZINC000004498746 204049036 /nfs/dbraw/zinc/04/90/36/204049036.db2.gz ZDKRTXHBUHFJGP-UHFFFAOYSA-N 1 0 378.303 4.144 50 0 GIAARO CCCCCOc1ccc(-c2n[nH]c(=O)cc2NCC[NH2+]C2CCCCC2)cc1 ZINC000004517628 204050061 /nfs/dbraw/zinc/05/00/61/204050061.db2.gz KKHHZDMYRROOFM-UHFFFAOYSA-N 1 0 398.551 4.340 50 0 GIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000004659374 204060433 /nfs/dbraw/zinc/06/04/33/204060433.db2.gz ILZRDNDJMUYOIN-UHFFFAOYSA-N 1 0 382.504 4.147 50 0 GIAARO Fc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000004670828 204061861 /nfs/dbraw/zinc/06/18/61/204061861.db2.gz KVGWUIURYYEHAX-SFHVURJKSA-N 1 0 394.284 4.436 50 0 GIAARO COc1cccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668286 204062038 /nfs/dbraw/zinc/06/20/38/204062038.db2.gz FOGLTNKIXDBLGA-JXFKEZNVSA-N 1 0 375.582 4.367 50 0 GIAARO COc1ccc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)c(OC)c1OC ZINC000004678198 204063172 /nfs/dbraw/zinc/06/31/72/204063172.db2.gz NRAHIHDFAZZYGL-UHFFFAOYSA-N 1 0 387.867 4.378 50 0 GIAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000004689618 204064072 /nfs/dbraw/zinc/06/40/72/204064072.db2.gz WUBLGOGMJUFGTM-FQEVSTJZSA-N 1 0 383.488 4.049 50 0 GIAARO CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCC[NH+](C)C)c23)CO1 ZINC000005157597 204114874 /nfs/dbraw/zinc/11/48/74/204114874.db2.gz JZQLBEVXCYUYNN-LJQANCHMSA-N 1 0 394.610 4.407 50 0 GIAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[NH+]4CCC(C)CC4)sc3c2c1 ZINC000004939367 204095224 /nfs/dbraw/zinc/09/52/24/204095224.db2.gz ZBKUFWBHURSHCW-UHFFFAOYSA-N 1 0 398.528 4.168 50 0 GIAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000005043108 204105624 /nfs/dbraw/zinc/10/56/24/204105624.db2.gz YIRPSEFDWJVQOJ-UHFFFAOYSA-N 1 0 387.911 4.138 50 0 GIAARO Cc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)NCC[NH+](C)C)c2C)cc1 ZINC000005048450 204107548 /nfs/dbraw/zinc/10/75/48/204107548.db2.gz ZWBINGXSAGWCFM-UHFFFAOYSA-N 1 0 381.907 4.463 50 0 GIAARO CC[C@H](C)[N@H+](CCNC(=O)c1cc(C)nn1-c1ccccc1)C1CCCCC1 ZINC000005058701 204108481 /nfs/dbraw/zinc/10/84/81/204108481.db2.gz KSWYGEQSCTYHHF-IBGZPJMESA-N 1 0 382.552 4.344 50 0 GIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000006843186 204214693 /nfs/dbraw/zinc/21/46/93/204214693.db2.gz HCUXDHFLLAEOKA-HNNXBMFYSA-N 1 0 382.316 4.287 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cc(SC)ccc2Cl)[NH+](C)C)cc1 ZINC000006865392 204216280 /nfs/dbraw/zinc/21/62/80/204216280.db2.gz LLWPUMKFYHZTGM-GOSISDBHSA-N 1 0 378.925 4.103 50 0 GIAARO COc1cc(OC)c(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1Cl ZINC000006877160 204218252 /nfs/dbraw/zinc/21/82/52/204218252.db2.gz KBBHOEVAUJNOKJ-UHFFFAOYSA-N 1 0 395.931 4.087 50 0 GIAARO O=C(Nc1ccc(Br)cc1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000006877169 204219259 /nfs/dbraw/zinc/21/92/59/204219259.db2.gz NFAWXLCYDQXSES-UHFFFAOYSA-N 1 0 380.330 4.179 50 0 GIAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000008730051 204287927 /nfs/dbraw/zinc/28/79/27/204287927.db2.gz NIEBYRNNEXXTCO-UHFFFAOYSA-N 1 0 397.515 4.310 50 0 GIAARO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000008025791 204259490 /nfs/dbraw/zinc/25/94/90/204259490.db2.gz IRRUNVBRNPYYES-OAQYLSRUSA-N 1 0 393.556 4.409 50 0 GIAARO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Br)c1OC ZINC000008253607 204268672 /nfs/dbraw/zinc/26/86/72/204268672.db2.gz LFVXKMSCSFYUDZ-UHFFFAOYSA-N 1 0 394.309 4.197 50 0 GIAARO CCOc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310324 204270051 /nfs/dbraw/zinc/27/00/51/204270051.db2.gz MUVJJRIAFBOPCE-LJQANCHMSA-N 1 0 396.487 4.022 50 0 GIAARO Cc1cc(C)cc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310331 204271243 /nfs/dbraw/zinc/27/12/43/204271243.db2.gz YIQHOASRZMPPAH-FQEVSTJZSA-N 1 0 380.488 4.240 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)ncn3C2CCCC2)C1 ZINC000008310954 204271260 /nfs/dbraw/zinc/27/12/60/204271260.db2.gz MXDHDTCJBCRPJV-HDICACEKSA-N 1 0 382.552 4.249 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008337124 204273355 /nfs/dbraw/zinc/27/33/55/204273355.db2.gz JGCKATPDPCYDGM-MRXNPFEDSA-N 1 0 384.303 4.442 50 0 GIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1F ZINC000008470496 204276511 /nfs/dbraw/zinc/27/65/11/204276511.db2.gz VOBSDBPZQFWYTQ-MRXNPFEDSA-N 1 0 379.859 4.335 50 0 GIAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1F ZINC000008470490 204276602 /nfs/dbraw/zinc/27/66/02/204276602.db2.gz VOBSDBPZQFWYTQ-INIZCTEOSA-N 1 0 379.859 4.335 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCc2ccccc2)c1 ZINC000036098258 204305845 /nfs/dbraw/zinc/30/58/45/204305845.db2.gz ASDPXKNSBOKTEP-DEOSSOPVSA-N 1 0 391.511 4.275 50 0 GIAARO CC1(C)CC(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC(C)(C)[NH2+]1 ZINC000009368959 204308453 /nfs/dbraw/zinc/30/84/53/204308453.db2.gz VLPHMZJUSBYKJH-UHFFFAOYSA-N 1 0 388.515 4.336 50 0 GIAARO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000009377398 204309317 /nfs/dbraw/zinc/30/93/17/204309317.db2.gz VQQDDDFKSGRJJX-UHFFFAOYSA-N 1 0 380.532 4.123 50 0 GIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc1CO ZINC000011839144 204356346 /nfs/dbraw/zinc/35/63/46/204356346.db2.gz WQMXFSCHRFGFKO-LJQANCHMSA-N 1 0 399.556 4.394 50 0 GIAARO CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000011841453 204356979 /nfs/dbraw/zinc/35/69/79/204356979.db2.gz YNJFNHXDKNCCBC-FQEVSTJZSA-N 1 0 394.515 4.335 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccco2)CC1 ZINC000011842784 204357002 /nfs/dbraw/zinc/35/70/02/204357002.db2.gz YLSWOPYVSFLFLB-QFIPXVFZSA-N 1 0 396.531 4.121 50 0 GIAARO COC(=O)c1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1 ZINC000011879458 204358997 /nfs/dbraw/zinc/35/89/97/204358997.db2.gz LDRUCTZKWBGILL-QFIPXVFZSA-N 1 0 389.499 4.443 50 0 GIAARO COC(=O)c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1 ZINC000011879457 204359547 /nfs/dbraw/zinc/35/95/47/204359547.db2.gz LDRUCTZKWBGILL-JOCHJYFZSA-N 1 0 389.499 4.443 50 0 GIAARO O[C@@H](Cc1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2F)CC1 ZINC000011935087 204363211 /nfs/dbraw/zinc/36/32/11/204363211.db2.gz PYTZWRKDEZCHER-QFIPXVFZSA-N 1 0 397.469 4.171 50 0 GIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1)N1CCOCC1 ZINC000012020001 204367367 /nfs/dbraw/zinc/36/73/67/204367367.db2.gz WKBGJVYWMXXPEG-NRFANRHFSA-N 1 0 392.543 4.205 50 0 GIAARO C[N@@H+]1CCC[C@@H](COc2cccc(CN(C(=O)c3cccc(F)c3)C3CC3)c2)C1 ZINC000012040229 204368202 /nfs/dbraw/zinc/36/82/02/204368202.db2.gz RUJCWKGEXZAHBQ-LJQANCHMSA-N 1 0 396.506 4.351 50 0 GIAARO Cc1ccccc1-c1ccc(C[N@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000012150032 204377014 /nfs/dbraw/zinc/37/70/14/204377014.db2.gz MBSLYBLDWRZJIK-UHFFFAOYSA-N 1 0 385.511 4.292 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(-c2ccccc2F)n1 ZINC000012197841 204380846 /nfs/dbraw/zinc/38/08/46/204380846.db2.gz YHLHWMPCNRHFSX-MRXNPFEDSA-N 1 0 389.478 4.482 50 0 GIAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2Cl)oc1C ZINC000012201355 204382414 /nfs/dbraw/zinc/38/24/14/204382414.db2.gz BXVFVRRMOANKEW-MRXNPFEDSA-N 1 0 375.900 4.184 50 0 GIAARO Cc1ccc(O)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c1 ZINC000012201781 204383044 /nfs/dbraw/zinc/38/30/44/204383044.db2.gz DMQKMETWZNDIPH-RUZDIDTESA-N 1 0 392.543 4.262 50 0 GIAARO Cc1ccccc1-c1cccc(C[N@H+]2CCC(=O)N(Cc3ccncc3)CC2)c1 ZINC000012243898 204386026 /nfs/dbraw/zinc/38/60/26/204386026.db2.gz BHEXPOLDIVPLRV-UHFFFAOYSA-N 1 0 385.511 4.292 50 0 GIAARO C[C@@H]([NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21)c1ccccc1 ZINC000012301425 204390986 /nfs/dbraw/zinc/39/09/86/204390986.db2.gz QNEGDORILRDBGM-LJQANCHMSA-N 1 0 398.510 4.457 50 0 GIAARO COc1ccc(-c2nc(C[N@H+](CC3CC3)C[C@@H]3CCCO3)c(C)o2)cc1OC ZINC000012298728 204391683 /nfs/dbraw/zinc/39/16/83/204391683.db2.gz OVQLAMOXSJVDPT-SFHVURJKSA-N 1 0 386.492 4.058 50 0 GIAARO O=C(NC1CCCCC1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012318977 204394651 /nfs/dbraw/zinc/39/46/51/204394651.db2.gz VZYGQJQTVNKJDP-UHFFFAOYSA-N 1 0 393.531 4.188 50 0 GIAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@](CO)(CCc2ccccc2)C1 ZINC000012316673 204394822 /nfs/dbraw/zinc/39/48/22/204394822.db2.gz DOUMVTVWZZCOAV-DEOSSOPVSA-N 1 0 377.532 4.264 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000012315306 204395045 /nfs/dbraw/zinc/39/50/45/204395045.db2.gz UARAOQUVHOIDFC-XMMPIXPASA-N 1 0 393.506 4.043 50 0 GIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](CC3CCCC3)C2)c(OC)c1 ZINC000012711591 204438534 /nfs/dbraw/zinc/43/85/34/204438534.db2.gz DHRRLCSSRIVDNT-LJQANCHMSA-N 1 0 388.552 4.002 50 0 GIAARO Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)s1 ZINC000012544214 204419876 /nfs/dbraw/zinc/41/98/76/204419876.db2.gz JFVXTYVHSMWNFP-UHFFFAOYSA-N 1 0 383.439 4.079 50 0 GIAARO O[C@]1(c2ccccc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000013512580 204493081 /nfs/dbraw/zinc/49/30/81/204493081.db2.gz OUAGPVMVUQOSDC-FQEVSTJZSA-N 1 0 386.313 4.099 50 0 GIAARO Brc1ccccc1-c1ccc(C[NH2+]CCc2nnc3ccccn32)o1 ZINC000014137413 204523760 /nfs/dbraw/zinc/52/37/60/204523760.db2.gz JRFWAJFBNCIICO-UHFFFAOYSA-N 1 0 397.276 4.084 50 0 GIAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](CC[C@H](C)c3ccccc3)CC2)C1=O ZINC000014541746 204536145 /nfs/dbraw/zinc/53/61/45/204536145.db2.gz OUBQJHXZFWBKNL-FQEVSTJZSA-N 1 0 399.579 4.345 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)NCc2ccccc2)C1 ZINC000014974164 204549437 /nfs/dbraw/zinc/54/94/37/204549437.db2.gz BTPAKMJBYHTFNE-JOCHJYFZSA-N 1 0 379.548 4.091 50 0 GIAARO Cc1ncccc1C(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000014980336 204551698 /nfs/dbraw/zinc/55/16/98/204551698.db2.gz RGUMBIACABSCDR-UHFFFAOYSA-N 1 0 392.547 4.082 50 0 GIAARO COCCNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3cnccc32)s1 ZINC000020201344 204706813 /nfs/dbraw/zinc/70/68/13/204706813.db2.gz BRLRUIOHTRCTEI-IBGZPJMESA-N 1 0 395.528 4.010 50 0 GIAARO COc1ccc(OCC[N@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000020799262 204741122 /nfs/dbraw/zinc/74/11/22/204741122.db2.gz PCFDYRVZWHXXGA-UHFFFAOYSA-N 1 0 387.863 4.274 50 0 GIAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3C)c2C2CC[NH2+]CC2)cc1 ZINC000020940874 204748288 /nfs/dbraw/zinc/74/82/88/204748288.db2.gz NBADNOZEUAKXLG-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccs1 ZINC000023881794 204814129 /nfs/dbraw/zinc/81/41/29/204814129.db2.gz PDNNXZTXODEYBV-QGZVFWFLSA-N 1 0 378.497 4.405 50 0 GIAARO C[C@H]1CN(Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000022932698 204794694 /nfs/dbraw/zinc/79/46/94/204794694.db2.gz MHWRNFKFDKMEMA-SFHVURJKSA-N 1 0 376.504 4.015 50 0 GIAARO O=C(CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc2c(c1)OCO2 ZINC000032825229 204922478 /nfs/dbraw/zinc/92/24/78/204922478.db2.gz IIDYJKGTYMJLBJ-UHFFFAOYSA-N 1 0 391.471 4.105 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(C)cc2C)C[C@H]1c1cccc(OC)c1 ZINC000036345661 205013227 /nfs/dbraw/zinc/01/32/27/205013227.db2.gz KNPJWAHCBGEZEF-QHCPKHFHSA-N 1 0 393.531 4.332 50 0 GIAARO Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036345539 205013608 /nfs/dbraw/zinc/01/36/08/205013608.db2.gz XAXUMUVQXIQGQN-QHCPKHFHSA-N 1 0 375.516 4.405 50 0 GIAARO O[C@@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)COCc1ccccc1Cl ZINC000036396215 205015821 /nfs/dbraw/zinc/01/58/21/205015821.db2.gz YJZKYLICWBIDMW-YJBOKZPZSA-N 1 0 381.900 4.183 50 0 GIAARO CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000038545832 205037519 /nfs/dbraw/zinc/03/75/19/205037519.db2.gz UGGBQTOQPGUEMG-OAQYLSRUSA-N 1 0 386.561 4.425 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000040738787 205070571 /nfs/dbraw/zinc/07/05/71/205070571.db2.gz GQDYLIJDILIBHY-UHFFFAOYSA-N 1 0 390.886 4.160 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)cc(Br)c1OC(C)C ZINC000040719603 205069050 /nfs/dbraw/zinc/06/90/50/205069050.db2.gz DLVLHDBYLPXAMT-INIZCTEOSA-N 1 0 399.373 4.209 50 0 GIAARO COc1cc(C[NH2+]CCCCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000040720924 205069136 /nfs/dbraw/zinc/06/91/36/205069136.db2.gz TUGNGLGFLTZIHQ-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCc3ccccc3F)cc2)cc1 ZINC000040733075 205069566 /nfs/dbraw/zinc/06/95/66/205069566.db2.gz VRDOWXFHTZNTOF-UHFFFAOYSA-N 1 0 392.474 4.484 50 0 GIAARO CCOc1cc(C[NH2+]CCO)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000040742091 205071059 /nfs/dbraw/zinc/07/10/59/205071059.db2.gz JWTCMTMQDBYPGI-UHFFFAOYSA-N 1 0 388.266 4.192 50 0 GIAARO COc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000047396123 205110107 /nfs/dbraw/zinc/11/01/07/205110107.db2.gz LIDAVTGIXCBYPP-UHFFFAOYSA-N 1 0 381.476 4.047 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1)c1ccc(F)cc1 ZINC000048366464 205122239 /nfs/dbraw/zinc/12/22/39/205122239.db2.gz POSUYFKBIMVAPQ-UHFFFAOYSA-N 1 0 397.881 4.422 50 0 GIAARO CC(C)Cc1noc([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)n1 ZINC000055568730 205149421 /nfs/dbraw/zinc/14/94/21/205149421.db2.gz YLYBVLQKCIOHQB-INIZCTEOSA-N 1 0 383.471 4.177 50 0 GIAARO Cc1n[nH]cc1CCC[NH2+][C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000089544532 205186399 /nfs/dbraw/zinc/18/63/99/205186399.db2.gz YYHRZSGPILKHLO-APWZRJJASA-N 1 0 378.561 4.199 50 0 GIAARO Cc1cc(C)n(-c2cccc(NC(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)c2)n1 ZINC000058086356 205164676 /nfs/dbraw/zinc/16/46/76/205164676.db2.gz KHBVVUSXYJOXEB-NRFANRHFSA-N 1 0 383.540 4.121 50 0 GIAARO Cc1ccc(NC(=O)[C@H]([NH2+]CCOc2ccccc2F)c2ccccc2)cc1 ZINC000058123163 205164946 /nfs/dbraw/zinc/16/49/46/205164946.db2.gz WVIIMSOBYZUJLA-JOCHJYFZSA-N 1 0 378.447 4.483 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1cccc(OC(F)F)c1)CC(C)C ZINC000058161816 205165633 /nfs/dbraw/zinc/16/56/33/205165633.db2.gz LCBDGIJKTXXCTM-KRWDZBQOSA-N 1 0 385.499 4.186 50 0 GIAARO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2OC)cc1)C(C)C ZINC000058263973 205171076 /nfs/dbraw/zinc/17/10/76/205171076.db2.gz WZLQEMQFFLTDMZ-KRWDZBQOSA-N 1 0 384.520 4.425 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc(Cl)c1OC ZINC000060829470 205181362 /nfs/dbraw/zinc/18/13/62/205181362.db2.gz LCSKPJGEJUSCKF-QGZVFWFLSA-N 1 0 378.900 4.267 50 0 GIAARO Cc1n[nH]cc1CCC[NH2+][C@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000089544537 205185085 /nfs/dbraw/zinc/18/50/85/205185085.db2.gz YYHRZSGPILKHLO-VQIMIIECSA-N 1 0 378.561 4.199 50 0 GIAARO CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000064593968 205192714 /nfs/dbraw/zinc/19/27/14/205192714.db2.gz GYHLGFPKLFUAIY-UHFFFAOYSA-N 1 0 395.934 4.301 50 0 GIAARO CCCc1ccc(-c2c(-c3ccccc3)ncn2CC[NH+]2CCN(C)CC2)o1 ZINC000065528280 205236178 /nfs/dbraw/zinc/23/61/78/205236178.db2.gz JJAJRBNWHYZGQU-UHFFFAOYSA-N 1 0 378.520 4.010 50 0 GIAARO Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000065553713 205238399 /nfs/dbraw/zinc/23/83/99/205238399.db2.gz OBZRVCMGVGGFKO-PMACEKPBSA-N 1 0 383.561 4.417 50 0 GIAARO Fc1cccc(F)c1CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000065932342 205238805 /nfs/dbraw/zinc/23/88/05/205238805.db2.gz WAUSEOHYCMDSPI-UHFFFAOYSA-N 1 0 398.247 4.221 50 0 GIAARO C[NH+](C)CCn1c(=O)c2ccccc2nc1SCc1c(F)cccc1Cl ZINC000067258712 205244624 /nfs/dbraw/zinc/24/46/24/205244624.db2.gz VKPMBLRDXNGAII-UHFFFAOYSA-N 1 0 391.899 4.043 50 0 GIAARO COC(=O)CCCC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067743061 205258307 /nfs/dbraw/zinc/25/83/07/205258307.db2.gz GLTSTIWIKMMFNO-UHFFFAOYSA-N 1 0 389.879 4.250 50 0 GIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000067878289 205266595 /nfs/dbraw/zinc/26/65/95/205266595.db2.gz HBVDZNZRDBPGMQ-UHFFFAOYSA-N 1 0 393.512 4.366 50 0 GIAARO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000071498069 205286340 /nfs/dbraw/zinc/28/63/40/205286340.db2.gz IISFXVYMDORKEJ-HXUWFJFHSA-N 1 0 394.490 4.010 50 0 GIAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(O)c1 ZINC000071748958 205290147 /nfs/dbraw/zinc/29/01/47/205290147.db2.gz NWEHBKTXXGMBKO-NRFANRHFSA-N 1 0 384.495 4.212 50 0 GIAARO C[NH+]1CCC(C(=O)N2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)CC1 ZINC000071775006 205296913 /nfs/dbraw/zinc/29/69/13/205296913.db2.gz GRPSNQINOVZQLQ-MRXNPFEDSA-N 1 0 382.470 4.218 50 0 GIAARO COc1ccc(-n2c(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)nc3ccccc32)cc1 ZINC000071813615 205299730 /nfs/dbraw/zinc/29/97/30/205299730.db2.gz AYSZDQWQKTUUIQ-KRWDZBQOSA-N 1 0 387.487 4.137 50 0 GIAARO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC(CCc2ccccc2)CC1 ZINC000069443200 205276975 /nfs/dbraw/zinc/27/69/75/205276975.db2.gz HGVLHJLNTZUMJY-DEOSSOPVSA-N 1 0 391.559 4.165 50 0 GIAARO COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c(OC)c1 ZINC000072312740 205323988 /nfs/dbraw/zinc/32/39/88/205323988.db2.gz PALRWKDXEPKPEB-LAUBAEHRSA-N 1 0 386.536 4.022 50 0 GIAARO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000072305264 205321675 /nfs/dbraw/zinc/32/16/75/205321675.db2.gz HSJTYKXMCBXAAS-CABCVRRESA-N 1 0 385.371 4.302 50 0 GIAARO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000072434414 205350670 /nfs/dbraw/zinc/35/06/70/205350670.db2.gz NZZLDENOJKPMJO-IBGZPJMESA-N 1 0 395.890 4.014 50 0 GIAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000072430295 205350870 /nfs/dbraw/zinc/35/08/70/205350870.db2.gz KZSWVDIAOCAQQL-UHFFFAOYSA-N 1 0 384.907 4.060 50 0 GIAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3F)C2)CN1C1CC1 ZINC000077408179 205363168 /nfs/dbraw/zinc/36/31/68/205363168.db2.gz QKTBLFVYAAHFGD-LJQANCHMSA-N 1 0 384.417 4.212 50 0 GIAARO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3F)C2)CN1C1CC1 ZINC000077408178 205363187 /nfs/dbraw/zinc/36/31/87/205363187.db2.gz QKTBLFVYAAHFGD-IBGZPJMESA-N 1 0 384.417 4.212 50 0 GIAARO C[C@@H]1CN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC[N@@H+]1C ZINC000072419945 205346788 /nfs/dbraw/zinc/34/67/88/205346788.db2.gz WEHTVMPGMKJMFE-MRXNPFEDSA-N 1 0 398.913 4.468 50 0 GIAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC4)c1 ZINC000072411206 205346937 /nfs/dbraw/zinc/34/69/37/205346937.db2.gz XDXUHFAUAJWKBZ-OAQYLSRUSA-N 1 0 399.538 4.396 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CC[N@H+](C)[C@H](C)C1 ZINC000072425007 205349675 /nfs/dbraw/zinc/34/96/75/205349675.db2.gz TYNZZWLFJTXWGR-QGZVFWFLSA-N 1 0 396.485 4.262 50 0 GIAARO CCCNc1ncc(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3)CC2)cn1 ZINC000077517911 205364536 /nfs/dbraw/zinc/36/45/36/205364536.db2.gz ANLLPUMZJBLAPC-UHFFFAOYSA-N 1 0 376.508 4.068 50 0 GIAARO Fc1cccc2ccc(CN3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccccc3)C4)nc12 ZINC000095371305 205446507 /nfs/dbraw/zinc/44/65/07/205446507.db2.gz XRULWPFSJLFFMK-SIKLNZKXSA-N 1 0 375.491 4.470 50 0 GIAARO CSc1cccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c1 ZINC000092003392 205432333 /nfs/dbraw/zinc/43/23/33/205432333.db2.gz VRHLYMQZVZMAJF-UHFFFAOYSA-N 1 0 395.572 4.208 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)C2CC2)CC1 ZINC000095530694 205495529 /nfs/dbraw/zinc/49/55/29/205495529.db2.gz HIMGQKRVLQBIIE-UHFFFAOYSA-N 1 0 377.532 4.041 50 0 GIAARO CC1(C)[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000096009166 205514848 /nfs/dbraw/zinc/51/48/48/205514848.db2.gz NQTRESXYLUTSBX-FDFHNCONSA-N 1 0 378.516 4.476 50 0 GIAARO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237459861 205681939 /nfs/dbraw/zinc/68/19/39/205681939.db2.gz PFOFOCJUGBUIIO-FZMZJTMJSA-N 1 0 397.466 4.337 50 0 GIAARO CCOC(=O)/C=C/c1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 ZINC000029117305 206053667 /nfs/dbraw/zinc/05/36/67/206053667.db2.gz WRUGJKGNQPMDQG-MEWQITQSSA-N 1 0 380.488 4.188 50 0 GIAARO O=C(Cc1c(F)cccc1Cl)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689379 206067479 /nfs/dbraw/zinc/06/74/79/206067479.db2.gz GFDHNHCXJABCGB-UHFFFAOYSA-N 1 0 392.927 4.132 50 0 GIAARO O=C(c1cc(-c2ccccc2)on1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225688778 206067739 /nfs/dbraw/zinc/06/77/39/206067739.db2.gz KHAUCXYRPZQBHI-UHFFFAOYSA-N 1 0 393.512 4.066 50 0 GIAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000032915995 206096938 /nfs/dbraw/zinc/09/69/38/206096938.db2.gz VERGMTJWBGSBGA-VSRDTVRMSA-N 1 0 397.950 4.070 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000032678891 206091043 /nfs/dbraw/zinc/09/10/43/206091043.db2.gz CJXPNYFZBMTGPJ-UHFFFAOYSA-N 1 0 377.410 4.100 50 0 GIAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)c(C)o1 ZINC000240540858 206126880 /nfs/dbraw/zinc/12/68/80/206126880.db2.gz GPTKGSAWGYXXAR-UHFFFAOYSA-N 1 0 382.504 4.080 50 0 GIAARO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)C1=O ZINC000014241721 206123463 /nfs/dbraw/zinc/12/34/63/206123463.db2.gz YQKVBGLHINWPPG-NSXLHWASSA-N 1 0 391.515 4.219 50 0 GIAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)C[NH3+])cc2)CC1 ZINC000241316894 206126295 /nfs/dbraw/zinc/12/62/95/206126295.db2.gz LVVVENDLBRUYSE-UKIBZPOASA-N 1 0 399.922 4.036 50 0 GIAARO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000252508356 206141339 /nfs/dbraw/zinc/14/13/39/206141339.db2.gz XLBVUSJHUCOKDJ-UHFFFAOYSA-N 1 0 388.537 4.062 50 0 GIAARO CCCN(CCC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248007094 206136431 /nfs/dbraw/zinc/13/64/31/206136431.db2.gz PTPFOVDUAWOSRJ-LJQANCHMSA-N 1 0 384.568 4.478 50 0 GIAARO Cc1nc2cc(NC(=O)[C@@H](CC(C)C)n3cccc3)ccc2n1CCC[NH+](C)C ZINC000253410249 206145189 /nfs/dbraw/zinc/14/51/89/206145189.db2.gz NBKNJWJLDVVYAN-JOCHJYFZSA-N 1 0 395.551 4.324 50 0 GIAARO CC[NH+](CC)CCNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492579 206182845 /nfs/dbraw/zinc/18/28/45/206182845.db2.gz ZOUCAJWQCYLTMJ-UHFFFAOYSA-N 1 0 397.954 4.078 50 0 GIAARO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)Nc1ccc(F)cc1Cl ZINC000299765481 206185722 /nfs/dbraw/zinc/18/57/22/206185722.db2.gz NPMOZYSYYZKCDS-SFHVURJKSA-N 1 0 376.863 4.223 50 0 GIAARO CCn1cc(-c2cccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)c2)cn1 ZINC000299764356 206185775 /nfs/dbraw/zinc/18/57/75/206185775.db2.gz RWEGEMZSOAIZIB-UHFFFAOYSA-N 1 0 388.515 4.096 50 0 GIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc3n[nH]cc3c2)cc1 ZINC000299801011 206192989 /nfs/dbraw/zinc/19/29/89/206192989.db2.gz XUSNSZJFQHIQTN-NRFANRHFSA-N 1 0 377.492 4.384 50 0 GIAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2cccnc2)cs1 ZINC000004916300 206214660 /nfs/dbraw/zinc/21/46/60/206214660.db2.gz DHPKYRLRVIBWPE-LRDDRELGSA-N 1 0 382.411 4.212 50 0 GIAARO Cc1ccc2nc(CNc3ccccc3C[N@@H+](C)C3CCCCC3)cc(=O)n2c1 ZINC000012554915 221205543 /nfs/dbraw/zinc/20/55/43/221205543.db2.gz FQHMRKLXKLHPBI-UHFFFAOYSA-N 1 0 390.531 4.380 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000014954066 221320718 /nfs/dbraw/zinc/32/07/18/221320718.db2.gz LNPWVADUQVMUFH-GOSISDBHSA-N 1 0 383.442 4.083 50 0 GIAARO CCc1ccc(CN(C)C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000040103952 132396058 /nfs/dbraw/zinc/39/60/58/132396058.db2.gz MAMXKPXNFUHOEV-UHFFFAOYSA-N 1 0 380.536 4.055 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)c(C)c2)CC1 ZINC000040141063 132399825 /nfs/dbraw/zinc/39/98/25/132399825.db2.gz UVHMXUISBAXKMJ-LJQANCHMSA-N 1 0 397.588 4.397 50 0 GIAARO Cc1cc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)nc2ccccc12 ZINC000095528854 136181637 /nfs/dbraw/zinc/18/16/37/136181637.db2.gz FDWAPVHYCJYBOC-UHFFFAOYSA-N 1 0 377.536 4.075 50 0 GIAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)o1 ZINC000064669774 222077370 /nfs/dbraw/zinc/07/73/70/222077370.db2.gz IBBSSYASNJIRPH-UHFFFAOYSA-N 1 0 399.922 4.262 50 0 GIAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2 ZINC000065239009 222114761 /nfs/dbraw/zinc/11/47/61/222114761.db2.gz CLMMVRRSGIRGGP-QGZVFWFLSA-N 1 0 375.582 4.001 50 0 GIAARO COc1ccc(-c2n[nH]cc2-c2c(-c3ccccc3)ncn2[C@H]2CC[NH2+]C2)cc1 ZINC000067847789 222163031 /nfs/dbraw/zinc/16/30/31/222163031.db2.gz MVQNBHHSBYZRQM-SFHVURJKSA-N 1 0 385.471 4.150 50 0 GIAARO CC[C@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000241383380 529289382 /nfs/dbraw/zinc/28/93/82/529289382.db2.gz MUYMWPPXJMNYNH-HNNXBMFYSA-N 1 0 388.943 4.210 50 0 GIAARO CC(C)c1c(C[N@H+](C)[C@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O ZINC000000607861 570210690 /nfs/dbraw/zinc/21/06/90/570210690.db2.gz GNUXVOXXWGNPIV-LJQANCHMSA-N 1 0 377.532 4.362 50 0 world GIAARO COCC[NH+]1CCC(CN(C)C(=O)Nc2ccc(Cl)c(C)c2Cl)CC1 ZINC000096148051 570214632 /nfs/dbraw/zinc/21/46/32/570214632.db2.gz VFPBMGMUNGBQOK-UHFFFAOYSA-N 1 0 388.339 4.124 50 0 GIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3c(C)noc3C)CC2)C1 ZINC000096165455 570217968 /nfs/dbraw/zinc/21/79/68/570217968.db2.gz RPDIRALSNMXZEL-FQEVSTJZSA-N 1 0 381.520 4.023 50 0 GIAARO CN(C)C(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)s1 ZINC000019789675 570219139 /nfs/dbraw/zinc/21/91/39/570219139.db2.gz LHOSLQJSJHDAHO-OAHLLOKOSA-N 1 0 386.546 4.239 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCC(C)CC1)C[C@@H](C)CC2 ZINC000000719337 570219991 /nfs/dbraw/zinc/21/99/91/570219991.db2.gz CSZJIQSHZDOBNJ-HNNXBMFYSA-N 1 0 392.565 4.110 50 0 GIAARO CCC[NH+](CCC)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC000000722326 570220384 /nfs/dbraw/zinc/22/03/84/570220384.db2.gz WOKKBEFVBBFPPK-CQSZACIVSA-N 1 0 380.554 4.110 50 0 GIAARO C[NH+]1CCN(CCO[C@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000019802424 570220884 /nfs/dbraw/zinc/22/08/84/570220884.db2.gz HTQNTTWSGOYWOJ-NRFANRHFSA-N 1 0 388.964 4.299 50 0 aggregator GIAARO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000001457682 570227104 /nfs/dbraw/zinc/22/71/04/570227104.db2.gz FULQXYBOULYRBB-XMMPIXPASA-N 1 0 398.506 4.426 50 0 GIAARO Oc1ccc(-c2nnc(SCC[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000000886657 570228391 /nfs/dbraw/zinc/22/83/91/570228391.db2.gz GXPZLBUZEOYWID-UHFFFAOYSA-N 1 0 380.517 4.218 50 0 GIAARO Brc1cccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC000019900161 570228693 /nfs/dbraw/zinc/22/86/93/570228693.db2.gz QTXIZVKOWHIBHE-UHFFFAOYSA-N 1 0 384.321 4.248 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccco2)CC1)c1cccc(-c2ccc(O)cc2)c1 ZINC000097213189 570238206 /nfs/dbraw/zinc/23/82/06/570238206.db2.gz VMXVFWCBLRIKPN-UHFFFAOYSA-N 1 0 376.456 4.047 50 0 GIAARO Cc1ccc(-n2ncc(C(=O)Nc3ccccc3F)c2C2CC[NH2+]CC2)cc1 ZINC000015772731 570241090 /nfs/dbraw/zinc/24/10/90/570241090.db2.gz JVPDVDXKCIGZJI-UHFFFAOYSA-N 1 0 378.451 4.039 50 0 GIAARO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000048361604 570243166 /nfs/dbraw/zinc/24/31/66/570243166.db2.gz IMJSKBQAYNBWHL-LJQANCHMSA-N 1 0 395.547 4.276 50 0 GIAARO COc1cccc([C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)c1OC ZINC000097773194 570254877 /nfs/dbraw/zinc/25/48/77/570254877.db2.gz IBJXDXHUKPNFTG-INIZCTEOSA-N 1 0 381.451 4.223 50 0 GIAARO COc1ccccc1Oc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000097775534 570255303 /nfs/dbraw/zinc/25/53/03/570255303.db2.gz LUKIUYKVDGFALU-JOCHJYFZSA-N 1 0 381.476 4.095 50 0 GIAARO COc1ccc(NC(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000097784856 570256026 /nfs/dbraw/zinc/25/60/26/570256026.db2.gz MYGZMSDWJADKAH-QGZVFWFLSA-N 1 0 387.911 4.382 50 0 GIAARO COc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)cc(Cl)c1O ZINC000020451216 570257503 /nfs/dbraw/zinc/25/75/03/570257503.db2.gz GAQVFHXYQSKCJC-QFIPXVFZSA-N 1 0 389.923 4.180 50 0 GIAARO Brc1cccc(OCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020500074 570264384 /nfs/dbraw/zinc/26/43/84/570264384.db2.gz OJMMIKBSWDFJSK-UHFFFAOYSA-N 1 0 389.337 4.036 50 0 GIAARO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)o1 ZINC000020542216 570267313 /nfs/dbraw/zinc/26/73/13/570267313.db2.gz NWDCSMDOJGYFDY-GOSISDBHSA-N 1 0 382.533 4.388 50 0 GIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574497 570268805 /nfs/dbraw/zinc/26/88/05/570268805.db2.gz OXFIEPRVTUOTDN-HUUCEWRRSA-N 1 0 383.471 4.489 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000020574445 570268819 /nfs/dbraw/zinc/26/88/19/570268819.db2.gz PGUMRZKLUVQKCP-GASCZTMLSA-N 1 0 383.471 4.204 50 0 GIAARO CCNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)s1 ZINC000020601096 570270120 /nfs/dbraw/zinc/27/01/20/570270120.db2.gz XZMSBZJXWAYRRT-GOSISDBHSA-N 1 0 380.517 4.021 50 0 GIAARO CCC(CC)C(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000022632770 570270803 /nfs/dbraw/zinc/27/08/03/570270803.db2.gz XOQZKGHFFGROLP-UHFFFAOYSA-N 1 0 376.544 4.455 50 0 GIAARO O=C1O[C@@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)Cc2ccccc21 ZINC000113719417 570272497 /nfs/dbraw/zinc/27/24/97/570272497.db2.gz APGYZMYJPIHKQE-HXUWFJFHSA-N 1 0 389.455 4.177 50 0 GIAARO COc1ccc(C[N@@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)CC(C)C)cc1OC ZINC000015862341 570278870 /nfs/dbraw/zinc/27/88/70/570278870.db2.gz GPBGBHYSRSXREW-UHFFFAOYSA-N 1 0 398.478 4.343 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)C(C)(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000002265397 570280695 /nfs/dbraw/zinc/28/06/95/570280695.db2.gz AVACMHYVATYPKG-UHFFFAOYSA-N 1 0 399.538 4.383 50 0 GIAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3cc(OC)c(O)cc3Cl)C2)cc1 ZINC000020855434 570282245 /nfs/dbraw/zinc/28/22/45/570282245.db2.gz SDYZWYMNLQJXRY-INIZCTEOSA-N 1 0 376.884 4.139 50 0 GIAARO C[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000020908540 570284043 /nfs/dbraw/zinc/28/40/43/570284043.db2.gz VKLPEKAHXHZFMQ-UHFFFAOYSA-N 1 0 386.499 4.092 50 0 GIAARO COc1cc(Br)cc(C[NH2+]CCc2ccc(Cl)cc2)c1OC ZINC000020933975 570285418 /nfs/dbraw/zinc/28/54/18/570285418.db2.gz VMWFMUAQFFSBSP-UHFFFAOYSA-N 1 0 384.701 4.452 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 ZINC000012893067 570286542 /nfs/dbraw/zinc/28/65/42/570286542.db2.gz GOWHCEFFGJDSOO-INIZCTEOSA-N 1 0 382.895 4.432 50 0 GIAARO COCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873901 570287925 /nfs/dbraw/zinc/28/79/25/570287925.db2.gz LUCVVSGEOQDOJD-UHFFFAOYSA-N 1 0 394.309 4.081 50 0 GIAARO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cc(C)ccc2C)c1 ZINC000012909026 570291091 /nfs/dbraw/zinc/29/10/91/570291091.db2.gz ZDRRFTRIRYGAHH-GOSISDBHSA-N 1 0 381.520 4.075 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1cccs1 ZINC000021805504 570296748 /nfs/dbraw/zinc/29/67/48/570296748.db2.gz LHPZADYCXQRQAQ-LJQANCHMSA-N 1 0 395.528 4.315 50 0 GIAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C[NH+]2CCCCC2)cc1 ZINC000034697768 570298887 /nfs/dbraw/zinc/29/88/87/570298887.db2.gz MLMYICXUXVTLLJ-GGAORHGYSA-N 1 0 380.507 4.476 50 0 GIAARO Cc1cc(C(=O)CCC(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)s1 ZINC000021962592 570300391 /nfs/dbraw/zinc/30/03/91/570300391.db2.gz WUSDFYALXUOHBC-UHFFFAOYSA-N 1 0 384.545 4.240 50 0 GIAARO Cc1cc(OC[C@H](O)CNCC[NH+](C(C)C)C(C)C)c(C(C)C)cc1Cl ZINC000022029585 570302703 /nfs/dbraw/zinc/30/27/03/570302703.db2.gz PVNHDIUSSNGKJM-GOSISDBHSA-N 1 0 384.992 4.220 50 0 GIAARO Cn1c2ccccc2nc1CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000022288956 570312382 /nfs/dbraw/zinc/31/23/82/570312382.db2.gz AOGMJWOSDJEOGG-UHFFFAOYSA-N 1 0 394.522 4.461 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000022679731 570324203 /nfs/dbraw/zinc/32/42/03/570324203.db2.gz QBZJIQNAGBTBFU-GOSISDBHSA-N 1 0 392.421 4.281 50 0 GIAARO CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 ZINC000022777225 570326853 /nfs/dbraw/zinc/32/68/53/570326853.db2.gz DKKDLBZUAWQACB-GOSISDBHSA-N 1 0 392.547 4.169 50 0 GIAARO COCCNC(=O)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739881 570327402 /nfs/dbraw/zinc/32/74/02/570327402.db2.gz DTICTTJHWJCJNO-FPOVZHCZSA-N 1 0 386.923 4.056 50 0 GIAARO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000000785874 570329022 /nfs/dbraw/zinc/32/90/22/570329022.db2.gz DBCSUPXXVQSUBA-UHFFFAOYSA-N 1 0 380.532 4.346 50 0 GIAARO Cc1sc2nc([C@@H](C)N3CC[NH+](Cc4ccccc4C)CC3)nc(N)c2c1C ZINC000022809165 570329572 /nfs/dbraw/zinc/32/95/72/570329572.db2.gz CYNXKBWHLCBSAR-MRXNPFEDSA-N 1 0 395.576 4.078 50 0 GIAARO CC(C)Oc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1Br ZINC000113401291 570332507 /nfs/dbraw/zinc/33/25/07/570332507.db2.gz JMIAIFAMMATTQV-UHFFFAOYSA-N 1 0 388.309 4.445 50 0 GIAARO CCc1noc([C@@H](C)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022931991 570337126 /nfs/dbraw/zinc/33/71/26/570337126.db2.gz XONSJJBZWUNIGL-GOSISDBHSA-N 1 0 376.504 4.100 50 0 GIAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000237267895 570341753 /nfs/dbraw/zinc/34/17/53/570341753.db2.gz AMTRWUNWAKOBJK-ZDUSSCGKSA-N 1 0 397.466 4.209 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000023074786 570342702 /nfs/dbraw/zinc/34/27/02/570342702.db2.gz YJOVXFUHGUYVGR-UHFFFAOYSA-N 1 0 377.410 4.016 50 0 GIAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccccc1Cl ZINC000023251481 570352820 /nfs/dbraw/zinc/35/28/20/570352820.db2.gz FUMJTBJRQNXKMJ-UHFFFAOYSA-N 1 0 393.918 4.250 50 0 GIAARO Cc1ccc(C2(c3noc(CN(C)CC[NH+]4CCCCC4)n3)CCCC2)cc1 ZINC000023372906 570357793 /nfs/dbraw/zinc/35/77/93/570357793.db2.gz DZBBINDWXFABQA-UHFFFAOYSA-N 1 0 382.552 4.156 50 0 GIAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000100405547 570358232 /nfs/dbraw/zinc/35/82/32/570358232.db2.gz OKFIQTKGUZVZIM-XMMPIXPASA-N 1 0 379.463 4.121 50 0 GIAARO Cc1cc(C(=O)CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(C)s1 ZINC000023741484 570371094 /nfs/dbraw/zinc/37/10/94/570371094.db2.gz XDTQHZNKULQKAE-FQEVSTJZSA-N 1 0 384.545 4.281 50 0 GIAARO C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)[C@H](O)c1ccc(O)cc1 ZINC000023935781 570375590 /nfs/dbraw/zinc/37/55/90/570375590.db2.gz QTHMKDAEOJUAAD-XCLFUZPHSA-N 1 0 380.469 4.474 50 0 GIAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCc2ccccn2)c1 ZINC000024106090 570378785 /nfs/dbraw/zinc/37/87/85/570378785.db2.gz VAGNFDUFULEXTQ-UHFFFAOYSA-N 1 0 398.510 4.334 50 0 GIAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000024556135 570385481 /nfs/dbraw/zinc/38/54/81/570385481.db2.gz LICSFZVQSLREQG-JOCHJYFZSA-N 1 0 379.479 4.111 50 0 GIAARO Clc1ccc(/C=C\C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000035539945 570391816 /nfs/dbraw/zinc/39/18/16/570391816.db2.gz NACITKBIKLAARE-XQRVVYSFSA-N 1 0 385.924 4.101 50 0 GIAARO CC1(C)CC(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000012998280 570411125 /nfs/dbraw/zinc/41/11/25/570411125.db2.gz YTKLCYGSZZVXEQ-UHFFFAOYSA-N 1 0 382.479 4.096 50 0 GIAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)COc3ccccc3)sc2cc1C ZINC000005152697 570429085 /nfs/dbraw/zinc/42/90/85/570429085.db2.gz IQOQRTHGKYXRBL-UHFFFAOYSA-N 1 0 397.544 4.277 50 0 GIAARO CC(C)Cn1ccc2cc(NC(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)ccc21 ZINC000242338966 570432375 /nfs/dbraw/zinc/43/23/75/570432375.db2.gz ZDVRLEZRGXLOBD-DWLFOUALSA-N 1 0 380.536 4.245 50 0 GIAARO C[C@@H](NC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(F)cc1 ZINC000027345287 570433540 /nfs/dbraw/zinc/43/35/40/570433540.db2.gz MIIWFSKJRLTULS-UZLBHIALSA-N 1 0 397.494 4.174 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCCCC2)cc1 ZINC000027581816 570436606 /nfs/dbraw/zinc/43/66/06/570436606.db2.gz FMDNDZPFANJFRS-QFIPXVFZSA-N 1 0 380.532 4.334 50 0 GIAARO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000027793481 570442929 /nfs/dbraw/zinc/44/29/29/570442929.db2.gz OUGZNIRRPPIZFH-UYAOXDASSA-N 1 0 384.520 4.432 50 0 GIAARO Cc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000248153938 570444647 /nfs/dbraw/zinc/44/46/47/570444647.db2.gz KWOYVXFZQXERPH-RXVVDRJESA-N 1 0 394.515 4.171 50 0 GIAARO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC000026895616 570451584 /nfs/dbraw/zinc/45/15/84/570451584.db2.gz WVPYSZULKPMZLZ-UHFFFAOYSA-N 1 0 391.515 4.445 50 0 in-vitro GIAARO CC(C)(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000028288707 570455046 /nfs/dbraw/zinc/45/50/46/570455046.db2.gz GPWFIZDHDQMRGM-JOCHJYFZSA-N 1 0 380.532 4.316 50 0 GIAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)cc1 ZINC000028289268 570455181 /nfs/dbraw/zinc/45/51/81/570455181.db2.gz SVIVVTHHDYVRRP-QFIPXVFZSA-N 1 0 382.548 4.344 50 0 GIAARO CCc1ccc(OCC(=O)NC[C@H](c2ccc(CC)cc2)[NH+]2CCCC2)cc1 ZINC000028293148 570456953 /nfs/dbraw/zinc/45/69/53/570456953.db2.gz FHXBMRFWOIJPCL-HSZRJFAPSA-N 1 0 380.532 4.144 50 0 GIAARO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030269055 570487872 /nfs/dbraw/zinc/48/78/72/570487872.db2.gz XHBDRCUEBHOMGZ-INIZCTEOSA-N 1 0 381.451 4.102 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1 ZINC000030710731 570493916 /nfs/dbraw/zinc/49/39/16/570493916.db2.gz NHBBVLFAOPNVGJ-LJQANCHMSA-N 1 0 397.569 4.468 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(Cl)cc1 ZINC000032623068 570512521 /nfs/dbraw/zinc/51/25/21/570512521.db2.gz ORYOSBAXTRHNHI-OAHLLOKOSA-N 1 0 375.881 4.089 50 0 GIAARO COc1ccc(-c2csc3[nH]c(C[N@H+](C)C4CCCCC4)nc(=O)c23)cc1 ZINC000036204008 570568504 /nfs/dbraw/zinc/56/85/04/570568504.db2.gz QCGWXELMHXXUEW-UHFFFAOYSA-N 1 0 383.517 4.425 50 0 GIAARO O=C(/C=C/c1ccccc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012054584 570602116 /nfs/dbraw/zinc/60/21/16/570602116.db2.gz NGKOGXMIWYFZOB-BYUVYSIJSA-N 1 0 396.575 4.362 50 0 GIAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)CCCc2cccs2)CC1 ZINC000012058373 570603471 /nfs/dbraw/zinc/60/34/71/570603471.db2.gz AYGKYVDODGUPAY-UHFFFAOYSA-N 1 0 384.589 4.484 50 0 GIAARO COc1cc(O)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012151451 570618050 /nfs/dbraw/zinc/61/80/50/570618050.db2.gz IQFXGYQHQOHLJO-OAHLLOKOSA-N 1 0 399.441 4.449 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccco1 ZINC000012387022 570651883 /nfs/dbraw/zinc/65/18/83/570651883.db2.gz FBSBWAWIISMTQX-KRWDZBQOSA-N 1 0 394.437 4.325 50 0 GIAARO C[C@@H](Cc1cccnc1)[NH2+]C1CCN(c2cccc(-c3cscn3)c2)CC1 ZINC000048066896 570655277 /nfs/dbraw/zinc/65/52/77/570655277.db2.gz WDNUTXFDAFGWJY-KRWDZBQOSA-N 1 0 378.545 4.395 50 0 GIAARO Cc1occc1C(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012434554 570661563 /nfs/dbraw/zinc/66/15/63/570661563.db2.gz LUKDEJYBGBUMPR-UHFFFAOYSA-N 1 0 381.520 4.280 50 0 GIAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(CCC(=O)NCc3cccnc3)CC1)=CC2 ZINC000012435220 570662121 /nfs/dbraw/zinc/66/21/21/570662121.db2.gz ZQNYRFFHGZLIGR-VXKWHMMOSA-N 1 0 381.564 4.182 50 0 GIAARO Cc1ncccc1C(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012442880 570665108 /nfs/dbraw/zinc/66/51/08/570665108.db2.gz JAHFRIYUIYYGDL-SFHVURJKSA-N 1 0 399.485 4.043 50 0 GIAARO CC(=O)c1cccc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1 ZINC000012454668 570668664 /nfs/dbraw/zinc/66/86/64/570668664.db2.gz RVHKTULDAUQISH-UHFFFAOYSA-N 1 0 394.519 4.052 50 0 GIAARO O=C(c1cnc2ccccc2c1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012443732 570677879 /nfs/dbraw/zinc/67/78/79/570677879.db2.gz DQLZVCNJRLJDAO-SANMLTNESA-N 1 0 399.538 4.406 50 0 GIAARO c1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000054959774 570678885 /nfs/dbraw/zinc/67/88/85/570678885.db2.gz AAYSHLJKTASVMS-UHFFFAOYSA-N 1 0 378.545 4.282 50 0 GIAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)CC1 ZINC000055060772 570680923 /nfs/dbraw/zinc/68/09/23/570680923.db2.gz ITYOKDGVXUVNIO-JOCHJYFZSA-N 1 0 383.580 4.078 50 0 GIAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000012576502 570682523 /nfs/dbraw/zinc/68/25/23/570682523.db2.gz UAHXSBSPQPUNPQ-UHFFFAOYSA-N 1 0 382.479 4.322 50 0 GIAARO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC(C)C)c(CO)c2)C1 ZINC000012714385 570703921 /nfs/dbraw/zinc/70/39/21/570703921.db2.gz RMSNXSKKEIUGKB-SFHVURJKSA-N 1 0 387.545 4.431 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccnc(Cl)c4)C3)C2)c1 ZINC000012715086 570704153 /nfs/dbraw/zinc/70/41/53/570704153.db2.gz RQGJNIZLXRHCNC-JOCHJYFZSA-N 1 0 383.923 4.172 50 0 GIAARO Oc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2nc(Cc3ccccc3)no2)c1 ZINC000012716811 570704863 /nfs/dbraw/zinc/70/48/63/570704863.db2.gz SWJHJZAWDXNYBY-HXUWFJFHSA-N 1 0 377.488 4.353 50 0 GIAARO C[NH+](C)CCCN(C(=O)Cc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000004359819 570706341 /nfs/dbraw/zinc/70/63/41/570706341.db2.gz VJFBHUKRYNEEID-UHFFFAOYSA-N 1 0 389.471 4.102 50 0 GIAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012744137 570707619 /nfs/dbraw/zinc/70/76/19/570707619.db2.gz BBNPKIHIVHVPHG-SFHVURJKSA-N 1 0 387.907 4.114 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)c1cccs1 ZINC000012788242 570713010 /nfs/dbraw/zinc/71/30/10/570713010.db2.gz FJOITVXSHADTAQ-OAHLLOKOSA-N 1 0 392.322 4.025 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000017911463 570719127 /nfs/dbraw/zinc/71/91/27/570719127.db2.gz RONNJROAXRRVPD-QFIPXVFZSA-N 1 0 382.504 4.049 50 0 GIAARO OCC1(Cc2ccccc2Cl)CC[NH+](Cc2cccn2-c2cccnc2)CC1 ZINC000015073810 570723743 /nfs/dbraw/zinc/72/37/43/570723743.db2.gz KKRQCXWOEHYYIW-UHFFFAOYSA-N 1 0 395.934 4.343 50 0 GIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000012998643 570740166 /nfs/dbraw/zinc/74/01/66/570740166.db2.gz ALHPHZBGMBUFFW-QFIPXVFZSA-N 1 0 395.503 4.209 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)c1cc2c(s1)CC[C@@H](C)C2)[NH+]1CCCC1 ZINC000032688923 570740736 /nfs/dbraw/zinc/74/07/36/570740736.db2.gz RYUDAEZDJXKODK-APWZRJJASA-N 1 0 398.572 4.448 50 0 GIAARO Cc1cccc(C[N@H+]2CCCN(c3ncccc3-c3nc(C(C)C)no3)CC2)c1 ZINC000065257911 570758961 /nfs/dbraw/zinc/75/89/61/570758961.db2.gz ABWKECODEUBUPU-UHFFFAOYSA-N 1 0 391.519 4.276 50 0 GIAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)n3cc(C)sc3n2)CC(C)C)cc1 ZINC000033069020 570775171 /nfs/dbraw/zinc/77/51/71/570775171.db2.gz PDPAVJADVIRSKO-UHFFFAOYSA-N 1 0 385.533 4.121 50 0 GIAARO CC[NH+](CC)CCNCc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000022022887 570777788 /nfs/dbraw/zinc/77/77/88/570777788.db2.gz ZMFXYHSVMMQBED-UHFFFAOYSA-N 1 0 385.577 4.311 50 0 GIAARO Cc1cc(-c2ccc(C[NH2+]CCCN3CCCC3=O)o2)ccc1Br ZINC000013727987 570782262 /nfs/dbraw/zinc/78/22/62/570782262.db2.gz JZHSJFLDKSDWNQ-UHFFFAOYSA-N 1 0 391.309 4.120 50 0 GIAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2ccccc2c1 ZINC000014112721 570823550 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GIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000032862317 570861085 /nfs/dbraw/zinc/86/10/85/570861085.db2.gz SMRIMHYHEHSTHA-KRWDZBQOSA-N 1 0 389.883 4.273 50 0 GIAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)c1cccc(Cl)c1 ZINC000014879209 570863359 /nfs/dbraw/zinc/86/33/59/570863359.db2.gz YHHOUXFWAVQTFD-OAQYLSRUSA-N 1 0 398.934 4.284 50 0 GIAARO O=C(c1ccsc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000014947773 570865103 /nfs/dbraw/zinc/86/51/03/570865103.db2.gz ATWLXBSCVBQDGS-FQEVSTJZSA-N 1 0 376.472 4.155 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccc(C)nc1 ZINC000014957260 570866231 /nfs/dbraw/zinc/86/62/31/570866231.db2.gz AEMVKEBTDWJSEB-UHFFFAOYSA-N 1 0 379.548 4.115 50 0 GIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cccc(F)c4)CC3)on2)c1 ZINC000014958620 570866295 /nfs/dbraw/zinc/86/62/95/570866295.db2.gz OZYGHXSISCOVBW-UHFFFAOYSA-N 1 0 396.462 4.059 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCc2ccccc2)C1 ZINC000014974161 570867971 /nfs/dbraw/zinc/86/79/71/570867971.db2.gz BTPAKMJBYHTFNE-QFIPXVFZSA-N 1 0 379.548 4.091 50 0 GIAARO CC(=O)c1cccc(NC(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000014981693 570869820 /nfs/dbraw/zinc/86/98/20/570869820.db2.gz TZBPNWFGNGCHRX-JOCHJYFZSA-N 1 0 379.504 4.060 50 0 GIAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)o1 ZINC000015062711 570874722 /nfs/dbraw/zinc/87/47/22/570874722.db2.gz JQYVQDCNJFGILS-QGZVFWFLSA-N 1 0 386.923 4.301 50 0 GIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cccs1 ZINC000015072349 570877703 /nfs/dbraw/zinc/87/77/03/570877703.db2.gz AKAPWCDFSQZBKW-LJQANCHMSA-N 1 0 386.561 4.174 50 0 GIAARO O=C(OCc1nc(-c2cccs2)no1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000032882770 570884305 /nfs/dbraw/zinc/88/43/05/570884305.db2.gz DNHCXEUPCGUMKB-UHFFFAOYSA-N 1 0 383.473 4.141 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccc(C(C)(C)C)cc1 ZINC000015859882 570906647 /nfs/dbraw/zinc/90/66/47/570906647.db2.gz XWMHUGGOMJOXBC-FQEVSTJZSA-N 1 0 392.499 4.123 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000015859701 570906856 /nfs/dbraw/zinc/90/68/56/570906856.db2.gz AKCPHWPGLKRKSK-GOSISDBHSA-N 1 0 381.501 4.360 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)[NH+]2CCCC2)o1 ZINC000015860247 570907060 /nfs/dbraw/zinc/90/70/60/570907060.db2.gz NVYSIXZGGRNKLV-GOSISDBHSA-N 1 0 390.911 4.190 50 0 GIAARO CC(C)c1c(C(=O)NC2CC[NH+](C(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000023110375 570907406 /nfs/dbraw/zinc/90/74/06/570907406.db2.gz GZIXONHLCQOQMK-UHFFFAOYSA-N 1 0 388.943 4.252 50 0 GIAARO Cc1ccc([C@H](NC(=O)C[NH2+]CCOc2ccccc2F)c2cccs2)cc1 ZINC000016695457 570931307 /nfs/dbraw/zinc/93/13/07/570931307.db2.gz SMUGCHKCFUUDFY-QFIPXVFZSA-N 1 0 398.503 4.070 50 0 GIAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(OCC)cc2)cc1 ZINC000016852014 570934317 /nfs/dbraw/zinc/93/43/17/570934317.db2.gz PZCTYFVVWFJKID-XMMPIXPASA-N 1 0 395.523 4.134 50 0 GIAARO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cn1 ZINC000092786101 570934316 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Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000084053116 570992246 /nfs/dbraw/zinc/99/22/46/570992246.db2.gz CSPPASXWTOFSSS-SFHVURJKSA-N 1 0 395.528 4.035 50 0 GIAARO CO[C@@H](C)c1nc(CN2CC[NH+]([C@H]3CCCCc4ccccc43)CC2)cs1 ZINC000170656694 571000100 /nfs/dbraw/zinc/00/01/00/571000100.db2.gz DRJOABVYUCRFHF-UWJYYQICSA-N 1 0 385.577 4.436 50 0 GIAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000091254380 571001025 /nfs/dbraw/zinc/00/10/25/571001025.db2.gz NZRRVDTXIXBLPE-GOSISDBHSA-N 1 0 395.572 4.478 50 0 GIAARO CCCc1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)o1 ZINC000091416726 571006713 /nfs/dbraw/zinc/00/67/13/571006713.db2.gz JRRVEWCRXXYQCP-UHFFFAOYSA-N 1 0 381.520 4.032 50 0 GIAARO O=C(CCCc1nc2ccccc2s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012758705 571007880 /nfs/dbraw/zinc/00/78/80/571007880.db2.gz CMGDECAFXCGSLA-GOSISDBHSA-N 1 0 379.529 4.010 50 0 GIAARO Cc1ccc(C)c(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)c1 ZINC000091504160 571011770 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CC(=O)c1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000095367941 571059427 /nfs/dbraw/zinc/05/94/27/571059427.db2.gz VGFFEUYXKYMDFH-KSEOMHKRSA-N 1 0 384.520 4.152 50 0 GIAARO O=C(c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095371829 571061163 /nfs/dbraw/zinc/06/11/63/571061163.db2.gz OGVKTOZDIMYESJ-MAUKXSAKSA-N 1 0 390.861 4.355 50 0 GIAARO COCC[NH+]1CCC(CN(C)C(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000095504321 571078023 /nfs/dbraw/zinc/07/80/23/571078023.db2.gz ASKFURKYEXBGBI-UHFFFAOYSA-N 1 0 381.520 4.176 50 0 GIAARO Cc1nc2cc(C(=O)N3C[C@@H](c4ccc(C)cc4)[C@H]([NH+](C)C)C3)ccc2s1 ZINC000095508678 571080352 /nfs/dbraw/zinc/08/03/52/571080352.db2.gz VYPUABUNZOCGCA-AZUAARDMSA-N 1 0 379.529 4.083 50 0 GIAARO O=C(N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1)N1CCCC1 ZINC000095521904 571087703 /nfs/dbraw/zinc/08/77/03/571087703.db2.gz JEEODYPTEKIVRB-NRFANRHFSA-N 1 0 384.568 4.144 50 0 GIAARO C[N@H+](C[C@@H](O)COc1cccc(CN2Cc3ccccc3C2)c1)C1CCCCC1 ZINC000095526388 571091126 /nfs/dbraw/zinc/09/11/26/571091126.db2.gz YZHPRRTVTRWSSM-XMMPIXPASA-N 1 0 394.559 4.207 50 0 GIAARO CC1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000176088116 823116560 /nfs/dbraw/zinc/11/65/60/823116560.db2.gz VYJKPCYREQUJGH-LJQANCHMSA-N 1 0 397.563 4.152 50 0 GIAARO c1ccc(C[NH+]2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000057061422 823245736 /nfs/dbraw/zinc/24/57/36/823245736.db2.gz WRUWEFGQXGJSBK-UHFFFAOYSA-N 1 0 381.483 4.014 50 0 GIAARO Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)N[C@H](C)C[NH+](C(C)C)C(C)C ZINC000002781211 817399935 /nfs/dbraw/zinc/39/99/35/817399935.db2.gz FINJLLXDHQGILN-DGCLKSJQSA-N 1 0 396.885 4.048 50 0 GIAARO CCOC(=O)c1c(-c2ccccc2)c2cc(OC)ccc2n1CCC[NH+](C)C ZINC000002941566 817407390 /nfs/dbraw/zinc/40/73/90/817407390.db2.gz XOIIRTQBVGWQOQ-UHFFFAOYSA-N 1 0 380.488 4.445 50 0 GIAARO C[N@H+](CCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)Cc1ccccc1 ZINC000003026008 817412094 /nfs/dbraw/zinc/41/20/94/817412094.db2.gz GCABEPADACICLT-UHFFFAOYSA-N 1 0 396.494 4.159 50 0 GIAARO COc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)cc1Cl ZINC000003058376 817416152 /nfs/dbraw/zinc/41/61/52/817416152.db2.gz XWIJUUNBOCZGIF-UHFFFAOYSA-N 1 0 381.973 4.384 50 0 GIAARO COc1ccccc1[C@@H](CNC(=S)Nc1cccc(C)c1C)[NH+]1CCCC1 ZINC000003351578 817441224 /nfs/dbraw/zinc/44/12/24/817441224.db2.gz RBRXQWLXUCHAII-HXUWFJFHSA-N 1 0 383.561 4.436 50 0 GIAARO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccc(CC(C)C)cc1)[N@H+](C)CC3)OCO2 ZINC000004029514 817497385 /nfs/dbraw/zinc/49/73/85/817497385.db2.gz OVAVSXLWDUCRCT-WOJBJXKFSA-N 1 0 397.515 4.275 50 0 GIAARO O=C(CC[C@H]1CCC[N@@H+](C2CCSCC2)C1)NCc1ccccc1Cl ZINC000012053622 818139032 /nfs/dbraw/zinc/13/90/32/818139032.db2.gz PGNPHTUDPKPYSW-MRXNPFEDSA-N 1 0 380.985 4.344 50 0 GIAARO Cc1ccccc1-c1c[nH]nc1C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012099055 818142061 /nfs/dbraw/zinc/14/20/61/818142061.db2.gz FSFXJBNKXDVRMF-UHFFFAOYSA-N 1 0 375.472 4.493 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCc1ccccn1 ZINC000012304524 818153798 /nfs/dbraw/zinc/15/37/98/818153798.db2.gz VXXWTFJDZBHLGH-FQEVSTJZSA-N 1 0 399.966 4.081 50 0 GIAARO COc1cc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(C)o3)C2)cc(OC)c1 ZINC000012387172 818156520 /nfs/dbraw/zinc/15/65/20/818156520.db2.gz YWQBGWUENUCJCW-KRWDZBQOSA-N 1 0 386.492 4.236 50 0 GIAARO CSC[C@@H](C)[NH+]1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 ZINC000012455604 818161010 /nfs/dbraw/zinc/16/10/10/818161010.db2.gz QTXLOAOCPJOSCW-CQSZACIVSA-N 1 0 399.000 4.463 50 0 GIAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000012455547 818161101 /nfs/dbraw/zinc/16/11/01/818161101.db2.gz KOOTVWZUMVWFSZ-UHFFFAOYSA-N 1 0 386.499 4.250 50 0 GIAARO CC1=C(CC[N@@H+]2CCC[C@@H](CCC(=O)N3CCOCC3)C2)C(C)(C)CCC1 ZINC000012570524 818166759 /nfs/dbraw/zinc/16/67/59/818166759.db2.gz QOSPUUGRLMFTCB-FQEVSTJZSA-N 1 0 376.585 4.254 50 0 GIAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000012588812 818169113 /nfs/dbraw/zinc/16/91/13/818169113.db2.gz DPOJLPHKRVTSPI-GOSISDBHSA-N 1 0 375.900 4.184 50 0 GIAARO O=C(/C=C/c1nc2ccccc2s1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000012815059 818183963 /nfs/dbraw/zinc/18/39/63/818183963.db2.gz VTLACJUJOQLOTL-ZNFPLGDCSA-N 1 0 383.542 4.324 50 0 GIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3C=C12 ZINC000012885874 818191815 /nfs/dbraw/zinc/19/18/15/818191815.db2.gz QAWLQHTXXUNGCV-SWXWDQRWSA-N 1 0 398.591 4.171 50 0 GIAARO CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000013363913 818210759 /nfs/dbraw/zinc/21/07/59/818210759.db2.gz WIURVSUKTYNSNF-UHFFFAOYSA-N 1 0 385.483 4.258 50 0 GIAARO COc1ccccc1C[C@H](C)[N@H+]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000014968376 818279873 /nfs/dbraw/zinc/27/98/73/818279873.db2.gz YVTRQVBQWVOJAU-KRWDZBQOSA-N 1 0 386.923 4.014 50 0 GIAARO C[N@H+](Cc1cc(-c2ccccc2)on1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000015070530 818287438 /nfs/dbraw/zinc/28/74/38/818287438.db2.gz ISHHGIDZQCLOIX-JOCHJYFZSA-N 1 0 389.499 4.355 50 0 GIAARO C/C=C/c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000016199634 818406131 /nfs/dbraw/zinc/40/61/31/818406131.db2.gz TYXLSQVPNVZMLF-XBXARRHUSA-N 1 0 394.515 4.131 50 0 GIAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3nnc(-c4ccccc4)o3)c(C)c2)CC1 ZINC000057833275 823339291 /nfs/dbraw/zinc/33/92/91/823339291.db2.gz WAKZMIYAQWTKIA-SFHVURJKSA-N 1 0 391.519 4.360 50 0 GIAARO Cc1cc(C)nc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3C3CCOCC3)s2)c1 ZINC000019110796 818585333 /nfs/dbraw/zinc/58/53/33/818585333.db2.gz IMCJTLYHQHTLAF-KRWDZBQOSA-N 1 0 385.533 4.328 50 0 GIAARO COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000019531438 818593287 /nfs/dbraw/zinc/59/32/87/818593287.db2.gz LINIVIFYIFYCQL-CYBMUJFWSA-N 1 0 382.382 4.053 50 0 GIAARO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)CC2)c1 ZINC000019641406 818597064 /nfs/dbraw/zinc/59/70/64/818597064.db2.gz SLYNIZCAGQGYFM-QHCPKHFHSA-N 1 0 395.978 4.094 50 0 GIAARO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000019741902 818603992 /nfs/dbraw/zinc/60/39/92/818603992.db2.gz IPALFRPMCBMPSZ-CQSZACIVSA-N 1 0 397.425 4.463 50 0 GIAARO Cc1nc(N2CCC[C@@H]([NH2+]C3Cc4ccccc4C3)CC2)nc2ccc(F)cc12 ZINC000020256613 818617612 /nfs/dbraw/zinc/61/76/12/818617612.db2.gz ZUHXNLQKRSOVEA-HXUWFJFHSA-N 1 0 390.506 4.193 50 0 GIAARO O[C@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000020218810 818617665 /nfs/dbraw/zinc/61/76/65/818617665.db2.gz PAWQPFAQROYTGO-GOSISDBHSA-N 1 0 384.829 4.214 50 0 GIAARO CSc1ccc(-c2nc(C[NH+]3CCC(CN4CCCC4=O)CC3)c(C)o2)cc1 ZINC000020599234 818626591 /nfs/dbraw/zinc/62/65/91/818626591.db2.gz QWMHHRMOFZPCOV-UHFFFAOYSA-N 1 0 399.560 4.206 50 0 GIAARO CCc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000020855422 818634143 /nfs/dbraw/zinc/63/41/43/818634143.db2.gz NOSKHPGYBLTBGB-UHFFFAOYSA-N 1 0 388.515 4.462 50 0 GIAARO OCC[C@@H]1CN(Cc2ccccc2-c2ccco2)CC[N@@H+]1Cc1cccs1 ZINC000020920165 818640398 /nfs/dbraw/zinc/64/03/98/818640398.db2.gz WSIUPGFNYASBSR-LJQANCHMSA-N 1 0 382.529 4.077 50 0 GIAARO Cc1cccc(C)c1-n1ncc(C(=O)Nc2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000020941298 818641749 /nfs/dbraw/zinc/64/17/49/818641749.db2.gz YZELCULPXBASSF-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO CC(C)CCOc1ccc([C@](C)(O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021146406 818658750 /nfs/dbraw/zinc/65/87/50/818658750.db2.gz NKFRRNHHDDWFNN-DQEYMECFSA-N 1 0 397.559 4.435 50 0 GIAARO O=C(NCCOc1cccnc1)c1ccc([C@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC000023540854 818957287 /nfs/dbraw/zinc/95/72/87/818957287.db2.gz IODZRDGMVILULJ-GOSISDBHSA-N 1 0 385.533 4.031 50 0 GIAARO C[N@H+]1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(F)c2)/C(=C\c2cccc(F)c2)C1 ZINC000034239043 821061799 /nfs/dbraw/zinc/06/17/99/821061799.db2.gz ABJNAKNMXMXAFN-NSUHCSJYSA-N 1 0 391.421 4.056 50 0 GIAARO O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000046507670 822479252 /nfs/dbraw/zinc/47/92/52/822479252.db2.gz OHQGCRDBDZMGOH-QHCPKHFHSA-N 1 0 394.515 4.483 50 0 GIAARO CN(C)c1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000175179371 822898491 /nfs/dbraw/zinc/89/84/91/822898491.db2.gz FYOREXSFSCWLMX-UHFFFAOYSA-N 1 0 398.473 4.300 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC(c3ccsc3)CC2)CC1 ZINC000186509788 822906591 /nfs/dbraw/zinc/90/65/91/822906591.db2.gz JIFWRDXHHUXKHK-UHFFFAOYSA-N 1 0 398.576 4.302 50 0 GIAARO COc1ccc(Cl)c(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000191983847 823831429 /nfs/dbraw/zinc/83/14/29/823831429.db2.gz MLOMAMLJYJDZDY-UHFFFAOYSA-N 1 0 384.867 4.173 50 0 GIAARO CC(C)CC(=O)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000169780655 823916094 /nfs/dbraw/zinc/91/60/94/823916094.db2.gz VFPLZHIJFQURFQ-UHFFFAOYSA-N 1 0 378.516 4.012 50 0 GIAARO Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000575556513 823977855 /nfs/dbraw/zinc/97/78/55/823977855.db2.gz AGYOAOAQOXLOJG-QGZVFWFLSA-N 1 0 376.504 4.032 50 0 GIAARO CC[C@@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000241383381 529440358 /nfs/dbraw/zinc/44/03/58/529440358.db2.gz MUYMWPPXJMNYNH-OAHLLOKOSA-N 1 0 388.943 4.210 50 0 GIAARO CCCC[NH+](CCCC)CCCn1cnc2c3cc(OC)ccc3[nH]c2c1=O ZINC000002431564 203944027 /nfs/dbraw/zinc/94/40/27/203944027.db2.gz JNYHKOOHMFHKRH-UHFFFAOYSA-N 1 0 384.524 4.179 50 0 GIAARO COc1cccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3C)s2)c1 ZINC000004359677 204040174 /nfs/dbraw/zinc/04/01/74/204040174.db2.gz QYSAOFDXZOHXNN-UHFFFAOYSA-N 1 0 383.517 4.212 50 0 GIAARO COc1cc(Cl)c(C)cc1NC(=S)N(CC[NH+](C)C)Cc1cccs1 ZINC000003665687 204018500 /nfs/dbraw/zinc/01/85/00/204018500.db2.gz XCDNZWIFTLQTAM-UHFFFAOYSA-N 1 0 397.997 4.479 50 0 GIAARO COc1ccc(NC(=S)N(CCC[NH+]2CCCCC2)Cc2ccco2)cc1 ZINC000003665512 204018524 /nfs/dbraw/zinc/01/85/24/204018524.db2.gz DDDRYIIXERYOHJ-UHFFFAOYSA-N 1 0 387.549 4.363 50 0 GIAARO CCCC[NH2+][C@H](C)c1nc2cc(Cl)ccc2c(=O)n1-c1ccc(OC)cc1 ZINC000004732246 204068911 /nfs/dbraw/zinc/06/89/11/204068911.db2.gz RGKXPOWHEJHMRA-CQSZACIVSA-N 1 0 385.895 4.498 50 0 GIAARO Cc1nc2ccccc2c2oc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc21 ZINC000004902190 204088590 /nfs/dbraw/zinc/08/85/90/204088590.db2.gz QNYWPZZDXOOIGP-HZPDHXFCSA-N 1 0 379.504 4.387 50 0 GIAARO CC(C)([NH3+])C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000004543614 204050451 /nfs/dbraw/zinc/05/04/51/204050451.db2.gz SNCXIZNGOLTBRZ-UHFFFAOYSA-N 1 0 395.684 4.009 50 0 GIAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCC(=O)NC1CCCCC1 ZINC000004657468 204061097 /nfs/dbraw/zinc/06/10/97/204061097.db2.gz NPTZTWRAGLAWOZ-UHFFFAOYSA-N 1 0 396.531 4.203 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 ZINC000004677705 204062790 /nfs/dbraw/zinc/06/27/90/204062790.db2.gz ZRWFUYRCCPWUGW-UHFFFAOYSA-N 1 0 389.952 4.213 50 0 GIAARO CCC[NH+](CCC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O ZINC000004939108 204095412 /nfs/dbraw/zinc/09/54/12/204095412.db2.gz AOLOGDKWBXCZEM-UHFFFAOYSA-N 1 0 399.560 4.088 50 0 GIAARO CC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000005044138 204105684 /nfs/dbraw/zinc/10/56/84/204105684.db2.gz VEAGHIUTBUYDPV-YOEHRIQHSA-N 1 0 389.927 4.430 50 0 GIAARO Cc1cccc2c1-c1sc(C(=O)NCCC[NH+]3CCC(C)CC3)cc1CO2 ZINC000005048707 204107367 /nfs/dbraw/zinc/10/73/67/204107367.db2.gz FOWYYMLXYFXURW-UHFFFAOYSA-N 1 0 384.545 4.468 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C1CCCCCC1)CCCC2 ZINC000005048023 204107422 /nfs/dbraw/zinc/10/74/22/204107422.db2.gz LNOKDXKNDANNAT-UHFFFAOYSA-N 1 0 378.538 4.055 50 0 GIAARO COc1ccc(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2CCc2ccccc23)cc1 ZINC000005670647 204145946 /nfs/dbraw/zinc/14/59/46/204145946.db2.gz OGKNYNWVJJADMC-DEOSSOPVSA-N 1 0 389.450 4.189 50 0 GIAARO C[N@H+](Cc1ccccc1NCC(=O)N1CCc2ccccc21)C1CCCCC1 ZINC000005689729 204146796 /nfs/dbraw/zinc/14/67/96/204146796.db2.gz ARZCXIIUWAWNCV-UHFFFAOYSA-N 1 0 377.532 4.452 50 0 GIAARO CC(C)c1nn(-c2ccc(Cl)cc2)c(C(C)C)c1C(=O)NCC[NH+](C)C ZINC000006770823 204203854 /nfs/dbraw/zinc/20/38/54/204203854.db2.gz KZTFCYNCAXDMPG-UHFFFAOYSA-N 1 0 376.932 4.064 50 0 GIAARO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006790361 204206276 /nfs/dbraw/zinc/20/62/76/204206276.db2.gz PKVIUOPEBAKVQZ-GBXCKJPGSA-N 1 0 397.559 4.497 50 0 GIAARO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000006809542 204210115 /nfs/dbraw/zinc/21/01/15/204210115.db2.gz ALYDTJTXZZTPEP-FQEVSTJZSA-N 1 0 392.952 4.236 50 0 GIAARO Cc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)cc1F ZINC000006877412 204218557 /nfs/dbraw/zinc/21/85/57/204218557.db2.gz VIPGHGYVNIYZPB-SFHVURJKSA-N 1 0 381.495 4.436 50 0 GIAARO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000006509036 204181099 /nfs/dbraw/zinc/18/10/99/204181099.db2.gz YVPBQAZGRHXJOJ-ZDUSSCGKSA-N 1 0 395.396 4.399 50 0 GIAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C(C)=O)cc3)c(=[NH2+])oc2c1 ZINC000006517597 204182794 /nfs/dbraw/zinc/18/27/94/204182794.db2.gz PNVKITURACLARO-UHFFFAOYSA-N 1 0 377.444 4.213 50 0 GIAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000006883115 204219500 /nfs/dbraw/zinc/21/95/00/204219500.db2.gz KNCRTNPYMDCRTB-UHFFFAOYSA-N 1 0 384.303 4.442 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000007946032 204255223 /nfs/dbraw/zinc/25/52/23/204255223.db2.gz LRSUKUFCGNXYIC-UHFFFAOYSA-N 1 0 392.446 4.068 50 0 GIAARO CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000008705139 204284772 /nfs/dbraw/zinc/28/47/72/204284772.db2.gz GQFVIEJCCPCVCW-IBGZPJMESA-N 1 0 395.547 4.360 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3cc(C)sc3C)cc2)CC1 ZINC000008132143 204262819 /nfs/dbraw/zinc/26/28/19/204262819.db2.gz KQWHIPPVMBKFDG-UHFFFAOYSA-N 1 0 399.560 4.108 50 0 GIAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@@H]1CCCO1 ZINC000008133105 204263528 /nfs/dbraw/zinc/26/35/28/204263528.db2.gz MNESJBJPZLYOQI-FQEVSTJZSA-N 1 0 381.451 4.381 50 0 GIAARO CCOc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310325 204270807 /nfs/dbraw/zinc/27/08/07/204270807.db2.gz MUVJJRIAFBOPCE-IBGZPJMESA-N 1 0 396.487 4.022 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000036774011 204330616 /nfs/dbraw/zinc/33/06/16/204330616.db2.gz LCJVVSCDIUGYQA-UHFFFAOYSA-N 1 0 378.303 4.388 50 0 GIAARO CC(C)/C=C/C[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000011665057 204349023 /nfs/dbraw/zinc/34/90/23/204349023.db2.gz ZUBVVRAFKJJFJE-AATRIKPKSA-N 1 0 393.531 4.067 50 0 GIAARO CCN(Cc1ccccc1OC)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011700693 204351382 /nfs/dbraw/zinc/35/13/82/204351382.db2.gz GCUMGXTWNISIRR-QFIPXVFZSA-N 1 0 396.575 4.480 50 0 GIAARO CC1CC[NH+](CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000011714206 204351505 /nfs/dbraw/zinc/35/15/05/204351505.db2.gz JUBNDFHHKJRHDK-UHFFFAOYSA-N 1 0 388.515 4.149 50 0 GIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000011713512 204351754 /nfs/dbraw/zinc/35/17/54/204351754.db2.gz HXOJTANOTHYBOZ-UHFFFAOYSA-N 1 0 390.487 4.009 50 0 GIAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1OC ZINC000011759364 204352033 /nfs/dbraw/zinc/35/20/33/204352033.db2.gz HKARJZCBZDESBG-QFIPXVFZSA-N 1 0 389.923 4.174 50 0 GIAARO Cn1c(SCc2ccncc2)nnc1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000011786459 204352160 /nfs/dbraw/zinc/35/21/60/204352160.db2.gz OBGVUNYQYROSEV-KRWDZBQOSA-N 1 0 383.565 4.038 50 0 GIAARO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000011813515 204354481 /nfs/dbraw/zinc/35/44/81/204354481.db2.gz QECSCMHZTSPKLD-QGZVFWFLSA-N 1 0 381.426 4.245 50 0 GIAARO Oc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000011839826 204354914 /nfs/dbraw/zinc/35/49/14/204354914.db2.gz SBBGIYXCXXAUJK-FQEVSTJZSA-N 1 0 395.478 4.492 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000011842611 204356811 /nfs/dbraw/zinc/35/68/11/204356811.db2.gz WJEHOBVHOIIEKY-OAQYLSRUSA-N 1 0 375.516 4.224 50 0 GIAARO Cc1cccc(N2CC[NH+]([C@@H]3CCC(=O)N(CCCC(C)C)CC3)CC2)c1C ZINC000011841137 204358054 /nfs/dbraw/zinc/35/80/54/204358054.db2.gz ODSOVUIGFAZOSE-JOCHJYFZSA-N 1 0 385.596 4.243 50 0 GIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)Nc1ccccc1F ZINC000011878929 204359301 /nfs/dbraw/zinc/35/93/01/204359301.db2.gz FCFCGVADLOLTDQ-KRWDZBQOSA-N 1 0 398.478 4.228 50 0 GIAARO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+][C@@H]4CCOC(C)(C)C4)CC3)nc2c1 ZINC000012149939 204376946 /nfs/dbraw/zinc/37/69/46/204376946.db2.gz RRZOWIFMTAXWLQ-RBUKOAKNSA-N 1 0 382.552 4.153 50 0 GIAARO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000011093920 204342699 /nfs/dbraw/zinc/34/26/99/204342699.db2.gz LDZSSGMLTLMTFJ-YJYMSZOUSA-N 1 0 390.430 4.050 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cc(C)on2)CC1 ZINC000012441936 204409757 /nfs/dbraw/zinc/40/97/57/204409757.db2.gz CIMFZAKEPNHZLA-UHFFFAOYSA-N 1 0 399.535 4.002 50 0 GIAARO Cc1nc2cc(NC(=O)[C@@H]3CC34CC[NH+]([C@H]3CCSC3)CC4)ccc2s1 ZINC000012185370 204379012 /nfs/dbraw/zinc/37/90/12/204379012.db2.gz ZLTZSMWJCLHORV-HOTGVXAUSA-N 1 0 387.574 4.151 50 0 GIAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4sccc4C)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012195782 204380547 /nfs/dbraw/zinc/38/05/47/204380547.db2.gz PQIKTTGDTGARNZ-JLMWRMLUSA-N 1 0 382.529 4.003 50 0 GIAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+]CCCOc3cccnc3)ccc2c1 ZINC000012198624 204381124 /nfs/dbraw/zinc/38/11/24/204381124.db2.gz RMUZEPLHBVXNSS-UHFFFAOYSA-N 1 0 388.471 4.192 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)[C@H]2CCOC2)cc1F ZINC000012197003 204381458 /nfs/dbraw/zinc/38/14/58/204381458.db2.gz NYGHQFPCHIBHHY-IBGZPJMESA-N 1 0 395.478 4.216 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+]([C@H]2CCc3ccccc3C2)CC1)C1CCCC1 ZINC000012201965 204382797 /nfs/dbraw/zinc/38/27/97/204382797.db2.gz JXKDEAJPLGPHRM-QFIPXVFZSA-N 1 0 392.547 4.206 50 0 GIAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](C/C=C/c3ccco3)C2)cc1 ZINC000012210077 204384480 /nfs/dbraw/zinc/38/44/80/204384480.db2.gz UWAQTGCOELVGMP-NAASZUNDSA-N 1 0 390.487 4.138 50 0 GIAARO Cc1nc([C@H](C)[NH2+]C2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)cs1 ZINC000012243896 204386159 /nfs/dbraw/zinc/38/61/59/204386159.db2.gz JFVOOZFGHMXRIF-AWEZNQCLSA-N 1 0 384.549 4.120 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(F)c1 ZINC000012317400 204394663 /nfs/dbraw/zinc/39/46/63/204394663.db2.gz DWBPXMFGWBUCNA-HSZRJFAPSA-N 1 0 395.478 4.170 50 0 GIAARO O=C(CSc1ccccn1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012314656 204395558 /nfs/dbraw/zinc/39/55/58/204395558.db2.gz YCAGCIMBRRLMIK-QFIPXVFZSA-N 1 0 387.593 4.069 50 0 GIAARO O=C(CSc1ccccn1)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012314655 204395782 /nfs/dbraw/zinc/39/57/82/204395782.db2.gz YCAGCIMBRRLMIK-JOCHJYFZSA-N 1 0 387.593 4.069 50 0 GIAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccccc4Cl)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012313965 204396483 /nfs/dbraw/zinc/39/64/83/204396483.db2.gz XDBURIAPZRAKRX-HYVJGQCMSA-N 1 0 396.918 4.287 50 0 GIAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012319354 204397753 /nfs/dbraw/zinc/39/77/53/204397753.db2.gz XOCCEEVPGIINMZ-UHFFFAOYSA-N 1 0 388.471 4.120 50 0 GIAARO Cc1ccc(-n2cc(C[NH2+]CCc3cnn(C)c3)c(-c3cccc(C)c3)n2)cc1 ZINC000015080786 204562190 /nfs/dbraw/zinc/56/21/90/204562190.db2.gz VYKITVJCMVTJNV-UHFFFAOYSA-N 1 0 385.515 4.222 50 0 GIAARO CCCCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000019909512 204691634 /nfs/dbraw/zinc/69/16/34/204691634.db2.gz HVDYYKDOGSKUJG-UHFFFAOYSA-N 1 0 396.597 4.152 50 0 GIAARO Clc1ccc(CN2CCC[C@H]([NH2+]Cc3cccn3-c3cccnc3)C2)cc1 ZINC000020906099 204745537 /nfs/dbraw/zinc/74/55/37/204745537.db2.gz MQWDMFLFDWIXTI-FQEVSTJZSA-N 1 0 380.923 4.280 50 0 GIAARO O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000021018059 204750808 /nfs/dbraw/zinc/75/08/08/204750808.db2.gz SFGOZDOAMNMCMG-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO C[C@H]1CCC[N@H+](CCCNc2ncnc3onc(-c4cccc(Cl)c4)c32)C1 ZINC000021714515 204762750 /nfs/dbraw/zinc/76/27/50/204762750.db2.gz RSHLULLSVAOZIS-AWEZNQCLSA-N 1 0 385.899 4.472 50 0 GIAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4cccc(C)c4)nn3cnc21 ZINC000021801844 204765152 /nfs/dbraw/zinc/76/51/52/204765152.db2.gz SVFGMJDDWOAVPA-UHFFFAOYSA-N 1 0 376.508 4.013 50 0 GIAARO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 ZINC000025049310 204830071 /nfs/dbraw/zinc/83/00/71/204830071.db2.gz QYOIICGXWCXMJN-HXUWFJFHSA-N 1 0 382.410 4.266 50 0 GIAARO CC(C)(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000028293160 204872836 /nfs/dbraw/zinc/87/28/36/204872836.db2.gz ZQMIYFRSPAAWKD-JOCHJYFZSA-N 1 0 380.532 4.316 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000036031206 205002199 /nfs/dbraw/zinc/00/21/99/205002199.db2.gz DIQRIDONUYUMSU-JOCHJYFZSA-N 1 0 377.484 4.137 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)(C)C)c1 ZINC000036098546 205005848 /nfs/dbraw/zinc/00/58/48/205005848.db2.gz YDKMMLOUAZPKPE-HXUWFJFHSA-N 1 0 375.484 4.013 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1 ZINC000036102151 205006324 /nfs/dbraw/zinc/00/63/24/205006324.db2.gz IXLUWGVOSKWYMK-QFIPXVFZSA-N 1 0 377.484 4.137 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)(C)C)c1 ZINC000036098548 205006451 /nfs/dbraw/zinc/00/64/51/205006451.db2.gz YDKMMLOUAZPKPE-FQEVSTJZSA-N 1 0 375.484 4.013 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036102930 205006473 /nfs/dbraw/zinc/00/64/73/205006473.db2.gz MXVWKJCBAAGITD-OAQYLSRUSA-N 1 0 399.462 4.007 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cc(C)ccc2C)C[C@@H]1c1ccccc1OC ZINC000036345356 205012330 /nfs/dbraw/zinc/01/23/30/205012330.db2.gz GHINQDVCUOPYIT-JOCHJYFZSA-N 1 0 393.531 4.332 50 0 GIAARO COc1cccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)C(C)C)c1 ZINC000036345676 205012554 /nfs/dbraw/zinc/01/25/54/205012554.db2.gz BUORRSSTIMYSLA-HSZRJFAPSA-N 1 0 393.531 4.330 50 0 GIAARO COc1cc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c(Cl)cc1O ZINC000039379541 205040053 /nfs/dbraw/zinc/04/00/53/205040053.db2.gz ZTBZMJCFDUAIRI-OAQYLSRUSA-N 1 0 378.944 4.142 50 0 GIAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000038851375 205040882 /nfs/dbraw/zinc/04/08/82/205040882.db2.gz BTAWIOGSLRKNNY-UHFFFAOYSA-N 1 0 395.522 4.164 50 0 GIAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(F)cc1Br ZINC000036393047 205016786 /nfs/dbraw/zinc/01/67/86/205016786.db2.gz HHSJNAKQIJUPHT-UHFFFAOYSA-N 1 0 393.300 4.358 50 0 GIAARO O=C(CSCc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000037118901 205021994 /nfs/dbraw/zinc/02/19/94/205021994.db2.gz JRCUDEVSZSNABH-UHFFFAOYSA-N 1 0 388.964 4.485 50 0 GIAARO COC(=O)c1ccc(C[NH+]2CCC(COCc3ccc(Cl)cc3)CC2)o1 ZINC000077191626 205034070 /nfs/dbraw/zinc/03/40/70/205034070.db2.gz ZADMSCARLBZEFP-UHFFFAOYSA-N 1 0 377.868 4.148 50 0 GIAARO CC[NH+](CC)Cc1cccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000040139414 205056586 /nfs/dbraw/zinc/05/65/86/205056586.db2.gz HCIUULYFHDFCGP-UHFFFAOYSA-N 1 0 394.494 4.092 50 0 GIAARO C[NH+](C)C1(CNC(=O)Nc2cccc(OCc3cccc(F)c3)c2)CCCC1 ZINC000040152326 205059740 /nfs/dbraw/zinc/05/97/40/205059740.db2.gz GJZOAILIOYMLCH-UHFFFAOYSA-N 1 0 385.483 4.401 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040742769 205070561 /nfs/dbraw/zinc/07/05/61/205070561.db2.gz QYYDDGRRURXSQL-MRXNPFEDSA-N 1 0 384.303 4.442 50 0 GIAARO CCOc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(F)cc1Cl ZINC000040720234 205068461 /nfs/dbraw/zinc/06/84/61/205068461.db2.gz XSUWPPBMXMWWCZ-UHFFFAOYSA-N 1 0 394.918 4.498 50 0 GIAARO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c2ccccc2O1 ZINC000044918428 205090435 /nfs/dbraw/zinc/09/04/35/205090435.db2.gz RSCGFTMCIHSYLK-NRFANRHFSA-N 1 0 396.506 4.456 50 0 GIAARO O=C(CCCc1c[nH]c2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045293334 205094679 /nfs/dbraw/zinc/09/46/79/205094679.db2.gz UBZZJUQPMKLBBS-UHFFFAOYSA-N 1 0 375.516 4.271 50 0 GIAARO COc1cccc(C[NH2+]CCCCO)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040744228 205071832 /nfs/dbraw/zinc/07/18/32/205071832.db2.gz APPVVWHHHKUCAP-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO CC(C)c1noc(CCCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000046934923 205107393 /nfs/dbraw/zinc/10/73/93/205107393.db2.gz OKJYYGWJQIPLPX-GOSISDBHSA-N 1 0 398.551 4.207 50 0 GIAARO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000048255444 205116123 /nfs/dbraw/zinc/11/61/23/205116123.db2.gz OLZIOKKVSZXRSY-SFHVURJKSA-N 1 0 388.537 4.075 50 0 GIAARO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000048255445 205116992 /nfs/dbraw/zinc/11/69/92/205116992.db2.gz OLZIOKKVSZXRSY-GOSISDBHSA-N 1 0 388.537 4.075 50 0 GIAARO Cc1c2cccc(Cl)c2oc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000048355450 205121962 /nfs/dbraw/zinc/12/19/62/205121962.db2.gz IWUHVMDLPSAYRF-UHFFFAOYSA-N 1 0 383.879 4.184 50 0 GIAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000049580901 205128621 /nfs/dbraw/zinc/12/86/21/205128621.db2.gz RQPSEQRYQMTJOA-GOSISDBHSA-N 1 0 378.472 4.168 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000053968554 205138964 /nfs/dbraw/zinc/13/89/64/205138964.db2.gz DYUIMROJOJEIHV-UHFFFAOYSA-N 1 0 376.953 4.423 50 0 GIAARO O=C(CCC1CC[NH+](C/C(Cl)=C/c2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000055054641 205140699 /nfs/dbraw/zinc/14/06/99/205140699.db2.gz ISWLLVRUYIIHMH-WOHXKIKESA-N 1 0 390.955 4.054 50 0 GIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccc4nsnc4c3)c2C)cc1 ZINC000055060542 205142329 /nfs/dbraw/zinc/14/23/29/205142329.db2.gz WVPYPHRQOWBVDR-CYBMUJFWSA-N 1 0 379.489 4.045 50 0 GIAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CSCCSC3)C2)c1 ZINC000055120046 205143835 /nfs/dbraw/zinc/14/38/35/205143835.db2.gz OEZZBJFYPXYSNW-KRWDZBQOSA-N 1 0 379.591 4.217 50 0 GIAARO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+]Cc4cccnc4)cc3)sc2c1 ZINC000055301068 205147879 /nfs/dbraw/zinc/14/78/79/205147879.db2.gz CGAIZCUQIFEZPN-UHFFFAOYSA-N 1 0 388.496 4.395 50 0 GIAARO CCc1oc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)cc1C[NH+](CC)CC ZINC000055414683 205148383 /nfs/dbraw/zinc/14/83/83/205148383.db2.gz RONFFABFRVXEIZ-UHFFFAOYSA-N 1 0 388.556 4.085 50 0 GIAARO c1ccc2cc(-c3ncc(C[NH2+]CCc4[nH]nc5c4CCCC5)cn3)ccc2c1 ZINC000055414117 205148873 /nfs/dbraw/zinc/14/88/73/205148873.db2.gz PMOQVQDXXSGHLN-UHFFFAOYSA-N 1 0 383.499 4.231 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000056851966 205152548 /nfs/dbraw/zinc/15/25/48/205152548.db2.gz DFFYOTRLKJDGDE-HOTGVXAUSA-N 1 0 375.472 4.476 50 0 GIAARO CC[C@@H](Cn1cnc(-c2ccccc2)c1-c1cccc(O)c1)[NH+]1CCOCC1 ZINC000063856711 205187538 /nfs/dbraw/zinc/18/75/38/205187538.db2.gz DZQOIZIYRCRURB-FQEVSTJZSA-N 1 0 377.488 4.034 50 0 GIAARO CC[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000058085743 205164989 /nfs/dbraw/zinc/16/49/89/205164989.db2.gz NBQFRYATSFQHRW-QHCPKHFHSA-N 1 0 394.540 4.228 50 0 GIAARO C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058391496 205173693 /nfs/dbraw/zinc/17/36/93/205173693.db2.gz ZZDBXWVKFAXYHV-OAHLLOKOSA-N 1 0 390.886 4.027 50 0 GIAARO C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(OC(F)F)c1 ZINC000058379195 205173749 /nfs/dbraw/zinc/17/37/49/205173749.db2.gz NSTBVYACOZRMBC-HNNXBMFYSA-N 1 0 395.494 4.303 50 0 GIAARO CC(=O)Nc1cc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)ccc1F ZINC000060206424 205180449 /nfs/dbraw/zinc/18/04/49/205180449.db2.gz MNAHEKJHRKJPBU-UHFFFAOYSA-N 1 0 397.494 4.090 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967967 205203305 /nfs/dbraw/zinc/20/33/05/205203305.db2.gz KVSQWWGXAWCFCE-KRWDZBQOSA-N 1 0 377.488 4.023 50 0 GIAARO COc1ccc(N(C)C(=O)c2cccc3[nH]cc(C[NH+]4CCSCC4)c32)cc1 ZINC000065135850 205211998 /nfs/dbraw/zinc/21/19/98/205211998.db2.gz XONBUGSCCJJVSC-UHFFFAOYSA-N 1 0 395.528 4.002 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000064657589 205191889 /nfs/dbraw/zinc/19/18/89/205191889.db2.gz SCTMHSQBXAOUSL-MRXNPFEDSA-N 1 0 399.535 4.500 50 0 GIAARO c1cc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)cs1 ZINC000065255067 205222856 /nfs/dbraw/zinc/22/28/56/205222856.db2.gz WTHXLRCDNIEMRD-UHFFFAOYSA-N 1 0 379.489 4.301 50 0 GIAARO O=C(CCc1ccc(Cl)s1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000065515215 205236201 /nfs/dbraw/zinc/23/62/01/205236201.db2.gz UKSLSSYBMSMSBB-UHFFFAOYSA-N 1 0 380.916 4.254 50 0 GIAARO Cc1ccc(-c2cc([C@@H]3CC[N@H+](Cc4cncnc4)C3)ccn2)c2cccnc12 ZINC000065530591 205237337 /nfs/dbraw/zinc/23/73/37/205237337.db2.gz PYFMAMAHMOIXIC-HXUWFJFHSA-N 1 0 381.483 4.385 50 0 GIAARO CC[N@@H+]1CCC[C@](C(=O)NCc2ccc(SC)cc2)(c2ccccc2)CC1 ZINC000065226079 205219138 /nfs/dbraw/zinc/21/91/38/205219138.db2.gz XHNIOIJNONWTCF-HSZRJFAPSA-N 1 0 382.573 4.469 50 0 GIAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2 ZINC000065239010 205221010 /nfs/dbraw/zinc/22/10/10/205221010.db2.gz CLMMVRRSGIRGGP-KRWDZBQOSA-N 1 0 375.582 4.001 50 0 GIAARO Cc1[nH]cnc1-c1c(-c2ccccc2)ncn1C1CC[NH+](C2CCOCC2)CC1 ZINC000067562294 205249540 /nfs/dbraw/zinc/24/95/40/205249540.db2.gz JCUACJYGWOYSFT-UHFFFAOYSA-N 1 0 391.519 4.065 50 0 GIAARO Oc1cccc(C2CC[NH+](Cc3cnc4c(-c5ccccc5)cnn4c3)CC2)c1 ZINC000067783662 205260965 /nfs/dbraw/zinc/26/09/65/205260965.db2.gz VFLFYEOFZVYFAJ-UHFFFAOYSA-N 1 0 384.483 4.482 50 0 GIAARO Cc1cc(-c2c(-c3ccccc3)ncn2C[C@@H](c2ccc(C)o2)[NH+](C)C)n[nH]1 ZINC000067840427 205262303 /nfs/dbraw/zinc/26/23/03/205262303.db2.gz APLGSAQRHMRYDM-IBGZPJMESA-N 1 0 375.476 4.453 50 0 GIAARO CC(C)NC(=O)CC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067885740 205266751 /nfs/dbraw/zinc/26/67/51/205266751.db2.gz XJOXWJZJBZCVHS-UHFFFAOYSA-N 1 0 388.515 4.017 50 0 GIAARO CC(C)C[C@H]([NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067935330 205267465 /nfs/dbraw/zinc/26/74/65/205267465.db2.gz CDTLQGZRBMYHFD-NRFANRHFSA-N 1 0 388.515 4.002 50 0 GIAARO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](CC[C@@H]1CCOC1)C2 ZINC000067967444 205270359 /nfs/dbraw/zinc/27/03/59/205270359.db2.gz YPJMFIBFZDJRKQ-OAHLLOKOSA-N 1 0 396.512 4.290 50 0 GIAARO O=C(C1CC1)N1CCC([N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)CC1 ZINC000071747402 205289366 /nfs/dbraw/zinc/28/93/66/205289366.db2.gz LDILABSNMMWUEG-MRXNPFEDSA-N 1 0 376.491 4.010 50 0 GIAARO COCc1ncc(C[N@@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071759202 205293735 /nfs/dbraw/zinc/29/37/35/205293735.db2.gz HBGVYJZKBLXLQJ-KRWDZBQOSA-N 1 0 393.453 4.487 50 0 GIAARO CC[C@H]1CN(Cc2nc(-c3cc(OC)ccc3F)oc2C)CC[N@@H+]1C(C)C ZINC000071764845 205294817 /nfs/dbraw/zinc/29/48/17/205294817.db2.gz UQYGJDDESDRUCW-INIZCTEOSA-N 1 0 375.488 4.102 50 0 GIAARO COc1c(C)cc(-c2ccc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)cn2)cc1C ZINC000071774839 205297544 /nfs/dbraw/zinc/29/75/44/205297544.db2.gz YVABLPQJBHIYQG-IBGZPJMESA-N 1 0 395.547 4.082 50 0 GIAARO O=C(Nc1cccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1)c1cccs1 ZINC000069519329 205276103 /nfs/dbraw/zinc/27/61/03/205276103.db2.gz WEGPHWXZXMDYAU-SFHVURJKSA-N 1 0 398.532 4.093 50 0 GIAARO COc1ccc(-c2nnc(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)o2)cc1 ZINC000072308766 205323480 /nfs/dbraw/zinc/32/34/80/205323480.db2.gz AQIZBZKHEKKKKF-NRFANRHFSA-N 1 0 393.487 4.007 50 0 GIAARO CCc1ccc(-c2n[nH]cc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000072329196 205326359 /nfs/dbraw/zinc/32/63/59/205326359.db2.gz HRUQVPJYWKQHIO-UHFFFAOYSA-N 1 0 388.515 4.034 50 0 GIAARO O=C(c1cccc2ccccc21)N1CCC2(CC1)CC[NH+](C1CCOCC1)CC2 ZINC000072158454 205312218 /nfs/dbraw/zinc/31/22/18/205312218.db2.gz RPLUAXVFSVASJW-UHFFFAOYSA-N 1 0 392.543 4.337 50 0 GIAARO Cc1ccc(-n2cc(C[N@@H+](C)CC3(CO)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000072436247 205350492 /nfs/dbraw/zinc/35/04/92/205350492.db2.gz OMDFCODLIUYHNJ-UHFFFAOYSA-N 1 0 375.516 4.360 50 0 GIAARO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+]2CCCOCC2)cc1OC ZINC000072473137 205354252 /nfs/dbraw/zinc/35/42/52/205354252.db2.gz GGNVOLNMBOORRL-UHFFFAOYSA-N 1 0 392.499 4.450 50 0 GIAARO CCN(C(=O)Nc1ccc2c(c1)OCCO2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000079021031 205379498 /nfs/dbraw/zinc/37/94/98/205379498.db2.gz YIFOZCADIQZFJR-PXNSSMCTSA-N 1 0 395.503 4.147 50 0 GIAARO Cc1nc2sccn2c1C[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000079094745 205380510 /nfs/dbraw/zinc/38/05/10/205380510.db2.gz HRDMADTZWDWYIY-UHFFFAOYSA-N 1 0 387.896 4.082 50 0 GIAARO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000084335366 205394586 /nfs/dbraw/zinc/39/45/86/205394586.db2.gz PRIXXNOUECMGSZ-OAHLLOKOSA-N 1 0 394.359 4.425 50 0 GIAARO COC(=O)c1ccc(C[NH+]2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000049377672 205671159 /nfs/dbraw/zinc/67/11/59/205671159.db2.gz AJLHLRSTMWWOEB-UHFFFAOYSA-N 1 0 395.434 4.042 50 0 GIAARO COc1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)cc1 ZINC000005115304 205761258 /nfs/dbraw/zinc/76/12/58/205761258.db2.gz JCQNTQJHUFDAKG-UHFFFAOYSA-N 1 0 389.908 4.167 50 0 GIAARO CCOc1c(Br)cc(C[NH2+]CCc2ccccc2OC)cc1OC ZINC000013718996 205891110 /nfs/dbraw/zinc/89/11/10/205891110.db2.gz OGTOJBMSFVFYLU-UHFFFAOYSA-N 1 0 394.309 4.197 50 0 GIAARO Cc1csc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3COCc3ccccc3)CC2)c1 ZINC000225630571 206062425 /nfs/dbraw/zinc/06/24/25/206062425.db2.gz HGKBCQGZQIRVIY-OAQYLSRUSA-N 1 0 398.572 4.342 50 0 GIAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](Cc2sccc2C)C(C)C)c1 ZINC000060040579 206101649 /nfs/dbraw/zinc/10/16/49/206101649.db2.gz OKOGSPZIITXVRB-INIZCTEOSA-N 1 0 390.549 4.162 50 0 GIAARO Cc1nc2cc(Cl)ccc2cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000032732115 206091524 /nfs/dbraw/zinc/09/15/24/206091524.db2.gz HWZOEQIHSSGNDG-HXUWFJFHSA-N 1 0 385.870 4.368 50 0 GIAARO Cc1nc2cc(Cl)ccc2cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000032732112 206091611 /nfs/dbraw/zinc/09/16/11/206091611.db2.gz HWZOEQIHSSGNDG-FQEVSTJZSA-N 1 0 385.870 4.368 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cn(C)c3ccccc23)[NH+]2CCCCC2)cc1 ZINC000032747939 206095377 /nfs/dbraw/zinc/09/53/77/206095377.db2.gz KYYGOCWUHSPWQM-QHCPKHFHSA-N 1 0 391.515 4.144 50 0 GIAARO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)C1=O ZINC000229966249 206109417 /nfs/dbraw/zinc/10/94/17/206109417.db2.gz YQKVBGLHINWPPG-SNYIIPAISA-N 1 0 391.515 4.219 50 0 GIAARO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)c1ccccc1 ZINC000230063330 206110818 /nfs/dbraw/zinc/11/08/18/206110818.db2.gz WBGCLWQQDKRSMJ-IRLDBZIGSA-N 1 0 392.499 4.360 50 0 GIAARO Cc1cccc(Cn2cc(C[NH2+]CCCN3CCCC3=O)c3ccccc32)c1 ZINC000247877440 206133588 /nfs/dbraw/zinc/13/35/88/206133588.db2.gz AWTAEFKSZFZBGE-UHFFFAOYSA-N 1 0 375.516 4.100 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cc3)C2)nc2ccccc21 ZINC000247991751 206134731 /nfs/dbraw/zinc/13/47/31/206134731.db2.gz NIZSGBMAUZWXHF-GOSISDBHSA-N 1 0 376.504 4.215 50 0 GIAARO CCCCOCCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248151388 206137153 /nfs/dbraw/zinc/13/71/53/206137153.db2.gz HGOWIBHOTKSCNK-UHFFFAOYSA-N 1 0 396.510 4.429 50 0 GIAARO CC(C)Cc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)n(C)n1 ZINC000299780632 206189578 /nfs/dbraw/zinc/18/95/78/206189578.db2.gz BXHCWTKPXTZCOE-ZCNNSNEGSA-N 1 0 391.519 4.362 50 0 GIAARO CC[C@H](NC(=O)c1cccc(-c2ccc(C[NH+](C)C)cn2)c1)c1nccs1 ZINC000299791521 206191977 /nfs/dbraw/zinc/19/19/77/206191977.db2.gz GJFSGUUQFAWSLC-SFHVURJKSA-N 1 0 380.517 4.148 50 0 GIAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccncc2)cs1 ZINC000004916256 206214649 /nfs/dbraw/zinc/21/46/49/206214649.db2.gz FUIKLHKXWWGMNL-LRDDRELGSA-N 1 0 382.411 4.212 50 0 GIAARO CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](CC)CC2)cc1 ZINC000010213835 221098477 /nfs/dbraw/zinc/09/84/77/221098477.db2.gz USDMCMGBVUVQNF-QFIPXVFZSA-N 1 0 391.515 4.441 50 0 GIAARO COc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1O ZINC000012093422 221150546 /nfs/dbraw/zinc/15/05/46/221150546.db2.gz BCOQJVFTNLTTLN-NRFANRHFSA-N 1 0 382.548 4.096 50 0 GIAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(c5ccccc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000059410501 136155676 /nfs/dbraw/zinc/15/56/76/136155676.db2.gz LTZXTCGSLVIUMX-SWXWDQRWSA-N 1 0 394.559 4.267 50 0 GIAARO O=C(Nc1cccc2c3c(oc21)CCCC3)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095509998 136180525 /nfs/dbraw/zinc/18/05/25/136180525.db2.gz SKYUSWSSJKWQOF-UHFFFAOYSA-N 1 0 376.460 4.061 50 0 GIAARO Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC000011859534 136199822 /nfs/dbraw/zinc/19/98/22/136199822.db2.gz IUQOPNYJFBEMHV-UHFFFAOYSA-N 1 0 377.410 4.018 50 0 GIAARO Cn1cc(C[N@H+](C)CCC(C)(C)O)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072478734 222266458 /nfs/dbraw/zinc/26/64/58/222266458.db2.gz DNMFDRHXKHAAEM-UHFFFAOYSA-N 1 0 379.504 4.472 50 0 GIAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3CCO)c(-c3ccc(F)cc3)n2)cc1 ZINC000072478738 222266980 /nfs/dbraw/zinc/26/69/80/222266980.db2.gz QOGBUTCXFGECJM-NRFANRHFSA-N 1 0 379.479 4.334 50 0 GIAARO CCOCC1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000089986725 521673194 /nfs/dbraw/zinc/67/31/94/521673194.db2.gz ZQSCBKIAYJXLGK-UHFFFAOYSA-N 1 0 390.325 4.155 50 0 GIAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCC2CCCC2)CC1 ZINC000058162603 535747000 /nfs/dbraw/zinc/74/70/00/535747000.db2.gz QNTHBOZJZDWZEN-KRWDZBQOSA-N 1 0 375.532 4.115 50 0 GIAARO Cc1nc2c(s1)[C@@H]([N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000111311921 570215617 /nfs/dbraw/zinc/21/56/17/570215617.db2.gz JDCRDEPJIGWQBI-KRWDZBQOSA-N 1 0 379.570 4.408 50 0 GIAARO CCOC(=O)Nc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047947593 570217049 /nfs/dbraw/zinc/21/70/49/570217049.db2.gz CDSOKAHCRMVGBP-UHFFFAOYSA-N 1 0 396.491 4.041 50 0 GIAARO CC[C@@H](C)Oc1ccccc1NC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000097547588 570246224 /nfs/dbraw/zinc/24/62/24/570246224.db2.gz VUPNAKRCBKNHTQ-GOSISDBHSA-N 1 0 382.508 4.312 50 0 GIAARO CCC(=O)Nc1ccc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000179265976 570253713 /nfs/dbraw/zinc/25/37/13/570253713.db2.gz BIVAEZKOLRFSBC-UHFFFAOYSA-N 1 0 386.540 4.200 50 0 GIAARO O=C1C[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 ZINC000020406569 570254298 /nfs/dbraw/zinc/25/42/98/570254298.db2.gz CYMZJEOOLQKUED-INIZCTEOSA-N 1 0 397.689 4.111 50 0 GIAARO COc1ccc(-c2[nH+]c(C)n3ccc4cc(OC)c(OC)cc4c23)cc1OC ZINC000001428864 570262869 /nfs/dbraw/zinc/26/28/69/570262869.db2.gz LKIAEJFETPMMFP-UHFFFAOYSA-N 1 0 378.428 4.497 50 0 GIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(OC)c1Cl)NCC2 ZINC000020506993 570264690 /nfs/dbraw/zinc/26/46/90/570264690.db2.gz PJEZGMVCSXTLHC-HXUWFJFHSA-N 1 0 391.895 4.390 50 0 GIAARO O[C@@H](COc1cccc2ccccc21)C[n+]1ccn(Cc2ccccc2Cl)c1 ZINC000012848719 570265594 /nfs/dbraw/zinc/26/55/94/570265594.db2.gz SUKQYNSHGLDJHZ-HXUWFJFHSA-N 1 0 393.894 4.070 50 0 GIAARO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000012866536 570269328 /nfs/dbraw/zinc/26/93/28/570269328.db2.gz ZVCLQBJDMKBYKC-KRWDZBQOSA-N 1 0 393.531 4.180 50 0 GIAARO C[N@H+](CC[C@H]1CCCCO1)Cc1cccc(-c2nc(C(F)(F)F)cc(=O)[nH]2)c1 ZINC000020774468 570279827 /nfs/dbraw/zinc/27/98/27/570279827.db2.gz GZJNKRHIPQQPLI-MRXNPFEDSA-N 1 0 395.425 4.259 50 0 GIAARO O[C@](c1ccccc1)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020792789 570280761 /nfs/dbraw/zinc/28/07/61/570280761.db2.gz NAOLDPFPKNQJJY-JWQCQUIFSA-N 1 0 391.486 4.178 50 0 GIAARO Cc1cccc(C(=O)N2CCC[N@@H+]([C@@H](C)Cc3nc4ccccc4s3)CC2)c1 ZINC000175408197 570281975 /nfs/dbraw/zinc/28/19/75/570281975.db2.gz VBKDCXDYJJBPTB-SFHVURJKSA-N 1 0 393.556 4.384 50 0 GIAARO Cc1ccc(COc2ccc(Br)cc2CNCCC[NH+](C)C)cc1 ZINC000020874605 570283105 /nfs/dbraw/zinc/28/31/05/570283105.db2.gz GROLRTDKJKTHAH-UHFFFAOYSA-N 1 0 391.353 4.378 50 0 GIAARO C[C@@H](O)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876447 570283444 /nfs/dbraw/zinc/28/34/44/570283444.db2.gz QJZOTYCBXFUJOQ-GFCCVEGCSA-N 1 0 384.701 4.152 50 0 GIAARO CC1CC[NH+](Cc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3n2C)CC1 ZINC000020893180 570283662 /nfs/dbraw/zinc/28/36/62/570283662.db2.gz YDSCMMGIIQVQJQ-UHFFFAOYSA-N 1 0 380.467 4.197 50 0 GIAARO Fc1ccc(F)c(-c2cncc(CN3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000034669419 570293417 /nfs/dbraw/zinc/29/34/17/570293417.db2.gz BJHVTBBHMGAVCC-UHFFFAOYSA-N 1 0 379.454 4.345 50 0 GIAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000034697766 570298704 /nfs/dbraw/zinc/29/87/04/570298704.db2.gz MLMYICXUXVTLLJ-GMAHTHKFSA-N 1 0 380.507 4.476 50 0 GIAARO Cc1cccc(C[N@@H+]2CCCN(c3ccc(NC(=O)C(C)(C)C)cn3)CC2)c1 ZINC000034681854 570300121 /nfs/dbraw/zinc/30/01/21/570300121.db2.gz CIKOWLJOJWVYPA-UHFFFAOYSA-N 1 0 380.536 4.087 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000022074774 570304982 /nfs/dbraw/zinc/30/49/82/570304982.db2.gz AZCMGAFENCOUPW-JOCHJYFZSA-N 1 0 377.484 4.406 50 0 GIAARO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022076891 570305310 /nfs/dbraw/zinc/30/53/10/570305310.db2.gz CTFXBBBNKHXGGU-JOCHJYFZSA-N 1 0 377.484 4.488 50 0 GIAARO COc1cc(Cl)cc(C[NH2+]CCOc2ccccn2)c1OCc1ccccc1 ZINC000113395463 570330956 /nfs/dbraw/zinc/33/09/56/570330956.db2.gz HVFOYMRIUSSHBH-UHFFFAOYSA-N 1 0 398.890 4.491 50 0 GIAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CN1Cc1ccccc1Cl ZINC000023158879 570347159 /nfs/dbraw/zinc/34/71/59/570347159.db2.gz GEOZZNGUFOMYHD-FPOVZHCZSA-N 1 0 391.987 4.120 50 0 GIAARO Cc1nc(-c2ccc(N3CCC([NH2+]Cc4c(C)n[nH]c4C)CC3)cc2)cs1 ZINC000023214897 570350372 /nfs/dbraw/zinc/35/03/72/570350372.db2.gz ZXXITFUYFHFUPD-UHFFFAOYSA-N 1 0 381.549 4.217 50 0 GIAARO COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000022766956 570376473 /nfs/dbraw/zinc/37/64/73/570376473.db2.gz WTUMZCIYHAPMHF-INIZCTEOSA-N 1 0 379.913 4.369 50 0 GIAARO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cc1F ZINC000024102442 570378883 /nfs/dbraw/zinc/37/88/83/570378883.db2.gz UIQJNNWYSSZNKL-RISCZKNCSA-N 1 0 388.266 4.232 50 0 GIAARO CC[C@H](OC(C)=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000032130018 570390443 /nfs/dbraw/zinc/39/04/43/570390443.db2.gz SHCDGLFYVHNNJX-QHCPKHFHSA-N 1 0 381.516 4.037 50 0 GIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000024754394 570391561 /nfs/dbraw/zinc/39/15/61/570391561.db2.gz MYLXYCHYHPHFOS-UHFFFAOYSA-N 1 0 385.515 4.083 50 0 GIAARO CC[C@H](CNC(=O)c1ccc(SCc2csc(C)n2)cc1)[NH+]1CCCC1 ZINC000024797422 570393506 /nfs/dbraw/zinc/39/35/06/570393506.db2.gz OQZNGASRXLQLMA-GOSISDBHSA-N 1 0 389.590 4.348 50 0 GIAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000025196739 570408238 /nfs/dbraw/zinc/40/82/38/570408238.db2.gz DKURIAAAEGMTMA-JOCHJYFZSA-N 1 0 396.575 4.297 50 0 GIAARO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)C3CCCC3)cc2)cc1 ZINC000013004648 570414822 /nfs/dbraw/zinc/41/48/22/570414822.db2.gz QGTSWHCMUMFODL-UHFFFAOYSA-N 1 0 395.503 4.151 50 0 GIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@H](c1ccccc1)n1cccc1 ZINC000524729157 570420337 /nfs/dbraw/zinc/42/03/37/570420337.db2.gz GRDUXECVEAXMPW-YTFSRNRJSA-N 1 0 379.548 4.191 50 0 GIAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027581531 570436633 /nfs/dbraw/zinc/43/66/33/570436633.db2.gz DXAGFZJXRNYTJJ-NRFANRHFSA-N 1 0 386.923 4.235 50 0 GIAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1Cl ZINC000027663929 570439189 /nfs/dbraw/zinc/43/91/89/570439189.db2.gz OVGJXQQDZUTTCE-INIZCTEOSA-N 1 0 378.925 4.367 50 0 GIAARO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1Cl ZINC000027663928 570439253 /nfs/dbraw/zinc/43/92/53/570439253.db2.gz OVGJXQQDZUTTCE-MRXNPFEDSA-N 1 0 378.925 4.367 50 0 GIAARO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000027747118 570441696 /nfs/dbraw/zinc/44/16/96/570441696.db2.gz BSCGCKMZSYWEGQ-NRFANRHFSA-N 1 0 382.504 4.051 50 0 GIAARO O=C(COc1ccccc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027749338 570442185 /nfs/dbraw/zinc/44/21/85/570442185.db2.gz JFFKKIAXJUDTMM-OAQYLSRUSA-N 1 0 386.923 4.452 50 0 GIAARO CC[C@@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(C)cc1 ZINC000248152089 570444629 /nfs/dbraw/zinc/44/46/29/570444629.db2.gz KFGFQGSULJITOG-RTWAWAEBSA-N 1 0 394.515 4.171 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1C ZINC000027989225 570447811 /nfs/dbraw/zinc/44/78/11/570447811.db2.gz DKFLBNPPFWRFTL-HXUWFJFHSA-N 1 0 386.561 4.477 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+](C)C)cc1 ZINC000028289744 570455626 /nfs/dbraw/zinc/45/56/26/570455626.db2.gz QRPLYYLUPULQKH-GOSISDBHSA-N 1 0 398.890 4.096 50 0 GIAARO CC(C)(CNC(=O)c1cccc(Br)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029160784 570469251 /nfs/dbraw/zinc/46/92/51/570469251.db2.gz AHLIJNGTSBDWOW-UHFFFAOYSA-N 1 0 387.321 4.016 50 0 GIAARO CCN1CCc2c(c(CN(C(=O)CC(C)C)C3CC3)nn2-c2ccc(C)cc2)C1 ZINC000035926194 570479522 /nfs/dbraw/zinc/47/95/22/570479522.db2.gz QKVMWLBLQRXLBQ-UHFFFAOYSA-N 1 0 394.563 4.096 50 0 GIAARO CCOC(=O)Nc1ccc2c(C[NH2+][C@@H](C)c3ccccc3OC)cc(=O)oc2c1 ZINC000006625467 570509328 /nfs/dbraw/zinc/50/93/28/570509328.db2.gz NKGODIXCUZZCTK-AWEZNQCLSA-N 1 0 396.443 4.221 50 0 GIAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)CSc3ccccc3)nc21 ZINC000005239605 570524838 /nfs/dbraw/zinc/52/48/38/570524838.db2.gz IRFMVICQJQMSSW-UHFFFAOYSA-N 1 0 385.558 4.292 50 0 GIAARO CCOc1ccc([C@@]2(O)[C@H](C)[N@@H+]3CCCC=C3N2c2ccc(OC)cc2)cc1 ZINC000005336519 570556266 /nfs/dbraw/zinc/55/62/66/570556266.db2.gz WIAKONAZEZMVLZ-SBUREZEXSA-N 1 0 380.488 4.085 50 0 GIAARO O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022907750 570563999 /nfs/dbraw/zinc/56/39/99/570563999.db2.gz OZPFXVAYVSBTTD-HXUWFJFHSA-N 1 0 380.488 4.417 50 0 GIAARO O=C(COc1ccccc1)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907720 570564127 /nfs/dbraw/zinc/56/41/27/570564127.db2.gz SERBJDHHKYIDIF-OAQYLSRUSA-N 1 0 392.524 4.043 50 0 GIAARO Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)c(C)c1 ZINC000012058489 570603547 /nfs/dbraw/zinc/60/35/47/570603547.db2.gz OVWSBPHPKMRBFH-FQEVSTJZSA-N 1 0 382.523 4.469 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCOc4ccccc4)C3)C2)c1 ZINC000012091381 570607663 /nfs/dbraw/zinc/60/76/63/570607663.db2.gz HWUWISSUXVFSGT-VWLOTQADSA-N 1 0 392.543 4.279 50 0 GIAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012387679 570652195 /nfs/dbraw/zinc/65/21/95/570652195.db2.gz ZNVFZCIQHPMDJL-LJQANCHMSA-N 1 0 382.935 4.400 50 0 GIAARO CN(CCc1ccccn1)c1ncccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000012436201 570662191 /nfs/dbraw/zinc/66/21/91/570662191.db2.gz GYJWSQPNGIXMKQ-UHFFFAOYSA-N 1 0 376.548 4.070 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1scnc1C ZINC000012438652 570663163 /nfs/dbraw/zinc/66/31/63/570663163.db2.gz KTQJOAKWBBNNCW-UHFFFAOYSA-N 1 0 385.577 4.177 50 0 GIAARO O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000012439581 570663555 /nfs/dbraw/zinc/66/35/55/570663555.db2.gz OXHMGFJRKVKPJK-HSZRJFAPSA-N 1 0 389.499 4.417 50 0 GIAARO Cc1ccc(-n2cc(C[N@H+](C)C[C@H]3COCCO3)c(-c3cccc(C)c3)n2)cc1 ZINC000012439804 570663960 /nfs/dbraw/zinc/66/39/60/570663960.db2.gz FWZMZIZPEPYYPZ-QHCPKHFHSA-N 1 0 391.515 4.003 50 0 GIAARO C[C@H]1CCc2c(sc3ncnc(N4CC[NH+](Cc5ccccc5)CC4)c23)C1 ZINC000054209028 570676766 /nfs/dbraw/zinc/67/67/66/570676766.db2.gz DESNIKZBNPUKSF-INIZCTEOSA-N 1 0 378.545 4.138 50 0 GIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)c(C)c1 ZINC000012570240 570681058 /nfs/dbraw/zinc/68/10/58/570681058.db2.gz IWPBKOQUHIGYCP-IBGZPJMESA-N 1 0 380.488 4.057 50 0 GIAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)[C@@H]2CC23CCCCC3)CC1 ZINC000012596033 570689348 /nfs/dbraw/zinc/68/93/48/570689348.db2.gz JGYUMJKXUWWNEQ-QFIPXVFZSA-N 1 0 398.591 4.379 50 0 GIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1C ZINC000012704865 570700165 /nfs/dbraw/zinc/70/01/65/570700165.db2.gz AFCXMGHLZMFEHL-LJQANCHMSA-N 1 0 383.536 4.240 50 0 GIAARO C[C@H](c1ccc2c(c1)OCCO2)[N@H+](C)Cc1cn(C)nc1-c1ccccc1F ZINC000012714278 570703644 /nfs/dbraw/zinc/70/36/44/570703644.db2.gz GSQVNTFDHPDPBL-OAHLLOKOSA-N 1 0 381.451 4.190 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716415 570704369 /nfs/dbraw/zinc/70/43/69/570704369.db2.gz AVWVKWFYLAPAQX-QHCPKHFHSA-N 1 0 394.559 4.284 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc(F)c1 ZINC000017794502 570714956 /nfs/dbraw/zinc/71/49/56/570714956.db2.gz QEQKEYXTDHGOLV-HSZRJFAPSA-N 1 0 376.475 4.454 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000000934810 570727226 /nfs/dbraw/zinc/72/72/26/570727226.db2.gz COJGFLIDNHPGAT-IBGZPJMESA-N 1 0 397.906 4.314 50 0 GIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000013041390 570743480 /nfs/dbraw/zinc/74/34/80/570743480.db2.gz AEIYXGKQEGZXJU-QGZVFWFLSA-N 1 0 395.503 4.006 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000013058400 570744000 /nfs/dbraw/zinc/74/40/00/570744000.db2.gz ZKFNNBYGYKJSND-UNMCSNQZSA-N 1 0 398.572 4.289 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccc(F)c1 ZINC000032730481 570776839 /nfs/dbraw/zinc/77/68/39/570776839.db2.gz SMFJWQMTTPGSDV-SFHVURJKSA-N 1 0 387.842 4.167 50 0 GIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CC4CCCC4)ccc3n2)CC1 ZINC000033084645 570806066 /nfs/dbraw/zinc/80/60/66/570806066.db2.gz NYIUAXALNHLMGE-UHFFFAOYSA-N 1 0 380.536 4.204 50 0 GIAARO O=c1occ(C[NH+]2CCCCCC2)c([O-])c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000101408145 570822069 /nfs/dbraw/zinc/82/20/69/570822069.db2.gz JXOWZVAXKJPSBR-UHFFFAOYSA-N 1 0 396.531 4.101 50 0 GIAARO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCCC2 ZINC000014123970 570824025 /nfs/dbraw/zinc/82/40/25/570824025.db2.gz SSQALQSYHYGDEF-MRXNPFEDSA-N 1 0 380.488 4.016 50 0 GIAARO CC[N@@H+](Cc1ccc(OC)c(F)c1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000014128992 570824303 /nfs/dbraw/zinc/82/43/03/570824303.db2.gz JSTULRYVORSFOB-SIKLNZKXSA-N 1 0 387.495 4.111 50 0 GIAARO COc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000014198627 570828981 /nfs/dbraw/zinc/82/89/81/570828981.db2.gz KWCGRUMEBBMHQG-QGZVFWFLSA-N 1 0 394.540 4.489 50 0 GIAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccc3ccccc31)C(=O)N2CC ZINC000014755909 570859322 /nfs/dbraw/zinc/85/93/22/570859322.db2.gz UYYDBHATQVZKJV-GOSISDBHSA-N 1 0 393.531 4.257 50 0 GIAARO CCOc1c(Br)cc(C[NH2+]Cc2ccccc2OC)cc1OC ZINC000013720537 570863570 /nfs/dbraw/zinc/86/35/70/570863570.db2.gz KFPJKLIQTDMUQQ-UHFFFAOYSA-N 1 0 380.282 4.155 50 0 GIAARO COc1cc2ncc(CN3CCC[C@H]3c3nc4ccccc4[nH]3)cc2c(OC)c1 ZINC000170606896 570864006 /nfs/dbraw/zinc/86/40/06/570864006.db2.gz BZNSTNMIKKDXDP-NRFANRHFSA-N 1 0 388.471 4.465 50 0 GIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4ccc(C)s4)CC3)on2)c1 ZINC000014967089 570867467 /nfs/dbraw/zinc/86/74/67/570867467.db2.gz OOEACZCYNXLECG-UHFFFAOYSA-N 1 0 398.528 4.290 50 0 GIAARO CCN1CCN(C(=O)CCC2CC[NH+](C[C@H](C)CCC=C(C)C)CC2)CC1 ZINC000014979905 570869077 /nfs/dbraw/zinc/86/90/77/570869077.db2.gz RAHQZNHHLMRGDX-OAQYLSRUSA-N 1 0 377.617 4.025 50 0 GIAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Nc2ccccc2)C1 ZINC000015062592 570874665 /nfs/dbraw/zinc/87/46/65/570874665.db2.gz YDVLIGQVFCZDHN-LJQANCHMSA-N 1 0 381.520 4.114 50 0 GIAARO c1ccc(C[N@@H+]2CCCO[C@@H](CSc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000170617557 570874974 /nfs/dbraw/zinc/87/49/74/570874974.db2.gz LZVFJTHWOJIJDK-LJQANCHMSA-N 1 0 381.501 4.120 50 0 GIAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1)Nc1ccccc1F ZINC000015064626 570875001 /nfs/dbraw/zinc/87/50/01/570875001.db2.gz MCOOELBFXSTYPU-OAHLLOKOSA-N 1 0 398.507 4.461 50 0 GIAARO C[C@@H](CNC(=O)C1CCCCC1)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000015072198 570877890 /nfs/dbraw/zinc/87/78/90/570877890.db2.gz AUGPJLGKBFLNHP-SFHVURJKSA-N 1 0 384.520 4.375 50 0 GIAARO CCCn1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074396 570878372 /nfs/dbraw/zinc/87/83/72/570878372.db2.gz BZXVWNFOSISHOX-HXUWFJFHSA-N 1 0 386.559 4.127 50 0 GIAARO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000015079257 570879466 /nfs/dbraw/zinc/87/94/66/570879466.db2.gz QGDUPZJIXZGFLC-SFHVURJKSA-N 1 0 377.488 4.292 50 0 GIAARO CCOc1ccc(CNCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1OC ZINC000097002583 570885651 /nfs/dbraw/zinc/88/56/51/570885651.db2.gz FIMOFHKWOPUHSO-LJQANCHMSA-N 1 0 398.547 4.084 50 0 GIAARO C[C@H](OC[C@@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1 ZINC000032895621 570887173 /nfs/dbraw/zinc/88/71/73/570887173.db2.gz NWZKWPVUZHVZCA-AOMKIAJQSA-N 1 0 389.923 4.364 50 0 GIAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)c1 ZINC000015518393 570896099 /nfs/dbraw/zinc/89/60/99/570896099.db2.gz SOJGSXFXQBWUFR-FQEVSTJZSA-N 1 0 379.456 4.456 50 0 GIAARO C[NH+](C)Cc1ccccc1CNC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000534676071 570923558 /nfs/dbraw/zinc/92/35/58/570923558.db2.gz BYUCYHDBGCEUPI-UHFFFAOYSA-N 1 0 389.902 4.415 50 0 GIAARO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)n1cnc2ccccc21 ZINC000105681497 570931195 /nfs/dbraw/zinc/93/11/95/570931195.db2.gz BKSKKYZKRVDZJK-OALUTQOASA-N 1 0 390.531 4.146 50 0 GIAARO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1cc(=O)n2ccccc2n1)C1CC1 ZINC000054396495 570932367 /nfs/dbraw/zinc/93/23/67/570932367.db2.gz IISXIZLCJPBQSK-AWEZNQCLSA-N 1 0 387.405 4.439 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc(F)ccc2Br)C1 ZINC000047039196 570939206 /nfs/dbraw/zinc/93/92/06/570939206.db2.gz FJQFNBYMQRKFGT-KBPBESRZSA-N 1 0 385.321 4.076 50 0 GIAARO Cc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000034827616 570942659 /nfs/dbraw/zinc/94/26/59/570942659.db2.gz NHQZWDCNEJJOGT-VXKWHMMOSA-N 1 0 394.540 4.331 50 0 GIAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(OC)cc1OC ZINC000001278026 570952759 /nfs/dbraw/zinc/95/27/59/570952759.db2.gz QPKTXCAIFDWWAY-UHFFFAOYSA-N 1 0 382.508 4.007 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccs1 ZINC000012729343 570973727 /nfs/dbraw/zinc/97/37/27/570973727.db2.gz OSXDKVDVUDAUIR-IBGZPJMESA-N 1 0 393.512 4.033 50 0 GIAARO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000019367694 570979981 /nfs/dbraw/zinc/97/99/81/570979981.db2.gz BCTRVORDRWHPEY-UHFFFAOYSA-N 1 0 394.918 4.498 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)c1cc2c(cc(C)cc2C)[nH]1)[NH+]1CCCC1 ZINC000012743004 570986941 /nfs/dbraw/zinc/98/69/41/570986941.db2.gz HHZFZJAQJUEJTD-QFIPXVFZSA-N 1 0 391.515 4.360 50 0 GIAARO CCCOc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000170654901 570999570 /nfs/dbraw/zinc/99/95/70/570999570.db2.gz PWJTXWXSQISESL-TZIWHRDSSA-N 1 0 396.531 4.024 50 0 GIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C1 ZINC000091486050 571010362 /nfs/dbraw/zinc/01/03/62/571010362.db2.gz VSYXTJAPQVGEDB-JOCHJYFZSA-N 1 0 377.532 4.122 50 0 GIAARO CC(C)c1cccc(C(C)C)c1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000012766910 571016998 /nfs/dbraw/zinc/01/69/98/571016998.db2.gz JMSCPVBYVDHVAN-UHFFFAOYSA-N 1 0 394.563 4.479 50 0 GIAARO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)cc1 ZINC000091636580 571020214 /nfs/dbraw/zinc/02/02/14/571020214.db2.gz DXWKNXZAQHJUEM-UHFFFAOYSA-N 1 0 391.559 4.091 50 0 GIAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C2CCC(O)CC2)cc1 ZINC000007777627 571035757 /nfs/dbraw/zinc/03/57/57/571035757.db2.gz OQIYBARLMWRFTL-MHJFOBGBSA-N 1 0 377.569 4.033 50 0 GIAARO Cc1ccc2onc(CC(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)c2c1 ZINC000015675143 571041253 /nfs/dbraw/zinc/04/12/53/571041253.db2.gz DBNRVCLIVNXHEI-UHFFFAOYSA-N 1 0 379.504 4.096 50 0 GIAARO O=C([O-])c1cccc([C@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)c1 ZINC000095353967 571051008 /nfs/dbraw/zinc/05/10/08/571051008.db2.gz IBANPGIVKJYZKH-FQEVSTJZSA-N 1 0 384.545 4.422 50 0 GIAARO O=C([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)cc1 ZINC000095368898 571059742 /nfs/dbraw/zinc/05/97/42/571059742.db2.gz RPUMTQWRRIFIJE-HXUWFJFHSA-N 1 0 384.545 4.422 50 0 GIAARO c1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 ZINC000095377995 571065781 /nfs/dbraw/zinc/06/57/81/571065781.db2.gz XQHPZTGAVVPXBM-PZJWPPBQSA-N 1 0 390.556 4.302 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(Cl)cn2C)C1 ZINC000095503166 571077131 /nfs/dbraw/zinc/07/71/31/571077131.db2.gz IMRIZBNBJHPSSB-SFHVURJKSA-N 1 0 387.955 4.014 50 0 GIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2ncc[nH]2)C2CCCC2)CC1 ZINC000095504236 571077442 /nfs/dbraw/zinc/07/74/42/571077442.db2.gz QJQDWJMCQOJCLY-UHFFFAOYSA-N 1 0 394.563 4.058 50 0 GIAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000095505135 571077870 /nfs/dbraw/zinc/07/78/70/571077870.db2.gz WCDXRBAFTYYVEK-HXUWFJFHSA-N 1 0 392.478 4.109 50 0 GIAARO CC(C)n1ccnc1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000095508688 571080230 /nfs/dbraw/zinc/08/02/30/571080230.db2.gz MGQNUODKAKYTGE-JOCHJYFZSA-N 1 0 394.563 4.225 50 0 GIAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000095525046 571090115 /nfs/dbraw/zinc/09/01/15/571090115.db2.gz PEWXXUWEATXLKQ-UHFFFAOYSA-N 1 0 396.922 4.302 50 0 GIAARO [NH3+]CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000095526957 571091091 /nfs/dbraw/zinc/09/10/91/571091091.db2.gz SNNWHMSYLFEJMD-FQEVSTJZSA-N 1 0 387.405 4.010 50 0 GIAARO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](CC3CC3)CC23CCCCC3)c(C)c1 ZINC000409420701 823220958 /nfs/dbraw/zinc/22/09/58/823220958.db2.gz IYKAAWZOEGIYLJ-LJQANCHMSA-N 1 0 385.552 4.417 50 0 GIAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166780 823257565 /nfs/dbraw/zinc/25/75/65/823257565.db2.gz APLISXBFMXMZAL-UHFFFAOYSA-N 1 0 383.879 4.184 50 0 GIAARO C[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(Cl)cc1 ZINC000002693634 817397959 /nfs/dbraw/zinc/39/79/59/817397959.db2.gz WSMJUEMJFROOFF-UHFFFAOYSA-N 1 0 397.931 4.034 50 0 GIAARO COc1ccc(NC(=S)N(Cc2ccco2)C2CC[NH+](C(C)C)CC2)cc1 ZINC000002912836 817405584 /nfs/dbraw/zinc/40/55/84/817405584.db2.gz HYLUCWZXGZEEKU-UHFFFAOYSA-N 1 0 387.549 4.360 50 0 GIAARO COc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccco2)cc1Cl ZINC000003047337 817414935 /nfs/dbraw/zinc/41/49/35/817414935.db2.gz QAZDTBLCRVKABV-CYBMUJFWSA-N 1 0 381.929 4.263 50 0 GIAARO Cc1cc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)ccc1Cl ZINC000003049931 817415603 /nfs/dbraw/zinc/41/56/03/817415603.db2.gz PZILXHKEUDQLHW-HNNXBMFYSA-N 1 0 376.957 4.365 50 0 GIAARO COc1ccc(NC(=S)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000003211481 817422019 /nfs/dbraw/zinc/42/20/19/817422019.db2.gz PRNFUCRCPWUKRP-KDOFPFPSSA-N 1 0 375.563 4.269 50 0 GIAARO O[C@H](COc1ccc(F)cc1Cl)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003242524 817427015 /nfs/dbraw/zinc/42/70/15/817427015.db2.gz OLUMAWOALAGELM-IBGZPJMESA-N 1 0 377.887 4.174 50 0 GIAARO CC[NH2+][C@H](C)C(=O)N1c2ccccc2CCc2ccc(NC(=O)OCC)cc21 ZINC000005247229 817565711 /nfs/dbraw/zinc/56/57/11/817565711.db2.gz SBUCNWCAQMVXRW-OAHLLOKOSA-N 1 0 381.476 4.016 50 0 GIAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000176741891 823282579 /nfs/dbraw/zinc/28/25/79/823282579.db2.gz NOCZWPCFVBDHGZ-INIZCTEOSA-N 1 0 397.906 4.157 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)Cc3cscn3)CC2)c(C)c1 ZINC000012020799 818137056 /nfs/dbraw/zinc/13/70/56/818137056.db2.gz AYOVGBIQQMANHK-FQEVSTJZSA-N 1 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383.879 4.399 50 0 GIAARO C[N@H+](Cc1cccn1-c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000019810604 818605951 /nfs/dbraw/zinc/60/59/51/818605951.db2.gz DMOWIAYXOJEUPO-HXUWFJFHSA-N 1 0 378.495 4.108 50 0 GIAARO c1ccc(-c2ccc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000019805709 818605982 /nfs/dbraw/zinc/60/59/82/818605982.db2.gz SDBHKTQKSLZHNJ-UHFFFAOYSA-N 1 0 386.495 4.400 50 0 GIAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1ccccc1Cl ZINC000019798772 818606028 /nfs/dbraw/zinc/60/60/28/818606028.db2.gz GEOZZNGUFOMYHD-CTNGQTDRSA-N 1 0 391.987 4.120 50 0 GIAARO CC(C)N(CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12)C(C)C ZINC000020112126 818614115 /nfs/dbraw/zinc/61/41/15/818614115.db2.gz NBJXGSCHUJBUEZ-QNTNZKOWSA-N 1 0 376.585 4.009 50 0 GIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3C=C12 ZINC000020755879 818630512 /nfs/dbraw/zinc/63/05/12/818630512.db2.gz DUGACSPHBUDFSB-AFFJLAOCSA-N 1 0 398.591 4.171 50 0 GIAARO CCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756589 818630527 /nfs/dbraw/zinc/63/05/27/818630527.db2.gz QLTPDCKWJYRDBA-ZEQRLZLVSA-N 1 0 383.532 4.189 50 0 GIAARO CCC[NH+](CCC)CCCNc1ncnc2onc(-c3cccc(OC)c3)c21 ZINC000021714913 818729375 /nfs/dbraw/zinc/72/93/75/818729375.db2.gz BNFULLOQQMQHRS-UHFFFAOYSA-N 1 0 383.496 4.217 50 0 GIAARO CC[C@H]1CCCC[N@@H+]1CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000021714620 818729392 /nfs/dbraw/zinc/72/93/92/818729392.db2.gz MQKMESYDJSIYJV-KRWDZBQOSA-N 1 0 383.471 4.490 50 0 GIAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCOc3cccc(F)c3)cc2)C1 ZINC000058064393 823358802 /nfs/dbraw/zinc/35/88/02/823358802.db2.gz GHYOYHFGHDRKRG-GOSISDBHSA-N 1 0 384.495 4.143 50 0 GIAARO CCn1c2ccccc2nc1CN[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000022918653 818876143 /nfs/dbraw/zinc/87/61/43/818876143.db2.gz PPCDJWWLCNJYIY-OAQYLSRUSA-N 1 0 376.548 4.243 50 0 GIAARO CC[N@@H+]1CC[C@H](CNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000058926244 823471047 /nfs/dbraw/zinc/47/10/47/823471047.db2.gz JMFFHKKZDFIHMR-QGZVFWFLSA-N 1 0 378.472 4.083 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000032764482 821005756 /nfs/dbraw/zinc/00/57/56/821005756.db2.gz VBLBPYKHBBRIOX-UHFFFAOYSA-N 1 0 392.330 4.317 50 0 GIAARO Cc1ccc([C@@](O)(CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C(F)(F)F)o1 ZINC000040088627 821133899 /nfs/dbraw/zinc/13/38/99/821133899.db2.gz GJEHUXBGOCWKGD-HNNXBMFYSA-N 1 0 397.315 4.416 50 0 GIAARO Cc1ccc(NC(=O)COc2ccc(Br)cc2C[NH2+]C(C)C)cc1 ZINC000040721150 821164603 /nfs/dbraw/zinc/16/46/03/821164603.db2.gz ZEFFRCJOOMMDNQ-UHFFFAOYSA-N 1 0 391.309 4.273 50 0 GIAARO CC1(C)CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1C(F)(F)F ZINC000190283172 823559030 /nfs/dbraw/zinc/55/90/30/823559030.db2.gz XQERXBMNQGIRLG-SFHVURJKSA-N 1 0 397.485 4.271 50 0 GIAARO COc1ccccc1-c1nc(C2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)no1 ZINC000191633780 823720174 /nfs/dbraw/zinc/72/01/74/823720174.db2.gz JSKFDJBQGGKLTA-UHFFFAOYSA-N 1 0 395.507 4.076 50 0 GIAARO COc1ccc2c(c1)CCC[C@@H]2[NH+]1CC(Cn2c(C)cnc2-c2ccncc2)C1 ZINC000575548932 823976199 /nfs/dbraw/zinc/97/61/99/823976199.db2.gz FMWIBJXRZYWAPC-QHCPKHFHSA-N 1 0 388.515 4.272 50 0 GIAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](Cn2c(C)cnc2C2CCOCC2)C1 ZINC000575547603 823976414 /nfs/dbraw/zinc/97/64/14/823976414.db2.gz LQNHYLKUDDXGDY-FQEVSTJZSA-N 1 0 397.563 4.396 50 0 GIAARO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc(CCOCC4CCCC4)no3)C2)c1 ZINC000575559798 823977517 /nfs/dbraw/zinc/97/75/17/823977517.db2.gz RZBUPIKLIZUGLI-LJQANCHMSA-N 1 0 387.499 4.338 50 0 GIAARO COc1ccc(F)cc1-c1ccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000426360032 231207295 /nfs/dbraw/zinc/20/72/95/231207295.db2.gz YIOPNRQQUZLCEP-HSZRJFAPSA-N 1 0 382.479 4.059 50 0 GIAARO C[NH+]1CCC2(CCN(C(=O)C[C@@H](c3ccccc3)c3ccc(F)cc3)C2)CC1 ZINC000426477965 530051305 /nfs/dbraw/zinc/05/13/05/530051305.db2.gz GQZSIDAHPZOUJC-QFIPXVFZSA-N 1 0 380.507 4.292 50 0 GIAARO O=C(c1ccccc1C(F)(F)F)N1CCC[N@H+](CCc2ccccc2)CC1 ZINC000004324614 204037430 /nfs/dbraw/zinc/03/74/30/204037430.db2.gz UUIQYJLAYAVVNU-UHFFFAOYSA-N 1 0 376.422 4.096 50 0 GIAARO C[NH+](C)CCCN(C(=O)c1ccc(F)cc1)c1nc2c(cccc2F)s1 ZINC000004359755 204040259 /nfs/dbraw/zinc/04/02/59/204040259.db2.gz ATWQRFVVMZGDJQ-UHFFFAOYSA-N 1 0 375.444 4.173 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+](CC)C1CCCCC1)CCCC2 ZINC000004091285 204026963 /nfs/dbraw/zinc/02/69/63/204026963.db2.gz PDBOQDKCUVJEOM-UHFFFAOYSA-N 1 0 392.565 4.397 50 0 GIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)cc2)N3)C1 ZINC000004555593 204053481 /nfs/dbraw/zinc/05/34/81/204053481.db2.gz ITKJKOWYUPKITN-HNNXBMFYSA-N 1 0 392.322 4.318 50 0 GIAARO CC[NH+](CC)CCNC(=O)CCC(=O)NC1CCCCCCCCCCC1 ZINC000004677285 204063477 /nfs/dbraw/zinc/06/34/77/204063477.db2.gz AHNFCXGKKFQNLT-UHFFFAOYSA-N 1 0 381.605 4.014 50 0 GIAARO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1cccnc1 ZINC000004942939 204094474 /nfs/dbraw/zinc/09/44/74/204094474.db2.gz ISMQWLIDMUHMPT-UHFFFAOYSA-N 1 0 391.309 4.464 50 0 GIAARO COc1ccc(C[NH2+]CC2(c3ccc(OC)c(OC)c3)CCCC2)cc1OC ZINC000004947527 204095748 /nfs/dbraw/zinc/09/57/48/204095748.db2.gz LIODAWREAWOMDD-UHFFFAOYSA-N 1 0 385.504 4.323 50 0 GIAARO Cn1c(CC[NH+]2CCCCC2)nc2cc(NC(=O)NC3CCCCC3)ccc21 ZINC000005999486 204161654 /nfs/dbraw/zinc/16/16/54/204161654.db2.gz MHVGCFFEGKTRQN-UHFFFAOYSA-N 1 0 383.540 4.056 50 0 GIAARO O=C(NCc1ccccn1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005572053 204140466 /nfs/dbraw/zinc/14/04/66/204140466.db2.gz RFCWMBSQGJWNQS-UHFFFAOYSA-N 1 0 399.538 4.466 50 0 GIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817703 204211798 /nfs/dbraw/zinc/21/17/98/204211798.db2.gz NNUUXVLGCLCFMP-HZPDHXFCSA-N 1 0 398.576 4.076 50 0 GIAARO C[NH+](C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006871432 204217550 /nfs/dbraw/zinc/21/75/50/204217550.db2.gz ORTNFTDFFJBBSI-UHFFFAOYSA-N 1 0 375.451 4.200 50 0 GIAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1c(F)cccc1F ZINC000006628971 204187294 /nfs/dbraw/zinc/18/72/94/204187294.db2.gz NFDMEABQBSMGAD-UHFFFAOYSA-N 1 0 384.430 4.053 50 0 GIAARO O=C(C[NH2+]CCC(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 ZINC000006733389 204197288 /nfs/dbraw/zinc/19/72/88/204197288.db2.gz MJEXHZWHSIKWKJ-UHFFFAOYSA-N 1 0 384.523 4.383 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3F)o2)[NH+](C)C)cc1 ZINC000007990330 204257941 /nfs/dbraw/zinc/25/79/41/204257941.db2.gz XPIVWAMTXIQCBV-LJQANCHMSA-N 1 0 382.435 4.127 50 0 GIAARO CC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC)c2)C(C)C)cc1 ZINC000007719242 204247800 /nfs/dbraw/zinc/24/78/00/204247800.db2.gz PSLBHARZHXDQPS-UZUQRXQVSA-N 1 0 395.547 4.485 50 0 GIAARO C[NH+](C)C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000007818075 204252185 /nfs/dbraw/zinc/25/21/85/204252185.db2.gz ZFLIHDLLAUXSSJ-LJQANCHMSA-N 1 0 393.512 4.033 50 0 GIAARO O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007923689 204254855 /nfs/dbraw/zinc/25/48/55/204254855.db2.gz PSDNQTXDONEFQX-UHFFFAOYSA-N 1 0 393.314 4.284 50 0 GIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1Sc1ccccc1 ZINC000007989538 204257671 /nfs/dbraw/zinc/25/76/71/204257671.db2.gz YCVSONCWWOBJLX-LJQANCHMSA-N 1 0 389.524 4.237 50 0 GIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000008157212 204264442 /nfs/dbraw/zinc/26/44/42/204264442.db2.gz OGALBCONNHVXPQ-HXUWFJFHSA-N 1 0 399.466 4.100 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000008254121 204268163 /nfs/dbraw/zinc/26/81/63/204268163.db2.gz MPXSDJYPMDQULK-ZDUSSCGKSA-N 1 0 384.303 4.442 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254586 204268548 /nfs/dbraw/zinc/26/85/48/204268548.db2.gz YJOKXSRZVRLBDA-ZDUSSCGKSA-N 1 0 384.303 4.442 50 0 GIAARO COc1ccc2cc([C@H](C)C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)ccc2c1 ZINC000008346287 204273461 /nfs/dbraw/zinc/27/34/61/204273461.db2.gz FOQIAOHOCZGUOO-JTSKRJEESA-N 1 0 392.499 4.498 50 0 GIAARO COc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1OCc1ccccc1 ZINC000008395475 204275702 /nfs/dbraw/zinc/27/57/02/204275702.db2.gz WFOKSBSFGDVNJF-HXUWFJFHSA-N 1 0 391.467 4.204 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3csc(-c4ccsc4)n3)cc2)CC1 ZINC000009221391 204302582 /nfs/dbraw/zinc/30/25/82/204302582.db2.gz QUWWGNGGGMJZJC-UHFFFAOYSA-N 1 0 398.557 4.266 50 0 GIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000009549103 204315495 /nfs/dbraw/zinc/31/54/95/204315495.db2.gz RWZNZXATDCOPMC-AWEZNQCLSA-N 1 0 381.451 4.250 50 0 GIAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000009764314 204323327 /nfs/dbraw/zinc/32/33/27/204323327.db2.gz NMZXEHIVIIYOCD-JOCHJYFZSA-N 1 0 382.504 4.051 50 0 GIAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1C[NH+](C)C ZINC000009917162 204327244 /nfs/dbraw/zinc/32/72/44/204327244.db2.gz ZGZIORNIMNVAKL-CYBMUJFWSA-N 1 0 381.303 4.139 50 0 GIAARO COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000010213286 204330990 /nfs/dbraw/zinc/33/09/90/204330990.db2.gz YEDDRVPOXHSIOX-KRWDZBQOSA-N 1 0 384.520 4.329 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2ccc3ccccc3n2)[NH+]2CCCCC2)cc1 ZINC000010217070 204331629 /nfs/dbraw/zinc/33/16/29/204331629.db2.gz YZDGGQCMRLXBNF-HSZRJFAPSA-N 1 0 389.499 4.200 50 0 GIAARO COc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000010139802 204331804 /nfs/dbraw/zinc/33/18/04/204331804.db2.gz VVEJBJGXYWNODR-UHFFFAOYSA-N 1 0 393.487 4.003 50 0 GIAARO CC[NH+](CC)CCNC(=O)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc21 ZINC000009144535 204300238 /nfs/dbraw/zinc/30/02/38/204300238.db2.gz MQLSYKJCSZBGAV-UHFFFAOYSA-N 1 0 393.531 4.056 50 0 GIAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000011699322 204351301 /nfs/dbraw/zinc/35/13/01/204351301.db2.gz KBYCTNHNGKWNPZ-UHFFFAOYSA-N 1 0 399.498 4.204 50 0 GIAARO COc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)c1 ZINC000011769230 204351959 /nfs/dbraw/zinc/35/19/59/204351959.db2.gz JWCLYSOVKNSDMA-FQEVSTJZSA-N 1 0 395.547 4.422 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(OC)CC2)c(F)c1 ZINC000011775619 204352926 /nfs/dbraw/zinc/35/29/26/204352926.db2.gz DTVYOWBCUSGFSZ-UHFFFAOYSA-N 1 0 395.478 4.298 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000011905238 204360379 /nfs/dbraw/zinc/36/03/79/204360379.db2.gz GUHCCEHZBPEFOO-IBGZPJMESA-N 1 0 379.460 4.282 50 0 GIAARO CC(C)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)no1 ZINC000011933349 204361755 /nfs/dbraw/zinc/36/17/55/204361755.db2.gz UGTWBUIHCZDEOK-JOCHJYFZSA-N 1 0 385.483 4.065 50 0 GIAARO CCOc1ccc(C[NH+]2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000011934784 204361806 /nfs/dbraw/zinc/36/18/06/204361806.db2.gz RRELEKKPBJQNDY-UHFFFAOYSA-N 1 0 392.499 4.310 50 0 GIAARO C[C@@H](Cc1ccccc1F)[NH+]1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000011933629 204362097 /nfs/dbraw/zinc/36/20/97/204362097.db2.gz REONIJOXFZBDAJ-INIZCTEOSA-N 1 0 386.515 4.275 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)CCSc3ccccc3F)cc2)CC1 ZINC000011951394 204364509 /nfs/dbraw/zinc/36/45/09/204364509.db2.gz WFNPORBSDLFZMT-UHFFFAOYSA-N 1 0 387.524 4.089 50 0 GIAARO O=C(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000011999272 204366088 /nfs/dbraw/zinc/36/60/88/204366088.db2.gz CFXFMJGUVJBUQF-OAQYLSRUSA-N 1 0 394.946 4.120 50 0 GIAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000012001060 204366124 /nfs/dbraw/zinc/36/61/24/204366124.db2.gz YZHKGPQDELOZMH-UHFFFAOYSA-N 1 0 391.519 4.253 50 0 GIAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000011093924 204343087 /nfs/dbraw/zinc/34/30/87/204343087.db2.gz LDZSSGMLTLMTFJ-BFUOFWGJSA-N 1 0 390.430 4.050 50 0 GIAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000011092900 204343195 /nfs/dbraw/zinc/34/31/95/204343195.db2.gz HJLSIHSGLKSFEG-XOBRGWDASA-N 1 0 388.895 4.425 50 0 GIAARO Cc1nc(N2CCC[C@H]([NH2+]CCc3cccc(F)c3)CC2)nc2ccc(F)cc12 ZINC000012278896 204389556 /nfs/dbraw/zinc/38/95/56/204389556.db2.gz FTKIZNRWWUGCPT-FQEVSTJZSA-N 1 0 396.485 4.408 50 0 GIAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)[nH]n1 ZINC000012301201 204391475 /nfs/dbraw/zinc/39/14/75/204391475.db2.gz GKNIJVSAFJETKG-OAQYLSRUSA-N 1 0 375.944 4.079 50 0 GIAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000012300216 204392111 /nfs/dbraw/zinc/39/21/11/204392111.db2.gz RUULLDIHDJUTHC-UHFFFAOYSA-N 1 0 399.494 4.459 50 0 GIAARO CCCCc1nc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c[nH]1 ZINC000012317109 204395078 /nfs/dbraw/zinc/39/50/78/204395078.db2.gz OMMLCHIHEFZWIF-HXUWFJFHSA-N 1 0 386.559 4.278 50 0 GIAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000012317564 204396166 /nfs/dbraw/zinc/39/61/66/204396166.db2.gz MYPOZRBKYICUNH-UHFFFAOYSA-N 1 0 385.483 4.161 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)n(-c2ccccc2C)n1 ZINC000012865954 204459022 /nfs/dbraw/zinc/45/90/22/204459022.db2.gz ZPDKQYHJNIDZBQ-MRXNPFEDSA-N 1 0 382.895 4.432 50 0 GIAARO COCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000013722342 204507613 /nfs/dbraw/zinc/50/76/13/204507613.db2.gz ABEOJSBCCOSMAO-UHFFFAOYSA-N 1 0 382.273 4.293 50 0 GIAARO C[C@H]([NH2+]C1CCN(c2ccc(CC(=O)N3CCCC3)cc2)CC1)c1cccs1 ZINC000015003041 204554282 /nfs/dbraw/zinc/55/42/82/204554282.db2.gz ITYHWRKPFZXVND-SFHVURJKSA-N 1 0 397.588 4.233 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cccnc1C ZINC000015062415 204556028 /nfs/dbraw/zinc/55/60/28/204556028.db2.gz WQMXYBZXONUCGO-UHFFFAOYSA-N 1 0 379.548 4.115 50 0 GIAARO O=C1CC[N@@H+](C/C=C/c2ccco2)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000015068033 204556831 /nfs/dbraw/zinc/55/68/31/204556831.db2.gz MYEOOEXICOJLQK-QHHAFSJGSA-N 1 0 378.394 4.046 50 0 GIAARO Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c1 ZINC000021171893 204755467 /nfs/dbraw/zinc/75/54/67/204755467.db2.gz VBABWUFDQQOYDM-LJQANCHMSA-N 1 0 390.531 4.125 50 0 GIAARO CCC[NH+](CCC)CCCNc1ncnc2onc(-c3ccccc3OC)c21 ZINC000021715016 204762487 /nfs/dbraw/zinc/76/24/87/204762487.db2.gz SZAMDECZDSPDGC-UHFFFAOYSA-N 1 0 383.496 4.217 50 0 GIAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@@H](C)Cc4ccccn4)CC3)c2)n1 ZINC000023337837 204803669 /nfs/dbraw/zinc/80/36/69/204803669.db2.gz WAPDPPFLDCNNSO-SFHVURJKSA-N 1 0 387.531 4.037 50 0 GIAARO C[C@@H]1CCC[N@H+](CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000033312166 204959791 /nfs/dbraw/zinc/95/97/91/204959791.db2.gz ZWDUFULJKYVMOO-OAHLLOKOSA-N 1 0 394.357 4.425 50 0 GIAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccc(C)c2)cc1 ZINC000036098662 205005610 /nfs/dbraw/zinc/00/56/10/205005610.db2.gz SCHWJJBYLQKSNJ-FQEVSTJZSA-N 1 0 381.472 4.039 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)Cc2ccccc2)c1OC ZINC000036103642 205005994 /nfs/dbraw/zinc/00/59/94/205005994.db2.gz VAKUMLUWPVPKCW-QHCPKHFHSA-N 1 0 391.511 4.310 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)cc1 ZINC000036102364 205006527 /nfs/dbraw/zinc/00/65/27/205006527.db2.gz CARJHXYSVOFTEW-NRFANRHFSA-N 1 0 399.462 4.007 50 0 GIAARO COc1ccc(OC[C@@H](O)C[N@H+](CCC(C)C)Cc2ccc(F)cc2F)cc1 ZINC000036099803 205006598 /nfs/dbraw/zinc/00/65/98/205006598.db2.gz OAKYPLKPHGNKCL-IBGZPJMESA-N 1 0 393.474 4.261 50 0 GIAARO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC000036343973 205010877 /nfs/dbraw/zinc/01/08/77/205010877.db2.gz SUTXPACBAIFEBL-QFIPXVFZSA-N 1 0 397.494 4.242 50 0 GIAARO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000036447066 205018197 /nfs/dbraw/zinc/01/81/97/205018197.db2.gz BOELZLLRPCWHHR-CVEARBPZSA-N 1 0 385.895 4.018 50 0 GIAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCC3)n2Cc2ccc(C)cc2)s1 ZINC000037587821 205030509 /nfs/dbraw/zinc/03/05/09/205030509.db2.gz XTTQEGHQYAAJGZ-UHFFFAOYSA-N 1 0 381.545 4.194 50 0 GIAARO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000040002595 205045799 /nfs/dbraw/zinc/04/57/99/205045799.db2.gz SMRRDNWVGJSIGV-UONOGXRCSA-N 1 0 391.309 4.444 50 0 GIAARO O=C(CCc1ccc(Cl)cc1Cl)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000040157250 205060363 /nfs/dbraw/zinc/06/03/63/205060363.db2.gz GJDYKQZIOHRYQP-UHFFFAOYSA-N 1 0 392.330 4.102 50 0 GIAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1cccc(Cl)c1 ZINC000040719400 205067828 /nfs/dbraw/zinc/06/78/28/205067828.db2.gz QFNNYRAWSSZVHL-UHFFFAOYSA-N 1 0 385.895 4.304 50 0 GIAARO COc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1ccccc1Cl ZINC000040721012 205069158 /nfs/dbraw/zinc/06/91/58/205069158.db2.gz OUFUUTCHAAGNLN-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO COc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000040721010 205069803 /nfs/dbraw/zinc/06/98/03/205069803.db2.gz MXBOTSITPHLXGN-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000299740413 205093057 /nfs/dbraw/zinc/09/30/57/205093057.db2.gz ZKYDOAUGWKWADZ-HZPDHXFCSA-N 1 0 393.462 4.347 50 0 GIAARO CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000045462989 205097726 /nfs/dbraw/zinc/09/77/26/205097726.db2.gz CEMWRQUXIQVKFW-UHFFFAOYSA-N 1 0 397.485 4.500 50 0 GIAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCc3ccc(F)cc3)c2)cc1 ZINC000040739115 205071010 /nfs/dbraw/zinc/07/10/10/205071010.db2.gz CRVDFLGRXGOLRV-UHFFFAOYSA-N 1 0 392.474 4.484 50 0 GIAARO C[N@H+](Cc1ccccc1)Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)c1 ZINC000048134933 205112448 /nfs/dbraw/zinc/11/24/48/205112448.db2.gz JUOSFYHCXNKCNA-UHFFFAOYSA-N 1 0 382.467 4.131 50 0 GIAARO CCOC(=O)C1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccccn2)CC1 ZINC000054114278 205139349 /nfs/dbraw/zinc/13/93/49/205139349.db2.gz OUWJOVWLFBHTDR-QFIPXVFZSA-N 1 0 377.488 4.236 50 0 GIAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N(Cc1nccs1)Cc1ccccc1 ZINC000055196386 205146042 /nfs/dbraw/zinc/14/60/42/205146042.db2.gz CTDAQEGODDOAHB-MRXNPFEDSA-N 1 0 383.542 4.472 50 0 GIAARO CSc1ncc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)cn1 ZINC000055568665 205149389 /nfs/dbraw/zinc/14/93/89/205149389.db2.gz HNGBXFPVVRSEGO-GOSISDBHSA-N 1 0 397.523 4.327 50 0 GIAARO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000056764235 205152225 /nfs/dbraw/zinc/15/22/25/205152225.db2.gz UPELBDLEVBCJLB-OAQYLSRUSA-N 1 0 379.504 4.360 50 0 GIAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc2ccccc21 ZINC000057289974 205155694 /nfs/dbraw/zinc/15/56/94/205155694.db2.gz GKFXMGXHIPAKBQ-KRWDZBQOSA-N 1 0 387.483 4.256 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1cccs1)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000058200903 205169121 /nfs/dbraw/zinc/16/91/21/205169121.db2.gz OPJVWKAAIYQPRT-IBGZPJMESA-N 1 0 397.496 4.221 50 0 GIAARO O=C(CCSc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058406080 205174463 /nfs/dbraw/zinc/17/44/63/205174463.db2.gz SVHFPPVAKCKODW-UHFFFAOYSA-N 1 0 390.499 4.228 50 0 GIAARO C[C@@]1(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)CCCc2ccccc21 ZINC000058423946 205174730 /nfs/dbraw/zinc/17/47/30/205174730.db2.gz VDZLSSMIDBFDEK-XMMPIXPASA-N 1 0 380.507 4.201 50 0 GIAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3coc(Br)c3)cc2)C1 ZINC000058949421 205179058 /nfs/dbraw/zinc/17/90/58/205179058.db2.gz PAUNOIYPURAIQP-AWEZNQCLSA-N 1 0 391.309 4.204 50 0 GIAARO CCSc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cn1 ZINC000014951037 205180276 /nfs/dbraw/zinc/18/02/76/205180276.db2.gz AUYGRKMUALZSCT-QHCPKHFHSA-N 1 0 396.604 4.385 50 0 GIAARO Cc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014959246 205180841 /nfs/dbraw/zinc/18/08/41/205180841.db2.gz PLVBUWMPMYZDOS-DEOSSOPVSA-N 1 0 378.564 4.397 50 0 GIAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccc(OCc2ccc(F)cc2)cc1 ZINC000061720466 205183430 /nfs/dbraw/zinc/18/34/30/205183430.db2.gz UPEDLYRJCFFGER-LADGPHEKSA-N 1 0 388.442 4.329 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968146 205202750 /nfs/dbraw/zinc/20/27/50/205202750.db2.gz OMMVONPRYSQHMU-GOSISDBHSA-N 1 0 391.515 4.217 50 0 GIAARO CC(C)[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1cc(F)ccc1F)N2 ZINC000065298633 205227513 /nfs/dbraw/zinc/22/75/13/205227513.db2.gz NIFQMJDGXGWVPC-OAQYLSRUSA-N 1 0 399.485 4.395 50 0 GIAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccccc3Br)cc2)CC1 ZINC000065365277 205231614 /nfs/dbraw/zinc/23/16/14/205231614.db2.gz AAKBQQLHILOXOU-UHFFFAOYSA-N 1 0 389.293 4.174 50 0 GIAARO Cc1noc(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000065424461 205234493 /nfs/dbraw/zinc/23/44/93/205234493.db2.gz RKULBUFROWKALY-FQEVSTJZSA-N 1 0 376.460 4.276 50 0 GIAARO Cc1ccsc1-c1c(-c2ccccc2)ncn1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000065502662 205235792 /nfs/dbraw/zinc/23/57/92/205235792.db2.gz UYZQXVZEHJOKPG-GOSISDBHSA-N 1 0 381.545 4.291 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(Br)cs1 ZINC000065591672 205238327 /nfs/dbraw/zinc/23/83/27/205238327.db2.gz HLIVLUTZQMXTKX-UHFFFAOYSA-N 1 0 379.323 4.036 50 0 GIAARO CCCC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000065592946 205240122 /nfs/dbraw/zinc/24/01/22/205240122.db2.gz HXVLFSQZFATZRJ-AWEZNQCLSA-N 1 0 399.398 4.310 50 0 GIAARO Cc1ccc(C2(O)CC[NH+](Cc3ccccc3OCc3ccccc3)CC2)nc1 ZINC000067654809 205252514 /nfs/dbraw/zinc/25/25/14/205252514.db2.gz HVIJIWREMXFDAW-UHFFFAOYSA-N 1 0 388.511 4.453 50 0 GIAARO Cn1cc(C[N@H+](C)CCn2ccnc2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000067817167 205262776 /nfs/dbraw/zinc/26/27/76/205262776.db2.gz KUZAXIGYKBVDHC-UHFFFAOYSA-N 1 0 377.536 4.463 50 0 GIAARO COc1ccc(-n2c(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)nc3ccccc32)cc1 ZINC000071813616 205298451 /nfs/dbraw/zinc/29/84/51/205298451.db2.gz AYSZDQWQKTUUIQ-QGZVFWFLSA-N 1 0 387.487 4.137 50 0 GIAARO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000071839121 205298513 /nfs/dbraw/zinc/29/85/13/205298513.db2.gz QZXGNYVLWIERFO-NRFANRHFSA-N 1 0 382.939 4.286 50 0 GIAARO CC1CC[NH+](CCCCNC(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000071827042 205299031 /nfs/dbraw/zinc/29/90/31/205299031.db2.gz CFZZLTDBWUMDAN-UHFFFAOYSA-N 1 0 384.545 4.221 50 0 GIAARO Cc1csc(N2CCC[N@H+](CCC(=O)Nc3cccc4ccccc43)CC2)n1 ZINC000071824899 205299343 /nfs/dbraw/zinc/29/93/43/205299343.db2.gz GYDNAJABQQYNDF-UHFFFAOYSA-N 1 0 394.544 4.146 50 0 GIAARO CCOc1ccc2cc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)[nH]c2c1 ZINC000069918818 205276780 /nfs/dbraw/zinc/27/67/80/205276780.db2.gz UWMIXDNGLKDDNW-UHFFFAOYSA-N 1 0 383.536 4.295 50 0 GIAARO O=C(c1cc2ccccc2[nH]1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072147893 205310456 /nfs/dbraw/zinc/31/04/56/205310456.db2.gz ASIAQOIZVHIRIH-WWPVKYPJSA-N 1 0 389.474 4.009 50 0 GIAARO CC(C)[C@@H]1CN(C(=O)c2cncc(Cl)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072148237 205311654 /nfs/dbraw/zinc/31/16/54/205311654.db2.gz FTODYURYYWRILL-FQEVSTJZSA-N 1 0 389.902 4.247 50 0 GIAARO COc1ccnc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)c1OC ZINC000072157452 205312727 /nfs/dbraw/zinc/31/27/27/205312727.db2.gz RBDYWHHZAKBSIE-HNNXBMFYSA-N 1 0 376.447 4.222 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000072429057 205350538 /nfs/dbraw/zinc/35/05/38/205350538.db2.gz BDBSOBCJGAGPCL-OAQYLSRUSA-N 1 0 375.516 4.355 50 0 GIAARO Cc1ccc(-n2cc(C[N@@H+](C)CC3(CO)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000072462814 205353313 /nfs/dbraw/zinc/35/33/13/205353313.db2.gz MPHYNDDYFRHESK-UHFFFAOYSA-N 1 0 379.479 4.191 50 0 GIAARO Cc1ncsc1C[NH+]1CCC2(CN(C[C@@H](C)c3ccccc3)C(=O)O2)CC1 ZINC000077340998 205358808 /nfs/dbraw/zinc/35/88/08/205358808.db2.gz BBWQNOAADJFWLY-MRXNPFEDSA-N 1 0 385.533 4.042 50 0 GIAARO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](CCc4cccs4)CC3)o2)cc1C ZINC000079102188 205381121 /nfs/dbraw/zinc/38/11/21/205381121.db2.gz KAIIQOLXTFDCEQ-SFHVURJKSA-N 1 0 396.560 4.336 50 0 GIAARO Cc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC000082099751 205386343 /nfs/dbraw/zinc/38/63/43/205386343.db2.gz BBOJVGYKQFKTJC-SFHVURJKSA-N 1 0 386.927 4.033 50 0 GIAARO COc1cc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCCC2)cc(OC)c1 ZINC000096363780 205563241 /nfs/dbraw/zinc/56/32/41/205563241.db2.gz IBXJXVJMSOXHIZ-UHFFFAOYSA-N 1 0 399.516 4.403 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(CCc3ccc(C)cc3)CC2)cc1 ZINC000012912595 205882281 /nfs/dbraw/zinc/88/22/81/205882281.db2.gz WEBCXVKWDBUCER-UHFFFAOYSA-N 1 0 393.531 4.237 50 0 GIAARO CCOc1c(Br)cc(C[NH2+]CCc2ccc(OC)cc2)cc1OC ZINC000022074643 205941260 /nfs/dbraw/zinc/94/12/60/205941260.db2.gz NZFLAVLEYXNFOY-UHFFFAOYSA-N 1 0 394.309 4.197 50 0 GIAARO COc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(c2ncon2)CC1 ZINC000215634750 205928387 /nfs/dbraw/zinc/92/83/87/205928387.db2.gz NBZRWVDFZOQFHP-UHFFFAOYSA-N 1 0 379.460 4.037 50 0 GIAARO CC1(C)C[C@]2(CCCN(CC[N@@H+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1 ZINC000248340952 206138380 /nfs/dbraw/zinc/13/83/80/206138380.db2.gz VOSHMDSOMREFNT-ZEQRLZLVSA-N 1 0 392.628 4.329 50 0 GIAARO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000240407376 206127674 /nfs/dbraw/zinc/12/76/74/206127674.db2.gz FLSPONGHQAOJIA-UHFFFAOYSA-N 1 0 388.556 4.401 50 0 GIAARO Cc1cccc2cc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c(Cl)nc12 ZINC000241707035 206127953 /nfs/dbraw/zinc/12/79/53/206127953.db2.gz QMDGUWPWJWLCNX-ICSRJNTNSA-N 1 0 379.891 4.372 50 0 GIAARO CN(Cc1cccc(C(F)(F)F)c1)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244734531 206130264 /nfs/dbraw/zinc/13/02/64/206130264.db2.gz NHGQCCDLGTWTQB-KOMQPUFPSA-N 1 0 376.426 4.214 50 0 GIAARO COCC[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000247915791 206135962 /nfs/dbraw/zinc/13/59/62/206135962.db2.gz ZIRHDCGHTILYPV-UHFFFAOYSA-N 1 0 391.302 4.036 50 0 GIAARO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c1C ZINC000247961370 206136524 /nfs/dbraw/zinc/13/65/24/206136524.db2.gz FGMIPAAFTKFLMS-SFHVURJKSA-N 1 0 376.504 4.041 50 0 GIAARO COc1ccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cc1 ZINC000299768088 206186723 /nfs/dbraw/zinc/18/67/23/206186723.db2.gz IRIGZAKTAQCVIE-HBMCJLEFSA-N 1 0 375.472 4.362 50 0 GIAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]Cc3cccnc3)CC2)c1 ZINC000299772703 206188477 /nfs/dbraw/zinc/18/84/77/206188477.db2.gz APBDLWSDGMHISY-UHFFFAOYSA-N 1 0 392.547 4.359 50 0 GIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)N1CC(OCc2ccccc2)C1 ZINC000299780577 206189504 /nfs/dbraw/zinc/18/95/04/206189504.db2.gz QOEGYXGDHZBWDY-UHFFFAOYSA-N 1 0 379.504 4.105 50 0 GIAARO Cc1cc(-c2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)c2)nc2cc(F)ccc12 ZINC000299780727 206190721 /nfs/dbraw/zinc/19/07/21/206190721.db2.gz BHHSGZIAJBBFPM-LJQANCHMSA-N 1 0 377.463 4.125 50 0 GIAARO Cc1nc(C(=O)N(Cc2cccc(OCC[C@H]3CCC[N@H+]3C)c2)C2CC2)cs1 ZINC000299788698 206190760 /nfs/dbraw/zinc/19/07/60/206190760.db2.gz ZOBOGWOAHYTONH-GOSISDBHSA-N 1 0 399.560 4.119 50 0 GIAARO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc2ccccc21 ZINC000040155917 132401638 /nfs/dbraw/zinc/40/16/38/132401638.db2.gz NVTPOVDPJMGRRJ-UHFFFAOYSA-N 1 0 387.527 4.172 50 0 GIAARO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1cccc2ccccc21 ZINC000058149078 136154467 /nfs/dbraw/zinc/15/44/67/136154467.db2.gz WADLDKNDXLMFOI-MRXNPFEDSA-N 1 0 387.483 4.254 50 0 GIAARO Oc1cccc(C[N@@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)c1 ZINC000072423263 136169804 /nfs/dbraw/zinc/16/98/04/136169804.db2.gz GMPWQHYMHLIPDK-UHFFFAOYSA-N 1 0 391.437 4.441 50 0 GIAARO Cc1cccc(N2CCC([NH2+][C@H]3CCCCN(Cc4cccnc4)C3)CC2)c1 ZINC000082148471 136174119 /nfs/dbraw/zinc/17/41/19/136174119.db2.gz HKUCNVFWBASINY-QHCPKHFHSA-N 1 0 378.564 4.003 50 0 GIAARO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc([S@@](C)=O)cc1 ZINC000095968497 136182915 /nfs/dbraw/zinc/18/29/15/136182915.db2.gz UMXGKTPFBJNJAC-XMJUDYLUSA-N 1 0 376.953 4.397 50 0 GIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2cccnc2)c1 ZINC000065436163 222130170 /nfs/dbraw/zinc/13/01/70/222130170.db2.gz VNGRHPWCIMHPNF-HXUWFJFHSA-N 1 0 376.460 4.276 50 0 GIAARO CC(C)[NH+]1CCN(CCn2cnc(-c3ccccc3)c2-c2ccsc2)CC1 ZINC000065454464 222130545 /nfs/dbraw/zinc/13/05/45/222130545.db2.gz OFHDTIKKTKKRAI-UHFFFAOYSA-N 1 0 380.561 4.305 50 0 GIAARO CC[NH+]1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 ZINC000072475982 222264838 /nfs/dbraw/zinc/26/48/38/222264838.db2.gz AWCWBDVZKJMSBP-UHFFFAOYSA-N 1 0 378.495 4.124 50 0 GIAARO O=C(NC[C@@H]1CCOC1)c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000426513797 534597807 /nfs/dbraw/zinc/59/78/07/534597807.db2.gz YQFSZNZIRDAAKW-FQEVSTJZSA-N 1 0 378.516 4.106 50 0 GIAARO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000241515637 528543476 /nfs/dbraw/zinc/54/34/76/528543476.db2.gz OGRKSUSQAHHCPV-RTBURBONSA-N 1 0 382.552 4.198 50 0 GIAARO CCn1c2ccccc2n(C2=C(CO)C[N@H+](CC3CCCCCCC3)CC2)c1=O ZINC000013831225 560220666 /nfs/dbraw/zinc/22/06/66/560220666.db2.gz DCRGHMJXEBSRQG-UHFFFAOYSA-N 1 0 397.563 4.093 50 0 in-vitro GIAARO Cc1cccnc1[C@@H](C)[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000096164316 570217954 /nfs/dbraw/zinc/21/79/54/570217954.db2.gz UEEUVIMYAHRNJF-MRXNPFEDSA-N 1 0 379.533 4.228 50 0 GIAARO COc1cccc(C(=O)N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000000783026 570223335 /nfs/dbraw/zinc/22/33/35/570223335.db2.gz TZAZCMGWDDJOPF-UHFFFAOYSA-N 1 0 378.516 4.179 50 0 GIAARO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048255069 570224147 /nfs/dbraw/zinc/22/41/47/570224147.db2.gz BJNNEJNMKJNPJS-IAGOWNOFSA-N 1 0 388.556 4.079 50 0 GIAARO Cc1ccc(NC(=O)NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c(C)c1 ZINC000048299340 570233679 /nfs/dbraw/zinc/23/36/79/570233679.db2.gz NYTFVYODRAJSJU-OAQYLSRUSA-N 1 0 377.488 4.103 50 0 GIAARO Cc1[nH]c2c(cccc2F)c1CC(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000097446850 570243731 /nfs/dbraw/zinc/24/37/31/570243731.db2.gz BUJTUFQNCKFAOX-HNNXBMFYSA-N 1 0 385.508 4.000 50 0 GIAARO FC(F)(F)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)c1 ZINC000020540829 570266652 /nfs/dbraw/zinc/26/66/52/570266652.db2.gz QPSCAMWDJWRAMJ-CQSZACIVSA-N 1 0 375.398 4.198 50 0 GIAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000020599546 570269686 /nfs/dbraw/zinc/26/96/86/570269686.db2.gz DCCXCQVSFYYOAC-AWEZNQCLSA-N 1 0 389.508 4.449 50 0 GIAARO C[C@@H]([NH2+]CCOc1ccccc1F)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000049581025 570271189 /nfs/dbraw/zinc/27/11/89/570271189.db2.gz MWQVNSHAABSQOF-GOSISDBHSA-N 1 0 392.474 4.088 50 0 GIAARO Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000000625017 570277413 /nfs/dbraw/zinc/27/74/13/570277413.db2.gz ZZXLBDXDFRJWRC-UHFFFAOYSA-N 1 0 399.907 4.147 50 0 GIAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862333 570278933 /nfs/dbraw/zinc/27/89/33/570278933.db2.gz ZDKNXUACERUYLG-UHFFFAOYSA-N 1 0 380.488 4.266 50 0 GIAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020906700 570284221 /nfs/dbraw/zinc/28/42/21/570284221.db2.gz NMZQGWYQYPCJQK-NRFANRHFSA-N 1 0 392.572 4.344 50 0 GIAARO CCCOc1c(Br)cc(C[NH2+]Cc2cccnc2)cc1OCC ZINC000020932330 570285290 /nfs/dbraw/zinc/28/52/90/570285290.db2.gz YSQBYSPMHGUMCC-UHFFFAOYSA-N 1 0 379.298 4.321 50 0 GIAARO Cc1ccc(C)c(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000012896869 570286912 /nfs/dbraw/zinc/28/69/12/570286912.db2.gz FBBHZKXZZJOGJE-UHFFFAOYSA-N 1 0 380.488 4.415 50 0 GIAARO CCCOc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020929293 570288344 /nfs/dbraw/zinc/28/83/44/570288344.db2.gz DMTMIGJYECPGOS-UHFFFAOYSA-N 1 0 378.266 4.256 50 0 GIAARO CNC(=O)[C@H]1CC[N@H+](Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000215418474 570288690 /nfs/dbraw/zinc/28/86/90/570288690.db2.gz JTPJTZNARPFZIF-HNNXBMFYSA-N 1 0 378.394 4.066 50 0 GIAARO Cc1ccc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(F)c1 ZINC000012915609 570293045 /nfs/dbraw/zinc/29/30/45/570293045.db2.gz VEHMACYNCBYDRG-UHFFFAOYSA-N 1 0 384.451 4.246 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCC2)cc1 ZINC000021805546 570296657 /nfs/dbraw/zinc/29/66/57/570296657.db2.gz MICKNMLAWFBBIN-GOSISDBHSA-N 1 0 381.501 4.278 50 0 GIAARO CC[C@H](C)NC(=O)c1cccc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)c1 ZINC000034684968 570301803 /nfs/dbraw/zinc/30/18/03/570301803.db2.gz BQZTZGNOSJEZCA-IBGZPJMESA-N 1 0 392.543 4.338 50 0 GIAARO CN(C)[C@H](C[NH2+]CC(=O)N1c2ccccc2Sc2ccccc21)c1ccco1 ZINC000022039554 570303131 /nfs/dbraw/zinc/30/31/31/570303131.db2.gz MQWWIEMTPUNDMJ-GOSISDBHSA-N 1 0 393.512 4.301 50 0 GIAARO CCCCCCOc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000022078460 570305277 /nfs/dbraw/zinc/30/52/77/570305277.db2.gz SKOSAPNRLHQYCV-RTWAWAEBSA-N 1 0 380.532 4.427 50 0 GIAARO CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(CCc3ccc(C)cc3)CC2)c1 ZINC000012332483 570318949 /nfs/dbraw/zinc/31/89/49/570318949.db2.gz XPJSURLITQSFDD-UHFFFAOYSA-N 1 0 393.531 4.237 50 0 GIAARO CC(C)N1CC[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249601542 570319565 /nfs/dbraw/zinc/31/95/65/570319565.db2.gz OKPAGAZJCKTTAH-RTBURBONSA-N 1 0 393.938 4.139 50 0 GIAARO Cc1cnccc1C[N@H+](C)Cc1ccc(-c2nc(C(C)(C)C)cc(=O)[nH]2)cc1 ZINC000023367313 570321603 /nfs/dbraw/zinc/32/16/03/570321603.db2.gz BFKWDGMURRETNA-UHFFFAOYSA-N 1 0 376.504 4.070 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)CCc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000022700962 570325039 /nfs/dbraw/zinc/32/50/39/570325039.db2.gz YQVGADGXCURRMD-OAQYLSRUSA-N 1 0 388.939 4.481 50 0 GIAARO CCOc1cccc(C[NH2+]CCOc2ccccn2)c1OCc1ccccc1 ZINC000113396121 570330899 /nfs/dbraw/zinc/33/08/99/570330899.db2.gz YVCMKEBRXDNGAQ-UHFFFAOYSA-N 1 0 378.472 4.228 50 0 GIAARO COc1cc(C[NH2+]CCOc2ccccn2)ccc1OCc1cccc(Cl)c1 ZINC000113395839 570330926 /nfs/dbraw/zinc/33/09/26/570330926.db2.gz UJAXXJQWIBBHIU-UHFFFAOYSA-N 1 0 398.890 4.491 50 0 GIAARO COc1cccc(C[NH2+]CCOc2ccccn2)c1OCc1cccc(C)c1 ZINC000113395467 570331022 /nfs/dbraw/zinc/33/10/22/570331022.db2.gz IBUYLBGKYWIWIP-UHFFFAOYSA-N 1 0 378.472 4.146 50 0 GIAARO C[C@H](O)c1cc(Cl)ccc1Sc1ccccc1CN1CC[NH+](C)CC1 ZINC000022862846 570331836 /nfs/dbraw/zinc/33/18/36/570331836.db2.gz HLFMMWPCGGOWJR-HNNXBMFYSA-N 1 0 376.953 4.292 50 0 GIAARO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccnn1C(C)C ZINC000022912516 570333635 /nfs/dbraw/zinc/33/36/35/570333635.db2.gz BWGCPTIZXZGWLY-QHCPKHFHSA-N 1 0 391.563 4.236 50 0 GIAARO COc1ccccc1C[N@@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000022913321 570334161 /nfs/dbraw/zinc/33/41/61/570334161.db2.gz AHVXUAHKPLIGIQ-QFIPXVFZSA-N 1 0 399.966 4.135 50 0 GIAARO CCOc1ccc([C@H](c2c(O)cc(C)n(CC)c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000024022935 570342561 /nfs/dbraw/zinc/34/25/61/570342561.db2.gz GPYUHONIRWSMSG-JOCHJYFZSA-N 1 0 384.520 4.102 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000023134220 570346161 /nfs/dbraw/zinc/34/61/61/570346161.db2.gz XKYYKBSSVXOMIG-UHFFFAOYSA-N 1 0 385.511 4.287 50 0 GIAARO Cc1cccc2oc(C[NH2+]C3CCN(c4cccc(-n5cccn5)c4)CC3)nc21 ZINC000023159064 570347356 /nfs/dbraw/zinc/34/73/56/570347356.db2.gz BHKBPJRDKAVNQO-UHFFFAOYSA-N 1 0 387.487 4.081 50 0 GIAARO CCN(Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000023338811 570355217 /nfs/dbraw/zinc/35/52/17/570355217.db2.gz AOZNBJXTGOFGOA-FQEVSTJZSA-N 1 0 394.538 4.479 50 0 GIAARO FC(F)Oc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000022786186 570377138 /nfs/dbraw/zinc/37/71/38/570377138.db2.gz HJXKCGBEZZREMT-UHFFFAOYSA-N 1 0 386.192 4.069 50 0 GIAARO CCCc1nn2c(nc(C[N@@H+](Cc3ccc(C)cc3)CC(C)C)cc2=O)s1 ZINC000035509806 570382399 /nfs/dbraw/zinc/38/23/99/570382399.db2.gz HCAZCFFEYAYXDT-UHFFFAOYSA-N 1 0 384.549 4.070 50 0 GIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccccc2F)cc1 ZINC000024445274 570383887 /nfs/dbraw/zinc/38/38/87/570383887.db2.gz WQRAYYMQUBVLHL-UHFFFAOYSA-N 1 0 398.503 4.033 50 0 GIAARO C[NH+](C)[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000004700984 570394991 /nfs/dbraw/zinc/39/49/91/570394991.db2.gz IRVQBVBJMQSBCO-VQTJNVASSA-N 1 0 386.904 4.129 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cccc3ncccc32)[NH+]2CCCCC2)cc1 ZINC000024969597 570400240 /nfs/dbraw/zinc/40/02/40/570400240.db2.gz SYEVKIISWQNIJY-QHCPKHFHSA-N 1 0 389.499 4.200 50 0 GIAARO CC(C)C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068903 570400943 /nfs/dbraw/zinc/40/09/43/570400943.db2.gz OIJKDUOXCQACID-UHFFFAOYSA-N 1 0 399.535 4.432 50 0 GIAARO O[C@]1(c2ccccc2)CN2CCCCCC2=[N+]1c1cccc(C(F)(F)F)c1 ZINC000001744524 570419619 /nfs/dbraw/zinc/41/96/19/570419619.db2.gz GPZJRZQUERQXAV-FQEVSTJZSA-N 1 0 375.414 4.356 50 0 GIAARO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000026316323 570424258 /nfs/dbraw/zinc/42/42/58/570424258.db2.gz ZACRWVSCNZTRDW-CYBMUJFWSA-N 1 0 377.868 4.369 50 0 GIAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000026311085 570424490 /nfs/dbraw/zinc/42/44/90/570424490.db2.gz ZZPZSKRKLLWBOB-OAHLLOKOSA-N 1 0 380.941 4.221 50 0 GIAARO CCOC(=O)c1c(NC(=O)CC[NH+]2CCC(C)CC2)sc2c1CCCCC2 ZINC000001801777 570425756 /nfs/dbraw/zinc/42/57/56/570425756.db2.gz MYYREYNATUCYBC-UHFFFAOYSA-N 1 0 392.565 4.254 50 0 GIAARO O[C@](c1ccccc1)(c1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000026568993 570426894 /nfs/dbraw/zinc/42/68/94/570426894.db2.gz HLARMCFCXXGSBI-DNQXCXABSA-N 1 0 377.459 4.135 50 0 GIAARO COc1cccc([C@H](CNC(=O)c2ccc(Cl)cc2F)[NH+]2CCCC2)c1 ZINC000027343135 570433321 /nfs/dbraw/zinc/43/33/21/570433321.db2.gz VZMYTLQLRSGAOX-IBGZPJMESA-N 1 0 376.859 4.055 50 0 GIAARO COc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc1 ZINC000027582915 570436814 /nfs/dbraw/zinc/43/68/14/570436814.db2.gz CUKYWQWEDBJTFN-JOCHJYFZSA-N 1 0 382.504 4.051 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584437 570436872 /nfs/dbraw/zinc/43/68/72/570436872.db2.gz CLSUSAIESXQVJD-JOCHJYFZSA-N 1 0 384.495 4.246 50 0 GIAARO CCCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000027746398 570441585 /nfs/dbraw/zinc/44/15/85/570441585.db2.gz NLDSDEMJHUYQRP-JOCHJYFZSA-N 1 0 382.504 4.051 50 0 GIAARO CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000027747108 570441701 /nfs/dbraw/zinc/44/17/01/570441701.db2.gz VWEMGBSMRUKBEL-QHCPKHFHSA-N 1 0 396.531 4.441 50 0 GIAARO CC[C@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(C)cc1 ZINC000248152094 570444859 /nfs/dbraw/zinc/44/48/59/570444859.db2.gz KFGFQGSULJITOG-SFTDATJTSA-N 1 0 394.515 4.171 50 0 GIAARO CCCCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000027989175 570447912 /nfs/dbraw/zinc/44/79/12/570447912.db2.gz SXRKDAYEKBITOH-HSZRJFAPSA-N 1 0 396.531 4.441 50 0 GIAARO CC[NH+]1CCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000028287214 570454222 /nfs/dbraw/zinc/45/42/22/570454222.db2.gz JGLAMUPDVGKNKS-UHFFFAOYSA-N 1 0 385.471 4.094 50 0 GIAARO CC1CC[NH+]([C@H](CNC(=O)COc2ccccc2Cl)c2cccs2)CC1 ZINC000028291537 570455934 /nfs/dbraw/zinc/45/59/34/570455934.db2.gz ZMAGLUQBSMOOES-QGZVFWFLSA-N 1 0 392.952 4.370 50 0 GIAARO Cc1ccc2oc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028292272 570456659 /nfs/dbraw/zinc/45/66/59/570456659.db2.gz GEPIKBDPNVURRU-FQEVSTJZSA-N 1 0 390.483 4.058 50 0 GIAARO Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2ccnc2)c1 ZINC000026309192 570458553 /nfs/dbraw/zinc/45/85/53/570458553.db2.gz AGQJJOZWNJXBDQ-UHFFFAOYSA-N 1 0 377.879 4.179 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1nc(-c2ccccc2)oc1C)c1ccccc1 ZINC000029165718 570470023 /nfs/dbraw/zinc/47/00/23/570470023.db2.gz SDRPDQMCGPADSM-HXUWFJFHSA-N 1 0 377.488 4.463 50 0 GIAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccccc1F)CC2 ZINC000006576871 570481024 /nfs/dbraw/zinc/48/10/24/570481024.db2.gz QYCGHCGVHINPBT-NMNUPHIUSA-N 1 0 383.463 4.423 50 0 GIAARO Cn1c(CC[NH2+]Cc2ccccc2OCc2ccccn2)nc2ccc(F)cc21 ZINC000072289943 570482902 /nfs/dbraw/zinc/48/29/02/570482902.db2.gz KYJDYWHUTMGNGZ-UHFFFAOYSA-N 1 0 390.462 4.019 50 0 GIAARO CCC[C@H](C)[N@H+](C)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000030270052 570487979 /nfs/dbraw/zinc/48/79/79/570487979.db2.gz MUZMYGSRQOFRMN-KRWDZBQOSA-N 1 0 384.520 4.030 50 0 GIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(OCc3ccccn3)c2)c1 ZINC000030630150 570492758 /nfs/dbraw/zinc/49/27/58/570492758.db2.gz FAZHWXVIGPBPDJ-KRWDZBQOSA-N 1 0 375.472 4.470 50 0 GIAARO COc1cccc(NC(=O)[C@H](C)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000089573886 570494286 /nfs/dbraw/zinc/49/42/86/570494286.db2.gz JWQWJMCHZPPAIS-INIZCTEOSA-N 1 0 375.472 4.293 50 0 GIAARO CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004247807 570496579 /nfs/dbraw/zinc/49/65/79/570496579.db2.gz LXTIDASGXSROMI-UHFFFAOYSA-N 1 0 396.597 4.105 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000002622259 570500906 /nfs/dbraw/zinc/50/09/06/570500906.db2.gz ZRGMCTPECHIJNZ-UHFFFAOYSA-N 1 0 378.303 4.388 50 0 GIAARO CC[N@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C[C@@H](O)c1ccc(C)cc1 ZINC000072305237 570518637 /nfs/dbraw/zinc/51/86/37/570518637.db2.gz RAHCGKLARGBIHS-OAQYLSRUSA-N 1 0 397.494 4.481 50 0 GIAARO CCOc1cc(C[N@@H+]2CCCCC[C@H]2c2cccc(C)c2)ccc1OCC(N)=O ZINC000033087225 570519880 /nfs/dbraw/zinc/51/98/80/570519880.db2.gz NEZQCRZNZGYCOQ-NRFANRHFSA-N 1 0 396.531 4.375 50 0 GIAARO O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000072305843 570520979 /nfs/dbraw/zinc/52/09/79/570520979.db2.gz DVLLVEQEXJXIQL-UHFFFAOYSA-N 1 0 393.409 4.306 50 0 GIAARO COc1cc(OC)c(NC(=O)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000072306875 570524379 /nfs/dbraw/zinc/52/43/79/570524379.db2.gz NFXGOFXZLAJTCD-INIZCTEOSA-N 1 0 388.895 4.208 50 0 GIAARO CCO[C@@H](C)c1nc(C)c(C(=O)O[C@@H](CC[NH+](C)C)c2cccs2)s1 ZINC000072310682 570536786 /nfs/dbraw/zinc/53/67/86/570536786.db2.gz TWJWBXDPMGUFDZ-KBPBESRZSA-N 1 0 382.551 4.460 50 0 GIAARO CCc1sc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1C ZINC000032970925 570555455 /nfs/dbraw/zinc/55/54/55/570555455.db2.gz PDCKYNNERBPPAM-UHFFFAOYSA-N 1 0 377.941 4.276 50 0 GIAARO COc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)c1 ZINC000022907783 570564075 /nfs/dbraw/zinc/56/40/75/570564075.db2.gz BQEHBUXVVNEIKU-NRFANRHFSA-N 1 0 392.524 4.286 50 0 GIAARO COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022907683 570564169 /nfs/dbraw/zinc/56/41/69/570564169.db2.gz FWHGATVURKZBNL-OAQYLSRUSA-N 1 0 392.524 4.286 50 0 GIAARO COc1cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc(OC)c1 ZINC000012056998 570602566 /nfs/dbraw/zinc/60/25/66/570602566.db2.gz KEDWTXLEXHLAAY-CYBMUJFWSA-N 1 0 387.430 4.327 50 0 GIAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCCc4ccccc4)C3)C2=O)c1 ZINC000012442697 570665153 /nfs/dbraw/zinc/66/51/53/570665153.db2.gz SWHUJPGPJGWSSR-VWLOTQADSA-N 1 0 392.543 4.143 50 0 GIAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCCCC1 ZINC000012449286 570667729 /nfs/dbraw/zinc/66/77/29/570667729.db2.gz RQDTWMXPHHNNRB-UHFFFAOYSA-N 1 0 393.531 4.141 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)cc1F ZINC000012454523 570668723 /nfs/dbraw/zinc/66/87/23/570668723.db2.gz LZLKWANURAMYFG-LJQANCHMSA-N 1 0 393.462 4.115 50 0 GIAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O ZINC000012456007 570669260 /nfs/dbraw/zinc/66/92/60/570669260.db2.gz FDHFUWIKZYYPHC-OAQYLSRUSA-N 1 0 379.479 4.348 50 0 GIAARO CO[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012467500 570671791 /nfs/dbraw/zinc/67/17/91/570671791.db2.gz CIQSNWYSWOLVKR-JOCHJYFZSA-N 1 0 377.488 4.490 50 0 GIAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1ccc2nc(C3CC3)oc2c1 ZINC000012576499 570682272 /nfs/dbraw/zinc/68/22/72/570682272.db2.gz VBDADNWEWCTTBT-HXUWFJFHSA-N 1 0 393.462 4.411 50 0 GIAARO COc1ccccc1/C=C/C[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012575202 570682540 /nfs/dbraw/zinc/68/25/40/570682540.db2.gz IBLHJJFVARHHAD-VQHVLOKHSA-N 1 0 381.516 4.252 50 0 GIAARO Cc1c2cccc(C)c2oc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000155411265 570686401 /nfs/dbraw/zinc/68/64/01/570686401.db2.gz SFBGHIVLOIVRPC-QGZVFWFLSA-N 1 0 377.488 4.400 50 0 GIAARO CCc1ocnc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012595897 570688972 /nfs/dbraw/zinc/68/89/72/570688972.db2.gz QJUMUDZYGJUOIR-XMMPIXPASA-N 1 0 395.547 4.489 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)CCSC)CC1 ZINC000012708143 570700965 /nfs/dbraw/zinc/70/09/65/570700965.db2.gz BMMJPDXLKMORHJ-UHFFFAOYSA-N 1 0 392.609 4.145 50 0 GIAARO COc1ccc(C[NH2+]Cc2cc(C)n(-c3ccnn3C(C)C)c2C)cc1OC ZINC000017310787 570704015 /nfs/dbraw/zinc/70/40/15/570704015.db2.gz VFMSKPBJAVRHEZ-UHFFFAOYSA-N 1 0 382.508 4.179 50 0 GIAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccccc3CN3CCOCC3)o2)cc1 ZINC000017318128 570704491 /nfs/dbraw/zinc/70/44/91/570704491.db2.gz XNJKXWYHMQLXNN-UHFFFAOYSA-N 1 0 380.463 4.208 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)c1cc2c(s1)CC[C@H](C)C2)[NH+]1CCCC1 ZINC000032688917 570740681 /nfs/dbraw/zinc/74/06/81/570740681.db2.gz RYUDAEZDJXKODK-LPHOPBHVSA-N 1 0 398.572 4.448 50 0 GIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000013027207 570742240 /nfs/dbraw/zinc/74/22/40/570742240.db2.gz DWHKJPIEOSOJIE-QFIPXVFZSA-N 1 0 392.466 4.136 50 0 GIAARO c1ccc(-n2nnnc2Oc2cccc(C[NH2+]CCC3=CCCCC3)c2)cc1 ZINC000013717773 570779721 /nfs/dbraw/zinc/77/97/21/570779721.db2.gz MAAOXOSEYVQNLD-UHFFFAOYSA-N 1 0 375.476 4.435 50 0 GIAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccc(C)cc1 ZINC000013727961 570782151 /nfs/dbraw/zinc/78/21/51/570782151.db2.gz RZYPLRHVLSHITQ-UHFFFAOYSA-N 1 0 396.531 4.075 50 0 GIAARO CCCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OCC)c1 ZINC000013729609 570782779 /nfs/dbraw/zinc/78/27/79/570782779.db2.gz BCMJXPHIKIWWPQ-UHFFFAOYSA-N 1 0 381.480 4.133 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000032763310 570800800 /nfs/dbraw/zinc/80/08/00/570800800.db2.gz QNJVOPIZZLKBEX-HNNXBMFYSA-N 1 0 384.423 4.214 50 0 GIAARO COc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)c2cccs2)c2ccccc2)cc1 ZINC000014124192 570824094 /nfs/dbraw/zinc/82/40/94/570824094.db2.gz NJRKIGIZDVTOMY-AOMKIAJQSA-N 1 0 380.513 4.313 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000014141792 570825332 /nfs/dbraw/zinc/82/53/32/570825332.db2.gz ZTDVDRCPEKJUFY-UHFFFAOYSA-N 1 0 394.563 4.408 50 0 GIAARO Cc1cc(C[NH+]2CCC(CNC(=O)Nc3c(F)cccc3F)CC2)c(C)o1 ZINC000043973027 570847991 /nfs/dbraw/zinc/84/79/91/570847991.db2.gz UYTKKRIMUZYNED-UHFFFAOYSA-N 1 0 377.435 4.208 50 0 GIAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]C1CCCCCCC1)C2 ZINC000014732738 570857916 /nfs/dbraw/zinc/85/79/16/570857916.db2.gz BAYUNIFKHPIGDM-IBGZPJMESA-N 1 0 386.584 4.089 50 0 GIAARO O=C(NCc1cccc(C(F)(F)F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032862464 570861328 /nfs/dbraw/zinc/86/13/28/570861328.db2.gz VRPKKRHOMRBRKB-UHFFFAOYSA-N 1 0 391.437 4.169 50 0 GIAARO O=C(NCc1cccc(C(F)(F)F)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000032863216 570861366 /nfs/dbraw/zinc/86/13/66/570861366.db2.gz ZRYAULANZKYOMZ-UHFFFAOYSA-N 1 0 391.437 4.301 50 0 GIAARO Cc1ccccc1C[NH+]1CCC2(C[C@@H]2C(=O)NCCCc2ccccc2)CC1 ZINC000014886427 570863894 /nfs/dbraw/zinc/86/38/94/570863894.db2.gz DVJZKQADKVZEMO-HSZRJFAPSA-N 1 0 376.544 4.346 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccccc1F ZINC000032870760 570864327 /nfs/dbraw/zinc/86/43/27/570864327.db2.gz ADJOOLGPVDNXOR-UHFFFAOYSA-N 1 0 380.467 4.089 50 0 GIAARO COc1cccc(C(=O)OC[C@]2(F)CC[N@@H+]([C@H](C)c3ccccc3)C2)c1F ZINC000170609308 570865471 /nfs/dbraw/zinc/86/54/71/570865471.db2.gz PJSHEHNARCVAOB-VFNWGFHPSA-N 1 0 375.415 4.166 50 0 GIAARO Cc1ccc(C[NH+]2CCC(c3nnc(SCc4ccncc4)n3C)CC2)s1 ZINC000014969239 570867300 /nfs/dbraw/zinc/86/73/00/570867300.db2.gz QJFGBWKGRQXLRB-UHFFFAOYSA-N 1 0 399.589 4.252 50 0 GIAARO CCN(Cc1cnn(C(C)C)c1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000014968650 570867308 /nfs/dbraw/zinc/86/73/08/570867308.db2.gz HYTXEDZJZZZLOV-QFIPXVFZSA-N 1 0 398.595 4.249 50 0 GIAARO CC(=O)c1cc(C[NH2+][C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cs1 ZINC000014974792 570867962 /nfs/dbraw/zinc/86/79/62/570867962.db2.gz SCUDUVUEJWQRRF-HNNXBMFYSA-N 1 0 383.439 4.123 50 0 GIAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCc1cccs1 ZINC000014981745 570869869 /nfs/dbraw/zinc/86/98/69/570869869.db2.gz GIHWVGZAJNOIHF-QGZVFWFLSA-N 1 0 396.478 4.480 50 0 GIAARO O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1CC1(c2ccccc2)CCCC1 ZINC000014990127 570870271 /nfs/dbraw/zinc/87/02/71/570870271.db2.gz SFCIQUKMDZUFDD-JOCHJYFZSA-N 1 0 377.532 4.064 50 0 GIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1C ZINC000015005276 570870778 /nfs/dbraw/zinc/87/07/78/570870778.db2.gz JVZLQFYVGDWTFX-SFHVURJKSA-N 1 0 381.499 4.429 50 0 GIAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCOc3ccccc3F)c2cc1Cl ZINC000015046094 570874038 /nfs/dbraw/zinc/87/40/38/570874038.db2.gz RDELFAATDBTJDM-UHFFFAOYSA-N 1 0 375.827 4.405 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000015075268 570878423 /nfs/dbraw/zinc/87/84/23/570878423.db2.gz VBNKDDQLWLMCBH-KRWDZBQOSA-N 1 0 376.422 4.442 50 0 GIAARO Cc1nn(C)c(Cl)c1CN(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000015077593 570878961 /nfs/dbraw/zinc/87/89/61/570878961.db2.gz LBWIIVWYABDMKL-IBGZPJMESA-N 1 0 388.987 4.077 50 0 GIAARO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310034 570888526 /nfs/dbraw/zinc/88/85/26/570888526.db2.gz FSTOVRGKPUKROV-HXUWFJFHSA-N 1 0 381.472 4.266 50 0 GIAARO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000032900883 570897062 /nfs/dbraw/zinc/89/70/62/570897062.db2.gz NJBGNLMYLNNDDC-OAQYLSRUSA-N 1 0 381.516 4.145 50 0 GIAARO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000032900882 570897143 /nfs/dbraw/zinc/89/71/43/570897143.db2.gz NJBGNLMYLNNDDC-NRFANRHFSA-N 1 0 381.516 4.145 50 0 GIAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)CCc2ccccc2)CC1 ZINC000015641759 570900256 /nfs/dbraw/zinc/90/02/56/570900256.db2.gz LMBFMSUZTHQGDE-UHFFFAOYSA-N 1 0 391.437 4.029 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+](C)C)cc1 ZINC000015859700 570906619 /nfs/dbraw/zinc/90/66/19/570906619.db2.gz CUAMMRPMOLHNEG-LJQANCHMSA-N 1 0 383.879 4.336 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000089901355 570918631 /nfs/dbraw/zinc/91/86/31/570918631.db2.gz HCXJNSDPMSJPMP-QHCPKHFHSA-N 1 0 394.540 4.012 50 0 GIAARO C[C@H](c1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1)[NH+]1CCOCC1 ZINC000534662697 570921920 /nfs/dbraw/zinc/92/19/20/570921920.db2.gz BZXBTAIRPILNIG-LJQANCHMSA-N 1 0 378.516 4.373 50 0 GIAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599301 570928275 /nfs/dbraw/zinc/92/82/75/570928275.db2.gz YNOHARVRHTXJIW-GUYCJALGSA-N 1 0 381.303 4.180 50 0 GIAARO CC[NH+]1CCN(c2cc(-c3nc(-c4ccccc4)no3)c3ccccc3n2)CC1 ZINC000033282519 570957747 /nfs/dbraw/zinc/95/77/47/570957747.db2.gz WGOXYQQVBGHJSW-UHFFFAOYSA-N 1 0 385.471 4.094 50 0 GIAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCC(F)(F)F)Cc2ccccc2C1 ZINC000019225918 570964109 /nfs/dbraw/zinc/96/41/09/570964109.db2.gz SIAPOYWFUZYSPM-UHFFFAOYSA-N 1 0 390.449 4.115 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000106573768 570965391 /nfs/dbraw/zinc/96/53/91/570965391.db2.gz HZDIRMRLWZSYKE-YJBOKZPZSA-N 1 0 379.932 4.117 50 0 GIAARO c1[nH]nc(-c2cccc3ccccc32)c1C[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 ZINC000019301041 570974086 /nfs/dbraw/zinc/97/40/86/570974086.db2.gz DQPCIYFAVCBZPN-SFHVURJKSA-N 1 0 398.514 4.026 50 0 GIAARO COc1ccc(Br)cc1CN1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000019359860 570979585 /nfs/dbraw/zinc/97/95/85/570979585.db2.gz ZKHVGRLKKHRXRK-CRAIPNDOSA-N 1 0 381.358 4.154 50 0 GIAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000170651647 570988752 /nfs/dbraw/zinc/98/87/52/570988752.db2.gz RPDJNMZKUUQRLV-UHFFFAOYSA-N 1 0 384.483 4.111 50 0 GIAARO O=C(NCCc1cccc2cccnc21)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045410987 570990836 /nfs/dbraw/zinc/99/08/36/570990836.db2.gz VMPZTGWIDQJBPO-UHFFFAOYSA-N 1 0 394.563 4.075 50 0 GIAARO Cc1cc(F)ccc1-n1ccc(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)n1 ZINC000252539483 570992797 /nfs/dbraw/zinc/99/27/97/570992797.db2.gz OCDRWKWLAHXFGL-UHFFFAOYSA-N 1 0 376.435 4.050 50 0 GIAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3C(F)(F)F)C2)CN1C1CC1 ZINC000091325569 571003419 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CSc1ccccc1C[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000092076993 571043984 /nfs/dbraw/zinc/04/39/84/571043984.db2.gz XLYUIADVNMBZRW-UHFFFAOYSA-N 1 0 395.572 4.208 50 0 GIAARO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095358121 571053448 /nfs/dbraw/zinc/05/34/48/571053448.db2.gz CVYKPTRIBKBOHZ-FTBPSBKWSA-N 1 0 390.527 4.094 50 0 GIAARO CC(C)c1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cn1 ZINC000095362494 571056632 /nfs/dbraw/zinc/05/66/32/571056632.db2.gz JLJBSTWVKJESEH-JTHBVZDNSA-N 1 0 378.564 4.129 50 0 GIAARO Cc1nn(-c2ccccc2)cc1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095392841 571073666 /nfs/dbraw/zinc/07/36/66/571073666.db2.gz GHYRUOFKDVENED-WIOPSUGQSA-N 1 0 386.543 4.277 50 0 GIAARO CCCSc1ccccc1NC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000095497417 571074410 /nfs/dbraw/zinc/07/44/10/571074410.db2.gz FAOZJXBMQMWUHD-UHFFFAOYSA-N 1 0 379.595 4.234 50 0 GIAARO CCN(C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)C1CC1 ZINC000095503467 571077558 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4.397 50 0 GIAARO COc1ccc([C@@H]2CN(C(=O)c3ccccc3Cl)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095522310 571087739 /nfs/dbraw/zinc/08/77/39/571087739.db2.gz VSJHQFLSAMOSJO-KSEOMHKRSA-N 1 0 396.918 4.051 50 0 GIAARO Cc1cc2cc(NC(=O)N(Cc3ccncc3)C3CC[NH+](C)CC3)ccc2o1 ZINC000095525502 571090595 /nfs/dbraw/zinc/09/05/95/571090595.db2.gz URRCIMYVVSGIEW-UHFFFAOYSA-N 1 0 378.476 4.265 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ncoc2C)CC1 ZINC000095528532 571091882 /nfs/dbraw/zinc/09/18/82/571091882.db2.gz PWYNAZAEKXILTE-UHFFFAOYSA-N 1 0 399.535 4.002 50 0 GIAARO CCCc1nc2oc3c(ncnc3NCC[NH+](CC)CC)c2c2c1CCCC2 ZINC000002438387 817389424 /nfs/dbraw/zinc/38/94/24/817389424.db2.gz FUZUDUZVWAXAOR-UHFFFAOYSA-N 1 0 381.524 4.356 50 0 GIAARO O=C(COc1ccc(Cl)cc1)OCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000002465867 817390770 /nfs/dbraw/zinc/39/07/70/817390770.db2.gz JZNDOCPWHFQRAL-UHFFFAOYSA-N 1 0 377.912 4.066 50 0 GIAARO CCOc1ccc(-c2cc(C(=O)NCC[NH+]3CCCC3)c3ccccc3n2)cc1 ZINC000003007992 817410698 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GIAARO CN(Cc1ccccn1)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821138 818123837 /nfs/dbraw/zinc/12/38/37/818123837.db2.gz OXTGAXYRXHUPOJ-IBGZPJMESA-N 1 0 391.481 4.487 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000011878351 818126466 /nfs/dbraw/zinc/12/64/66/818126466.db2.gz INMTUVSZISSIMV-LJQANCHMSA-N 1 0 399.510 4.253 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1Cc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O ZINC000011881072 818127068 /nfs/dbraw/zinc/12/70/68/818127068.db2.gz CYIUBLPVIJBTSP-MRXNPFEDSA-N 1 0 381.907 4.473 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccoc2)CC1 ZINC000011998981 818136203 /nfs/dbraw/zinc/13/62/03/818136203.db2.gz PZVXQFHTNUGXJH-QHCPKHFHSA-N 1 0 396.531 4.121 50 0 GIAARO O=C(CC[C@@H]1CCC[N@@H+](C2CCSCC2)C1)NCc1ccccc1Cl ZINC000012053618 818139057 /nfs/dbraw/zinc/13/90/57/818139057.db2.gz PGNPHTUDPKPYSW-INIZCTEOSA-N 1 0 380.985 4.344 50 0 GIAARO c1[nH]nc(C2CC[NH+](Cc3cccc4c3OCO4)CC2)c1Cc1ccccc1 ZINC000012151160 818144250 /nfs/dbraw/zinc/14/42/50/818144250.db2.gz OJOHFTNYNRWKAD-UHFFFAOYSA-N 1 0 375.472 4.109 50 0 GIAARO O=C(CCc1cccnc1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012195403 818146134 /nfs/dbraw/zinc/14/61/34/818146134.db2.gz UXEWVHJNBXLCII-DEOSSOPVSA-N 1 0 383.580 4.299 50 0 GIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1Cl ZINC000012373504 818155852 /nfs/dbraw/zinc/15/58/52/818155852.db2.gz PWGREUBXRYSVQG-INIZCTEOSA-N 1 0 387.911 4.375 50 0 GIAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4ccc(C)o4)CC3)cc2)n1 ZINC000012431313 818158671 /nfs/dbraw/zinc/15/86/71/818158671.db2.gz RLBMUPQAKWEGKR-UHFFFAOYSA-N 1 0 392.503 4.241 50 0 GIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012443274 818160190 /nfs/dbraw/zinc/16/01/90/818160190.db2.gz IJVDHCMNOXRKQS-XMMPIXPASA-N 1 0 375.516 4.080 50 0 GIAARO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](C4CCOCC4)C3)c2)c1 ZINC000012481720 818163886 /nfs/dbraw/zinc/16/38/86/818163886.db2.gz DRRAHXXLCDVRIH-NRFANRHFSA-N 1 0 378.516 4.492 50 0 GIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012575801 818167739 /nfs/dbraw/zinc/16/77/39/818167739.db2.gz WKQMVSYIXXUOOF-DEOSSOPVSA-N 1 0 389.499 4.086 50 0 GIAARO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000012866939 818191189 /nfs/dbraw/zinc/19/11/89/818191189.db2.gz JUVOJPIKDRDACF-SSEXOZHUSA-N 1 0 397.559 4.355 50 0 GIAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000013011133 818200730 /nfs/dbraw/zinc/20/07/30/818200730.db2.gz GBOSQSIKDGRGGO-MRXNPFEDSA-N 1 0 389.908 4.398 50 0 GIAARO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000014253319 818230498 /nfs/dbraw/zinc/23/04/98/818230498.db2.gz UYXJVLSXUHWNGJ-NSHDSACASA-N 1 0 383.275 4.127 50 0 GIAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1cccc(F)c1)C3 ZINC000014994074 818280658 /nfs/dbraw/zinc/28/06/58/818280658.db2.gz KCWDALKDAIOCLG-INIZCTEOSA-N 1 0 385.508 4.044 50 0 GIAARO O=C(NCCC1=CCCCC1)[C@@H]1CC12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014982775 818280701 /nfs/dbraw/zinc/28/07/01/818280701.db2.gz RYUCDRMPRRMZRE-QHCPKHFHSA-N 1 0 378.560 4.263 50 0 GIAARO COc1cccc(CN2CC[C@@H]([N@H+](C)[C@@H](C)c3nc(C)cs3)CCC2=O)c1 ZINC000015006931 818282306 /nfs/dbraw/zinc/28/23/06/818282306.db2.gz JPWWHLFNBDHYSB-WMZOPIPTSA-N 1 0 387.549 4.034 50 0 GIAARO CC(C)(CO)C[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000015079018 818288212 /nfs/dbraw/zinc/28/82/12/818288212.db2.gz LEUPWSSUYPMXIM-UHFFFAOYSA-N 1 0 384.495 4.162 50 0 GIAARO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccc3ncccc3c1)CC2)c1ccccn1 ZINC000020455311 818622315 /nfs/dbraw/zinc/62/23/15/818622315.db2.gz OBLLZMXGDVHQGV-UHFFFAOYSA-N 1 0 394.478 4.440 50 0 GIAARO O[C@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C2CCCCC2)CC1 ZINC000020789883 818631187 /nfs/dbraw/zinc/63/11/87/818631187.db2.gz WKPISNNUENYDRL-NRFANRHFSA-N 1 0 391.559 4.106 50 0 GIAARO Cc1cc(C)cc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000020927166 818640906 /nfs/dbraw/zinc/64/09/06/818640906.db2.gz BAKNLGFGYRYDFP-UHFFFAOYSA-N 1 0 394.544 4.465 50 0 GIAARO Cc1ccc(C)c(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000020927161 818640992 /nfs/dbraw/zinc/64/09/92/818640992.db2.gz KPZGUFCCZFTOJR-UHFFFAOYSA-N 1 0 394.544 4.465 50 0 GIAARO CC(C)Cn1cc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c2ccccc2c1=O ZINC000020941529 818642663 /nfs/dbraw/zinc/64/26/63/818642663.db2.gz PVJLPGTYRRBNBC-ROUUACIJSA-N 1 0 398.551 4.042 50 0 GIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000021366674 818680941 /nfs/dbraw/zinc/68/09/41/818680941.db2.gz YCWPULHQWGMOOU-UHFFFAOYSA-N 1 0 383.511 4.154 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1 ZINC000021718184 818729808 /nfs/dbraw/zinc/72/98/08/818729808.db2.gz KLQARVJMTITNPG-VCJNTOCTSA-N 1 0 387.612 4.355 50 0 GIAARO Cc1ccccc1NC1CC[NH+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000058168296 823366216 /nfs/dbraw/zinc/36/62/16/823366216.db2.gz XPSUKUQZZPBNHE-YHLJFGAHSA-N 1 0 395.591 4.345 50 0 GIAARO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4nc5ccccc5n4C)C3)C2)c1 ZINC000023312276 818922484 /nfs/dbraw/zinc/92/24/84/818922484.db2.gz XSHBJJRGKZCMLS-RUZDIDTESA-N 1 0 388.559 4.370 50 0 GIAARO C[NH+](C)CCNC(=O)C[C@@](C)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000031813887 820864567 /nfs/dbraw/zinc/86/45/67/820864567.db2.gz WNQXJWRFMJCWSY-GOSISDBHSA-N 1 0 384.467 4.141 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccsc1 ZINC000031986504 820884802 /nfs/dbraw/zinc/88/48/02/820884802.db2.gz VBWGYOBCALMJFK-MRXNPFEDSA-N 1 0 399.329 4.463 50 0 GIAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000038489599 821097157 /nfs/dbraw/zinc/09/71/57/821097157.db2.gz JNSANEGXCUUYMK-UHFFFAOYSA-N 1 0 381.398 4.332 50 0 GIAARO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C ZINC000040112337 821140189 /nfs/dbraw/zinc/14/01/89/821140189.db2.gz CKTRRDJIEJNBFF-OAHLLOKOSA-N 1 0 381.520 4.139 50 0 GIAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000177867623 823538777 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GIAARO Cc1c[nH+]c(C2CC2)n1CCC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000575559103 823977466 /nfs/dbraw/zinc/97/74/66/823977466.db2.gz MLEIKSLLVOAVGL-UHFFFAOYSA-N 1 0 376.504 4.493 50 0 GIAARO CCOc1ccccc1NC(=O)N1CC[C@H](Cn2c(C)c[nH+]c2C2CCC2)C1 ZINC000575560410 823977596 /nfs/dbraw/zinc/97/75/96/823977596.db2.gz WIRFLAUSBUZXLF-KRWDZBQOSA-N 1 0 382.508 4.412 50 0 GIAARO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1C(F)(F)F ZINC000241588507 231038514 /nfs/dbraw/zinc/03/85/14/231038514.db2.gz PDSZLINTMWCZLB-ROUUACIJSA-N 1 0 393.405 4.347 50 0 GIAARO COc1ccc(/C=C/C[N@@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)cc1 ZINC000426420569 231218124 /nfs/dbraw/zinc/21/81/24/231218124.db2.gz JHVSBCKEJWGWAU-FOZDMQAISA-N 1 0 394.515 4.194 50 0 GIAARO O=C(NC[C@@H]1CCCCO1)c1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000426386859 231211933 /nfs/dbraw/zinc/21/19/33/231211933.db2.gz FSSPYITVWUCVIT-QHCPKHFHSA-N 1 0 378.516 4.248 50 0 GIAARO COc1ccc(-c2coc3cc(OCC[NH+]4CCCCC4)ccc3c2=O)cc1 ZINC000006760179 203827569 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COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(I)c1OC ZINC000004857710 204083689 /nfs/dbraw/zinc/08/36/89/204083689.db2.gz RTRHYTOPLHZHEF-GFCCVEGCSA-N 1 0 397.256 4.159 50 0 GIAARO CCCCN(CC)C(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000004907960 204090157 /nfs/dbraw/zinc/09/01/57/204090157.db2.gz HXZYFUQPQOAXCW-UHFFFAOYSA-N 1 0 399.608 4.114 50 0 GIAARO COc1ccc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000004668296 204061826 /nfs/dbraw/zinc/06/18/26/204061826.db2.gz IUGRQQIVGOKHBN-OXJNMPFZSA-N 1 0 375.582 4.367 50 0 GIAARO CCOC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000004680684 204062767 /nfs/dbraw/zinc/06/27/67/204062767.db2.gz GKNBHXLKLJTUEX-UHFFFAOYSA-N 1 0 383.488 4.049 50 0 GIAARO Cc1cccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)c1C ZINC000004921968 204092597 /nfs/dbraw/zinc/09/25/97/204092597.db2.gz QKDGZQWUJXCRTK-UHFFFAOYSA-N 1 0 387.483 4.480 50 0 GIAARO CC1CC[NH+](C[C@H](O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000005043766 204106432 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0 GIAARO Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c1 ZINC000007543989 204241982 /nfs/dbraw/zinc/24/19/82/204241982.db2.gz MGYUGYRNIXTIBA-LJQANCHMSA-N 1 0 390.531 4.125 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cccnc1Sc1ccccc1)Cc1ccccc1 ZINC000007990903 204258534 /nfs/dbraw/zinc/25/85/34/204258534.db2.gz VGDCCKCXHKWXEV-IBGZPJMESA-N 1 0 391.540 4.136 50 0 GIAARO CC[C@@H](C)c1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC)c2)C(C)C)cc1 ZINC000007719246 204248040 /nfs/dbraw/zinc/24/80/40/204248040.db2.gz PSLBHARZHXDQPS-HXOBKFHXSA-N 1 0 395.547 4.485 50 0 GIAARO CCC(C)(C)C1CCC2(CC1)NC(=[NH2+])Nc1nc3cc4c(cc3n12)OCCCO4 ZINC000007738308 204249237 /nfs/dbraw/zinc/24/92/37/204249237.db2.gz SIAHLCNBHXYOFH-UHFFFAOYSA-N 1 0 397.523 4.026 50 0 GIAARO CCOC(=O)Nc1ccc2c(C[N@H+](C)Cc3ccc(F)cc3)cc(=O)oc2c1 ZINC000007786258 204251966 /nfs/dbraw/zinc/25/19/66/204251966.db2.gz GMSZLWZDMAQCSA-UHFFFAOYSA-N 1 0 384.407 4.133 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000007849904 204253333 /nfs/dbraw/zinc/25/33/33/204253333.db2.gz MBHCCMCYJIYWCL-UHFFFAOYSA-N 1 0 387.321 4.365 50 0 GIAARO COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)[NH+]=C3Nc4ccccc4N32)c1 ZINC000008997656 204296627 /nfs/dbraw/zinc/29/66/27/204296627.db2.gz URNXFPDVZQYHTA-FQEVSTJZSA-N 1 0 377.444 4.264 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000008254438 204267726 /nfs/dbraw/zinc/26/77/26/204267726.db2.gz XTLPRFGFNHAPNH-KRWDZBQOSA-N 1 0 384.520 4.230 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253960 204268507 /nfs/dbraw/zinc/26/85/07/204268507.db2.gz XTKOCDOTGAFRIK-ZDUSSCGKSA-N 1 0 384.303 4.442 50 0 GIAARO O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1c(F)cccc1F ZINC000008312969 204270663 /nfs/dbraw/zinc/27/06/63/204270663.db2.gz XHBLJYUONKXVKR-UHFFFAOYSA-N 1 0 387.455 4.393 50 0 GIAARO O=C(Nc1cccs1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000035598049 204274125 /nfs/dbraw/zinc/27/41/25/204274125.db2.gz IXHGEPKHMRZNHG-UHFFFAOYSA-N 1 0 393.516 4.109 50 0 GIAARO C[NH2+]CCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008376951 204274522 /nfs/dbraw/zinc/27/45/22/204274522.db2.gz JUFUXZBIXVGNHN-UHFFFAOYSA-N 1 0 383.319 4.280 50 0 GIAARO CCCC[N@H+](CC)CCNC(=O)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000009211390 204302617 /nfs/dbraw/zinc/30/26/17/204302617.db2.gz HDUBXSLLIQXABR-UHFFFAOYSA-N 1 0 378.607 4.453 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cc(C)n(C3CC3)c2C)[NH+]2CCCC2)cc1 ZINC000009496321 204312799 /nfs/dbraw/zinc/31/27/99/204312799.db2.gz VEVGCOIMHFZDLM-JOCHJYFZSA-N 1 0 381.520 4.015 50 0 GIAARO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCc2ccccc2C1 ZINC000009596613 204316662 /nfs/dbraw/zinc/31/66/62/204316662.db2.gz VGOCFRSBPZEJJK-UHFFFAOYSA-N 1 0 391.540 4.061 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000010214286 204332007 /nfs/dbraw/zinc/33/20/07/204332007.db2.gz ACUAHBVSYVAZND-NRFANRHFSA-N 1 0 391.515 4.439 50 0 GIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c(OC)c1 ZINC000011661358 204347657 /nfs/dbraw/zinc/34/76/57/204347657.db2.gz XYIRYCKJPBMOFI-IBGZPJMESA-N 1 0 390.483 4.347 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000011661881 204349038 /nfs/dbraw/zinc/34/90/38/204349038.db2.gz GMFWQGDXIXMZFM-UHFFFAOYSA-N 1 0 378.516 4.274 50 0 GIAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F)c1cnn(-c2ccccc2)c1 ZINC000011664245 204350280 /nfs/dbraw/zinc/35/02/80/204350280.db2.gz WLOYCHJRWBPMNG-CQSZACIVSA-N 1 0 379.414 4.391 50 0 GIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000011668244 204351694 /nfs/dbraw/zinc/35/16/94/204351694.db2.gz QYQZKAVGOPRUNM-SFHVURJKSA-N 1 0 378.501 4.056 50 0 GIAARO COc1ccc(C[NH+]2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000011753787 204353274 /nfs/dbraw/zinc/35/32/74/204353274.db2.gz KNIRKEAHQOQDFY-UHFFFAOYSA-N 1 0 380.532 4.346 50 0 GIAARO CN(C(=O)c1cc2ccccc2n1C)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011820502 204355261 /nfs/dbraw/zinc/35/52/61/204355261.db2.gz BKKSHHHCIVEWNU-QFIPXVFZSA-N 1 0 389.543 4.348 50 0 GIAARO c1cnn(CCCN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000011821327 204355538 /nfs/dbraw/zinc/35/55/38/204355538.db2.gz HZLIOGWZDDUZIM-HSZRJFAPSA-N 1 0 395.595 4.215 50 0 GIAARO O=C(c1ccc2[nH]cnc2c1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011819909 204356435 /nfs/dbraw/zinc/35/64/35/204356435.db2.gz FKBRQEJMMXZWPE-DEOSSOPVSA-N 1 0 394.563 4.461 50 0 GIAARO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3cccc4ccccc43)oc2C)CC1=O ZINC000011838911 204356595 /nfs/dbraw/zinc/35/65/95/204356595.db2.gz FDCFZCNOEWGEGY-KRWDZBQOSA-N 1 0 377.488 4.103 50 0 GIAARO CC(=O)N1CCC([NH2+][C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)CC1 ZINC000011840668 204357638 /nfs/dbraw/zinc/35/76/38/204357638.db2.gz QSWQEWQORBMSFX-QFIPXVFZSA-N 1 0 394.563 4.148 50 0 GIAARO COCc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000011843497 204357851 /nfs/dbraw/zinc/35/78/51/204357851.db2.gz FCZKLFAPIKMJHF-IBGZPJMESA-N 1 0 386.561 4.064 50 0 GIAARO CCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c1C ZINC000011843151 204358185 /nfs/dbraw/zinc/35/81/85/204358185.db2.gz ULFNIIKSIORRQJ-INIZCTEOSA-N 1 0 379.426 4.325 50 0 GIAARO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)c2)c1 ZINC000011878963 204359165 /nfs/dbraw/zinc/35/91/65/204359165.db2.gz LQINXYXPGINZGR-QFIPXVFZSA-N 1 0 388.515 4.246 50 0 GIAARO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2F)CC1 ZINC000011935088 204362489 /nfs/dbraw/zinc/36/24/89/204362489.db2.gz PYTZWRKDEZCHER-JOCHJYFZSA-N 1 0 397.469 4.171 50 0 GIAARO Cn1ccnc1SCC[NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000011935315 204362818 /nfs/dbraw/zinc/36/28/18/204362818.db2.gz QIKCCGILYYUQTM-UHFFFAOYSA-N 1 0 389.528 4.359 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccccc2-c2ccco2)CC1)NC[C@@H]1CCCO1 ZINC000011950335 204363925 /nfs/dbraw/zinc/36/39/25/204363925.db2.gz YGWRZQPTXIAASB-NRFANRHFSA-N 1 0 396.531 4.234 50 0 GIAARO c1coc(CN2CCC([NH2+][C@@H]3CCCN(c4nc5ccccc5s4)C3)CC2)c1 ZINC000011948966 204364769 /nfs/dbraw/zinc/36/47/69/204364769.db2.gz GPSQBLFXFFMFGO-GOSISDBHSA-N 1 0 396.560 4.112 50 0 GIAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000011937833 204364831 /nfs/dbraw/zinc/36/48/31/204364831.db2.gz RVHUJZMJVPGRPW-UHFFFAOYSA-N 1 0 388.471 4.120 50 0 GIAARO COCc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998311 204365730 /nfs/dbraw/zinc/36/57/30/204365730.db2.gz GXVTZFHEMYRSPA-LJQANCHMSA-N 1 0 390.955 4.466 50 0 GIAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1C2CC3CC(C2)CC1C3 ZINC000011979999 204365963 /nfs/dbraw/zinc/36/59/63/204365963.db2.gz OQVYXWDWKJTKCN-GEEIGOFMSA-N 1 0 384.539 4.369 50 0 GIAARO COc1ccc2nc(N3CCC([NH2+][C@@H](C)Cc4cccs4)CC3)nc(C)c2c1 ZINC000012052675 204368397 /nfs/dbraw/zinc/36/83/97/204368397.db2.gz ZWPXTOREFTTWRP-HNNXBMFYSA-N 1 0 396.560 4.198 50 0 GIAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000012052026 204368937 /nfs/dbraw/zinc/36/89/37/204368937.db2.gz QFAUZNOONDOKAP-UHFFFAOYSA-N 1 0 397.607 4.074 50 0 GIAARO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000011093685 204342469 /nfs/dbraw/zinc/34/24/69/204342469.db2.gz DURDNHKKIPNWCX-VGSWGCGISA-N 1 0 382.504 4.389 50 0 GIAARO CC(=O)c1cc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000012196113 204381129 /nfs/dbraw/zinc/38/11/29/204381129.db2.gz FMDYADFVLBYALD-FQEVSTJZSA-N 1 0 384.545 4.120 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(-c2ccccc2F)n1 ZINC000012197849 204381262 /nfs/dbraw/zinc/38/12/62/204381262.db2.gz YHLHWMPCNRHFSX-INIZCTEOSA-N 1 0 389.478 4.482 50 0 GIAARO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccc3c2OCO3)cc1C ZINC000012209057 204383312 /nfs/dbraw/zinc/38/33/12/204383312.db2.gz FUUQTGVNNACHBW-HXUWFJFHSA-N 1 0 375.472 4.385 50 0 GIAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](C/C=C/c3ccco3)C2)cc1 ZINC000012210072 204383740 /nfs/dbraw/zinc/38/37/40/204383740.db2.gz UWAQTGCOELVGMP-MTGFJVSHSA-N 1 0 390.487 4.138 50 0 GIAARO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3cccc(F)c3n2)C1)c1cccs1 ZINC000012208836 204383905 /nfs/dbraw/zinc/38/39/05/204383905.db2.gz ZTEAHCGNUIIIMV-OAHLLOKOSA-N 1 0 383.492 4.077 50 0 GIAARO COc1ccc(-c2nc(C[N@H+](CC3CC3)C[C@H]3CCCO3)c(C)o2)cc1OC ZINC000012298729 204390395 /nfs/dbraw/zinc/39/03/95/204390395.db2.gz OVQLAMOXSJVDPT-GOSISDBHSA-N 1 0 386.492 4.058 50 0 GIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000012299136 204390812 /nfs/dbraw/zinc/39/08/12/204390812.db2.gz RVNSJRTWUNFISB-IBGZPJMESA-N 1 0 399.498 4.409 50 0 GIAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)[nH]n1 ZINC000012301202 204390855 /nfs/dbraw/zinc/39/08/55/204390855.db2.gz GKNIJVSAFJETKG-NRFANRHFSA-N 1 0 375.944 4.079 50 0 GIAARO Cc1cc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000012300502 204391234 /nfs/dbraw/zinc/39/12/34/204391234.db2.gz RGLXRYONGRONIG-JOCHJYFZSA-N 1 0 388.458 4.303 50 0 GIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000012299885 204392080 /nfs/dbraw/zinc/39/20/80/204392080.db2.gz PIYQPVHKWZCDIR-XMMPIXPASA-N 1 0 393.506 4.423 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2ccc(OC(C)C)c(CO)c2)cnn1-c1ccccc1 ZINC000012303771 204392984 /nfs/dbraw/zinc/39/29/84/204392984.db2.gz JUCVVIJHOCTNPZ-KRWDZBQOSA-N 1 0 379.504 4.311 50 0 GIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cnc(N4CCCC4)s3)c2C)cc1 ZINC000012313882 204395029 /nfs/dbraw/zinc/39/50/29/204395029.db2.gz SFDZVHLYDYXXGK-OAHLLOKOSA-N 1 0 397.548 4.097 50 0 GIAARO Cc1ccc(C[C@@H](C)[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)cc1 ZINC000012760312 204444036 /nfs/dbraw/zinc/44/40/36/204444036.db2.gz BNUXRVLDNNQROD-GOSISDBHSA-N 1 0 382.552 4.444 50 0 GIAARO OCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000013726987 204508123 /nfs/dbraw/zinc/50/81/23/204508123.db2.gz WTVZYHZCYWMNMG-UHFFFAOYSA-N 1 0 396.300 4.419 50 0 GIAARO CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000014523923 204535088 /nfs/dbraw/zinc/53/50/88/204535088.db2.gz YPNVUFVZXAXJTH-UHFFFAOYSA-N 1 0 393.409 4.107 50 0 GIAARO Fc1ccc(-n2cc(C[NH2+]CCc3cn[nH]c3)c(-c3ccccc3Cl)n2)cc1 ZINC000019837401 204686868 /nfs/dbraw/zinc/68/68/68/204686868.db2.gz DPZJQDSJOZMKDZ-UHFFFAOYSA-N 1 0 395.869 4.387 50 0 GIAARO Cc1cccc(C[C@@H](C)[NH2+]Cc2ccc(-c3ccn(CC(F)F)n3)s2)n1 ZINC000020119713 204702318 /nfs/dbraw/zinc/70/23/18/204702318.db2.gz CLNOBMDTRMLDIU-CQSZACIVSA-N 1 0 376.476 4.301 50 0 GIAARO CCOc1cc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)cc2)ccc1OCC(N)=O ZINC000033087223 204945570 /nfs/dbraw/zinc/94/55/70/204945570.db2.gz PKANNZXBRFZQLD-NRFANRHFSA-N 1 0 396.531 4.375 50 0 GIAARO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036097260 205005167 /nfs/dbraw/zinc/00/51/67/205005167.db2.gz VACSBJIKEUVPGW-SFHVURJKSA-N 1 0 393.911 4.009 50 0 GIAARO COc1cccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+](C)C(C)C)c1 ZINC000036345700 205012514 /nfs/dbraw/zinc/01/25/14/205012514.db2.gz CXEZCHYOSNKOLS-HSZRJFAPSA-N 1 0 393.531 4.330 50 0 GIAARO CCOc1cc(C[NH2+]CCCn2ccnc2)cc(Br)c1OC(C)C ZINC000040719412 205066754 /nfs/dbraw/zinc/06/67/54/205066754.db2.gz LTJJEPLULBAKLC-UHFFFAOYSA-N 1 0 396.329 4.011 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000040739220 205070650 /nfs/dbraw/zinc/07/06/50/205070650.db2.gz LYRBTIRRDISQIE-SFHVURJKSA-N 1 0 378.310 4.197 50 0 GIAARO Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000044209168 205084955 /nfs/dbraw/zinc/08/49/55/205084955.db2.gz LGXWWLZZLZKCKP-HXUWFJFHSA-N 1 0 393.491 4.041 50 0 GIAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000044936269 205090301 /nfs/dbraw/zinc/09/03/01/205090301.db2.gz KXHJFOWGSMJTKA-HSZRJFAPSA-N 1 0 380.532 4.483 50 0 GIAARO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000084718326 205099167 /nfs/dbraw/zinc/09/91/67/205099167.db2.gz SAAZBRKPVOBQMP-QFIPXVFZSA-N 1 0 383.511 4.377 50 0 GIAARO OCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000040743678 205071718 /nfs/dbraw/zinc/07/17/18/205071718.db2.gz WZLQEGZLMCMKNJ-UHFFFAOYSA-N 1 0 384.701 4.154 50 0 GIAARO CCOc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1cccc(C)c1 ZINC000040744318 205071736 /nfs/dbraw/zinc/07/17/36/205071736.db2.gz YZEHLSKIEHIXBE-UHFFFAOYSA-N 1 0 377.912 4.488 50 0 GIAARO Cc1ccc(OCc2ccc(C(=O)NCc3cccc(C[NH+](C)C)c3)o2)cc1 ZINC000046380184 205106202 /nfs/dbraw/zinc/10/62/02/205106202.db2.gz HSBIICDGPPFZQS-UHFFFAOYSA-N 1 0 378.472 4.159 50 0 GIAARO O=C(Nc1ccccc1OCCc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000048324822 205119278 /nfs/dbraw/zinc/11/92/78/205119278.db2.gz FXXVJLDOPOYOPG-NRFANRHFSA-N 1 0 393.531 4.400 50 0 GIAARO FC(F)(F)c1cccc(-n2nnnc2C2([NH2+]C3CCCCC3)CCCC2)c1 ZINC000046078261 205104899 /nfs/dbraw/zinc/10/48/99/205104899.db2.gz NRDYSUCIMDZUNT-UHFFFAOYSA-N 1 0 379.430 4.373 50 0 GIAARO FC(F)(F)c1cccc(-n2nnnc2C2([NH+]3CCCCC3)CCCCC2)c1 ZINC000046078277 205105106 /nfs/dbraw/zinc/10/51/06/205105106.db2.gz IAAPXZSCLQHEON-UHFFFAOYSA-N 1 0 379.430 4.326 50 0 GIAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000055054748 205142237 /nfs/dbraw/zinc/14/22/37/205142237.db2.gz ICHGLWRIHILTNB-HNNXBMFYSA-N 1 0 389.377 4.337 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805640 205151668 /nfs/dbraw/zinc/15/16/68/205151668.db2.gz HZDIRMRLWZSYKE-CRAIPNDOSA-N 1 0 379.932 4.117 50 0 GIAARO CCc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000057457210 205158245 /nfs/dbraw/zinc/15/82/45/205158245.db2.gz FMOYXLYYMDPDTG-FQEVSTJZSA-N 1 0 391.467 4.464 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)n(-c2ccc(C)cc2)n1 ZINC000057553802 205159901 /nfs/dbraw/zinc/15/99/01/205159901.db2.gz RWULGGBRCWIMRY-HSZRJFAPSA-N 1 0 376.504 4.415 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3cccc(F)c3)no2)[NH+]2CCCC2)cc1 ZINC000058084285 205163850 /nfs/dbraw/zinc/16/38/50/205163850.db2.gz SNYGUFAOKOROHF-NRFANRHFSA-N 1 0 393.462 4.356 50 0 GIAARO Cc1ccc(C)c(OCC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1 ZINC000058159537 205165335 /nfs/dbraw/zinc/16/53/35/205165335.db2.gz JWVSJYADDSIBDJ-UHFFFAOYSA-N 1 0 384.545 4.178 50 0 GIAARO C[NH+](C)[C@@H](CNc1nc(-c2cccnc2)nc2ccccc21)c1cccs1 ZINC000058157491 205165396 /nfs/dbraw/zinc/16/53/96/205165396.db2.gz XOEDCHIBUTXDPE-SFHVURJKSA-N 1 0 375.501 4.468 50 0 GIAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc2ccccc21 ZINC000058170342 205167070 /nfs/dbraw/zinc/16/70/70/205167070.db2.gz MOIHWUAPRNUSTA-MRXNPFEDSA-N 1 0 387.483 4.021 50 0 GIAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3coc(Br)c3)cc2)C1 ZINC000058949417 205179016 /nfs/dbraw/zinc/17/90/16/205179016.db2.gz PAUNOIYPURAIQP-CQSZACIVSA-N 1 0 391.309 4.204 50 0 GIAARO CCCc1nc(-c2ccccc2)oc1CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000064612511 205192427 /nfs/dbraw/zinc/19/24/27/205192427.db2.gz KVVKSOZHZMRUSV-UHFFFAOYSA-N 1 0 395.547 4.314 50 0 GIAARO CC[C@@H](NC(=O)C1=CC[N@H+](Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1 ZINC000064818067 205196705 /nfs/dbraw/zinc/19/67/05/205196705.db2.gz SESOWYYHEUYOAK-JOCHJYFZSA-N 1 0 382.479 4.234 50 0 GIAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccc(Cl)cc1)N2 ZINC000065298519 205228101 /nfs/dbraw/zinc/22/81/01/205228101.db2.gz NBQQIOBEOUTNRA-LJQANCHMSA-N 1 0 383.923 4.381 50 0 GIAARO Cc1ccc(-c2cc([C@H]3CC[N@H+](Cc4cncnc4)C3)ccn2)c2cccnc12 ZINC000065530593 205238595 /nfs/dbraw/zinc/23/85/95/205238595.db2.gz PYFMAMAHMOIXIC-FQEVSTJZSA-N 1 0 381.483 4.385 50 0 GIAARO Cc1ccc([C@H](Cn2cnc(-c3ccccc3)c2-c2nc[nH]c2C)[NH+](C)C)o1 ZINC000067820493 205262903 /nfs/dbraw/zinc/26/29/03/205262903.db2.gz DKKCQJAJLPKUGB-SFHVURJKSA-N 1 0 375.476 4.453 50 0 GIAARO O=C(Nc1ccccc1C(F)(F)F)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090609024 205274905 /nfs/dbraw/zinc/27/49/05/205274905.db2.gz KTRUCMDWVBWEDM-AWEZNQCLSA-N 1 0 387.471 4.141 50 0 GIAARO CN(C)C(=O)c1cccc(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000071792458 205296771 /nfs/dbraw/zinc/29/67/71/205296771.db2.gz UVYRWEOXXMGJIK-BJKOFHAPSA-N 1 0 391.559 4.017 50 0 GIAARO Cc1nccc(-c2cccc(NC(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)c2)n1 ZINC000069585946 205276207 /nfs/dbraw/zinc/27/62/07/205276207.db2.gz YUGDIDFDHVNBEH-NRFANRHFSA-N 1 0 381.524 4.084 50 0 GIAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCSc2ccccc21 ZINC000069927649 205277385 /nfs/dbraw/zinc/27/73/85/205277385.db2.gz RTTLUZPHYFZWFH-HXUWFJFHSA-N 1 0 381.545 4.319 50 0 GIAARO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000072305262 205322518 /nfs/dbraw/zinc/32/25/18/205322518.db2.gz HSJTYKXMCBXAAS-GJZGRUSLSA-N 1 0 385.371 4.302 50 0 GIAARO C/C(=C\c1ccccc1)C[N@@H+]1CCCn2nc(CN3CCC(F)CC3)cc2C1 ZINC000072168607 205315972 /nfs/dbraw/zinc/31/59/72/205315972.db2.gz OPWGYZSTJGUZDG-XMHGGMMESA-N 1 0 382.527 4.126 50 0 GIAARO CC(C)[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072164564 205316464 /nfs/dbraw/zinc/31/64/64/205316464.db2.gz KTTOSOWRQPYNLA-FQEVSTJZSA-N 1 0 385.483 4.064 50 0 GIAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2c1 ZINC000072463865 205353775 /nfs/dbraw/zinc/35/37/75/205353775.db2.gz VJUCCCFWFQYZHX-QGZVFWFLSA-N 1 0 377.463 4.047 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+]1CCC(CO)CC1 ZINC000072473618 205354368 /nfs/dbraw/zinc/35/43/68/205354368.db2.gz WPBPLYMGMDSWJB-UHFFFAOYSA-N 1 0 397.469 4.330 50 0 GIAARO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+]2CCC[C@H](O)C2)cc1OC ZINC000072407858 205345004 /nfs/dbraw/zinc/34/50/04/205345004.db2.gz MHCQDKFDEIQXLU-FQEVSTJZSA-N 1 0 392.499 4.184 50 0 GIAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000072421739 205348605 /nfs/dbraw/zinc/34/86/05/205348605.db2.gz DXKQGJZGNMYPCR-BGYRXZFFSA-N 1 0 385.467 4.063 50 0 GIAARO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](CCc4cccs4)CC3)o2)cc1C ZINC000079102181 205380584 /nfs/dbraw/zinc/38/05/84/205380584.db2.gz KAIIQOLXTFDCEQ-GOSISDBHSA-N 1 0 396.560 4.336 50 0 GIAARO Cc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC000082099749 205385051 /nfs/dbraw/zinc/38/50/51/205385051.db2.gz BBOJVGYKQFKTJC-GOSISDBHSA-N 1 0 386.927 4.033 50 0 GIAARO Cc1ccc(-c2ccsc2C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000095427341 205456898 /nfs/dbraw/zinc/45/68/98/205456898.db2.gz ZDSSODIEHMEESA-LEWJYISDSA-N 1 0 398.572 4.221 50 0 GIAARO CC[C@H]([NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1)c1cccnc1 ZINC000096153156 205537214 /nfs/dbraw/zinc/53/72/14/205537214.db2.gz WXOWDLZSXPSZJK-IBGZPJMESA-N 1 0 379.533 4.310 50 0 GIAARO COc1ccc(/C=C\C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000096912068 205576413 /nfs/dbraw/zinc/57/64/13/205576413.db2.gz VRJATRZGOOUNAM-BENRWUELSA-N 1 0 382.479 4.150 50 0 GIAARO C[C@@H](NCc1ccccc1C[NH+]1CCCC1)c1nnc(-c2ccc(F)cc2)o1 ZINC000012932565 205882590 /nfs/dbraw/zinc/88/25/90/205882590.db2.gz WRJHMUUWCFGJJL-MRXNPFEDSA-N 1 0 380.467 4.322 50 0 GIAARO CCCCOc1ccc(NC(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000225577197 206059513 /nfs/dbraw/zinc/05/95/13/206059513.db2.gz SEQQGAUZAXMIHB-LJQANCHMSA-N 1 0 391.581 4.205 50 0 GIAARO O=C(c1csc(-c2ccccc2)n1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687590 206068233 /nfs/dbraw/zinc/06/82/33/206068233.db2.gz DCYCHXZSKZEIKQ-FQEVSTJZSA-N 1 0 389.524 4.083 50 0 GIAARO CCC(C)(C)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000032513543 206090637 /nfs/dbraw/zinc/09/06/37/206090637.db2.gz ZTTZRMJOMGHNTE-NRFANRHFSA-N 1 0 379.504 4.151 50 0 GIAARO CCc1ccc([C@H](CNC(=O)c2c(C)nn(-c3ccccc3)c2C)[NH+](C)C)cc1 ZINC000032733612 206091133 /nfs/dbraw/zinc/09/11/33/206091133.db2.gz ODXOXNRQXPAZBY-QFIPXVFZSA-N 1 0 390.531 4.084 50 0 GIAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](C[C@@H](O)c1ccccc1)CC2 ZINC000229680441 206108615 /nfs/dbraw/zinc/10/86/15/206108615.db2.gz VVHYMQWHTKCPDC-RCZVLFRGSA-N 1 0 389.495 4.385 50 0 GIAARO CCc1ccc2oc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c(C)c2c1 ZINC000238923911 206124891 /nfs/dbraw/zinc/12/48/91/206124891.db2.gz QGORVZZSCVSLCR-UHFFFAOYSA-N 1 0 377.488 4.308 50 0 GIAARO CCc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3CC)C2)c1 ZINC000249691566 206139187 /nfs/dbraw/zinc/13/91/87/206139187.db2.gz LSWHENDTSIPGMS-LJQANCHMSA-N 1 0 390.531 4.469 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cnn1C(C)C ZINC000242339092 206129238 /nfs/dbraw/zinc/12/92/38/206129238.db2.gz ZEVHHENAVBXWAU-MRXNPFEDSA-N 1 0 377.492 4.271 50 0 GIAARO Fc1ccccc1CC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000247521001 206133760 /nfs/dbraw/zinc/13/37/60/206133760.db2.gz LKIDUWQMQBSDDR-UHFFFAOYSA-N 1 0 386.474 4.465 50 0 GIAARO CCCCOCCC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248160250 206135315 /nfs/dbraw/zinc/13/53/15/206135315.db2.gz KXBLJIAVNSHIQV-UHFFFAOYSA-N 1 0 396.510 4.429 50 0 GIAARO Cc1cccc(Cn2nc(C[NH2+]C[C@H](O)c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000247915017 206136392 /nfs/dbraw/zinc/13/63/92/206136392.db2.gz MHQNSSGBQKWGGM-DEOSSOPVSA-N 1 0 398.510 4.125 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(-c2ccsc2)c1 ZINC000299778087 206187749 /nfs/dbraw/zinc/18/77/49/206187749.db2.gz DEQKJNQXSWPPIV-UHFFFAOYSA-N 1 0 377.513 4.205 50 0 GIAARO Cc1ncsc1CCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299779210 206190889 /nfs/dbraw/zinc/19/08/89/206190889.db2.gz SUJHWYQKDPHCPJ-KSZLIROESA-N 1 0 380.517 4.313 50 0 GIAARO CC(C)c1nc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)cs1 ZINC000299801440 206193789 /nfs/dbraw/zinc/19/37/89/206193789.db2.gz YIQHELSCVGZOHS-ZCNNSNEGSA-N 1 0 383.561 4.451 50 0 GIAARO COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133643 206209888 /nfs/dbraw/zinc/20/98/88/206209888.db2.gz RSUHQZIEPNTZEA-NRFANRHFSA-N 1 0 378.944 4.142 50 0 GIAARO CCOc1ccccc1CN(C)C[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000055227860 206210919 /nfs/dbraw/zinc/21/09/19/206210919.db2.gz VLVSGKXHLHTPJU-JOCHJYFZSA-N 1 0 396.575 4.480 50 0 GIAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000004194906 220693492 /nfs/dbraw/zinc/69/34/92/220693492.db2.gz VJJZUCIEDXKGJA-NRFANRHFSA-N 1 0 383.532 4.107 50 0 GIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(COc2ccccc2)cc1 ZINC000007987619 221019952 /nfs/dbraw/zinc/01/99/52/221019952.db2.gz MNCGGZVOJAUFNR-QHCPKHFHSA-N 1 0 386.495 4.270 50 0 GIAARO CCOc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1 ZINC000012072499 221146560 /nfs/dbraw/zinc/14/65/60/221146560.db2.gz DAELTBUSUTZCIW-UHFFFAOYSA-N 1 0 396.535 4.248 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cnn1-c1ccc(F)cc1F ZINC000012094003 221150841 /nfs/dbraw/zinc/15/08/41/221150841.db2.gz ONZHWJJNFCAWOK-HNNXBMFYSA-N 1 0 393.441 4.495 50 0 GIAARO c1cc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cs1 ZINC000058176681 136154852 /nfs/dbraw/zinc/15/48/52/136154852.db2.gz AFWMRBTUEAGEMB-UHFFFAOYSA-N 1 0 387.512 4.076 50 0 GIAARO Cc1cc(N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)nc(C(C)C)n1 ZINC000072159462 136167194 /nfs/dbraw/zinc/16/71/94/136167194.db2.gz PRFPNNFCZZIOPL-NRFANRHFSA-N 1 0 393.579 4.008 50 0 GIAARO Cc1ccccc1-n1cc(C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)cn1 ZINC000072412201 136169643 /nfs/dbraw/zinc/16/96/43/136169643.db2.gz MDBMYIXRHOUWSG-UHFFFAOYSA-N 1 0 387.531 4.211 50 0 GIAARO CCc1cc(N2CCC(c3nccn3C(C)C)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095356975 136177970 /nfs/dbraw/zinc/17/79/70/136177970.db2.gz JFWMEBOIAQZWCG-UHFFFAOYSA-N 1 0 382.556 4.191 50 0 GIAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095497497 136179654 /nfs/dbraw/zinc/17/96/54/136179654.db2.gz RVIWCXAPPIBPMB-GOSISDBHSA-N 1 0 397.954 4.420 50 0 GIAARO Cc1cc(N2CCC([NH2+][C@H](C)c3nccs3)CC2)nc(-c2ccccc2)n1 ZINC000095527903 136181640 /nfs/dbraw/zinc/18/16/40/136181640.db2.gz YPTUZZOWGCFDGD-MRXNPFEDSA-N 1 0 379.533 4.228 50 0 GIAARO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc([S@](C)=O)cc1 ZINC000095968495 136182914 /nfs/dbraw/zinc/18/29/14/136182914.db2.gz UMXGKTPFBJNJAC-KBUMFOBPSA-N 1 0 376.953 4.397 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)CC1 ZINC000011872716 136199771 /nfs/dbraw/zinc/19/97/71/136199771.db2.gz IHKIELNUDRJZNB-UHFFFAOYSA-N 1 0 376.504 4.179 50 0 GIAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(C2CC2)nc2ccccc21 ZINC000426571334 534341546 /nfs/dbraw/zinc/34/15/46/534341546.db2.gz AVNXTAZXFJIVPA-HXUWFJFHSA-N 1 0 385.511 4.332 50 0 GIAARO O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)Nc1ccnn1C1CCCC1 ZINC000096148142 570214390 /nfs/dbraw/zinc/21/43/90/570214390.db2.gz KLKYJPCZCTVBPJ-LJQANCHMSA-N 1 0 385.487 4.096 50 0 GIAARO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)c1 ZINC000019791380 570219438 /nfs/dbraw/zinc/21/94/38/570219438.db2.gz WMGQJGDTVQCPBV-INIZCTEOSA-N 1 0 386.455 4.285 50 0 GIAARO CN1CC[NH+]([C@H](CC(O)(c2ccccc2)c2ccccc2)c2ccccc2)CC1 ZINC000019799472 570220294 /nfs/dbraw/zinc/22/02/94/570220294.db2.gz VCDTZVDAAVOBQR-RUZDIDTESA-N 1 0 386.539 4.301 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCc3ccccc32)s1 ZINC000015732273 570223253 /nfs/dbraw/zinc/22/32/53/570223253.db2.gz FFYWXNFCGZULKC-KRWDZBQOSA-N 1 0 383.561 4.437 50 0 GIAARO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccccc1F ZINC000019872076 570226671 /nfs/dbraw/zinc/22/66/71/570226671.db2.gz YXXSTVRBWJVEGZ-NRFANRHFSA-N 1 0 381.447 4.237 50 0 GIAARO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019879614 570227102 /nfs/dbraw/zinc/22/71/02/570227102.db2.gz BFDOXMLVGVGTAH-JOCHJYFZSA-N 1 0 399.538 4.286 50 0 GIAARO CCSc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000097137357 570237468 /nfs/dbraw/zinc/23/74/68/570237468.db2.gz SVUPKWOHMZDSAK-QGZVFWFLSA-N 1 0 385.533 4.290 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000020096553 570238867 /nfs/dbraw/zinc/23/88/67/570238867.db2.gz JJWVJRGVKYDWSQ-UHFFFAOYSA-N 1 0 377.532 4.279 50 0 GIAARO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000048361601 570243240 /nfs/dbraw/zinc/24/32/40/570243240.db2.gz IMJSKBQAYNBWHL-IBGZPJMESA-N 1 0 395.547 4.276 50 0 GIAARO O=C(NC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1)c1ccc(F)cc1 ZINC000048367192 570246679 /nfs/dbraw/zinc/24/66/79/570246679.db2.gz LIMSEMBZHLMVDW-UHFFFAOYSA-N 1 0 397.881 4.422 50 0 GIAARO COc1cc2nc(-c3ccc([C@H](C)[NH+]4CCCC4)cc3)nc(N)c2cc1OC ZINC000097601114 570247418 /nfs/dbraw/zinc/24/74/18/570247418.db2.gz KGYDLFYJWGZNHK-AWEZNQCLSA-N 1 0 378.476 4.053 50 0 GIAARO OCC[C@@H]1C[N@H+](Cc2ccc(-c3ccco3)cc2)CCN1Cc1ccsc1 ZINC000020294200 570251795 /nfs/dbraw/zinc/25/17/95/570251795.db2.gz JHSBSXIBFOKABW-OAQYLSRUSA-N 1 0 382.529 4.077 50 0 GIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000020451579 570257199 /nfs/dbraw/zinc/25/71/99/570257199.db2.gz ALIKZGHJIWJSQH-LJQANCHMSA-N 1 0 382.529 4.462 50 0 GIAARO CN1CC[NH+](CC[C@@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)CC1 ZINC000020588828 570269208 /nfs/dbraw/zinc/26/92/08/570269208.db2.gz ITHWYVODEWLLHV-HXUWFJFHSA-N 1 0 384.486 4.170 50 0 GIAARO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000012866529 570269432 /nfs/dbraw/zinc/26/94/32/570269432.db2.gz ZVCLQBJDMKBYKC-QGZVFWFLSA-N 1 0 393.531 4.180 50 0 GIAARO COc1ccc([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1F ZINC000049581226 570271521 /nfs/dbraw/zinc/27/15/21/570271521.db2.gz KCTMYLRTAHHTAH-KRWDZBQOSA-N 1 0 396.462 4.307 50 0 GIAARO CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012876228 570274787 /nfs/dbraw/zinc/27/47/87/570274787.db2.gz XEQWHZAKAZPSDF-KRWDZBQOSA-N 1 0 376.884 4.044 50 0 GIAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)CC1 ZINC000020706478 570275009 /nfs/dbraw/zinc/27/50/09/570275009.db2.gz JOEBNFCEYXLABM-FQEVSTJZSA-N 1 0 380.507 4.482 50 0 GIAARO C[C@H](O)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876449 570283407 /nfs/dbraw/zinc/28/34/07/570283407.db2.gz QJZOTYCBXFUJOQ-LBPRGKRZSA-N 1 0 384.701 4.152 50 0 GIAARO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)OCCO2 ZINC000012884469 570284794 /nfs/dbraw/zinc/28/47/94/570284794.db2.gz IYTSFOGNTCMHBY-ZDUSSCGKSA-N 1 0 375.852 4.123 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 ZINC000012893061 570286498 /nfs/dbraw/zinc/28/64/98/570286498.db2.gz GOWHCEFFGJDSOO-MRXNPFEDSA-N 1 0 382.895 4.432 50 0 GIAARO O=C1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1cccc(F)c1 ZINC000020998028 570286765 /nfs/dbraw/zinc/28/67/65/570286765.db2.gz RQWWDRWYIBXYTP-UHFFFAOYSA-N 1 0 395.503 4.184 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000020998396 570286806 /nfs/dbraw/zinc/28/68/06/570286806.db2.gz YHKPBUWFQHVVFJ-JOCHJYFZSA-N 1 0 378.495 4.312 50 0 GIAARO O=C(Cc1c(Cl)cccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000012896882 570287027 /nfs/dbraw/zinc/28/70/27/570287027.db2.gz IWEOQYJTRAXHBA-UHFFFAOYSA-N 1 0 377.315 4.448 50 0 GIAARO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C(C)C)C2CC2)cc1 ZINC000012898330 570287360 /nfs/dbraw/zinc/28/73/60/570287360.db2.gz DCVOMJQHVUKBKR-QHCPKHFHSA-N 1 0 391.515 4.246 50 0 GIAARO CCCOc1c(Br)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1OC ZINC000020932918 570288237 /nfs/dbraw/zinc/28/82/37/570288237.db2.gz GMOFFUYTIKYVJS-QGZVFWFLSA-N 1 0 394.309 4.070 50 0 GIAARO COc1c(Br)cc(C[NH2+]CCCOC(C)C)cc1Br ZINC000020927470 570288373 /nfs/dbraw/zinc/28/83/73/570288373.db2.gz YLTZIKYTJZPRLQ-UHFFFAOYSA-N 1 0 395.135 4.125 50 0 GIAARO O=C(NCc1cccc(Cl)c1)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663434 570294192 /nfs/dbraw/zinc/29/41/92/570294192.db2.gz GLVBXAREMANMAS-UHFFFAOYSA-N 1 0 389.952 4.243 50 0 GIAARO Cc1cccc2c1cc(C(=O)NCC[N@@H+]1CCC[C@H](c3ccccc3)C1)n2C ZINC000216066934 570295583 /nfs/dbraw/zinc/29/55/83/570295583.db2.gz XCTOGMGHWQIHSQ-FQEVSTJZSA-N 1 0 375.516 4.096 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCC2)cc1 ZINC000021805549 570296677 /nfs/dbraw/zinc/29/66/77/570296677.db2.gz MICKNMLAWFBBIN-SFHVURJKSA-N 1 0 381.501 4.278 50 0 GIAARO COc1cccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C[NH+]2CCCCC2)c1 ZINC000034698596 570299205 /nfs/dbraw/zinc/29/92/05/570299205.db2.gz VWBMRUOSNWKUBI-ISKFKSNPSA-N 1 0 392.543 4.345 50 0 GIAARO O=C(C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)Nc1cccc(Cl)c1Cl ZINC000022038328 570303171 /nfs/dbraw/zinc/30/31/71/570303171.db2.gz WOUORRRYFXIWMF-INIZCTEOSA-N 1 0 396.318 4.342 50 0 GIAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 ZINC000002845854 570307660 /nfs/dbraw/zinc/30/76/60/570307660.db2.gz VSZIFVAQPOKDBS-UHFFFAOYSA-N 1 0 390.483 4.045 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)N2CCc3sccc3C2)c2cccs2)CC1 ZINC000022388818 570315641 /nfs/dbraw/zinc/31/56/41/570315641.db2.gz WNENOVFOYHFXDO-KRWDZBQOSA-N 1 0 389.590 4.351 50 0 GIAARO COc1cc(C[NH2+]CCOc2ccccn2)ccc1OCc1ccc(C)cc1 ZINC000113395769 570330939 /nfs/dbraw/zinc/33/09/39/570330939.db2.gz HPCREULPGDFRNU-UHFFFAOYSA-N 1 0 378.472 4.146 50 0 GIAARO COc1cccc(C[NH2+]CCCOc2ccccn2)c1OCc1ccccc1 ZINC000113397471 570331545 /nfs/dbraw/zinc/33/15/45/570331545.db2.gz XZTWIRVQWHQSAN-UHFFFAOYSA-N 1 0 378.472 4.228 50 0 GIAARO CCOc1cccc(CNC[C@H]2CCC[N@@H+]2CC)c1OCc1ccccc1F ZINC000022936976 570338802 /nfs/dbraw/zinc/33/88/02/570338802.db2.gz YPSKILPOOMOMSE-HXUWFJFHSA-N 1 0 386.511 4.377 50 0 GIAARO C[N@@H+](Cc1coc2c(Cl)cc(Cl)cc2c1=O)C[C@H](O)c1ccccc1 ZINC000023280770 570353891 /nfs/dbraw/zinc/35/38/91/570353891.db2.gz WXAWHHQZFHDPPI-KRWDZBQOSA-N 1 0 378.255 4.265 50 0 GIAARO OCC1CC[NH+]([C@H]2CCCN(Cc3cccc(Oc4ccccc4)c3)C2)CC1 ZINC000023359040 570356390 /nfs/dbraw/zinc/35/63/90/570356390.db2.gz UFHUPVVEXLDLAE-QFIPXVFZSA-N 1 0 380.532 4.148 50 0 GIAARO CN(Cc1coc(-c2ccccc2)n1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000023375327 570359070 /nfs/dbraw/zinc/35/90/70/570359070.db2.gz UGCLZLXIFQFSGY-HSZRJFAPSA-N 1 0 375.516 4.481 50 0 GIAARO FC(F)(F)c1ccnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000024052542 570377889 /nfs/dbraw/zinc/37/78/89/570377889.db2.gz JLFGNOFSUXDLAU-UHFFFAOYSA-N 1 0 398.432 4.407 50 0 GIAARO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000035509762 570381947 /nfs/dbraw/zinc/38/19/47/570381947.db2.gz PLQWPDFKUXQGJJ-UHFFFAOYSA-N 1 0 384.549 4.107 50 0 GIAARO CC(C)[NH+](CCNC(=O)Cc1csc(-c2ccccc2Cl)n1)C(C)C ZINC000024989165 570402327 /nfs/dbraw/zinc/40/23/27/570402327.db2.gz DPRQACUHQRJZHV-UHFFFAOYSA-N 1 0 379.957 4.241 50 0 GIAARO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 ZINC000025049304 570404119 /nfs/dbraw/zinc/40/41/19/570404119.db2.gz QYOIICGXWCXMJN-FQEVSTJZSA-N 1 0 382.410 4.266 50 0 GIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(Br)cc1 ZINC000239338779 570429242 /nfs/dbraw/zinc/42/92/42/570429242.db2.gz LFAXXHBSTAKRQR-IEBWSBKVSA-N 1 0 385.305 4.206 50 0 GIAARO Fc1ccc(OCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000001835565 570436901 /nfs/dbraw/zinc/43/69/01/570436901.db2.gz QDOPGKZMTBSEJO-UHFFFAOYSA-N 1 0 382.401 4.436 50 0 GIAARO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2ccccc2Cl)C2CC2)c1 ZINC000027605254 570437443 /nfs/dbraw/zinc/43/74/43/570437443.db2.gz ZBLCEPORGTVGBF-UHFFFAOYSA-N 1 0 388.895 4.350 50 0 GIAARO COc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027663751 570439266 /nfs/dbraw/zinc/43/92/66/570439266.db2.gz XWADPZFEXLOYSN-NRFANRHFSA-N 1 0 386.923 4.235 50 0 GIAARO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCc2ccccc21 ZINC000029482645 570474618 /nfs/dbraw/zinc/47/46/18/570474618.db2.gz AGXYMFYPXLDCSV-QGZVFWFLSA-N 1 0 377.257 4.146 50 0 GIAARO COc1ccc([C@@H](CNc2cc(C)[nH+]c3ccccc23)N2CCOCC2)cc1 ZINC000089583119 570494629 /nfs/dbraw/zinc/49/46/29/570494629.db2.gz LYGSOJWPYOHEEL-HSZRJFAPSA-N 1 0 377.488 4.037 50 0 GIAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)no2)cc1C ZINC000032623112 570512551 /nfs/dbraw/zinc/51/25/51/570512551.db2.gz RFZOZUIGOPEORA-HXUWFJFHSA-N 1 0 381.451 4.130 50 0 GIAARO CCOc1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)ccc1OCC(N)=O ZINC000033087231 570519950 /nfs/dbraw/zinc/51/99/50/570519950.db2.gz AJKQDQKBTWFMBS-KRWDZBQOSA-N 1 0 388.533 4.128 50 0 GIAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3ccco3)nc21 ZINC000005256928 570527413 /nfs/dbraw/zinc/52/74/13/570527413.db2.gz XVBXGVJPXFTYMA-UHFFFAOYSA-N 1 0 393.896 4.150 50 0 GIAARO O[C@H](C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000022877400 570558814 /nfs/dbraw/zinc/55/88/14/570558814.db2.gz YEGFQLOUOVDCEQ-HSZRJFAPSA-N 1 0 384.951 4.070 50 0 GIAARO CCOC(=O)/C=C/c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000040157984 570560570 /nfs/dbraw/zinc/56/05/70/570560570.db2.gz LBILCNFABOOSAO-JLHYYAGUSA-N 1 0 378.472 4.111 50 0 GIAARO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](C)O)nc(=O)c23)c(C)c1 ZINC000036207956 570569098 /nfs/dbraw/zinc/56/90/98/570569098.db2.gz GBVVFBZIGFFQSP-MRXNPFEDSA-N 1 0 399.560 4.107 50 0 GIAARO Cc1ccc2occ(CN3CC[N@@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)c(=O)c2c1 ZINC000038496021 570579715 /nfs/dbraw/zinc/57/97/15/570579715.db2.gz CQCLHXBXXLTALA-GGAORHGYSA-N 1 0 380.532 4.330 50 0 GIAARO Cc1c2cc(C)cc(C)c2oc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000526052255 570588819 /nfs/dbraw/zinc/58/88/19/570588819.db2.gz KJPHHYGPNWYHME-UHFFFAOYSA-N 1 0 377.488 4.362 50 0 GIAARO CC[NH+](CC)CCOc1ccc2occ(C(=O)c3cc(OC)ccc3OC)c2c1 ZINC000005509468 570618186 /nfs/dbraw/zinc/61/81/86/570618186.db2.gz IFOFOBMRFAIAQM-UHFFFAOYSA-N 1 0 397.471 4.402 50 0 GIAARO Brc1ccc2c(ccc(OC[C@H]3CC[NH2+]C3)c2Br)c1 ZINC000042770351 570622542 /nfs/dbraw/zinc/62/25/42/570622542.db2.gz XBZLVIFBFPIOTD-JTQLQIEISA-N 1 0 385.099 4.353 50 0 GIAARO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000012459738 570670727 /nfs/dbraw/zinc/67/07/27/570670727.db2.gz GFOQPIMADNTODH-HXUWFJFHSA-N 1 0 384.520 4.272 50 0 GIAARO COCC[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1)C(C)C ZINC000012464124 570671096 /nfs/dbraw/zinc/67/10/96/570671096.db2.gz CTIDIGRJCXRIRU-UHFFFAOYSA-N 1 0 379.504 4.405 50 0 GIAARO CCc1ccc(C[NH+]2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)o1 ZINC000012583879 570684927 /nfs/dbraw/zinc/68/49/27/570684927.db2.gz BYGQSLJGYWANOZ-UHFFFAOYSA-N 1 0 396.487 4.075 50 0 GIAARO CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)no2)cc1 ZINC000032622803 570707063 /nfs/dbraw/zinc/70/70/63/570707063.db2.gz TUPOIFADLHCNRH-NRFANRHFSA-N 1 0 393.487 4.081 50 0 GIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cccc4cccnc43)C2)c1 ZINC000012746640 570708702 /nfs/dbraw/zinc/70/87/02/570708702.db2.gz HQPPZOMFKHJDLI-XMMPIXPASA-N 1 0 376.500 4.061 50 0 GIAARO Cc1ccc(C[C@H](C)[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)cc1 ZINC000012760307 570710559 /nfs/dbraw/zinc/71/05/59/570710559.db2.gz BNUXRVLDNNQROD-SFHVURJKSA-N 1 0 382.552 4.444 50 0 GIAARO Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)s1 ZINC000012760525 570710628 /nfs/dbraw/zinc/71/06/28/570710628.db2.gz WFFCYNLJYDWKIN-UHFFFAOYSA-N 1 0 398.507 4.482 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)C1(c2ccccc2)CC1 ZINC000012759095 570710639 /nfs/dbraw/zinc/71/06/39/570710639.db2.gz JKBBFMSLZSVFQO-NRFANRHFSA-N 1 0 394.534 4.270 50 0 GIAARO CC(=O)N1CN(C2CC(C)(C)[NH2+]C(C)(C)C2)Cc2c3c(sc21)CCCC3 ZINC000000950056 570736205 /nfs/dbraw/zinc/73/62/05/570736205.db2.gz ICXTWHYLFQXBCV-UHFFFAOYSA-N 1 0 375.582 4.062 50 0 GIAARO Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C[N@@H+](C)C1CCN(C)CC1 ZINC000000950402 570737024 /nfs/dbraw/zinc/73/70/24/570737024.db2.gz XSVGGJVZBJUZQE-UHFFFAOYSA-N 1 0 391.515 4.155 50 0 GIAARO CC(C)c1noc(-c2cccnc2N2CCC[N@H+](Cc3cccc(F)c3)CC2)n1 ZINC000065257916 570758983 /nfs/dbraw/zinc/75/89/83/570758983.db2.gz OHGSVLLILUUAQM-UHFFFAOYSA-N 1 0 395.482 4.106 50 0 GIAARO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1ccccc1 ZINC000096602572 570774776 /nfs/dbraw/zinc/77/47/76/570774776.db2.gz WBGCLWQQDKRSMJ-IFMALSPDSA-N 1 0 392.499 4.360 50 0 GIAARO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000013725898 570781717 /nfs/dbraw/zinc/78/17/17/570781717.db2.gz BINMFNJJOXAJMO-GOSISDBHSA-N 1 0 398.547 4.100 50 0 GIAARO COc1cc(C[NH2+]CCCCCO)ccc1OCc1c(F)cccc1Cl ZINC000013727134 570782242 /nfs/dbraw/zinc/78/22/42/570782242.db2.gz ZGJAONPWPJCQQR-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO COc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccccc1F ZINC000013727031 570782254 /nfs/dbraw/zinc/78/22/54/570782254.db2.gz SZQPWWRUGDPXIU-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO CC(C)(C)[NH2+][C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000001170901 570790513 /nfs/dbraw/zinc/79/05/13/570790513.db2.gz MHJPTSNUUIOCHW-SFTDATJTSA-N 1 0 380.513 4.302 50 0 GIAARO COc1ccc(Cl)cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023016868 570800520 /nfs/dbraw/zinc/80/05/20/570800520.db2.gz ULKLPTGJNDMCPA-UHFFFAOYSA-N 1 0 378.925 4.052 50 0 GIAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)c3c[nH]c4ccccc34)c(C)c2)CC1 ZINC000032772046 570805542 /nfs/dbraw/zinc/80/55/42/570805542.db2.gz GEKINJVQOYACLX-SFHVURJKSA-N 1 0 390.531 4.302 50 0 GIAARO O=C(Cc1c2ccccc2[nH]c1Sc1cccc(F)c1)NCC[NH+]1CCCC1 ZINC000033116323 570814033 /nfs/dbraw/zinc/81/40/33/570814033.db2.gz RTNWGUYTYJDZQM-UHFFFAOYSA-N 1 0 397.519 4.213 50 0 GIAARO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1 ZINC000014123952 570823959 /nfs/dbraw/zinc/82/39/59/570823959.db2.gz MISIJWMSDPJDPA-MRXNPFEDSA-N 1 0 376.456 4.290 50 0 GIAARO COc1ccc([C@@H](NC(=O)c2oc3ccc(F)cc3c2C)c2nccn2C)cc1 ZINC000012535102 570835413 /nfs/dbraw/zinc/83/54/13/570835413.db2.gz OLZVQJRNTCCXEM-LJQANCHMSA-N 1 0 393.418 4.142 50 0 GIAARO CC(C)(C)c1csc(C[NH2+]C[C@@H]2C(=O)Nc3cc(Br)ccc32)n1 ZINC000102027545 570840642 /nfs/dbraw/zinc/84/06/42/570840642.db2.gz AVBRNFIUWGXACZ-LBPRGKRZSA-N 1 0 394.338 4.029 50 0 GIAARO CCOc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007448564 570844825 /nfs/dbraw/zinc/84/48/25/570844825.db2.gz ZYMBEBRESUAIQX-UHFFFAOYSA-N 1 0 398.572 4.480 50 0 GIAARO CC1=C(CC[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3C)C(C)(C)CCC1 ZINC000014742531 570858365 /nfs/dbraw/zinc/85/83/65/570858365.db2.gz MGWGNXLPYJIRNO-UHFFFAOYSA-N 1 0 375.557 4.040 50 0 GIAARO COc1ccc(C[N@@H+]2CCCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000032860183 570860631 /nfs/dbraw/zinc/86/06/31/570860631.db2.gz UMAYKOQTRCKIJP-UHFFFAOYSA-N 1 0 388.471 4.097 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(-c3ccco3)c2)CC1)C1CC1 ZINC000014960647 570866856 /nfs/dbraw/zinc/86/68/56/570866856.db2.gz PMLLTJLEJAWZHX-UHFFFAOYSA-N 1 0 390.487 4.329 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cccc(C)n1 ZINC000014977251 570868553 /nfs/dbraw/zinc/86/85/53/570868553.db2.gz VOZDKALLHWNXDU-UHFFFAOYSA-N 1 0 379.548 4.115 50 0 GIAARO CCC(=O)NCCOc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000014991913 570870367 /nfs/dbraw/zinc/87/03/67/570870367.db2.gz HTXFMNWJUHWVEV-UHFFFAOYSA-N 1 0 376.500 4.377 50 0 GIAARO O=C1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccccc1F ZINC000015007114 570871422 /nfs/dbraw/zinc/87/14/22/570871422.db2.gz FCSHJGJCJMMQII-UHFFFAOYSA-N 1 0 395.503 4.184 50 0 GIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)o1 ZINC000015062710 570874541 /nfs/dbraw/zinc/87/45/41/570874541.db2.gz JQYVQDCNJFGILS-KRWDZBQOSA-N 1 0 386.923 4.301 50 0 GIAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000015069803 570877031 /nfs/dbraw/zinc/87/70/31/570877031.db2.gz VPZMGFOZJLKOBP-QGZVFWFLSA-N 1 0 396.441 4.001 50 0 GIAARO CN(C)c1cccc(C(=O)N(C)CC2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000170621673 570877391 /nfs/dbraw/zinc/87/73/91/570877391.db2.gz OPNMJSVWNFXEFZ-UHFFFAOYSA-N 1 0 379.548 4.127 50 0 GIAARO COc1cc(CNCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc(OC)c1OC ZINC000097002542 570885783 /nfs/dbraw/zinc/88/57/83/570885783.db2.gz IBZPQMVCKGFSEO-SFHVURJKSA-N 1 0 398.547 4.466 50 0 GIAARO COc1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C(C)(C)C)c(OC)c1 ZINC000097032620 570887384 /nfs/dbraw/zinc/88/73/84/570887384.db2.gz QKNPIJKAMLCTKJ-UHFFFAOYSA-N 1 0 380.492 4.085 50 0 GIAARO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000015310036 570888503 /nfs/dbraw/zinc/88/85/03/570888503.db2.gz FSTOVRGKPUKROV-FQEVSTJZSA-N 1 0 381.472 4.266 50 0 GIAARO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000097117186 570897926 /nfs/dbraw/zinc/89/79/26/570897926.db2.gz JHLABUCQIDZSRH-UHFFFAOYSA-N 1 0 392.590 4.335 50 0 GIAARO O=C(Nc1ccccc1Br)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013746116 570900919 /nfs/dbraw/zinc/90/09/19/570900919.db2.gz LQPVMHAQFVCXTB-UHFFFAOYSA-N 1 0 388.309 4.235 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCCC2)o1 ZINC000015860166 570907191 /nfs/dbraw/zinc/90/71/91/570907191.db2.gz GEOYMXYJANOIME-KRWDZBQOSA-N 1 0 391.309 4.308 50 0 GIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)Cc2ccc(F)cc2)cc1 ZINC000032908708 570909462 /nfs/dbraw/zinc/90/94/62/570909462.db2.gz FFXABKCLCCKXIY-UHFFFAOYSA-N 1 0 376.475 4.413 50 0 GIAARO CC(C)C[C@@H](CNc1cc(C(F)(F)F)nc2ccccc21)[NH+]1CCOCC1 ZINC000089821014 570915782 /nfs/dbraw/zinc/91/57/82/570915782.db2.gz NXCLVKVGIIEUPO-HNNXBMFYSA-N 1 0 381.442 4.412 50 0 GIAARO Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)o2)cc1 ZINC000089878676 570917721 /nfs/dbraw/zinc/91/77/21/570917721.db2.gz UBFLYVRTCONTRR-SFHVURJKSA-N 1 0 376.435 4.495 50 0 GIAARO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000089910240 570919060 /nfs/dbraw/zinc/91/90/60/570919060.db2.gz VCMFAZNQFJRPBR-MRXNPFEDSA-N 1 0 391.475 4.084 50 0 GIAARO CC[NH+](CC)CCN(CCC(F)(F)F)c1cnc2cc(F)c(F)cc2n1 ZINC000089968986 570921997 /nfs/dbraw/zinc/92/19/97/570921997.db2.gz NDBXBQFYHKQESL-UHFFFAOYSA-N 1 0 376.373 4.009 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(F)cc2Br)C1 ZINC000047038838 570939292 /nfs/dbraw/zinc/93/92/92/570939292.db2.gz ZPLDQKVJUNEGDE-OKILXGFUSA-N 1 0 385.321 4.076 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccnc1 ZINC000019200301 570959422 /nfs/dbraw/zinc/95/94/22/570959422.db2.gz PORXPXAKLCYJJU-HXUWFJFHSA-N 1 0 398.890 4.146 50 0 GIAARO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000252463505 570961079 /nfs/dbraw/zinc/96/10/79/570961079.db2.gz GSUYREPKHWSBSP-KKSFZXQISA-N 1 0 375.896 4.316 50 0 GIAARO COc1cc(CCC[NH+]2CCN(c3c(C)cccc3C)CC2)cc(OC)c1OC ZINC000002572967 570965749 /nfs/dbraw/zinc/96/57/49/570965749.db2.gz NVSUHXMCYDAFSV-UHFFFAOYSA-N 1 0 398.547 4.084 50 0 GIAARO O=C(c1ccc(Br)cc1)c1ccccc1CN1CCSCC1 ZINC000085651650 570975986 /nfs/dbraw/zinc/97/59/86/570975986.db2.gz CMNQWPJOYQFACI-UHFFFAOYSA-N 1 0 376.319 4.229 50 0 GIAARO COc1cccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1OC ZINC000019363478 570979657 /nfs/dbraw/zinc/97/96/57/570979657.db2.gz XBFZTFXQUSHKOF-UHFFFAOYSA-N 1 0 376.500 4.175 50 0 GIAARO Brc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019363394 570979767 /nfs/dbraw/zinc/97/97/67/570979767.db2.gz DCJMNODLUBWXRL-LEWJYISDSA-N 1 0 385.349 4.417 50 0 GIAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032169 571013813 /nfs/dbraw/zinc/01/38/13/571013813.db2.gz KOOOOPSNHFXMAJ-UHFFFAOYSA-N 1 0 382.533 4.221 50 0 GIAARO CCc1cc2c(C[N@@H+]3CCC[C@@H]3c3ccc(OC)cc3)cc(=O)oc2cc1O ZINC000012766630 571017092 /nfs/dbraw/zinc/01/70/92/571017092.db2.gz ZMKRSQDXGRNHMG-HXUWFJFHSA-N 1 0 379.456 4.407 50 0 GIAARO O[C@@H](C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000084522224 571020704 /nfs/dbraw/zinc/02/07/04/571020704.db2.gz FICNGSBHBDMXFG-PMACEKPBSA-N 1 0 379.422 4.184 50 0 GIAARO Cc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c2cccc(C)c2n1 ZINC000092046932 571042602 /nfs/dbraw/zinc/04/26/02/571042602.db2.gz QFENMFKRBKSDRY-WOJBJXKFSA-N 1 0 377.532 4.188 50 0 GIAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(F)cc2)CC1 ZINC000015679733 571044534 /nfs/dbraw/zinc/04/45/34/571044534.db2.gz BFJPHHBEIOTUEK-UHFFFAOYSA-N 1 0 399.466 4.073 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc[nH]c1 ZINC000095512035 571082538 /nfs/dbraw/zinc/08/25/38/571082538.db2.gz LCNYEQZFROMWLB-KRWDZBQOSA-N 1 0 393.453 4.060 50 0 GIAARO Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccccc4)CC2)n1)CCCC3 ZINC000056907588 823230848 /nfs/dbraw/zinc/23/08/48/823230848.db2.gz RSYVVKCURWYCQA-UHFFFAOYSA-N 1 0 378.545 4.201 50 0 GIAARO CCc1nc2sc3c(ncnc3NCC[NH+](CC)CC)c2c2c1CCCC2 ZINC000002271780 817382227 /nfs/dbraw/zinc/38/22/27/817382227.db2.gz YWRAMRVVFCXTGY-UHFFFAOYSA-N 1 0 383.565 4.434 50 0 GIAARO CC(C)c1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1COC(C)(C)C2 ZINC000002293936 817382983 /nfs/dbraw/zinc/38/29/83/817382983.db2.gz FJTRIOONJCMQAO-UHFFFAOYSA-N 1 0 399.564 4.188 50 0 GIAARO CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000002420401 817388141 /nfs/dbraw/zinc/38/81/41/817388141.db2.gz UJKCBGFILQRGNP-OAQYLSRUSA-N 1 0 390.483 4.023 50 0 GIAARO CC(C)Oc1ccc([C@@H](CC(=O)NCCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000002452677 817389766 /nfs/dbraw/zinc/38/97/66/817389766.db2.gz SJDOTOZGBIAZHZ-QFIPXVFZSA-N 1 0 386.511 4.203 50 0 GIAARO CCOc1ccc(OCc2ccc(C(=O)OCC[NH+]3CCCCC3)cc2)cc1 ZINC000002750907 817399255 /nfs/dbraw/zinc/39/92/55/817399255.db2.gz NVAMTXKCMZYHLB-UHFFFAOYSA-N 1 0 383.488 4.307 50 0 GIAARO COc1ccc(NC(=S)N2CCC([N@H+](C)CCC(C)C)CC2)cc1Cl ZINC000002912900 817405507 /nfs/dbraw/zinc/40/55/07/817405507.db2.gz ZLUODIHVPAFQTK-UHFFFAOYSA-N 1 0 383.989 4.488 50 0 GIAARO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1cccnc1 ZINC000002934065 817406834 /nfs/dbraw/zinc/40/68/34/817406834.db2.gz FCCTVLAZJJQRQG-OAHLLOKOSA-N 1 0 376.957 4.365 50 0 GIAARO CCOc1ccc(-c2cc(C(=O)NCC[NH+](CC)CC)c3ccccc3n2)cc1 ZINC000003044924 817414220 /nfs/dbraw/zinc/41/42/20/817414220.db2.gz WVQSHVJTWZTDSE-UHFFFAOYSA-N 1 0 391.515 4.372 50 0 GIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@@H+](C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000004073753 817500520 /nfs/dbraw/zinc/50/05/20/817500520.db2.gz KBTBNOMZBUOFBK-CSRISIOMSA-N 1 0 397.559 4.499 50 0 GIAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000176741874 823282450 /nfs/dbraw/zinc/28/24/50/823282450.db2.gz NOCZWPCFVBDHGZ-MRXNPFEDSA-N 1 0 397.906 4.157 50 0 GIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cccc3nccnc23)CC1 ZINC000011762763 818117932 /nfs/dbraw/zinc/11/79/32/818117932.db2.gz RHZRMLCKQZTBMP-UHFFFAOYSA-N 1 0 389.499 4.018 50 0 GIAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccn2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011938445 818130510 /nfs/dbraw/zinc/13/05/10/818130510.db2.gz ZPXXBKSFBGFRPV-HXUWFJFHSA-N 1 0 385.511 4.391 50 0 GIAARO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H](O)c3cccnc3)CC2)cc1C ZINC000012307164 818153617 /nfs/dbraw/zinc/15/36/17/818153617.db2.gz CFJQNMYASLLQTB-QHCPKHFHSA-N 1 0 376.504 4.034 50 0 GIAARO Cc1noc(C)c1CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012471494 818162487 /nfs/dbraw/zinc/16/24/87/818162487.db2.gz FYBGMJFBMMPNGE-QFIPXVFZSA-N 1 0 397.563 4.203 50 0 GIAARO Cc1ccc(-c2ccccc2C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)o1 ZINC000012576200 818167541 /nfs/dbraw/zinc/16/75/41/818167541.db2.gz OUOKREPUYVJKFY-UHFFFAOYSA-N 1 0 396.531 4.106 50 0 GIAARO COc1ccc2c(c1)C=C(C[NH2+][C@H](C)c1cnn(-c3ccccc3)c1C)CO2 ZINC000012589863 818169250 /nfs/dbraw/zinc/16/92/50/818169250.db2.gz YQPKUPKVQWXTGG-MRXNPFEDSA-N 1 0 375.472 4.316 50 0 GIAARO CC(=O)c1cccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012702285 818176838 /nfs/dbraw/zinc/17/68/38/818176838.db2.gz GWJJAIDELOLDEJ-QFIPXVFZSA-N 1 0 382.523 4.415 50 0 GIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC000012704445 818176910 /nfs/dbraw/zinc/17/69/10/818176910.db2.gz SQQLFJADLXKMCD-INIZCTEOSA-N 1 0 394.412 4.487 50 0 GIAARO O=C(CCC(F)(F)F)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012712065 818177665 /nfs/dbraw/zinc/17/76/65/818177665.db2.gz ISXIGQNLIHSYME-FQEVSTJZSA-N 1 0 382.470 4.276 50 0 GIAARO C[C@@H]1C[N@@H+](CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012857753 818189621 /nfs/dbraw/zinc/18/96/21/818189621.db2.gz LQMSRCXMPDAAPQ-GASCZTMLSA-N 1 0 380.315 4.339 50 0 GIAARO C[NH+](C)Cc1ccnc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000176916198 823323856 /nfs/dbraw/zinc/32/38/56/823323856.db2.gz NDGSINNIJTXTPP-UHFFFAOYSA-N 1 0 384.867 4.023 50 0 GIAARO OC[C@H]1CCCN(c2nc3cc(F)ccc3cc2C[NH2+]C2CCCCCC2)C1 ZINC000014880703 818274053 /nfs/dbraw/zinc/27/40/53/818274053.db2.gz HCWTUJKOSWNHPC-KRWDZBQOSA-N 1 0 385.527 4.395 50 0 GIAARO Cc1nc(C(=O)N2CCC[C@@H]3C[N@H+](CCCc4ccccc4)CC[C@@H]32)cs1 ZINC000014975244 818280080 /nfs/dbraw/zinc/28/00/80/818280080.db2.gz WWUIVYROWUAJBK-CTNGQTDRSA-N 1 0 383.561 4.011 50 0 GIAARO Fc1cccc(CC[NH2+]Cc2cc3cc4c(cc3nc2N2CCCC2)OCO4)c1 ZINC000014986797 818280713 /nfs/dbraw/zinc/28/07/13/818280713.db2.gz DQPKJEOTXCRLQL-UHFFFAOYSA-N 1 0 393.462 4.035 50 0 GIAARO O=C1N(CCCc2ccccc2)CCC[C@]12CC[N@@H+](CCCC(F)(F)F)C2 ZINC000015064932 818286511 /nfs/dbraw/zinc/28/65/11/818286511.db2.gz HTJGKQIDPWRPSP-HXUWFJFHSA-N 1 0 382.470 4.276 50 0 GIAARO CCn1nc(C)cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000015077423 818287382 /nfs/dbraw/zinc/28/73/82/818287382.db2.gz DLZVMQQRZKTQKF-HSZRJFAPSA-N 1 0 386.584 4.110 50 0 GIAARO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019742143 818603966 /nfs/dbraw/zinc/60/39/66/818603966.db2.gz ZDYDXUOLYKUNGQ-XMSQKQJNSA-N 1 0 393.556 4.285 50 0 GIAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000019839964 818606631 /nfs/dbraw/zinc/60/66/31/818606631.db2.gz ZAPNHGKQLMHMFF-IBGZPJMESA-N 1 0 396.506 4.398 50 0 GIAARO Clc1ccc(-c2noc3ncnc(N4CCC([NH+]5CCCCC5)CC4)c23)cc1 ZINC000020329802 818618125 /nfs/dbraw/zinc/61/81/25/818618125.db2.gz QKFAWYQUSAGDQK-UHFFFAOYSA-N 1 0 397.910 4.393 50 0 GIAARO Fc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CCCCCC3)s2)cc1 ZINC000020576819 818625824 /nfs/dbraw/zinc/62/58/24/818625824.db2.gz BPZYCEXUUMQISV-UHFFFAOYSA-N 1 0 385.512 4.138 50 0 GIAARO COc1ccc(-c2nnc3sc(C[N@@H+]4CCc5ccccc5C4)cn32)cc1 ZINC000020605394 818627412 /nfs/dbraw/zinc/62/74/12/818627412.db2.gz XSSCSRUAJDSMFC-UHFFFAOYSA-N 1 0 376.485 4.025 50 0 GIAARO CCCCOc1ccc([C@@](C)(O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021168474 818661022 /nfs/dbraw/zinc/66/10/22/818661022.db2.gz IBGVOFQHCXCDAQ-DNQXCXABSA-N 1 0 383.532 4.189 50 0 GIAARO CCc1ccc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000021174871 818661464 /nfs/dbraw/zinc/66/14/64/818661464.db2.gz HLICNVWZSZMZSN-UHFFFAOYSA-N 1 0 383.511 4.464 50 0 GIAARO CC[NH+](CC)CCCn1c(C)c(C)c2c3nc(-c4ccccc4)nn3cnc21 ZINC000021801532 818738642 /nfs/dbraw/zinc/73/86/42/818738642.db2.gz IGQJSTYKAVXXAI-UHFFFAOYSA-N 1 0 376.508 4.095 50 0 GIAARO O[C@](Cc1ccccc1)(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000022698192 818847300 /nfs/dbraw/zinc/84/73/00/818847300.db2.gz ZFWNYJRFRRDLCN-IZZNHLLZSA-N 1 0 387.523 4.233 50 0 GIAARO O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000022698201 818847372 /nfs/dbraw/zinc/84/73/72/818847372.db2.gz ZFWNYJRFRRDLCN-FTJBHMTQSA-N 1 0 387.523 4.233 50 0 GIAARO COc1cc2c(c(Br)c1OC)CC[N@H+](C)C[C@@H]2c1cccc(C)c1 ZINC000039930819 821123191 /nfs/dbraw/zinc/12/31/91/821123191.db2.gz NFTCTVHSUIBMII-QGZVFWFLSA-N 1 0 390.321 4.395 50 0 GIAARO CCCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000040103817 821136990 /nfs/dbraw/zinc/13/69/90/821136990.db2.gz LIFZUXCROPXSQK-UHFFFAOYSA-N 1 0 380.536 4.191 50 0 GIAARO O[C@H](C[NH2+]Cc1c(C2CC2)nc2sccn12)c1c(Cl)cccc1Cl ZINC000181836444 822012299 /nfs/dbraw/zinc/01/22/99/822012299.db2.gz LQBHVVKXDTVWOF-CQSZACIVSA-N 1 0 382.316 4.403 50 0 GIAARO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nc(CCOc3cccc(C)c3)no2)C1 ZINC000169788478 823916550 /nfs/dbraw/zinc/91/65/50/823916550.db2.gz PUNLPSXUQVGAMC-KRWDZBQOSA-N 1 0 398.532 4.144 50 0 GIAARO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nc(CCOc3cccc(C)c3)no2)C1 ZINC000169788477 823916670 /nfs/dbraw/zinc/91/66/70/823916670.db2.gz PUNLPSXUQVGAMC-QGZVFWFLSA-N 1 0 398.532 4.144 50 0 GIAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]C1CCCCCCC1)C2 ZINC000014732739 230890598 /nfs/dbraw/zinc/89/05/98/230890598.db2.gz BAYUNIFKHPIGDM-LJQANCHMSA-N 1 0 386.584 4.089 50 0 GIAARO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000000795474 203853195 /nfs/dbraw/zinc/85/31/95/203853195.db2.gz DGJHKYICICNUHL-UHFFFAOYSA-N 1 0 380.532 4.250 50 0 GIAARO CC[NH+](CC)CCN(C(=O)c1cccs1)c1nc2c(cccc2F)s1 ZINC000004359477 204041058 /nfs/dbraw/zinc/04/10/58/204041058.db2.gz CTMMJEWOKXVSPS-UHFFFAOYSA-N 1 0 377.510 4.486 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+]2CCCC2)cc1 ZINC000003534368 204012777 /nfs/dbraw/zinc/01/27/77/204012777.db2.gz HRKGGEMIEGRECN-IBGZPJMESA-N 1 0 394.849 4.194 50 0 GIAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccc3c(c2)OCO3)CCOC(C)(C)C1 ZINC000004029732 204024287 /nfs/dbraw/zinc/02/42/87/204024287.db2.gz AGIYXPDLWJRDFS-DEOSSOPVSA-N 1 0 397.515 4.431 50 0 GIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(N(C)C)cc3)sc2c(C)c1 ZINC000004272542 204035088 /nfs/dbraw/zinc/03/50/88/204035088.db2.gz ISRIOGAZHXSZAX-UHFFFAOYSA-N 1 0 396.560 4.188 50 0 GIAARO O=C1C[C@H](N2CCC(CCCc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004776341 204074008 /nfs/dbraw/zinc/07/40/08/204074008.db2.gz PWKOHYCBKDKFKN-QFIPXVFZSA-N 1 0 394.490 4.193 50 0 GIAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccccc1Cl ZINC000004858147 204083225 /nfs/dbraw/zinc/08/32/25/204083225.db2.gz IKJYAPBKSORMRX-UHFFFAOYSA-N 1 0 384.303 4.442 50 0 GIAARO CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCCC[NH+](C)C)c23)CO1 ZINC000005163306 204116432 /nfs/dbraw/zinc/11/64/32/204116432.db2.gz UJEOVMDTJZVBQA-GOSISDBHSA-N 1 0 380.583 4.018 50 0 GIAARO CC[NH+]1CCN(c2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)CC1 ZINC000005243320 204120299 /nfs/dbraw/zinc/12/02/99/204120299.db2.gz IEPVNANIEUIESX-UHFFFAOYSA-N 1 0 383.499 4.205 50 0 GIAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc([C@H](C)O)cc3)o2)cc1OC ZINC000004942987 204095372 /nfs/dbraw/zinc/09/53/72/204095372.db2.gz PEBPEKGWFZSTDU-INIZCTEOSA-N 1 0 381.472 4.349 50 0 GIAARO CCOP(=O)(C[C@@H](C[NH+](CC)CC)P(=O)(OCC)OCC)OCC ZINC000005008583 204102445 /nfs/dbraw/zinc/10/24/45/204102445.db2.gz AVHBHKKCJZBRQJ-OAHLLOKOSA-N 1 0 387.394 4.229 50 0 GIAARO CCOc1ccc([C@@]2(O)[C@H](C)N3CCCCCC3=[N+]2c2ccc(OC)cc2)cc1 ZINC000005466008 204134254 /nfs/dbraw/zinc/13/42/54/204134254.db2.gz YBHKQIKLDVCVJM-UUOWRZLLSA-N 1 0 395.523 4.133 50 0 GIAARO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006790360 204206245 /nfs/dbraw/zinc/20/62/45/204206245.db2.gz PKVIUOPEBAKVQZ-HYBUGGRVSA-N 1 0 397.559 4.497 50 0 GIAARO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccc(Cl)cc1Cl ZINC000006883144 204220113 /nfs/dbraw/zinc/22/01/13/204220113.db2.gz SQWADANVTVXASS-UHFFFAOYSA-N 1 0 384.303 4.442 50 0 GIAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCC(=O)NC(C)(C)C ZINC000006857365 204216770 /nfs/dbraw/zinc/21/67/70/204216770.db2.gz YVQQVSIMLWBRNS-UHFFFAOYSA-N 1 0 378.557 4.293 50 0 GIAARO CSc1nc2c3c(sc2c(SCCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000006719800 204194119 /nfs/dbraw/zinc/19/41/19/204194119.db2.gz MZWVMQJNNLOYCP-UHFFFAOYSA-N 1 0 383.608 4.308 50 0 GIAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000006760671 204201357 /nfs/dbraw/zinc/20/13/57/204201357.db2.gz VJVPEUAHDVGLJM-UHFFFAOYSA-N 1 0 390.535 4.222 50 0 GIAARO CC[NH+]1CCN(c2nc(-c3cccc(Br)c3)nc3ccccc32)CC1 ZINC000006774086 204203382 /nfs/dbraw/zinc/20/33/82/204203382.db2.gz URWHNJMPVZSEIF-UHFFFAOYSA-N 1 0 397.320 4.201 50 0 GIAARO CC(=O)c1ccc(-c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000007990774 204258178 /nfs/dbraw/zinc/25/81/78/204258178.db2.gz LTYPKFPUKUZGGG-NRFANRHFSA-N 1 0 388.467 4.154 50 0 GIAARO C[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000007719051 204248046 /nfs/dbraw/zinc/24/80/46/204248046.db2.gz TVWQHZMPPYNJNJ-UHFFFAOYSA-N 1 0 385.511 4.287 50 0 GIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)c(OC)c1 ZINC000007741049 204248597 /nfs/dbraw/zinc/24/85/97/204248597.db2.gz DFXHDPPGJATJPZ-IBGZPJMESA-N 1 0 395.455 4.161 50 0 GIAARO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000007781762 204250010 /nfs/dbraw/zinc/25/00/10/204250010.db2.gz CYKHXVHSWACONI-UHFFFAOYSA-N 1 0 395.503 4.152 50 0 GIAARO CCOC(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+](CC)CC)c1 ZINC000007946847 204255674 /nfs/dbraw/zinc/25/56/74/204255674.db2.gz SWIUZWKATGVCQH-UHFFFAOYSA-N 1 0 383.492 4.027 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC3)[NH+]2CCCCC2)cc1 ZINC000007988426 204257634 /nfs/dbraw/zinc/25/76/34/204257634.db2.gz WXQMFUJYKUOKKQ-QHCPKHFHSA-N 1 0 378.516 4.141 50 0 GIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCn1cnc2ccccc21 ZINC000008710731 204284585 /nfs/dbraw/zinc/28/45/85/204284585.db2.gz CCNSFEVDXJJCDZ-UHFFFAOYSA-N 1 0 377.467 4.158 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(C2CC2)nc2ccccc21 ZINC000008855794 204291579 /nfs/dbraw/zinc/29/15/79/204291579.db2.gz GPOFIWNEAKUFDQ-NRFANRHFSA-N 1 0 375.472 4.272 50 0 GIAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H]1CCCO1 ZINC000008133106 204262970 /nfs/dbraw/zinc/26/29/70/204262970.db2.gz MNESJBJPZLYOQI-HXUWFJFHSA-N 1 0 381.451 4.381 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000008133307 204263346 /nfs/dbraw/zinc/26/33/46/204263346.db2.gz YGLDTAVKKMKDSL-UHFFFAOYSA-N 1 0 398.506 4.443 50 0 GIAARO Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310330 204270743 /nfs/dbraw/zinc/27/07/43/204270743.db2.gz YIQHOASRZMPPAH-HXUWFJFHSA-N 1 0 380.488 4.240 50 0 GIAARO Cc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310296 204271290 /nfs/dbraw/zinc/27/12/90/204271290.db2.gz YSWXSBAUMQGFBW-LJQANCHMSA-N 1 0 380.488 4.240 50 0 GIAARO Cc1ccc(-c2nnc([C@H](C)NCc3ccccc3C[NH+]3CCCC3)o2)cc1 ZINC000008340343 204272957 /nfs/dbraw/zinc/27/29/57/204272957.db2.gz CJDWQYLXLHYLRS-SFHVURJKSA-N 1 0 376.504 4.492 50 0 GIAARO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)C(C)C)cc1 ZINC000008429799 204276214 /nfs/dbraw/zinc/27/62/14/204276214.db2.gz IZROHGHBOJWGGT-QHCPKHFHSA-N 1 0 393.531 4.067 50 0 GIAARO C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008535061 204278801 /nfs/dbraw/zinc/27/88/01/204278801.db2.gz OCKQABSGYPBNRI-GFCCVEGCSA-N 1 0 384.701 4.152 50 0 GIAARO C[NH+]1CCN(c2ccccc2NC(=O)CCc2ccc(-c3ccccc3)o2)CC1 ZINC000009377954 204309445 /nfs/dbraw/zinc/30/94/45/204309445.db2.gz LRXQOGMEDLPMBV-UHFFFAOYSA-N 1 0 389.499 4.270 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000009579304 204317321 /nfs/dbraw/zinc/31/73/21/204317321.db2.gz BTLVZJNEVQHDKJ-NRFANRHFSA-N 1 0 381.520 4.081 50 0 GIAARO CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000010214292 204332172 /nfs/dbraw/zinc/33/21/72/204332172.db2.gz JIAGMAYYPAVKPG-NRFANRHFSA-N 1 0 391.515 4.441 50 0 GIAARO CC1(C)CC(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC(C)(C)[NH2+]1 ZINC000010404997 204335160 /nfs/dbraw/zinc/33/51/60/204335160.db2.gz RXSHSAFVKIVKPR-UHFFFAOYSA-N 1 0 393.531 4.227 50 0 GIAARO CC[NH+]1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccccc2OC)CC1 ZINC000009151170 204299836 /nfs/dbraw/zinc/29/98/36/204299836.db2.gz ZMRMVMPBJLQDOV-UHFFFAOYSA-N 1 0 397.519 4.222 50 0 GIAARO O=C(NC[C@H]1CCC[N@@H+](C2CCSCC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000011839858 204355128 /nfs/dbraw/zinc/35/51/28/204355128.db2.gz VRNYAHOVYCPFHQ-MRXNPFEDSA-N 1 0 392.996 4.095 50 0 GIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011821640 204356401 /nfs/dbraw/zinc/35/64/01/204356401.db2.gz VFVRGLYLWWBVCB-SFHVURJKSA-N 1 0 378.501 4.056 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000011844348 204357052 /nfs/dbraw/zinc/35/70/52/204357052.db2.gz RNQCLGPFXJQOIS-UHFFFAOYSA-N 1 0 399.498 4.454 50 0 GIAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000011873994 204359601 /nfs/dbraw/zinc/35/96/01/204359601.db2.gz CHXYJONXRLIRLA-HXUWFJFHSA-N 1 0 385.939 4.181 50 0 GIAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000011873995 204359977 /nfs/dbraw/zinc/35/99/77/204359977.db2.gz CHXYJONXRLIRLA-FQEVSTJZSA-N 1 0 385.939 4.181 50 0 GIAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(n2c3ccc(F)cc3nc2C2CCC2)CC1 ZINC000011911625 204360339 /nfs/dbraw/zinc/36/03/39/204360339.db2.gz GMQSSXOAKOVFCH-NRFANRHFSA-N 1 0 398.526 4.091 50 0 GIAARO CC(=O)c1cc(CC(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000011879593 204360498 /nfs/dbraw/zinc/36/04/98/204360498.db2.gz IURJFBKEUXDAJL-OAQYLSRUSA-N 1 0 398.572 4.049 50 0 GIAARO C[C@H](Cc1ccccc1F)[NH+]1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000011933630 204361797 /nfs/dbraw/zinc/36/17/97/204361797.db2.gz REONIJOXFZBDAJ-MRXNPFEDSA-N 1 0 386.515 4.275 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)cc1F ZINC000011938238 204363809 /nfs/dbraw/zinc/36/38/09/204363809.db2.gz CNRNADPASCPVCZ-GOSISDBHSA-N 1 0 393.462 4.115 50 0 GIAARO CCOc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000012022890 204367401 /nfs/dbraw/zinc/36/74/01/204367401.db2.gz SCNLTTBJWVUYSK-UHFFFAOYSA-N 1 0 384.524 4.104 50 0 GIAARO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000012031082 204367497 /nfs/dbraw/zinc/36/74/97/204367497.db2.gz CZSPWAXBDHFJTO-DEOSSOPVSA-N 1 0 378.516 4.018 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000011155056 204342417 /nfs/dbraw/zinc/34/24/17/204342417.db2.gz DYAHMRKSJKFYEJ-GOSISDBHSA-N 1 0 393.531 4.317 50 0 GIAARO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000011092910 204342572 /nfs/dbraw/zinc/34/25/72/204342572.db2.gz HJLSIHSGLKSFEG-VLIAUNLRSA-N 1 0 388.895 4.425 50 0 GIAARO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000011093675 204342932 /nfs/dbraw/zinc/34/29/32/204342932.db2.gz DURDNHKKIPNWCX-VGOFRKELSA-N 1 0 382.504 4.389 50 0 GIAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000011092904 204342967 /nfs/dbraw/zinc/34/29/67/204342967.db2.gz HJLSIHSGLKSFEG-VBKZILBWSA-N 1 0 388.895 4.425 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Br)s1 ZINC000036883665 204343141 /nfs/dbraw/zinc/34/31/41/204343141.db2.gz DUUMNFADBQVOOK-CQSZACIVSA-N 1 0 379.323 4.078 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)Nc3ccccc3)C2)cc1 ZINC000012196813 204380707 /nfs/dbraw/zinc/38/07/07/204380707.db2.gz KCEATMOPFXMNCV-FQEVSTJZSA-N 1 0 381.520 4.114 50 0 GIAARO COCCCC1CC[NH+](Cc2nc(-c3ccc(F)c(OC)c3)oc2C)CC1 ZINC000012204053 204382544 /nfs/dbraw/zinc/38/25/44/204382544.db2.gz JNIMBIDUVDPQIC-UHFFFAOYSA-N 1 0 376.472 4.436 50 0 GIAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000012297388 204390216 /nfs/dbraw/zinc/39/02/16/204390216.db2.gz BDWUKLAIWPKJAF-GOSISDBHSA-N 1 0 381.472 4.297 50 0 GIAARO CSC[C@@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000012297329 204390334 /nfs/dbraw/zinc/39/03/34/204390334.db2.gz PFZZGHMFVBMQKV-GOSISDBHSA-N 1 0 398.572 4.211 50 0 GIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000012300922 204391793 /nfs/dbraw/zinc/39/17/93/204391793.db2.gz KZAGGPABTHHEJN-GOSISDBHSA-N 1 0 375.468 4.119 50 0 GIAARO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012304020 204392461 /nfs/dbraw/zinc/39/24/61/204392461.db2.gz UVUVGMMPAJTZCS-INIZCTEOSA-N 1 0 387.911 4.375 50 0 GIAARO Cc1ccccc1C[C@]1(CO)CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012316494 204395060 /nfs/dbraw/zinc/39/50/60/204395060.db2.gz PVZTYPCEKFLPDV-XMMPIXPASA-N 1 0 375.516 4.202 50 0 GIAARO CCCn1ncc(C[NH2+][C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1C ZINC000012719059 204439401 /nfs/dbraw/zinc/43/94/01/204439401.db2.gz COLAOTSVTWXHHJ-FQEVSTJZSA-N 1 0 385.462 4.233 50 0 GIAARO Cc1ncsc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012597403 204428872 /nfs/dbraw/zinc/42/88/72/204428872.db2.gz RUGBJJSQDCEUMU-QFIPXVFZSA-N 1 0 383.561 4.012 50 0 GIAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014747877 204542623 /nfs/dbraw/zinc/54/26/23/204542623.db2.gz PQVBYKHFGZQMKK-UHFFFAOYSA-N 1 0 393.531 4.115 50 0 GIAARO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1OC(C)C ZINC000015140017 204564000 /nfs/dbraw/zinc/56/40/00/204564000.db2.gz HYRAYVHJZQYFQR-UHFFFAOYSA-N 1 0 382.504 4.008 50 0 GIAARO Cc1ccc2cc(C[NH2+]C[C@H](C)c3ccccc3)c(N3CCC(O)CC3)nc2c1 ZINC000014990892 204551617 /nfs/dbraw/zinc/55/16/17/204551617.db2.gz GQLGTURJBMIVHG-IBGZPJMESA-N 1 0 389.543 4.398 50 0 GIAARO CCC[NH+](CCC)CCNC(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 ZINC000015677683 204569902 /nfs/dbraw/zinc/56/99/02/204569902.db2.gz XFYKGNFFYFYHHC-UHFFFAOYSA-N 1 0 396.579 4.437 50 0 GIAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCCCC2)cc1 ZINC000017041142 204605445 /nfs/dbraw/zinc/60/54/45/204605445.db2.gz JUIXJUHSNRROLI-HSZRJFAPSA-N 1 0 392.499 4.387 50 0 GIAARO Cc1cccc(-n2cc(CN3CC[C@@H]([NH+](C)C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000020351207 204712449 /nfs/dbraw/zinc/71/24/49/204712449.db2.gz RAUMWFFGTZLHPO-JOCHJYFZSA-N 1 0 378.495 4.123 50 0 GIAARO Fc1ccccc1CN1CCC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000023374931 204804807 /nfs/dbraw/zinc/80/48/07/204804807.db2.gz BCQHVDZSUJRRNI-DEOSSOPVSA-N 1 0 395.566 4.087 50 0 GIAARO COc1ccc(CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027741648 204861539 /nfs/dbraw/zinc/86/15/39/204861539.db2.gz KPQNSBOPTYOMTR-QHCPKHFHSA-N 1 0 380.532 4.280 50 0 GIAARO CCc1ccc([C@@H](CNC(=O)c2nc(-c3ccccc3)oc2C)[NH+](C)C)cc1 ZINC000032983607 204935449 /nfs/dbraw/zinc/93/54/49/204935449.db2.gz XFZZGZIEFHJSIW-HXUWFJFHSA-N 1 0 377.488 4.245 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2)c1 ZINC000036098512 205005498 /nfs/dbraw/zinc/00/54/98/205005498.db2.gz XCUABDRRDHRKEW-JOCHJYFZSA-N 1 0 395.474 4.276 50 0 GIAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099022 205006197 /nfs/dbraw/zinc/00/61/97/205006197.db2.gz ZABMFINZWNWVCH-JOCHJYFZSA-N 1 0 387.495 4.149 50 0 GIAARO COCCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036097412 205006287 /nfs/dbraw/zinc/00/62/87/205006287.db2.gz WMQDUBRVBGZXGU-OAQYLSRUSA-N 1 0 391.939 4.235 50 0 GIAARO CC1CC[NH+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000036341284 205010549 /nfs/dbraw/zinc/01/05/49/205010549.db2.gz FGAYLZNDSFPBHV-JOCHJYFZSA-N 1 0 397.469 4.374 50 0 GIAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@H](c3ccccc3C)C2)cc1C ZINC000036344873 205010648 /nfs/dbraw/zinc/01/06/48/205010648.db2.gz HGYCLAQCJQHKHO-QHCPKHFHSA-N 1 0 375.516 4.385 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559871 204994488 /nfs/dbraw/zinc/99/44/88/204994488.db2.gz OALUEDPDPWWQBQ-UHFFFAOYSA-N 1 0 398.938 4.200 50 0 GIAARO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)o2)c1 ZINC000036392723 205016403 /nfs/dbraw/zinc/01/64/03/205016403.db2.gz RJNZOEHTMMEVHE-MJGOQNOKSA-N 1 0 390.487 4.457 50 0 GIAARO Cc1ccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCCC3)CC2)cc1 ZINC000037554729 205028435 /nfs/dbraw/zinc/02/84/35/205028435.db2.gz ZGEYVDUYVQIMEU-UHFFFAOYSA-N 1 0 377.532 4.314 50 0 GIAARO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cnc(N(C)C)s2)cc1C ZINC000039500540 205042683 /nfs/dbraw/zinc/04/26/83/205042683.db2.gz YNQPWBUKAGWZKW-IBGZPJMESA-N 1 0 381.549 4.179 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000040069044 205048956 /nfs/dbraw/zinc/04/89/56/205048956.db2.gz BYSUTXNGJCUHIW-OAHLLOKOSA-N 1 0 375.463 4.367 50 0 GIAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000040107099 205052236 /nfs/dbraw/zinc/05/22/36/205052236.db2.gz MDUBIFMDGGDRLQ-GOSISDBHSA-N 1 0 375.516 4.259 50 0 GIAARO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)n1cnc2ccccc21 ZINC000040112360 205053805 /nfs/dbraw/zinc/05/38/05/205053805.db2.gz LSACSXOEQFENOL-RTBURBONSA-N 1 0 390.531 4.288 50 0 GIAARO CCCCOCCC[NH2+]Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040732893 205068888 /nfs/dbraw/zinc/06/88/88/205068888.db2.gz GAQLNISBPJQIIT-UHFFFAOYSA-N 1 0 384.520 4.309 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000040732130 205069125 /nfs/dbraw/zinc/06/91/25/205069125.db2.gz NEUVDHJZALPOTM-UHFFFAOYSA-N 1 0 390.886 4.160 50 0 GIAARO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1cccc(C)c1 ZINC000040722264 205069298 /nfs/dbraw/zinc/06/92/98/205069298.db2.gz FGUGCQONYSXZIB-QFIPXVFZSA-N 1 0 377.484 4.406 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000040732325 205069504 /nfs/dbraw/zinc/06/95/04/205069504.db2.gz CUYYEMZIQHSWMO-UHFFFAOYSA-N 1 0 390.886 4.160 50 0 GIAARO COc1cccc(C[NH2+]Cc2ccccc2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734551 205069513 /nfs/dbraw/zinc/06/95/13/205069513.db2.gz JNVYIYBRGQMGIN-UHFFFAOYSA-N 1 0 390.483 4.311 50 0 GIAARO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856861 205088369 /nfs/dbraw/zinc/08/83/69/205088369.db2.gz HTGZCAZOMNFMEU-FQEVSTJZSA-N 1 0 382.504 4.181 50 0 GIAARO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000299739494 205091493 /nfs/dbraw/zinc/09/14/93/205091493.db2.gz PFOFOCJUGBUIIO-BXUZGUMPSA-N 1 0 397.466 4.337 50 0 GIAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040737993 205071117 /nfs/dbraw/zinc/07/11/17/205071117.db2.gz AAPXBLKGFSLMFL-UHFFFAOYSA-N 1 0 394.471 4.294 50 0 GIAARO CCOc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040742025 205071465 /nfs/dbraw/zinc/07/14/65/205071465.db2.gz AAKQMXOODSBPFK-UHFFFAOYSA-N 1 0 388.266 4.192 50 0 GIAARO C[C@H]1CCC[N@H+](CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000046990604 205107841 /nfs/dbraw/zinc/10/78/41/205107841.db2.gz WOUPCGWMJINSDO-INIZCTEOSA-N 1 0 393.369 4.109 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2cnco2)cc1)c1cccc(OC)c1 ZINC000047827264 205110884 /nfs/dbraw/zinc/11/08/84/205110884.db2.gz CKTMHXXKSCWTKB-NRFANRHFSA-N 1 0 393.487 4.163 50 0 GIAARO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000047659363 205111309 /nfs/dbraw/zinc/11/13/09/205111309.db2.gz BHTXAQBLCCEEOQ-UHFFFAOYSA-N 1 0 393.531 4.162 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccsc1 ZINC000048326777 205120192 /nfs/dbraw/zinc/12/01/92/205120192.db2.gz QJXPGJHILIROAE-HXUWFJFHSA-N 1 0 384.549 4.147 50 0 GIAARO Cc1ccccc1C[NH2+][C@H]1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)C1 ZINC000049420996 205126706 /nfs/dbraw/zinc/12/67/06/205126706.db2.gz HBWNEEQVGWFNOW-QFIPXVFZSA-N 1 0 386.499 4.011 50 0 GIAARO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1cc(Cl)ccc1F ZINC000054318427 205139127 /nfs/dbraw/zinc/13/91/27/205139127.db2.gz HIHBGXCSDYZZMK-UHFFFAOYSA-N 1 0 381.923 4.006 50 0 GIAARO Cc1cccc(-c2ncc(C[N@H+]3CCC[C@@H](c4nc(CC(C)C)no4)C3)cn2)c1 ZINC000055327104 205147520 /nfs/dbraw/zinc/14/75/20/205147520.db2.gz NAIYMQYVMVVHMN-HXUWFJFHSA-N 1 0 391.519 4.413 50 0 GIAARO Cc1cccc(-c2ncc(C[NH2+]C[C@]3(c4ccc(F)cc4)CCOC3)cn2)c1 ZINC000055326878 205147812 /nfs/dbraw/zinc/14/78/12/205147812.db2.gz YOJZVMWXSVDHGB-HSZRJFAPSA-N 1 0 377.463 4.039 50 0 GIAARO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000057315486 205156366 /nfs/dbraw/zinc/15/63/66/205156366.db2.gz CWLVUYJERTXOHU-NSHDSACASA-N 1 0 380.897 4.094 50 0 GIAARO FC(F)(F)c1ccccc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000063551426 205186039 /nfs/dbraw/zinc/18/60/39/205186039.db2.gz URZSXZWURCTBDN-UHFFFAOYSA-N 1 0 393.405 4.272 50 0 GIAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000063694059 205187805 /nfs/dbraw/zinc/18/78/05/205187805.db2.gz LBTQCUUWDXPFGP-LJQANCHMSA-N 1 0 382.504 4.094 50 0 GIAARO Oc1cccc(C[N@@H+](Cc2ccc(Br)cc2)C2CCC(O)CC2)c1 ZINC000058265148 205171781 /nfs/dbraw/zinc/17/17/81/205171781.db2.gz YWCWLCMCADTMTL-UHFFFAOYSA-N 1 0 390.321 4.460 50 0 GIAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)c1 ZINC000059955606 205180525 /nfs/dbraw/zinc/18/05/25/205180525.db2.gz LWCABGZAOJAOMK-GOSISDBHSA-N 1 0 379.460 4.105 50 0 GIAARO CCn1c(C)c(C[NH+]2CCC(C(=O)NCc3ccco3)CC2)c2ccccc21 ZINC000065060118 205208972 /nfs/dbraw/zinc/20/89/72/205208972.db2.gz XZBAVMNHMUTGNH-UHFFFAOYSA-N 1 0 379.504 4.091 50 0 GIAARO O=C(NCc1ccccc1C(F)(F)F)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818090 205196574 /nfs/dbraw/zinc/19/65/74/205196574.db2.gz FWIXPBXKDFPLOP-UHFFFAOYSA-N 1 0 392.396 4.293 50 0 GIAARO c1csc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)c1 ZINC000065255059 205223698 /nfs/dbraw/zinc/22/36/98/205223698.db2.gz GTWYURGYEQJJAG-UHFFFAOYSA-N 1 0 379.489 4.301 50 0 GIAARO Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NC3(CC[NH+](C)CC3)N2)cc1 ZINC000065298488 205227491 /nfs/dbraw/zinc/22/74/91/205227491.db2.gz YULVUEKYHJTERO-IBGZPJMESA-N 1 0 383.923 4.300 50 0 GIAARO OCC1CC[NH+](CCn2cnc(-c3ccccc3)c2CCc2ccccc2)CC1 ZINC000065395521 205233379 /nfs/dbraw/zinc/23/33/79/205233379.db2.gz GMICOACAKHGSQV-UHFFFAOYSA-N 1 0 389.543 4.040 50 0 GIAARO CC[N@@H+]1CCC[C@@](C(=O)Nc2cc(OC)cc(OC)c2)(c2ccccc2)CC1 ZINC000065226064 205220171 /nfs/dbraw/zinc/22/01/71/205220171.db2.gz RYPGUIUDYWPQER-QHCPKHFHSA-N 1 0 382.504 4.086 50 0 GIAARO O=C(c1ccc(Oc2ccc(C[NH+]3CCCC3)cc2F)nc1)N1CCCCC1 ZINC000067789951 205260739 /nfs/dbraw/zinc/26/07/39/205260739.db2.gz XUAADLJJTTWGGQ-UHFFFAOYSA-N 1 0 383.467 4.235 50 0 GIAARO Fc1ccc(N2CC[C@H](C[NH2+]Cc3csc(-c4ccco4)n3)C2)cc1F ZINC000069068724 205272594 /nfs/dbraw/zinc/27/25/94/205272594.db2.gz GPWBAWBDXKNLEM-CYBMUJFWSA-N 1 0 375.444 4.297 50 0 GIAARO Cc1cc(C)n2ncc(C[NH+]3CCC(c4n[nH]cc4-c4ccccc4)CC3)c2n1 ZINC000067431877 205247380 /nfs/dbraw/zinc/24/73/80/205247380.db2.gz AEQQWXUJZACKJH-UHFFFAOYSA-N 1 0 386.503 4.116 50 0 GIAARO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CCN(C2CC[NH+](C)CC2)C1 ZINC000071294925 205280482 /nfs/dbraw/zinc/28/04/82/205280482.db2.gz ZVMAXLHJDKBSDN-UHFFFAOYSA-N 1 0 388.559 4.040 50 0 GIAARO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)ccc1O ZINC000071711926 205287085 /nfs/dbraw/zinc/28/70/85/205287085.db2.gz ORZRFDLHEAOKPI-OAQYLSRUSA-N 1 0 384.495 4.212 50 0 GIAARO Cc1c(O)cccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071750697 205291478 /nfs/dbraw/zinc/29/14/78/205291478.db2.gz UPPYEDZMKNFILA-NRFANRHFSA-N 1 0 384.495 4.212 50 0 GIAARO Cc1cccc(NC(=O)N[C@H]2CN(C)c3ccccc3C(c3ccccc3)=[NH+]2)c1 ZINC000071773447 205297356 /nfs/dbraw/zinc/29/73/56/205297356.db2.gz LIVVMCBMGZZRRY-QFIPXVFZSA-N 1 0 384.483 4.430 50 0 GIAARO CC(C)[C@H]1CN(C(=O)c2cncc(Cl)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072148238 205311336 /nfs/dbraw/zinc/31/13/36/205311336.db2.gz FTODYURYYWRILL-HXUWFJFHSA-N 1 0 389.902 4.247 50 0 GIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@H]2CCCO2)c1 ZINC000072429332 205350227 /nfs/dbraw/zinc/35/02/27/205350227.db2.gz RURBOIFQBRUOPX-JOCHJYFZSA-N 1 0 377.488 4.159 50 0 GIAARO CN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000072435223 205350440 /nfs/dbraw/zinc/35/04/40/205350440.db2.gz LGRCBRYWLMBKCS-HXUWFJFHSA-N 1 0 376.504 4.015 50 0 GIAARO COc1ccc(Cc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)cc1 ZINC000072447507 205353066 /nfs/dbraw/zinc/35/30/66/205353066.db2.gz LHWALUOXCQPKNE-UHFFFAOYSA-N 1 0 393.918 4.399 50 0 GIAARO CN(Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000072457389 205353157 /nfs/dbraw/zinc/35/31/57/205353157.db2.gz FZYJMLBWFIIACQ-LJQANCHMSA-N 1 0 398.913 4.468 50 0 GIAARO Cc1cccc(-n2cc(CN(C)[C@H]3CC[N@H+](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072470008 205353872 /nfs/dbraw/zinc/35/38/72/205353872.db2.gz GRPWEGBQWMIHTR-QFIPXVFZSA-N 1 0 378.495 4.123 50 0 GIAARO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@@H+]3CCC[C@H](O)C3)cc12 ZINC000072424581 205349144 /nfs/dbraw/zinc/34/91/44/205349144.db2.gz DRWLUANKPCKQMZ-IBGZPJMESA-N 1 0 392.499 4.184 50 0 GIAARO Cc1cccc(-c2nc3cc4c(cc3cc2CN2CCC[N@@H+](C)CC2)OCO4)c1 ZINC000072421153 205349714 /nfs/dbraw/zinc/34/97/14/205349714.db2.gz OWZMRTLEDAOPJP-UHFFFAOYSA-N 1 0 389.499 4.076 50 0 GIAARO O=C(Cc1ccc2c(c1)CCCC2)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000078648401 205375391 /nfs/dbraw/zinc/37/53/91/205375391.db2.gz UXNFLJRBWWOOQR-UHFFFAOYSA-N 1 0 380.507 4.028 50 0 GIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000079192094 205382783 /nfs/dbraw/zinc/38/27/83/205382783.db2.gz KBACKDWBFWWHPL-FDDCHVKYSA-N 1 0 379.548 4.431 50 0 GIAARO CC(C)c1nnc2n1CC[N@@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000082039551 205385457 /nfs/dbraw/zinc/38/54/57/205385457.db2.gz WCZPESIYJPJKFH-UHFFFAOYSA-N 1 0 375.520 4.228 50 0 GIAARO Cc1nc2cc(NC(=O)c3ccc4ccn(C)c4c3)ccc2n1CCC[NH+](C)C ZINC000095473471 205465036 /nfs/dbraw/zinc/46/50/36/205465036.db2.gz IBBINRTYYQFMJK-UHFFFAOYSA-N 1 0 389.503 4.040 50 0 GIAARO C[NH2+]C1CCN(C(=O)c2ccccc2Oc2cccc(Br)c2)CC1 ZINC000237139353 205671198 /nfs/dbraw/zinc/67/11/98/205671198.db2.gz AUJZDVSOJCCNOJ-UHFFFAOYSA-N 1 0 389.293 4.065 50 0 GIAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)/C=C/c3ccccc3)nc21 ZINC000005122360 205762636 /nfs/dbraw/zinc/76/26/36/205762636.db2.gz GKGUWXOBTGXEAF-BUHFOSPRSA-N 1 0 395.528 4.303 50 0 GIAARO C[C@H](Sc1ccccn1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000170657602 205860243 /nfs/dbraw/zinc/86/02/43/205860243.db2.gz URHIZMLCTGUNDV-SFHVURJKSA-N 1 0 383.561 4.111 50 0 GIAARO CCOc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000023127989 205972272 /nfs/dbraw/zinc/97/22/72/205972272.db2.gz OEOIHWFBRXADAN-UHFFFAOYSA-N 1 0 396.531 4.126 50 0 GIAARO C[C@@H]([NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1Br ZINC000225405882 206045411 /nfs/dbraw/zinc/04/54/11/206045411.db2.gz HCIFQZKYVSRCMR-CHWSQXEVSA-N 1 0 383.330 4.355 50 0 GIAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)C1CN(C(=O)OC(C)(C)C)C1 ZINC000225405962 206046394 /nfs/dbraw/zinc/04/63/94/206046394.db2.gz HCIFQZKYVSRCMR-OLZOCXBDSA-N 1 0 383.330 4.355 50 0 GIAARO CC(C)C[NH+]1CCC(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000225417922 206047915 /nfs/dbraw/zinc/04/79/15/206047915.db2.gz MPCVKICIMDIPOO-UHFFFAOYSA-N 1 0 377.488 4.345 50 0 GIAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000032915994 206096136 /nfs/dbraw/zinc/09/61/36/206096136.db2.gz VERGMTJWBGSBGA-DLENHJPASA-N 1 0 397.950 4.070 50 0 GIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)CSC2CCCC2)CC1 ZINC000096025882 206113706 /nfs/dbraw/zinc/11/37/06/206113706.db2.gz JSXBIIACRAUCJJ-UHFFFAOYSA-N 1 0 392.634 4.413 50 0 GIAARO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000097981897 206123862 /nfs/dbraw/zinc/12/38/62/206123862.db2.gz SGGOBHJRLFOLBX-ZDUSSCGKSA-N 1 0 395.728 4.112 50 0 GIAARO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000097981898 206124717 /nfs/dbraw/zinc/12/47/17/206124717.db2.gz SGGOBHJRLFOLBX-CYBMUJFWSA-N 1 0 395.728 4.112 50 0 GIAARO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)C1(C)C ZINC000239653736 206125216 /nfs/dbraw/zinc/12/52/16/206125216.db2.gz BKYZYPKGXQTQJP-CHWSQXEVSA-N 1 0 398.301 4.166 50 0 GIAARO C[N@H+](CCSc1nnc(C2CC2)n1Cc1ccccc1)Cc1ccccc1 ZINC000241435190 206126192 /nfs/dbraw/zinc/12/61/92/206126192.db2.gz NLMXTHIOZUWCOF-UHFFFAOYSA-N 1 0 378.545 4.428 50 0 GIAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCC(Cc2cccnc2)CC1 ZINC000299798464 206191476 /nfs/dbraw/zinc/19/14/76/206191476.db2.gz SKMOLOZVWPKLGX-VXNXHJTFSA-N 1 0 389.543 4.088 50 0 GIAARO c1ccc([C@@H]2C[C@H](c3noc(-c4ccc5c(c4)OCO5)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299803189 206193057 /nfs/dbraw/zinc/19/30/57/206193057.db2.gz ZPTAKKXFECAZAH-KSZLIROESA-N 1 0 375.428 4.158 50 0 GIAARO COc1ccc(-c2nc(C[N@H+](CC3CC3)C[C@H]3CCCO3)c(C)o2)c(OC)c1 ZINC000039429904 206193735 /nfs/dbraw/zinc/19/37/35/206193735.db2.gz PLHBQRDYHJOIEO-GOSISDBHSA-N 1 0 386.492 4.058 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc1O ZINC000012075033 221148256 /nfs/dbraw/zinc/14/82/56/221148256.db2.gz HZSBECXDIMUALM-SFHVURJKSA-N 1 0 383.488 4.121 50 0 GIAARO c1[nH]nc(C2CCCCC2)c1C[N@@H+]1CCCC12CCN(c1ccccn1)CC2 ZINC000072425609 136169890 /nfs/dbraw/zinc/16/98/90/136169890.db2.gz UXUMOOUAPGDKMT-UHFFFAOYSA-N 1 0 379.552 4.487 50 0 GIAARO C[NH+](C)CCn1ccnc1C1CCN(c2ccc3cc(Cl)ccc3n2)CC1 ZINC000095506176 136180067 /nfs/dbraw/zinc/18/00/67/136180067.db2.gz ARYUKLJRBLUZGD-UHFFFAOYSA-N 1 0 383.927 4.030 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2cccc(F)c2)nc1 ZINC000064668994 222078546 /nfs/dbraw/zinc/07/85/46/222078546.db2.gz NQZYOQIMTNAXJE-UHFFFAOYSA-N 1 0 389.474 4.282 50 0 GIAARO COc1cc(F)c(-c2c(-c3ccccc3)ncn2CC[NH+]2CCCC2)cc1OC ZINC000065457544 222130217 /nfs/dbraw/zinc/13/02/17/222130217.db2.gz VUNYHCNUUHPKEW-UHFFFAOYSA-N 1 0 395.478 4.469 50 0 GIAARO CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C12CCCC2 ZINC000239653730 520362670 /nfs/dbraw/zinc/36/26/70/520362670.db2.gz BKYFUIGYLYFVDF-BMSWRWNDSA-N 1 0 378.557 4.244 50 0 GIAARO CCOC(=O)/C=C/c1ccc(N[N+](=O)c2ccc(/C=C/C(=O)OCC)cc2)cc1 ZINC000256166650 520401021 /nfs/dbraw/zinc/40/10/21/520401021.db2.gz CBLCNQSQQWICQM-MHWRWJLKSA-O 1 0 395.435 4.277 50 0 GIAARO O=C(NCc1cccnc1OC1CCCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000058059511 526771478 /nfs/dbraw/zinc/77/14/78/526771478.db2.gz WQIYITOEQHVQKW-UHFFFAOYSA-N 1 0 394.519 4.321 50 0 GIAARO CC(C)(C[NH2+]C1CCN(c2ccc(-c3cscn3)cc2)CC1)N1CCCC1 ZINC000064166249 535147240 /nfs/dbraw/zinc/14/72/40/535147240.db2.gz HDNKYAWSTYOPAE-UHFFFAOYSA-N 1 0 384.593 4.243 50 0 GIAARO CCCc1cnc(C)nc1N1CCC([NH2+][C@H](C)c2nc3cc(C)ccc3[nH]2)CC1 ZINC000095388906 535437002 /nfs/dbraw/zinc/43/70/02/535437002.db2.gz AYBWPNXBDSKQEV-MRXNPFEDSA-N 1 0 392.551 4.242 50 0 GIAARO CC[NH+]1CCN(CC2=CC(C)(C)N(C(=O)c3ccccc3)c3ccccc32)CC1 ZINC000169681391 535674986 /nfs/dbraw/zinc/67/49/86/535674986.db2.gz HBKCVEFBDIZLEZ-UHFFFAOYSA-N 1 0 389.543 4.147 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000040103951 535754463 /nfs/dbraw/zinc/75/44/63/535754463.db2.gz NGZSPROYOOUMPZ-QGZVFWFLSA-N 1 0 384.499 4.193 50 0 GIAARO CCOc1ccc(-n2nc3c(c2C)c(C)nnc3SCC[NH+]2CCCC2)cc1 ZINC000000642653 570213596 /nfs/dbraw/zinc/21/35/96/570213596.db2.gz YVEXVFVRGDSMHQ-UHFFFAOYSA-N 1 0 397.548 4.019 50 0 GIAARO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC000019774349 570218007 /nfs/dbraw/zinc/21/80/07/570218007.db2.gz AOGKAOUCTAPNMX-HXUWFJFHSA-N 1 0 381.486 4.234 50 0 GIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cnc(C)cc3C)CC2)C1 ZINC000096180507 570218819 /nfs/dbraw/zinc/21/88/19/570218819.db2.gz RGKFSJQWOMHLDI-QFIPXVFZSA-N 1 0 391.559 4.430 50 0 GIAARO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCc2ccccc2C1 ZINC000019812053 570221087 /nfs/dbraw/zinc/22/10/87/570221087.db2.gz PRRMPCMPCZIXTN-UHFFFAOYSA-N 1 0 382.507 4.443 50 0 GIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(N3CCc4ccccc43)s2)C1 ZINC000015732278 570223437 /nfs/dbraw/zinc/22/34/37/570223437.db2.gz WQTFUNSXKDMFPS-QGZVFWFLSA-N 1 0 383.561 4.294 50 0 GIAARO O=C(Nc1ccccc1SCC(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000048324820 570235733 /nfs/dbraw/zinc/23/57/33/570235733.db2.gz VZPYOYZRHHWPQL-CQSZACIVSA-N 1 0 387.471 4.433 50 0 GIAARO COc1ccc(-c2noc(NCC3CC[NH+](Cc4ccccc4C)CC3)n2)cc1 ZINC000015770792 570240320 /nfs/dbraw/zinc/24/03/20/570240320.db2.gz IEVMKKMJOIVKJL-UHFFFAOYSA-N 1 0 392.503 4.378 50 0 GIAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)cc1F ZINC000015772725 570240878 /nfs/dbraw/zinc/24/08/78/570240878.db2.gz SPYHASKNPVDZFI-UHFFFAOYSA-N 1 0 396.441 4.178 50 0 GIAARO Cc1cccc(C[C@H](C)[NH2+]Cc2ccc(-c3ccn(CC(F)F)n3)s2)n1 ZINC000020119711 570241285 /nfs/dbraw/zinc/24/12/85/570241285.db2.gz CLNOBMDTRMLDIU-AWEZNQCLSA-N 1 0 376.476 4.301 50 0 GIAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000020212096 570248662 /nfs/dbraw/zinc/24/86/62/570248662.db2.gz FUYNFWCQALOYBN-NRFANRHFSA-N 1 0 399.966 4.135 50 0 GIAARO C[NH+](C)C1(CNC(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CCOCC1 ZINC000097813694 570256994 /nfs/dbraw/zinc/25/69/94/570256994.db2.gz UJDIINNDJDWGMG-UHFFFAOYSA-N 1 0 387.911 4.239 50 0 GIAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCC34CC5CC(CC(C5)C3)C4)C2=O)c(C)c1 ZINC000020478054 570261468 /nfs/dbraw/zinc/26/14/68/570261468.db2.gz WXCIDYXAKIODNC-WNZYQOIOSA-N 1 0 380.532 4.131 50 0 GIAARO C/C=C/c1ccc(OCCCN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000020482210 570261850 /nfs/dbraw/zinc/26/18/50/570261850.db2.gz RVWGEPAKEOPMKL-FPYGCLRLSA-N 1 0 380.532 4.315 50 0 GIAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)Nc2ccccc2)CC1 ZINC000001399590 570261931 /nfs/dbraw/zinc/26/19/31/570261931.db2.gz SMUUVKIPEMSGIG-UHFFFAOYSA-N 1 0 378.398 4.101 50 0 GIAARO O=C(c1c(Cl)cccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020508680 570264744 /nfs/dbraw/zinc/26/47/44/570264744.db2.gz OUTTXMCIYYSXMU-VMPITWQZSA-N 1 0 375.299 4.465 50 0 GIAARO CC(C)N1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000020514659 570264838 /nfs/dbraw/zinc/26/48/38/570264838.db2.gz GCGLEWATFRVLAL-KRWDZBQOSA-N 1 0 382.470 4.473 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc2cc(F)ccc2[nH]1 ZINC000012849169 570265551 /nfs/dbraw/zinc/26/55/51/570265551.db2.gz WNSVWDRVDBMDMG-UHFFFAOYSA-N 1 0 385.870 4.355 50 0 GIAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)COc1ccc(Cl)cc1Cl ZINC000002180657 570277445 /nfs/dbraw/zinc/27/74/45/570277445.db2.gz WXMUZYHQKYNBOO-AWEZNQCLSA-N 1 0 382.287 4.436 50 0 GIAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1cccc(-c2nc(C(F)(F)F)cc(=O)[nH]2)c1 ZINC000020774465 570279880 /nfs/dbraw/zinc/27/98/80/570279880.db2.gz GZJNKRHIPQQPLI-INIZCTEOSA-N 1 0 395.425 4.259 50 0 GIAARO Cc1ccccc1-c1cccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)c1 ZINC000020920466 570284855 /nfs/dbraw/zinc/28/48/55/570284855.db2.gz SGJHOCWINAWNOD-QFIPXVFZSA-N 1 0 388.515 4.163 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1OC ZINC000021719935 570294873 /nfs/dbraw/zinc/29/48/73/570294873.db2.gz VOCJPGXBMUBZCN-KRWDZBQOSA-N 1 0 382.464 4.036 50 0 GIAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCC3)n2CCc2ccccc2)s1 ZINC000034680329 570299466 /nfs/dbraw/zinc/29/94/66/570299466.db2.gz DBQIPXLDZUFGEY-UHFFFAOYSA-N 1 0 381.545 4.080 50 0 GIAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000034682933 570300641 /nfs/dbraw/zinc/30/06/41/570300641.db2.gz PKLPKSGXICSMTP-UHFFFAOYSA-N 1 0 396.531 4.420 50 0 GIAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](OCc3ccccn3)C2)c1 ZINC000216530752 570303070 /nfs/dbraw/zinc/30/30/70/570303070.db2.gz IDNXWKQSHHOUAU-OAQYLSRUSA-N 1 0 376.504 4.270 50 0 GIAARO CCC[NH+]1CCC(NC(=S)Nc2ccc(Br)cc2Cl)CC1 ZINC000002855479 570309725 /nfs/dbraw/zinc/30/97/25/570309725.db2.gz MMXDWVZCGMKADK-UHFFFAOYSA-N 1 0 390.778 4.263 50 0 GIAARO COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(F)cc1Cl ZINC000002874811 570314498 /nfs/dbraw/zinc/31/44/98/570314498.db2.gz ISJAYBNGYSGENB-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO COc1c(Cl)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000002878097 570315264 /nfs/dbraw/zinc/31/52/64/570315264.db2.gz XROUDOYPFMXUOW-UHFFFAOYSA-N 1 0 394.302 4.006 50 0 GIAARO CC(C)N1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249601541 570319507 /nfs/dbraw/zinc/31/95/07/570319507.db2.gz OKPAGAZJCKTTAH-RBUKOAKNSA-N 1 0 393.938 4.139 50 0 GIAARO COc1cccc([C@H](CNC(=O)CCc2ccc(-c3ccccc3)o2)[NH+](C)C)c1 ZINC000022683350 570324576 /nfs/dbraw/zinc/32/45/76/570324576.db2.gz AZJDCRVUEDTOOR-QFIPXVFZSA-N 1 0 392.499 4.307 50 0 GIAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000022817087 570329880 /nfs/dbraw/zinc/32/98/80/570329880.db2.gz KBXCPOPJIWUPLM-ZDUSSCGKSA-N 1 0 386.970 4.283 50 0 GIAARO COc1cccc(C[NH2+]CCOc2ccccn2)c1OCc1ccccc1C ZINC000113395470 570331016 /nfs/dbraw/zinc/33/10/16/570331016.db2.gz MJAOEAZTPRNXNP-UHFFFAOYSA-N 1 0 378.472 4.146 50 0 GIAARO COc1cccc(C[NH2+]CCCOc2ccccn2)c1OCc1ccc(F)cc1 ZINC000113397066 570331341 /nfs/dbraw/zinc/33/13/41/570331341.db2.gz WGPRURIHSGNFIT-UHFFFAOYSA-N 1 0 396.462 4.367 50 0 GIAARO CCOc1cccc(CNC[C@@H]2CCC[N@@H+]2CC)c1OCc1ccccc1F ZINC000022936973 570338555 /nfs/dbraw/zinc/33/85/55/570338555.db2.gz YPSKILPOOMOMSE-FQEVSTJZSA-N 1 0 386.511 4.377 50 0 GIAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000237343883 570345512 /nfs/dbraw/zinc/34/55/12/570345512.db2.gz IUGXBDUSQGCUDN-NEPJUHHUSA-N 1 0 398.359 4.245 50 0 GIAARO COc1ccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc1C ZINC000023283587 570353830 /nfs/dbraw/zinc/35/38/30/570353830.db2.gz AYEKZGFODCIQLN-UHFFFAOYSA-N 1 0 390.321 4.250 50 0 GIAARO c1coc(-c2ccc(N3CCC([NH2+]Cc4cn5ccsc5n4)CC3)cc2)c1 ZINC000023340580 570355896 /nfs/dbraw/zinc/35/58/96/570355896.db2.gz CIBMNKPLXMLAKG-UHFFFAOYSA-N 1 0 378.501 4.414 50 0 GIAARO COc1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000390826655 570356944 /nfs/dbraw/zinc/35/69/44/570356944.db2.gz OFDGNZYVSUEVPS-XHIHJMKYSA-N 1 0 381.520 4.122 50 0 GIAARO Fc1cccc(-c2noc3c2CN([C@H]2CC[N@H+](Cc4ccccc4)C2)CC3)c1 ZINC000023375221 570359115 /nfs/dbraw/zinc/35/91/15/570359115.db2.gz RDSSKPQNTDOJPT-FQEVSTJZSA-N 1 0 377.463 4.113 50 0 GIAARO Cc1ccc(-c2cccc(N3CCC([NH2+][C@@H](C)c4nncn4C)CC3)c2)cc1 ZINC000023543113 570365169 /nfs/dbraw/zinc/36/51/69/570365169.db2.gz WSCOELOQDVNSLJ-SFHVURJKSA-N 1 0 375.520 4.110 50 0 GIAARO COc1cccc2cc(C(=O)NC[C@H](c3cc4ccccc4o3)[NH+](C)C)oc21 ZINC000575621686 570370555 /nfs/dbraw/zinc/37/05/55/570370555.db2.gz QZQRJJHIYFEQDO-MRXNPFEDSA-N 1 0 378.428 4.220 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1csc2ccccc21 ZINC000575621778 570370617 /nfs/dbraw/zinc/37/06/17/570370617.db2.gz UHHZQJQTEFHTMI-IBGZPJMESA-N 1 0 382.504 4.491 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc2cccnc21 ZINC000024276365 570381536 /nfs/dbraw/zinc/38/15/36/570381536.db2.gz HAXIFMGUBYCVCC-UHFFFAOYSA-N 1 0 379.891 4.283 50 0 GIAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(F)cc1F ZINC000024984267 570401469 /nfs/dbraw/zinc/40/14/69/570401469.db2.gz XNJCPMRFHQNOIV-UHFFFAOYSA-N 1 0 388.414 4.077 50 0 GIAARO Cc1cccc(C)c1-n1nnnc1C1([NH2+]CCc2ccccc2)CCCCC1 ZINC000035622162 570403933 /nfs/dbraw/zinc/40/39/33/570403933.db2.gz AYBGJDZDERDSEI-UHFFFAOYSA-N 1 0 375.520 4.271 50 0 GIAARO COc1ccc(NC(=O)[C@H](NCCC[NH+]2CCC(C)CC2)c2ccccc2)cc1 ZINC000025210908 570408127 /nfs/dbraw/zinc/40/81/27/570408127.db2.gz BOTGNHPHVCCKGW-HSZRJFAPSA-N 1 0 395.547 4.087 50 0 GIAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025329905 570410986 /nfs/dbraw/zinc/41/09/86/570410986.db2.gz WWXAMOBVFAQHOO-ABAIWWIYSA-N 1 0 387.332 4.241 50 0 GIAARO Cc1nc(-c2cccs2)sc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025330823 570411278 /nfs/dbraw/zinc/41/12/78/570411278.db2.gz PFSWJBUHHYTTQL-CYBMUJFWSA-N 1 0 377.560 4.274 50 0 GIAARO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C)n1Cc1ccco1 ZINC000025451799 570414022 /nfs/dbraw/zinc/41/40/22/570414022.db2.gz BETQPHHOOGGKAV-NRFANRHFSA-N 1 0 395.503 4.296 50 0 GIAARO C[C@H](Sc1ccc(F)cc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026883350 570429654 /nfs/dbraw/zinc/42/96/54/570429654.db2.gz GYGBLAPDQRJKRR-HNNXBMFYSA-N 1 0 390.499 4.226 50 0 GIAARO CCCC[N@H+](CC)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000027272998 570432819 /nfs/dbraw/zinc/43/28/19/570432819.db2.gz IWPWXSUHDZITBX-UHFFFAOYSA-N 1 0 384.520 4.031 50 0 GIAARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027584422 570436975 /nfs/dbraw/zinc/43/69/75/570436975.db2.gz ALTYNEBCACOOQL-NRFANRHFSA-N 1 0 396.531 4.116 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000027741201 570440841 /nfs/dbraw/zinc/44/08/41/570440841.db2.gz ULSIMFIOEDHACD-MRXNPFEDSA-N 1 0 393.350 4.468 50 0 GIAARO Cc1cc(C)cc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027746785 570441682 /nfs/dbraw/zinc/44/16/82/570441682.db2.gz OXSVDMPOFDIVGU-HXUWFJFHSA-N 1 0 386.561 4.477 50 0 GIAARO O=C(COc1ccccc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027749345 570442120 /nfs/dbraw/zinc/44/21/20/570442120.db2.gz JFFKKIAXJUDTMM-NRFANRHFSA-N 1 0 386.923 4.452 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2ccccc2OC)[NH+]2CCCCCC2)cc1 ZINC000027793753 570442878 /nfs/dbraw/zinc/44/28/78/570442878.db2.gz KUNMZHQKPFZLDA-OAQYLSRUSA-N 1 0 382.504 4.051 50 0 GIAARO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc4cc(OC)ccc4c3)C2)c1 ZINC000089470172 570455024 /nfs/dbraw/zinc/45/50/24/570455024.db2.gz LJKMWWHHLAPFRT-LJQANCHMSA-N 1 0 376.500 4.473 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc2ccccc2c1 ZINC000006509713 570461851 /nfs/dbraw/zinc/46/18/51/570461851.db2.gz BGOUJACGWBNQQD-GMAHTHKFSA-N 1 0 392.524 4.145 50 0 GIAARO CCOC(=O)c1sc(NC(=O)C[NH2+][C@H](c2cccs2)C(C)C)cc1C ZINC000029112929 570468846 /nfs/dbraw/zinc/46/88/46/570468846.db2.gz DBCYGWUEYUUWTI-INIZCTEOSA-N 1 0 380.535 4.220 50 0 GIAARO C[C@@](O)(C[NH2+]Cc1c[nH]nc1-c1cccnc1)C(c1ccccc1)c1ccccc1 ZINC000072289915 570483025 /nfs/dbraw/zinc/48/30/25/570483025.db2.gz AFUKSXJKRYSVPX-RUZDIDTESA-N 1 0 398.510 4.144 50 0 GIAARO CC(C)c1ccc([C@H]([NH2+]CC(=O)NC(=O)NC2CCCC2)c2cccs2)cc1 ZINC000030505713 570489984 /nfs/dbraw/zinc/48/99/84/570489984.db2.gz JGLYHWLQGPNTON-NRFANRHFSA-N 1 0 399.560 4.319 50 0 GIAARO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000072304969 570515044 /nfs/dbraw/zinc/51/50/44/570515044.db2.gz WCHMADIPWOELLU-LJQANCHMSA-N 1 0 390.911 4.041 50 0 GIAARO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000006646784 570515441 /nfs/dbraw/zinc/51/54/41/570515441.db2.gz XPIMRLYLQKZKIJ-NHTMILBNSA-N 1 0 394.515 4.002 50 0 GIAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000269259247 570574505 /nfs/dbraw/zinc/57/45/05/570574505.db2.gz IUGXBDUSQGCUDN-VXGBXAGGSA-N 1 0 398.359 4.245 50 0 GIAARO Brc1ccc2c(ccc(O[C@@H]3CCC[NH2+]C3)c2Br)c1 ZINC000042774526 570622871 /nfs/dbraw/zinc/62/28/71/570622871.db2.gz KJXHUUDBVNKELA-GFCCVEGCSA-N 1 0 385.099 4.496 50 0 GIAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OCC)cc2)oc1C ZINC000012373155 570648391 /nfs/dbraw/zinc/64/83/91/570648391.db2.gz HGIIWPLFGGIZCO-GOSISDBHSA-N 1 0 386.492 4.356 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccco1 ZINC000012387023 570651757 /nfs/dbraw/zinc/65/17/57/570651757.db2.gz FBSBWAWIISMTQX-QGZVFWFLSA-N 1 0 394.437 4.325 50 0 GIAARO C[C@H](Cc1cccnc1)[NH2+]C1CCN(c2cccc(-c3cscn3)c2)CC1 ZINC000048066898 570655184 /nfs/dbraw/zinc/65/51/84/570655184.db2.gz WDNUTXFDAFGWJY-QGZVFWFLSA-N 1 0 378.545 4.395 50 0 GIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccsc1 ZINC000012429920 570658705 /nfs/dbraw/zinc/65/87/05/570658705.db2.gz FOKRCJRTXNATSX-IBGZPJMESA-N 1 0 386.561 4.174 50 0 GIAARO Cc1ccc(-n2cc(C[N@H+](C)C[C@@H]3COCCO3)c(-c3cccc(C)c3)n2)cc1 ZINC000012439803 570664135 /nfs/dbraw/zinc/66/41/35/570664135.db2.gz FWZMZIZPEPYYPZ-HSZRJFAPSA-N 1 0 391.515 4.003 50 0 GIAARO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]n1 ZINC000012444733 570665689 /nfs/dbraw/zinc/66/56/89/570665689.db2.gz YOXKTMNEUASKMX-LJQANCHMSA-N 1 0 388.515 4.027 50 0 GIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2)c1 ZINC000012454709 570668669 /nfs/dbraw/zinc/66/86/69/570668669.db2.gz WGBVHGWFBFFGIF-NRFANRHFSA-N 1 0 388.508 4.024 50 0 GIAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000012474421 570673231 /nfs/dbraw/zinc/67/32/31/570673231.db2.gz CRKWINMSRQMAMG-UHFFFAOYSA-N 1 0 391.458 4.332 50 0 GIAARO c1cnn(-c2cccc(C[NH2+][C@@H]3CCCN(c4nc5ccccc5s4)C3)c2)c1 ZINC000012479154 570674298 /nfs/dbraw/zinc/67/42/98/570674298.db2.gz HUXVOHSGRYGPSX-GOSISDBHSA-N 1 0 389.528 4.241 50 0 GIAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000012574311 570681929 /nfs/dbraw/zinc/68/19/29/570681929.db2.gz LFQVNQATVJTQPI-MRXNPFEDSA-N 1 0 389.398 4.112 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccc3ccccc3c2)CC1)NC[C@@H]1CCCO1 ZINC000012580148 570683469 /nfs/dbraw/zinc/68/34/69/570683469.db2.gz YPLCMEVSCVZVOI-QHCPKHFHSA-N 1 0 380.532 4.127 50 0 GIAARO CSCCC[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 ZINC000012580336 570683766 /nfs/dbraw/zinc/68/37/66/570683766.db2.gz URCVLDFLKOIRCC-UHFFFAOYSA-N 1 0 387.553 4.226 50 0 GIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cnn(-c3ccccc3Cl)c2)C1 ZINC000012592550 570687700 /nfs/dbraw/zinc/68/77/00/570687700.db2.gz YZHONKFTJMIHPO-QHCPKHFHSA-N 1 0 395.934 4.343 50 0 GIAARO O=C(C[C@H](c1ccccc1)c1ccccc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012592604 570688321 /nfs/dbraw/zinc/68/83/21/570688321.db2.gz WBRUDJMIYKACGP-JOCHJYFZSA-N 1 0 389.474 4.092 50 0 GIAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+](C)C)no2)cc1 ZINC000032623087 570707598 /nfs/dbraw/zinc/70/75/98/570707598.db2.gz ZFKOOFKMBJTQSK-LJQANCHMSA-N 1 0 399.878 4.036 50 0 GIAARO C[C@@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCCC1 ZINC000012993668 570738982 /nfs/dbraw/zinc/73/89/82/570738982.db2.gz ZRZHCTVODUXGCZ-APWZRJJASA-N 1 0 381.545 4.352 50 0 GIAARO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000012995009 570739391 /nfs/dbraw/zinc/73/93/91/570739391.db2.gz MMROFVRZPUSNOQ-OAQYLSRUSA-N 1 0 396.487 4.038 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)c1cc2c(s1)CC[C@H](C)C2)[NH+]1CCCC1 ZINC000032688914 570740613 /nfs/dbraw/zinc/74/06/13/570740613.db2.gz RYUDAEZDJXKODK-QFBILLFUSA-N 1 0 398.572 4.448 50 0 GIAARO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCC[NH+]1CCCCCC1 ZINC000033059970 570747359 /nfs/dbraw/zinc/74/73/59/570747359.db2.gz BPFFIOLVGYYWNU-UHFFFAOYSA-N 1 0 396.560 4.310 50 0 GIAARO COCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008469100 570769985 /nfs/dbraw/zinc/76/99/85/570769985.db2.gz VRQXMKHXEIVJMI-UHFFFAOYSA-N 1 0 384.701 4.418 50 0 GIAARO Cc1c(Nc2ccccc/c2=[NH+]\Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000096602635 570775297 /nfs/dbraw/zinc/77/52/97/570775297.db2.gz CYRKSNUMGBQEOK-UHFFFAOYSA-N 1 0 396.494 4.329 50 0 GIAARO C/C(=C\C(=O)N(Cc1ccccc1F)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000098009463 570775865 /nfs/dbraw/zinc/77/58/65/570775865.db2.gz YQMBJAGQBJNKTA-BMRADRMJSA-N 1 0 384.470 4.491 50 0 GIAARO OCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000013726978 570782204 /nfs/dbraw/zinc/78/22/04/570782204.db2.gz AVHBBDWXBWRADY-UHFFFAOYSA-N 1 0 396.300 4.419 50 0 GIAARO COc1cccc(C[NH2+]CCCCCO)c1OCc1ccc(F)cc1Cl ZINC000013727271 570782308 /nfs/dbraw/zinc/78/23/08/570782308.db2.gz MQOMKNJNRVNJCW-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO Cc1c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)sc2cccc(F)c12 ZINC000032739492 570785551 /nfs/dbraw/zinc/78/55/51/570785551.db2.gz AVJGHUBGOARDQT-UHFFFAOYSA-N 1 0 383.492 4.353 50 0 GIAARO C[NH+](C)CCCNCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010435612 570790627 /nfs/dbraw/zinc/79/06/27/570790627.db2.gz XRIPAJRSQRTRTM-UHFFFAOYSA-N 1 0 377.326 4.069 50 0 GIAARO c1nn2cc(-c3ccc(OCC[NH+]4CCCCC4)cc3)cnc2c1-c1ccncc1 ZINC000013829435 570793827 /nfs/dbraw/zinc/79/38/27/570793827.db2.gz XHBVYDAKJHETMP-UHFFFAOYSA-N 1 0 399.498 4.323 50 0 in-vivo GIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC000014128784 570824349 /nfs/dbraw/zinc/82/43/49/570824349.db2.gz TYIYXRQFVLVCFX-UHFFFAOYSA-N 1 0 397.563 4.122 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4ccc(C)cc4[nH]3)cc2C)CC1 ZINC000012526835 570831712 /nfs/dbraw/zinc/83/17/12/570831712.db2.gz DXPKUQLOOLVVSE-UHFFFAOYSA-N 1 0 376.504 4.179 50 0 GIAARO COc1ccccc1[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1nccn1C ZINC000012535041 570835367 /nfs/dbraw/zinc/83/53/67/570835367.db2.gz OYVRJMXBTNVAQP-LJQANCHMSA-N 1 0 395.846 4.348 50 0 GIAARO Cc1cc(C[NH+]2CCC(CNC(=O)CSCc3ccccc3)CC2)c(C)o1 ZINC000043972658 570847374 /nfs/dbraw/zinc/84/73/74/570847374.db2.gz VURQZCZWXONRIQ-UHFFFAOYSA-N 1 0 386.561 4.158 50 0 GIAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000170601586 570859036 /nfs/dbraw/zinc/85/90/36/570859036.db2.gz QWBBKLUNBIVBKV-RBUKOAKNSA-N 1 0 390.572 4.211 50 0 GIAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000170601585 570859160 /nfs/dbraw/zinc/85/91/60/570859160.db2.gz QWBBKLUNBIVBKV-OALUTQOASA-N 1 0 390.572 4.211 50 0 GIAARO CCN(C(=O)CSCc1cn2cc(C)ccc2n1)c1ccc2[nH]ccc2c1 ZINC000170606417 570863951 /nfs/dbraw/zinc/86/39/51/570863951.db2.gz OCXLNPRZIVCJAU-UHFFFAOYSA-N 1 0 378.501 4.410 50 0 GIAARO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)no1 ZINC000014950456 570865681 /nfs/dbraw/zinc/86/56/81/570865681.db2.gz WSDKGHNQILZVSH-HSZRJFAPSA-N 1 0 381.520 4.235 50 0 GIAARO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3=O)c(C)o2)s1 ZINC000014956223 570866265 /nfs/dbraw/zinc/86/62/65/570866265.db2.gz QNLOMRWTCHGWBJ-QGZVFWFLSA-N 1 0 387.549 4.387 50 0 GIAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccc(OCCO)cc2)c1 ZINC000014964823 570867384 /nfs/dbraw/zinc/86/73/84/570867384.db2.gz ZBODQCYXRUKPAV-HSZRJFAPSA-N 1 0 391.515 4.027 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(C)o3)C2)cc1C ZINC000014969656 570867553 /nfs/dbraw/zinc/86/75/53/570867553.db2.gz BINMVODZLYRQMC-LJQANCHMSA-N 1 0 384.520 4.214 50 0 GIAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](CCCn4cccn4)C3)ccc2c1 ZINC000015062618 570874775 /nfs/dbraw/zinc/87/47/75/570874775.db2.gz GUZAPRGQOYWSGZ-NRFANRHFSA-N 1 0 377.488 4.030 50 0 GIAARO COc1ccccc1Oc1ncccc1C[NH2+]Cc1cccn1-c1ccccn1 ZINC000015071278 570877044 /nfs/dbraw/zinc/87/70/44/570877044.db2.gz CYJUPYBKACTDLO-UHFFFAOYSA-N 1 0 386.455 4.358 50 0 GIAARO CCN(Cc1cn(CC)nc1C)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000015074249 570878312 /nfs/dbraw/zinc/87/83/12/570878312.db2.gz APORVKQGAJJXRM-NRFANRHFSA-N 1 0 386.559 4.127 50 0 GIAARO O=C(c1ccccc1OC1CC[NH+](C2CCSCC2)CC1)N1CCCCC1 ZINC000015076300 570879007 /nfs/dbraw/zinc/87/90/07/570879007.db2.gz NERDOZDAROAFKY-UHFFFAOYSA-N 1 0 388.577 4.052 50 0 GIAARO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000015079259 570879517 /nfs/dbraw/zinc/87/95/17/570879517.db2.gz QGDUPZJIXZGFLC-GOSISDBHSA-N 1 0 377.488 4.292 50 0 GIAARO NC(=[NH2+])Sc1cn(CCNC(=O)c2ccc3ccccc3c2)c2ccccc12 ZINC000003866103 570885057 /nfs/dbraw/zinc/88/50/57/570885057.db2.gz FARCKCUFZTXTLW-UHFFFAOYSA-N 1 0 388.496 4.210 50 0 GIAARO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000097141097 570899781 /nfs/dbraw/zinc/89/97/81/570899781.db2.gz BQZYCSZDBNSNBU-KYNGSXCRSA-N 1 0 386.467 4.096 50 0 GIAARO C[C@]1(c2ccccc2F)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000097162389 570901099 /nfs/dbraw/zinc/90/10/99/570901099.db2.gz XTLDGBCQDRMMJH-RBBKRZOGSA-N 1 0 386.898 4.404 50 0 GIAARO Cc1cc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CCCC3)cc2)c(=O)[nH]c1C ZINC000534584667 570904121 /nfs/dbraw/zinc/90/41/21/570904121.db2.gz FKNJNXKXEAWKCK-UHFFFAOYSA-N 1 0 381.520 4.017 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cc(-c2cccs2)on1 ZINC000015859703 570906754 /nfs/dbraw/zinc/90/67/54/570906754.db2.gz ZYMPYCXRXNQLHO-GOSISDBHSA-N 1 0 381.501 4.360 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(Br)c2)cc1 ZINC000016779883 570910087 /nfs/dbraw/zinc/91/00/87/570910087.db2.gz UZCPDHXHOMTISV-UHFFFAOYSA-N 1 0 375.310 4.221 50 0 GIAARO CC(C)[C@H]1C=CCN1C(=O)c1ccc(-c2ccccc2OCC[NH+](C)C)cc1 ZINC000534645950 570910391 /nfs/dbraw/zinc/91/03/91/570910391.db2.gz UGNSEVUEHDMAPD-JOCHJYFZSA-N 1 0 378.516 4.331 50 0 GIAARO Cc1cccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)c1 ZINC000104972867 570910748 /nfs/dbraw/zinc/91/07/48/570910748.db2.gz UWHWBYHOVJPZKS-IRLDBZIGSA-N 1 0 389.923 4.069 50 0 GIAARO CC(C)c1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023127725 570913408 /nfs/dbraw/zinc/91/34/08/570913408.db2.gz UKVKPJOXAZPWPN-UHFFFAOYSA-N 1 0 392.590 4.062 50 0 GIAARO CC[NH+](CC)CCN(CCC(F)(F)F)c1ncnc2cc(F)c(F)cc21 ZINC000089968985 570922049 /nfs/dbraw/zinc/92/20/49/570922049.db2.gz CQVOUDCDNDWOJI-UHFFFAOYSA-N 1 0 376.373 4.009 50 0 GIAARO CCOc1ccc(NC(=O)CN2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000089991151 570923272 /nfs/dbraw/zinc/92/32/72/570923272.db2.gz JXTFJOMOSJDTRC-QFIPXVFZSA-N 1 0 395.547 4.010 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccccc1C ZINC000016362755 570923618 /nfs/dbraw/zinc/92/36/18/570923618.db2.gz BQONMZNBOZIJLT-JOCHJYFZSA-N 1 0 377.484 4.406 50 0 GIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000016624324 570928812 /nfs/dbraw/zinc/92/88/12/570928812.db2.gz DXSXHQUUTADFGK-UHFFFAOYSA-N 1 0 387.911 4.382 50 0 GIAARO CC(C)[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000016695682 570931377 /nfs/dbraw/zinc/93/13/77/570931377.db2.gz MMXWKIPQTVDXLF-QHCPKHFHSA-N 1 0 386.536 4.141 50 0 GIAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000046991175 570938097 /nfs/dbraw/zinc/93/80/97/570938097.db2.gz LPBGCROVXAKVCP-CYBMUJFWSA-N 1 0 387.749 4.344 50 0 GIAARO CCN(Cc1cnc(C)s1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000019225488 570963764 /nfs/dbraw/zinc/96/37/64/570963764.db2.gz HPFPYPPAZWMEBC-HXUWFJFHSA-N 1 0 387.593 4.237 50 0 GIAARO O=C(CCc1cccc(F)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000107365149 570973429 /nfs/dbraw/zinc/97/34/29/570973429.db2.gz ZYUSPPWJCOHYAU-FYYLOGMGSA-N 1 0 380.507 4.271 50 0 GIAARO CC(C)c1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000012734641 570977176 /nfs/dbraw/zinc/97/71/76/570977176.db2.gz SUWSZEDYQBQQGG-UHFFFAOYSA-N 1 0 393.531 4.163 50 0 GIAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000252513149 570982812 /nfs/dbraw/zinc/98/28/12/570982812.db2.gz XPAAYKNJEAYROX-HIFRSBDPSA-N 1 0 376.909 4.393 50 0 GIAARO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000098069491 570987880 /nfs/dbraw/zinc/98/78/80/570987880.db2.gz KSUXBYJYKYXZSQ-CYBMUJFWSA-N 1 0 382.838 4.251 50 0 GIAARO COc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3S2)[NH+]2CCCCC2)cc1 ZINC000012750825 571003187 /nfs/dbraw/zinc/00/31/87/571003187.db2.gz QXUSGIVRYVPNOA-IFMALSPDSA-N 1 0 396.556 4.055 50 0 GIAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC(C)C)cc1 ZINC000045974155 571006962 /nfs/dbraw/zinc/00/69/62/571006962.db2.gz QJTPOPATDZJBJM-UHFFFAOYSA-N 1 0 399.922 4.405 50 0 GIAARO CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000004275292 571040942 /nfs/dbraw/zinc/04/09/42/571040942.db2.gz DSNWJLJKOWHAQB-UHFFFAOYSA-N 1 0 392.546 4.398 50 0 GIAARO COc1ccc([C@@H]2CN(C(=O)c3ccc(C)c(C)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095391246 571072461 /nfs/dbraw/zinc/07/24/61/571072461.db2.gz AHQPOFTYBNYSJT-RBZQAINGSA-N 1 0 390.527 4.014 50 0 GIAARO CCc1ccc(C(=O)N(CC)C[C@H]2CCC[N@H+](CCc3cccc(F)c3)C2)[nH]1 ZINC000095510503 571082112 /nfs/dbraw/zinc/08/21/12/571082112.db2.gz GXEQUHNODPFBKZ-IBGZPJMESA-N 1 0 385.527 4.133 50 0 GIAARO CCn1cncc1C[NH+]1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1 ZINC000095520804 571086568 /nfs/dbraw/zinc/08/65/68/571086568.db2.gz CUELVAPXJNMEIO-UHFFFAOYSA-N 1 0 378.476 4.014 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CC=CC1 ZINC000095521920 571087535 /nfs/dbraw/zinc/08/75/35/571087535.db2.gz BFLWBQKPSRUFCR-GOSISDBHSA-N 1 0 394.481 4.385 50 0 GIAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2ccc3cccnc3c2)CC1 ZINC000095524210 571089703 /nfs/dbraw/zinc/08/97/03/571089703.db2.gz OSAPRCGORDFNOD-UHFFFAOYSA-N 1 0 387.527 4.262 50 0 GIAARO CCOc1ccc(NC(=O)NC[C@H]2C[N@H+](CC3CC3)CC23CCCCC3)cc1 ZINC000409420035 823220721 /nfs/dbraw/zinc/22/07/21/823220721.db2.gz GALUBYXNVAMCHH-IBGZPJMESA-N 1 0 385.552 4.499 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000056851968 823223661 /nfs/dbraw/zinc/22/36/61/823223661.db2.gz DFFYOTRLKJDGDE-JKSUJKDBSA-N 1 0 375.472 4.476 50 0 GIAARO CCCSc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000002333318 817384965 /nfs/dbraw/zinc/38/49/65/817384965.db2.gz KFIULJQFLATKHG-UHFFFAOYSA-N 1 0 394.610 4.408 50 0 GIAARO CN(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000003257017 817428851 /nfs/dbraw/zinc/42/88/51/817428851.db2.gz XBKDCNLGIIYBHO-UHFFFAOYSA-N 1 0 377.463 4.207 50 0 GIAARO O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000003817068 817494941 /nfs/dbraw/zinc/49/49/41/817494941.db2.gz IKHWAGSXLRGKEH-VFADXPBXSA-N 1 0 386.845 4.459 50 0 GIAARO CC(C)CCC[C@H](C)NC(=O)CCCC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004042942 817498857 /nfs/dbraw/zinc/49/88/57/817498857.db2.gz OBCWVGWBNHQUML-PCCBWWKXSA-N 1 0 394.600 4.295 50 0 GIAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(N(C)C)cc3)nc21 ZINC000004272546 817514935 /nfs/dbraw/zinc/51/49/35/817514935.db2.gz APWJSNVDPDCXRF-UHFFFAOYSA-N 1 0 396.560 4.269 50 0 GIAARO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1ccc(Cl)cc1 ZINC000057315445 823279071 /nfs/dbraw/zinc/27/90/71/823279071.db2.gz XRJLSEZZLGRBOG-OAHLLOKOSA-N 1 0 397.906 4.289 50 0 GIAARO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261370 818025564 /nfs/dbraw/zinc/02/55/64/818025564.db2.gz KEEXJOUTWAAFLF-WMZOPIPTSA-N 1 0 391.540 4.454 50 0 GIAARO COc1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)cc1OC ZINC000011821620 818123963 /nfs/dbraw/zinc/12/39/63/818123963.db2.gz HCEBPCYRQPNELV-QGZVFWFLSA-N 1 0 392.446 4.382 50 0 GIAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)cc1 ZINC000011822140 818124208 /nfs/dbraw/zinc/12/42/08/818124208.db2.gz WTVJCYMOOSLBFC-NRFANRHFSA-N 1 0 375.520 4.467 50 0 GIAARO O=C(Nc1ccc(N2CCC([NH2+]CCc3ccco3)CC2)cc1)C1CCCC1 ZINC000012162448 818144186 /nfs/dbraw/zinc/14/41/86/818144186.db2.gz HLVCGDBKSGWPCH-UHFFFAOYSA-N 1 0 381.520 4.209 50 0 GIAARO Cn1cc(C[NH+]2CCC([C@@H](O)c3cccnc3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012308673 818153675 /nfs/dbraw/zinc/15/36/75/818153675.db2.gz UOXKDHCGUZKZOT-JOCHJYFZSA-N 1 0 396.922 4.081 50 0 GIAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCCCCCC1 ZINC000012430866 818158868 /nfs/dbraw/zinc/15/88/68/818158868.db2.gz WCBJMZIHKIGWPX-QHCPKHFHSA-N 1 0 397.607 4.156 50 0 GIAARO Fc1ccc(/C=C/C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)cc1 ZINC000012434072 818159347 /nfs/dbraw/zinc/15/93/47/818159347.db2.gz AXEQPHQFZXIUBO-OWOJBTEDSA-N 1 0 377.419 4.016 50 0 GIAARO Cc1nc2sccn2c1C[N@@H+]1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012444653 818160347 /nfs/dbraw/zinc/16/03/47/818160347.db2.gz MEFBLEYOTYGHOM-FQEVSTJZSA-N 1 0 389.952 4.175 50 0 GIAARO COc1ccc(C[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)cc1OC ZINC000012660842 818174709 /nfs/dbraw/zinc/17/47/09/818174709.db2.gz MBXTZFOKNHDGBZ-FJQWKABRSA-N 1 0 399.531 4.108 50 0 GIAARO O=C(CCC(F)(F)F)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012712059 818177777 /nfs/dbraw/zinc/17/77/77/818177777.db2.gz ISXIGQNLIHSYME-HXUWFJFHSA-N 1 0 382.470 4.276 50 0 GIAARO Cc1nc(C)c(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)nc1C ZINC000012745080 818180658 /nfs/dbraw/zinc/18/06/58/818180658.db2.gz TZUSPBVWMFUMCC-HSZRJFAPSA-N 1 0 382.527 4.029 50 0 GIAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1C ZINC000013595447 818213814 /nfs/dbraw/zinc/21/38/14/818213814.db2.gz TXMPMEQLXDHGQS-HXUWFJFHSA-N 1 0 383.536 4.484 50 0 GIAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1cccc(F)c1)C3 ZINC000014994076 818280762 /nfs/dbraw/zinc/28/07/62/818280762.db2.gz KCWDALKDAIOCLG-MRXNPFEDSA-N 1 0 385.508 4.044 50 0 GIAARO CCCn1cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218090 818588154 /nfs/dbraw/zinc/58/81/54/818588154.db2.gz OHULEEKUGZPEGS-XMMPIXPASA-N 1 0 380.580 4.398 50 0 GIAARO COCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)o1 ZINC000020600409 818626521 /nfs/dbraw/zinc/62/65/21/818626521.db2.gz AZCRLTMVILMBTJ-AWEZNQCLSA-N 1 0 387.430 4.474 50 0 GIAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccc(F)cc1)C3 ZINC000023129392 818901423 /nfs/dbraw/zinc/90/14/23/818901423.db2.gz NZZAWAPETSBOFR-MRXNPFEDSA-N 1 0 385.508 4.044 50 0 GIAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3c[nH]nc3C3CCCCC3)C2)c1 ZINC000023373187 818929147 /nfs/dbraw/zinc/92/91/47/818929147.db2.gz NOSTYSSGBGASQZ-OAQYLSRUSA-N 1 0 382.552 4.220 50 0 GIAARO O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024190294 819031020 /nfs/dbraw/zinc/03/10/20/819031020.db2.gz HPJKTKCJGGPHDY-UHFFFAOYSA-N 1 0 390.936 4.277 50 0 GIAARO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(N2CCOC2=O)cc1 ZINC000122872729 823426837 /nfs/dbraw/zinc/42/68/37/823426837.db2.gz BIGVIYMFOXRQBY-INIZCTEOSA-N 1 0 396.487 4.043 50 0 GIAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000027391295 820237694 /nfs/dbraw/zinc/23/76/94/820237694.db2.gz WASFWBJRFZMEGN-UHFFFAOYSA-N 1 0 387.321 4.106 50 0 GIAARO COc1cc(C[C@@H](C)[NH2+][C@@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)ccc1O ZINC000036269424 821070388 /nfs/dbraw/zinc/07/03/88/821070388.db2.gz DFJOKNIZMAGTLK-BFUOFWGJSA-N 1 0 395.459 4.389 50 0 GIAARO CCOC(=O)c1c(NC(=O)c2ccco2)sc(C[NH+](C)C)c1-c1ccccc1 ZINC000039931503 821123391 /nfs/dbraw/zinc/12/33/91/821123391.db2.gz QUCGDXKCQKXMJJ-UHFFFAOYSA-N 1 0 398.484 4.499 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000040103804 821137089 /nfs/dbraw/zinc/13/70/89/821137089.db2.gz KJKOQBMZWPWJGO-JOCHJYFZSA-N 1 0 398.526 4.405 50 0 GIAARO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1nc2ccc(Cl)cc2n1C ZINC000179743441 822541254 /nfs/dbraw/zinc/54/12/54/822541254.db2.gz ZXUSJLLBKFPVKB-AWEZNQCLSA-N 1 0 399.926 4.268 50 0 GIAARO Cn1cc(C[N@@H+](Cc2ccncc2)C[C@H]2CCCO2)c(-c2cccc(Cl)c2)n1 ZINC000055108323 822938822 /nfs/dbraw/zinc/93/88/22/822938822.db2.gz DJCPLWQAFWWIIW-OAQYLSRUSA-N 1 0 396.922 4.317 50 0 GIAARO O=C(Nc1ccccc1F)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055481616 822968616 /nfs/dbraw/zinc/96/86/16/822968616.db2.gz OFZLIRIVOWNZBZ-UHFFFAOYSA-N 1 0 389.474 4.400 50 0 GIAARO O=C(c1cccc(F)c1)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000169792735 823916698 /nfs/dbraw/zinc/91/66/98/823916698.db2.gz SANZTIXIHIPBTM-UHFFFAOYSA-N 1 0 396.506 4.112 50 0 GIAARO O[C@H](c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000000537964 209113502 /nfs/dbraw/zinc/11/35/02/209113502.db2.gz XEEQGYMUWCZPDN-IUODEOHRSA-N 1 0 378.316 4.448 50 0 fda GIAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000225402915 206258233 /nfs/dbraw/zinc/25/82/33/206258233.db2.gz QWBBKLUNBIVBKV-RTBURBONSA-N 1 0 390.572 4.211 50 0 GIAARO C[N@@H+]1CCC[C@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1 ZINC000000897240 206331397 /nfs/dbraw/zinc/33/13/97/206331397.db2.gz MBUVEWMHONZEQD-SFHVURJKSA-N 1 0 381.907 4.298 50 0 fda GIAARO COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)c1 ZINC000000934762 206334892 /nfs/dbraw/zinc/33/48/92/206334892.db2.gz NTSJSSBJUDPIIE-FQEVSTJZSA-N 1 0 397.906 4.314 50 0 GIAARO CCC1=[NH+]c2ccc(Br)cc2[C@@H](c2ccccc2)N1CC(=O)OC ZINC000000975193 206338571 /nfs/dbraw/zinc/33/85/71/206338571.db2.gz HPGFBGDSTCAFDU-LJQANCHMSA-N 1 0 387.277 4.467 50 0 GIAARO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCc1ccccc1 ZINC000001408206 206378857 /nfs/dbraw/zinc/37/88/57/206378857.db2.gz HMNPMEWDLDMFIB-OAQYLSRUSA-N 1 0 399.454 4.121 50 0 GIAARO O[C@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000010434669 206392208 /nfs/dbraw/zinc/39/22/08/206392208.db2.gz VJUUVEOHITUAOC-WWNAGFPVSA-N 1 0 383.576 4.287 50 0 GIAARO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1OCc1ccccc1F ZINC000004488596 206522535 /nfs/dbraw/zinc/52/25/35/206522535.db2.gz KLGYUWSIXWEDJS-UHFFFAOYSA-N 1 0 395.430 4.432 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](CCCc2ccccc2)CC1)C1CCCC1 ZINC000011838322 206835351 /nfs/dbraw/zinc/83/53/51/206835351.db2.gz KYCLPYHSGPDEHW-UHFFFAOYSA-N 1 0 380.536 4.282 50 0 GIAARO O=C(/C=C/c1ccncc1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012449494 206900054 /nfs/dbraw/zinc/90/00/54/206900054.db2.gz PUJVJZKNFRXGIX-ZUCPIXAKSA-N 1 0 389.543 4.042 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2ccccc2F)c1C)c1ccccc1 ZINC000012772602 206935597 /nfs/dbraw/zinc/93/55/97/206935597.db2.gz YZZOJCHSRBMFPU-QFIPXVFZSA-N 1 0 394.494 4.133 50 0 GIAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000012908737 206949501 /nfs/dbraw/zinc/94/95/01/206949501.db2.gz UJSHMDQRBNRMHZ-UHFFFAOYSA-N 1 0 381.879 4.291 50 0 GIAARO Cn1c(CC[NH+]2CCCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000013115510 206968539 /nfs/dbraw/zinc/96/85/39/206968539.db2.gz WJANBGLASHBYEI-UHFFFAOYSA-N 1 0 377.492 4.246 50 0 GIAARO COc1ccc(SCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000014183419 207013442 /nfs/dbraw/zinc/01/34/42/207013442.db2.gz VDVBPQBUVKZHLE-UHFFFAOYSA-N 1 0 376.566 4.092 50 0 GIAARO CC(=O)N1CCC([NH2+]Cc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)CC1 ZINC000014963753 207035752 /nfs/dbraw/zinc/03/57/52/207035752.db2.gz PMBHCRMACVKXGY-UHFFFAOYSA-N 1 0 379.479 4.383 50 0 GIAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccco1 ZINC000014964771 207035903 /nfs/dbraw/zinc/03/59/03/207035903.db2.gz ICJNBLPHWNQCSE-UHFFFAOYSA-N 1 0 394.437 4.325 50 0 GIAARO Cc1nc(C(=O)N(Cc2cccc(OCC[NH+]3CCCCC3)c2)C2CC2)cs1 ZINC000015071273 207044938 /nfs/dbraw/zinc/04/49/38/207044938.db2.gz LSHHCWZPOZJOGL-UHFFFAOYSA-N 1 0 399.560 4.121 50 0 GIAARO CCCCc1nc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)c[nH]1 ZINC000015075405 207045583 /nfs/dbraw/zinc/04/55/83/207045583.db2.gz WEFPLACGXIRMLD-FQEVSTJZSA-N 1 0 398.595 4.147 50 0 GIAARO CCN(Cc1cn(CC)nc1C)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000015074250 207044626 /nfs/dbraw/zinc/04/46/26/207044626.db2.gz APORVKQGAJJXRM-OAQYLSRUSA-N 1 0 386.559 4.127 50 0 GIAARO CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(C[NH+]4CCCCC4)cc3)c21 ZINC000015727300 207056455 /nfs/dbraw/zinc/05/64/55/207056455.db2.gz HCDYFYMYSHJGST-UHFFFAOYSA-N 1 0 394.475 4.437 50 0 GIAARO Cc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(C)n1-c1ccnn1C(C)C ZINC000017311862 207087707 /nfs/dbraw/zinc/08/77/07/207087707.db2.gz WNJXPSWKZGFXSZ-QGZVFWFLSA-N 1 0 394.519 4.494 50 0 GIAARO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000018220197 207096830 /nfs/dbraw/zinc/09/68/30/207096830.db2.gz HNWXBSYLTKXPJH-QHCPKHFHSA-N 1 0 390.527 4.362 50 0 GIAARO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000019361659 207119073 /nfs/dbraw/zinc/11/90/73/207119073.db2.gz RXHYOABDYCLGEL-UHFFFAOYSA-N 1 0 389.337 4.084 50 0 GIAARO CC(C)CCNC(=O)CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000019745635 207157492 /nfs/dbraw/zinc/15/74/92/207157492.db2.gz GUWNANRFIIJWMU-JOCHJYFZSA-N 1 0 384.495 4.314 50 0 GIAARO c1ccc(C2CCC([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000019889598 207167909 /nfs/dbraw/zinc/16/79/09/207167909.db2.gz WIIYEYKPKKOYGX-UHFFFAOYSA-N 1 0 378.516 4.259 50 0 GIAARO CC[NH+](CC)CCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000019872202 207168036 /nfs/dbraw/zinc/16/80/36/207168036.db2.gz SJUGVLIHDFPBIG-UHFFFAOYSA-N 1 0 376.928 4.359 50 0 GIAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000019788765 207161910 /nfs/dbraw/zinc/16/19/10/207161910.db2.gz PAKSJPSOPDHVFZ-XMMPIXPASA-N 1 0 397.453 4.260 50 0 GIAARO CC1(C)Cc2c3c(ncn4nc(COc5ccccc5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019771510 207161944 /nfs/dbraw/zinc/16/19/44/207161944.db2.gz RHSAOAWVCKAMPC-UHFFFAOYSA-N 1 0 393.516 4.077 50 0 GIAARO COC(=O)c1ccc2c(c1)[N+](C)=C(/C=C/c1ccc(OC)c(OC)c1)C2(C)C ZINC000020070279 207175476 /nfs/dbraw/zinc/17/54/76/207175476.db2.gz OFYONNPRFWTUCU-XYOKQWHBSA-N 1 0 380.464 4.210 50 0 GIAARO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC(C)(C)C1 ZINC000020109738 207177292 /nfs/dbraw/zinc/17/72/92/207177292.db2.gz AQXFPFUNXBPFNS-JRGCBEDISA-N 1 0 394.987 4.054 50 0 GIAARO O[C@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019901459 207170755 /nfs/dbraw/zinc/17/07/55/207170755.db2.gz OIWOLRDIJKZZJP-DEOSSOPVSA-N 1 0 394.559 4.296 50 0 GIAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000020295037 207185868 /nfs/dbraw/zinc/18/58/68/207185868.db2.gz IRRAMCVSNMVUCV-BSBODGDASA-N 1 0 393.550 4.434 50 0 GIAARO COc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440769 207193424 /nfs/dbraw/zinc/19/34/24/207193424.db2.gz CQDLQCAGLLFFQK-ZEQRLZLVSA-N 1 0 383.532 4.045 50 0 GIAARO Brc1ccccc1CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000020495068 207199619 /nfs/dbraw/zinc/19/96/19/207199619.db2.gz WADIXOUBCHKQIQ-UHFFFAOYSA-N 1 0 384.321 4.248 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH+]2CCSCC2)cc1 ZINC000020600058 207206716 /nfs/dbraw/zinc/20/67/16/207206716.db2.gz VULIYNVAMUOTCD-UHFFFAOYSA-N 1 0 383.492 4.236 50 0 GIAARO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000020867680 207217103 /nfs/dbraw/zinc/21/71/03/207217103.db2.gz OUIKVVKFASPIIM-FQEVSTJZSA-N 1 0 392.952 4.092 50 0 GIAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020906698 207220284 /nfs/dbraw/zinc/22/02/84/207220284.db2.gz NMZQGWYQYPCJQK-OAQYLSRUSA-N 1 0 392.572 4.344 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020720069 207210838 /nfs/dbraw/zinc/21/08/38/207210838.db2.gz JMVGIBFBKBWXGW-GOSISDBHSA-N 1 0 398.528 4.055 50 0 GIAARO CCCOc1c(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)cc1OC ZINC000020934288 207220616 /nfs/dbraw/zinc/22/06/16/207220616.db2.gz JERDEGCYOJQLTJ-QGZVFWFLSA-N 1 0 394.309 4.070 50 0 GIAARO COc1ccc(C)cc1NC(=O)N1CCC(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000020927071 207220628 /nfs/dbraw/zinc/22/06/28/207220628.db2.gz FNOCZFVUXUOFGB-UHFFFAOYSA-N 1 0 393.531 4.306 50 0 GIAARO Cc1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020927205 207221247 /nfs/dbraw/zinc/22/12/47/207221247.db2.gz KCQNALKZODRBIK-UHFFFAOYSA-N 1 0 380.517 4.157 50 0 GIAARO CCCOc1c(Br)cc(C[NH2+]CCCOC)cc1Br ZINC000020927028 207221269 /nfs/dbraw/zinc/22/12/69/207221269.db2.gz JIVNIFQSVPGEQK-UHFFFAOYSA-N 1 0 395.135 4.127 50 0 GIAARO CC(C)Cn1cc(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c2ccccc2c1=O ZINC000020941504 207221462 /nfs/dbraw/zinc/22/14/62/207221462.db2.gz QOFDJHWDDCKSKX-GOSISDBHSA-N 1 0 398.551 4.044 50 0 GIAARO COc1ccc(-c2noc(NCC3CC[NH+](Cc4cccc(C)c4)CC3)n2)cc1 ZINC000021158336 207226831 /nfs/dbraw/zinc/22/68/31/207226831.db2.gz GIZTWEZSNDHWPT-UHFFFAOYSA-N 1 0 392.503 4.378 50 0 GIAARO CC(C)CC[C@@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170133 207228265 /nfs/dbraw/zinc/22/82/65/207228265.db2.gz PWIDABSTYCVTRN-DNQXCXABSA-N 1 0 383.532 4.132 50 0 GIAARO O=C(COc1ccc(Cl)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021170789 207228538 /nfs/dbraw/zinc/22/85/38/207228538.db2.gz NDSJXWUBLIUBQC-LJQANCHMSA-N 1 0 378.944 4.366 50 0 GIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000021673124 207234859 /nfs/dbraw/zinc/23/48/59/207234859.db2.gz ZNLOYAGGUZYFGL-QHCPKHFHSA-N 1 0 391.515 4.249 50 0 GIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000021673127 207235264 /nfs/dbraw/zinc/23/52/64/207235264.db2.gz ZNLOYAGGUZYFGL-HSZRJFAPSA-N 1 0 391.515 4.249 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1 ZINC000021718182 207236301 /nfs/dbraw/zinc/23/63/01/207236301.db2.gz KLQARVJMTITNPG-YVUVQEAYSA-N 1 0 387.612 4.355 50 0 GIAARO COc1ccc(OC)c(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2c(C)noc2C)c1 ZINC000021720047 207236383 /nfs/dbraw/zinc/23/63/83/207236383.db2.gz MGPPOPRZKCBBIZ-SFHVURJKSA-N 1 0 382.464 4.036 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1cccs1 ZINC000021805501 207238645 /nfs/dbraw/zinc/23/86/45/207238645.db2.gz LHPZADYCXQRQAQ-IBGZPJMESA-N 1 0 395.528 4.315 50 0 GIAARO Cc1cc(OC[C@@H](O)CNCC[NH+](C(C)C)C(C)C)c(C(C)C)cc1Cl ZINC000022029588 207244957 /nfs/dbraw/zinc/24/49/57/207244957.db2.gz PVNHDIUSSNGKJM-SFHVURJKSA-N 1 0 384.992 4.220 50 0 GIAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccccc1F ZINC000022075707 207246892 /nfs/dbraw/zinc/24/68/92/207246892.db2.gz AVWOJSVJBRPZDQ-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000022913023 207263420 /nfs/dbraw/zinc/26/34/20/207263420.db2.gz FOOFNFMNWSUOMZ-IBGZPJMESA-N 1 0 375.463 4.170 50 0 GIAARO CN1c2ccccc2N[C@H]1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000022478584 207255026 /nfs/dbraw/zinc/25/50/26/207255026.db2.gz SKBQSFLRKCWXAP-RUZDIDTESA-N 1 0 382.511 4.220 50 0 GIAARO CCCCc1c(C)nc(-c2cccc(C[NH+]3CCC(F)(F)CC3)c2)[nH]c1=O ZINC000023312399 207273133 /nfs/dbraw/zinc/27/31/33/207273133.db2.gz HWJUYSWAOQXMLI-UHFFFAOYSA-N 1 0 375.463 4.319 50 0 GIAARO Fc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1 ZINC000023373579 207276616 /nfs/dbraw/zinc/27/66/16/207276616.db2.gz PWLXIEVAKOISEO-QFIPXVFZSA-N 1 0 387.930 4.266 50 0 GIAARO CNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)s1 ZINC000023540864 207277660 /nfs/dbraw/zinc/27/76/60/207277660.db2.gz KAJIKSYHSYEINK-QGZVFWFLSA-N 1 0 380.517 4.143 50 0 GIAARO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024666580 207293209 /nfs/dbraw/zinc/29/32/09/207293209.db2.gz IOOAEGUWDYFVMM-MRXNPFEDSA-N 1 0 390.443 4.266 50 0 GIAARO Cc1c(C)n(Cc2ccco2)c2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c12 ZINC000024747357 207294761 /nfs/dbraw/zinc/29/47/61/207294761.db2.gz WTXOZUXAZVMVDR-UHFFFAOYSA-N 1 0 381.524 4.411 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)[C@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC000024841693 207295976 /nfs/dbraw/zinc/29/59/76/207295976.db2.gz CJHQDMMMFIPYNE-RBBKRZOGSA-N 1 0 378.516 4.068 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000025377183 207302458 /nfs/dbraw/zinc/30/24/58/207302458.db2.gz KFOFSMZEBOXHPU-OAQYLSRUSA-N 1 0 377.488 4.207 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2ccccc2Br)[NH+]2CCCC2)cc1 ZINC000027794344 207331921 /nfs/dbraw/zinc/33/19/21/207331921.db2.gz WQRWBQQKKCJDDG-IBGZPJMESA-N 1 0 387.321 4.324 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1ccccc1Br ZINC000027584340 207326688 /nfs/dbraw/zinc/32/66/88/207326688.db2.gz MVAIJUGNWVMOJW-INIZCTEOSA-N 1 0 393.350 4.468 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027581839 207327468 /nfs/dbraw/zinc/32/74/68/207327468.db2.gz SXBYGVBGLQZDKO-QHCPKHFHSA-N 1 0 380.532 4.334 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(F)ccc1Br ZINC000027606427 207328579 /nfs/dbraw/zinc/32/85/79/207328579.db2.gz AZIKDVDPKJSOEU-HNNXBMFYSA-N 1 0 397.313 4.217 50 0 GIAARO O[C@@H](C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000028260654 207338786 /nfs/dbraw/zinc/33/87/86/207338786.db2.gz JBHHHGAIYZWTAK-FQEVSTJZSA-N 1 0 396.428 4.086 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccccc1 ZINC000028292679 207339477 /nfs/dbraw/zinc/33/94/77/207339477.db2.gz QQNKHEQNUVRSAX-SFHVURJKSA-N 1 0 398.890 4.259 50 0 GIAARO c1cnn(Cc2ccc(C[NH2+]Cc3ccc(OCc4ccncc4)cc3)cc2)c1 ZINC000030629956 207373079 /nfs/dbraw/zinc/37/30/79/207373079.db2.gz BTKNKIXIJHJWCL-UHFFFAOYSA-N 1 0 384.483 4.195 50 0 GIAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000030545435 207371469 /nfs/dbraw/zinc/37/14/69/207371469.db2.gz URYXGVMRBSFYJP-GOSISDBHSA-N 1 0 385.471 4.092 50 0 GIAARO CCn1c(C)c(C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)c2ccccc21 ZINC000065060127 207830762 /nfs/dbraw/zinc/83/07/62/207830762.db2.gz LPDGHQUCBNSVRG-UHFFFAOYSA-N 1 0 399.579 4.113 50 0 GIAARO COc1ccc(CNC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCCC2)cc1 ZINC000065138887 207837805 /nfs/dbraw/zinc/83/78/05/207837805.db2.gz PYAAAKRLIRXJKW-UHFFFAOYSA-N 1 0 383.517 4.072 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+](C)CC1(CO)CC1 ZINC000072410478 208018075 /nfs/dbraw/zinc/01/80/75/208018075.db2.gz KRTCXBJDPWJIHM-UHFFFAOYSA-N 1 0 397.469 4.330 50 0 GIAARO Cc1nnc2n1CC[N@@H+](Cc1cc3ccc(C)cc3nc1-c1cccs1)CC2 ZINC000072410095 208018829 /nfs/dbraw/zinc/01/88/29/208018829.db2.gz RUSFDKYBABJPQY-UHFFFAOYSA-N 1 0 389.528 4.230 50 0 GIAARO COc1ccc2cc(CN3CC[C@@H]([NH+](C)C)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072419866 208019053 /nfs/dbraw/zinc/01/90/53/208019053.db2.gz FYKCJKWWLHUNRC-OAQYLSRUSA-N 1 0 375.516 4.355 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@](C)(O)C2)c(F)c1 ZINC000072430326 208025000 /nfs/dbraw/zinc/02/50/00/208025000.db2.gz JGPWTTHNOSTZLD-HSZRJFAPSA-N 1 0 395.478 4.034 50 0 GIAARO COc1ccc(-c2nc3c(C)cccc3cc2C[NH+]2CCC(O)CC2)cc1OC ZINC000072447981 208028729 /nfs/dbraw/zinc/02/87/29/208028729.db2.gz NBOVWLNDYHZZJS-UHFFFAOYSA-N 1 0 392.499 4.184 50 0 GIAARO O[C@@H]1CCC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072474207 208029886 /nfs/dbraw/zinc/02/98/86/208029886.db2.gz PWINAMMHOMDPFC-GOSISDBHSA-N 1 0 396.874 4.241 50 0 GIAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000076837365 208037189 /nfs/dbraw/zinc/03/71/89/208037189.db2.gz ZTSSGYVWBPMKLW-UHFFFAOYSA-N 1 0 399.494 4.459 50 0 GIAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cccc4nonc43)CC2)c1 ZINC000077323298 208038458 /nfs/dbraw/zinc/03/84/58/208038458.db2.gz CYSDUYNKCSRISX-UHFFFAOYSA-N 1 0 377.423 4.132 50 0 GIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(-n3cccn3)c2)cc1 ZINC000077375425 208041572 /nfs/dbraw/zinc/04/15/72/208041572.db2.gz RIELLPPZLCAXQE-QHCPKHFHSA-N 1 0 388.515 4.301 50 0 GIAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccc(-c4ccc(C)cc4)o3)C2)CCC1=O ZINC000077355284 208042521 /nfs/dbraw/zinc/04/25/21/208042521.db2.gz NHOGQZNLTVMGDT-DEOSSOPVSA-N 1 0 396.531 4.106 50 0 GIAARO O=C(c1ccc(F)c(Cl)c1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651585 208103269 /nfs/dbraw/zinc/10/32/69/208103269.db2.gz NKGNCYAINVJNQB-UHFFFAOYSA-N 1 0 389.854 4.049 50 0 GIAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](Cc1cccs1)CC2 ZINC000091694334 208131319 /nfs/dbraw/zinc/13/13/19/208131319.db2.gz XSOWXXNAMYETCO-UHFFFAOYSA-N 1 0 376.472 4.041 50 0 GIAARO O=C1CC[C@]2(CCC[N@H+](CCSc3ccccc3)C2)CN1Cc1ccccn1 ZINC000091494063 208119216 /nfs/dbraw/zinc/11/92/16/208119216.db2.gz XGQZZIXPIUVBRU-QHCPKHFHSA-N 1 0 395.572 4.079 50 0 GIAARO O=C1CCC2(CC[NH+](Cc3ccccc3F)CC2)CN1CCc1ccccc1 ZINC000095355538 208159282 /nfs/dbraw/zinc/15/92/82/208159282.db2.gz KRZJTQHMZWZSFF-UHFFFAOYSA-N 1 0 380.507 4.273 50 0 GIAARO O=C(c1nccc2ccccc21)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095361289 208159706 /nfs/dbraw/zinc/15/97/06/208159706.db2.gz SANIXTOKGNDAKR-GHTZIAJQSA-N 1 0 389.474 4.111 50 0 GIAARO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000095451008 208184207 /nfs/dbraw/zinc/18/42/07/208184207.db2.gz KPCYZVOGXOQZAQ-IERDGZPVSA-N 1 0 399.535 4.107 50 0 GIAARO C[C@H](Sc1ccccn1)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000095455899 208185675 /nfs/dbraw/zinc/18/56/75/208185675.db2.gz RZOCAKVOMOODGU-SFHVURJKSA-N 1 0 383.561 4.475 50 0 GIAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](Cc1ccccc1F)CC2 ZINC000095499054 208198697 /nfs/dbraw/zinc/19/86/97/208198697.db2.gz LZFUYGBYQCSEPN-UHFFFAOYSA-N 1 0 386.898 4.494 50 0 GIAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@H]2[NH+](C)C)cc1 ZINC000095501082 208200738 /nfs/dbraw/zinc/20/07/38/208200738.db2.gz CEEQFHUWEZBDKQ-RBUKOAKNSA-N 1 0 376.422 4.184 50 0 GIAARO Clc1ccc2nc(N3CCC([NH2+]CCC[C@@H]4CCOC4)CC3)sc2c1 ZINC000095524728 208221944 /nfs/dbraw/zinc/22/19/44/208221944.db2.gz GPYXJFLUJJLIOO-CQSZACIVSA-N 1 0 379.957 4.325 50 0 GIAARO Cc1noc(C)c1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000096152827 208277507 /nfs/dbraw/zinc/27/75/07/208277507.db2.gz FDASFRDTKKACPM-OAQYLSRUSA-N 1 0 393.531 4.052 50 0 GIAARO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000096139240 208268415 /nfs/dbraw/zinc/26/84/15/208268415.db2.gz LEGIDITWKXSUJB-FQEVSTJZSA-N 1 0 398.551 4.004 50 0 GIAARO COc1cc2nc(-c3ccc([C@@H](C)[NH+]4CCCC4)cc3)nc(N)c2cc1OC ZINC000097601115 208357215 /nfs/dbraw/zinc/35/72/15/208357215.db2.gz KGYDLFYJWGZNHK-CQSZACIVSA-N 1 0 378.476 4.053 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(Br)ccc1Cl ZINC000046989222 208446698 /nfs/dbraw/zinc/44/66/98/208446698.db2.gz JQYYERWDVIUENK-CYBMUJFWSA-N 1 0 387.749 4.487 50 0 GIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000239432924 209018259 /nfs/dbraw/zinc/01/82/59/209018259.db2.gz WXMITVABVFHPFM-IEBWSBKVSA-N 1 0 390.405 4.342 50 0 GIAARO CCN(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cn1 ZINC000241862558 209019373 /nfs/dbraw/zinc/01/93/73/209019373.db2.gz SRAXAECWMRBWAY-UHFFFAOYSA-N 1 0 392.478 4.219 50 0 GIAARO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000241515615 209019391 /nfs/dbraw/zinc/01/93/91/209019391.db2.gz OGNBAVWGCZDVRA-UHFFFAOYSA-N 1 0 395.975 4.197 50 0 GIAARO OCCOCC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247737466 209027361 /nfs/dbraw/zinc/02/73/61/209027361.db2.gz LPHFRUAJDXLOEK-UHFFFAOYSA-N 1 0 393.314 4.095 50 0 GIAARO O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)Nc1ccc(F)cc1F ZINC000013363899 221266507 /nfs/dbraw/zinc/26/65/07/221266507.db2.gz IWAVCBRLZTXASK-UHFFFAOYSA-N 1 0 391.437 4.180 50 0 GIAARO CCOc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000013363868 221267253 /nfs/dbraw/zinc/26/72/53/221267253.db2.gz GBQIBSSOFRNEGN-UHFFFAOYSA-N 1 0 381.520 4.427 50 0 GIAARO CC[NH+](CC)CCCn1c(C)c(C)c2c3nc(-c4cccs4)nn3cnc21 ZINC000015842282 221347450 /nfs/dbraw/zinc/34/74/50/221347450.db2.gz KFZUJSAWWPWQGI-UHFFFAOYSA-N 1 0 382.537 4.156 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCCC2)o1 ZINC000015860165 221348622 /nfs/dbraw/zinc/34/86/22/221348622.db2.gz GEOYMXYJANOIME-QGZVFWFLSA-N 1 0 391.309 4.308 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCC(C)CC2)o1 ZINC000015860304 221348675 /nfs/dbraw/zinc/34/86/75/221348675.db2.gz TVNZDLVRLRCOJR-GOSISDBHSA-N 1 0 390.911 4.210 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000015859711 221348696 /nfs/dbraw/zinc/34/86/96/221348696.db2.gz KCDLKPNRXWTKQN-OAQYLSRUSA-N 1 0 375.472 4.299 50 0 GIAARO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)COc3ccc(Cl)cc3)C2)C1 ZINC000039490111 221890124 /nfs/dbraw/zinc/89/01/24/221890124.db2.gz DDCVJSGBXVLGEQ-OAQYLSRUSA-N 1 0 378.944 4.079 50 0 GIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(-c2ncccn2)cc1 ZINC000426504077 534810635 /nfs/dbraw/zinc/81/06/35/534810635.db2.gz SJLSAPRDJGKFDN-UHFFFAOYSA-N 1 0 378.520 4.062 50 0 GIAARO CC(=O)c1ccc(F)c(-c2cccc(C(=O)N3[C@@H]4CC[C@H]3C[N@H+](C)CC4)c2)c1 ZINC000426602326 527285000 /nfs/dbraw/zinc/28/50/00/527285000.db2.gz DCSYXNUIGYJZTM-UXHICEINSA-N 1 0 380.463 4.004 50 0 GIAARO CCc1cc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)sc1C ZINC000012522079 536132891 /nfs/dbraw/zinc/13/28/91/536132891.db2.gz AUVLWVGYORQMGM-UHFFFAOYSA-N 1 0 377.941 4.276 50 0 GIAARO CN(C)c1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044081753 570235574 /nfs/dbraw/zinc/23/55/74/570235574.db2.gz WHNMOZUDBQFIDQ-UHFFFAOYSA-N 1 0 386.927 4.192 50 0 GIAARO Cc1noc(C)c1CCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048333535 570237668 /nfs/dbraw/zinc/23/76/68/570237668.db2.gz TZMFKMZIBDQWDY-IRXDYDNUSA-N 1 0 383.536 4.018 50 0 GIAARO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000048356655 570242723 /nfs/dbraw/zinc/24/27/23/570242723.db2.gz ZTSRRCYKZSVJTB-UHFFFAOYSA-N 1 0 385.266 4.003 50 0 GIAARO O=C1O[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)Cc2ccccc21 ZINC000113719420 570272543 /nfs/dbraw/zinc/27/25/43/570272543.db2.gz APGYZMYJPIHKQE-FQEVSTJZSA-N 1 0 389.455 4.177 50 0 GIAARO C[NH+](C)CCn1ccc2cc(NC(=O)c3sccc3Br)ccc21 ZINC000051433362 570278324 /nfs/dbraw/zinc/27/83/24/570278324.db2.gz LAECSNLJCAHVCC-UHFFFAOYSA-N 1 0 392.322 4.279 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)[NH+]2CCCC2)cc1 ZINC000035271291 570280281 /nfs/dbraw/zinc/28/02/81/570280281.db2.gz CQSLJXBRRNJIEF-HOIFWPIMSA-N 1 0 394.515 4.147 50 0 GIAARO CC[NH+](CC)[C@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000002500442 570288842 /nfs/dbraw/zinc/28/88/42/570288842.db2.gz NPKQMNSCEOXHMN-YADHBBJMSA-N 1 0 380.513 4.256 50 0 GIAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)c(Br)cc1OCCO ZINC000002882926 570316029 /nfs/dbraw/zinc/31/60/29/570316029.db2.gz PKRADNGMBZZFOT-CQSZACIVSA-N 1 0 394.309 4.070 50 0 GIAARO COc1cccc(C[NH2+]CCCOc2ccccn2)c1OCc1ccccc1F ZINC000113397063 570331394 /nfs/dbraw/zinc/33/13/94/570331394.db2.gz PYNFLPZYAKKNEX-UHFFFAOYSA-N 1 0 396.462 4.367 50 0 GIAARO Cc1ccc(-n2cc(CN3CCC[N@@H+](C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000022891175 570333239 /nfs/dbraw/zinc/33/32/39/570333239.db2.gz RIDMSAPQYLQIMX-UHFFFAOYSA-N 1 0 378.495 4.124 50 0 GIAARO Cc1ccc(OC[C@@H](O)CN2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000000753454 570341508 /nfs/dbraw/zinc/34/15/08/570341508.db2.gz PGOYSHFRKXUBBQ-YADARESESA-N 1 0 390.527 4.391 50 0 GIAARO CCCOc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(OCCC)c1 ZINC000004864297 570350533 /nfs/dbraw/zinc/35/05/33/570350533.db2.gz FCFMEHGPTMQPJT-LJQANCHMSA-N 1 0 379.464 4.111 50 0 GIAARO C[N@@H+](Cc1coc2c(Cl)cc(Cl)cc2c1=O)C[C@@H](O)c1ccccc1 ZINC000023280767 570353918 /nfs/dbraw/zinc/35/39/18/570353918.db2.gz WXAWHHQZFHDPPI-QGZVFWFLSA-N 1 0 378.255 4.265 50 0 GIAARO O=C1c2ccccc2C(=O)N1CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000004128367 570359055 /nfs/dbraw/zinc/35/90/55/570359055.db2.gz PKKFDPNAYUQHQP-UHFFFAOYSA-N 1 0 384.479 4.375 50 0 GIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000004908733 570361817 /nfs/dbraw/zinc/36/18/17/570361817.db2.gz SNJGUULXTCXKFR-UHFFFAOYSA-N 1 0 388.309 4.019 50 0 GIAARO COCc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008232580 570364911 /nfs/dbraw/zinc/36/49/11/570364911.db2.gz FTVRXTPWMIERLH-UHFFFAOYSA-N 1 0 378.472 4.105 50 0 GIAARO Cc1ccc2ccc3cc(C(=O)N4CC[NH+](C5CCCCC5)CC4)[nH]c3c2n1 ZINC000035477819 570366263 /nfs/dbraw/zinc/36/62/63/570366263.db2.gz HNUDUAMNEQXMFL-UHFFFAOYSA-N 1 0 376.504 4.115 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000575620096 570368816 /nfs/dbraw/zinc/36/88/16/570368816.db2.gz IQSBJKVWCYTSNY-MRXNPFEDSA-N 1 0 392.377 4.364 50 0 GIAARO Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC[NH2+]CC2)cc1F ZINC000004960446 570382042 /nfs/dbraw/zinc/38/20/42/570382042.db2.gz ARNVRRWTTDVACN-UHFFFAOYSA-N 1 0 378.451 4.039 50 0 GIAARO CC[NH+](CC)CCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961556 570383030 /nfs/dbraw/zinc/38/30/30/570383030.db2.gz JAYUFHNCEARIBF-UHFFFAOYSA-N 1 0 375.925 4.483 50 0 GIAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](C[C@H]4CC=CCC4)CC3)CC2)c1C ZINC000004561099 570384666 /nfs/dbraw/zinc/38/46/66/570384666.db2.gz FVAAMBZWCCZARO-QFIPXVFZSA-N 1 0 395.591 4.020 50 0 GIAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]C[C@H]1CCCO1 ZINC000004670831 570391768 /nfs/dbraw/zinc/39/17/68/570391768.db2.gz GZDKIPZWTDBSJF-QGZVFWFLSA-N 1 0 394.284 4.436 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)n(-c2ccccc2C)n1 ZINC000032856109 570395320 /nfs/dbraw/zinc/39/53/20/570395320.db2.gz KPLAUDBKOVMQOS-INIZCTEOSA-N 1 0 382.895 4.432 50 0 GIAARO C[NH+]1CCN(c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000004703816 570395731 /nfs/dbraw/zinc/39/57/31/570395731.db2.gz GNRSPNOWBGNOKL-UHFFFAOYSA-N 1 0 385.511 4.209 50 0 GIAARO CSc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1 ZINC000004723243 570397953 /nfs/dbraw/zinc/39/79/53/570397953.db2.gz YAYSZURNRPQFTO-OAQYLSRUSA-N 1 0 380.557 4.205 50 0 GIAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)c1cc2ccccn2c1 ZINC000033138759 570401904 /nfs/dbraw/zinc/40/19/04/570401904.db2.gz LTLDSZKMHQKHST-UHFFFAOYSA-N 1 0 381.907 4.235 50 0 GIAARO O=C(C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F)N[C@@H](c1nccs1)c1ccccc1 ZINC000222309704 570408491 /nfs/dbraw/zinc/40/84/91/570408491.db2.gz JEPWDFXXBQMFNC-BFYDXBDKSA-N 1 0 397.466 4.059 50 0 GIAARO CCCC[N@H+](CC)CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O ZINC000004953960 570419881 /nfs/dbraw/zinc/41/98/81/570419881.db2.gz JBIZDEUAQJOGMC-UHFFFAOYSA-N 1 0 399.560 4.293 50 0 GIAARO Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000044209166 570430591 /nfs/dbraw/zinc/43/05/91/570430591.db2.gz LGXWWLZZLZKCKP-FQEVSTJZSA-N 1 0 393.491 4.041 50 0 GIAARO O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580732 570436460 /nfs/dbraw/zinc/43/64/60/570436460.db2.gz MJIIBLQHNSXJMV-QGZVFWFLSA-N 1 0 378.925 4.124 50 0 GIAARO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)n(-c2ccc(F)cc2)n1 ZINC000011036752 570464576 /nfs/dbraw/zinc/46/45/76/570464576.db2.gz VKJYOVXLSCJASD-UHFFFAOYSA-N 1 0 380.467 4.169 50 0 GIAARO CCCC[N@@H+]1CCCN(c2nc(CCC)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925690 570479687 /nfs/dbraw/zinc/47/96/87/570479687.db2.gz GSOCKWUDRSQGTG-UHFFFAOYSA-N 1 0 392.551 4.080 50 0 GIAARO C[C@](O)(C[NH2+]Cc1c[nH]nc1-c1cccnc1)C(c1ccccc1)c1ccccc1 ZINC000072289916 570482943 /nfs/dbraw/zinc/48/29/43/570482943.db2.gz AFUKSXJKRYSVPX-VWLOTQADSA-N 1 0 398.510 4.144 50 0 GIAARO Clc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000007541315 570507981 /nfs/dbraw/zinc/50/79/81/570507981.db2.gz BWKGWMMNQZDBEF-UHFFFAOYSA-N 1 0 394.331 4.241 50 0 GIAARO O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCC[NH+]1CCCC1 ZINC000064657583 570512225 /nfs/dbraw/zinc/51/22/25/570512225.db2.gz GLYYIKODHXJBFS-UHFFFAOYSA-N 1 0 385.508 4.111 50 0 GIAARO COc1ccc(C[NH+]2CCC(c3noc(C)n3)CC2)cc1SC(F)(F)F ZINC000072304878 570516648 /nfs/dbraw/zinc/51/66/48/570516648.db2.gz VKWYIIWGABHTSV-UHFFFAOYSA-N 1 0 387.427 4.378 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253957 570525651 /nfs/dbraw/zinc/52/56/51/570525651.db2.gz XTKOCDOTGAFRIK-CYBMUJFWSA-N 1 0 384.303 4.442 50 0 GIAARO Cc1cc(N2CCC([N@H+](C)Cc3ncc(-c4ccccc4C)o3)CC2)nc(C)n1 ZINC000072308286 570527536 /nfs/dbraw/zinc/52/75/36/570527536.db2.gz POVMMZMSJSDWHU-UHFFFAOYSA-N 1 0 391.519 4.158 50 0 GIAARO Cc1cccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)c1 ZINC000036100677 570537881 /nfs/dbraw/zinc/53/78/81/570537881.db2.gz UWHWBYHOVJPZKS-UNMCSNQZSA-N 1 0 389.923 4.069 50 0 GIAARO COc1ccc(OC[C@H](O)C[N@H+](CCC(C)C)Cc2ccc(C)s2)cc1 ZINC000036101660 570538636 /nfs/dbraw/zinc/53/86/36/570538636.db2.gz ZPIMSWHJQGUKNP-GOSISDBHSA-N 1 0 377.550 4.353 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCc2ccccc2)cc1 ZINC000036102155 570538981 /nfs/dbraw/zinc/53/89/81/570538981.db2.gz CKPTYSUCFGIZBL-DEOSSOPVSA-N 1 0 391.511 4.275 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036102928 570539388 /nfs/dbraw/zinc/53/93/88/570539388.db2.gz MXVWKJCBAAGITD-NRFANRHFSA-N 1 0 399.462 4.007 50 0 GIAARO COc1ccccc1CN(Cc1ccco1)C[C@@H](O)COc1ccccc1C ZINC000036102710 570539431 /nfs/dbraw/zinc/53/94/31/570539431.db2.gz FJZRESOFYITZHN-HXUWFJFHSA-N 1 0 381.472 4.039 50 0 GIAARO O[C@H](COCc1ccco1)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103517 570540275 /nfs/dbraw/zinc/54/02/75/570540275.db2.gz BVEINMKOZMVSGF-SFHVURJKSA-N 1 0 375.465 4.060 50 0 GIAARO CC[C@H](NC(=O)C1=CC[N@H+](Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1 ZINC000064818066 570553707 /nfs/dbraw/zinc/55/37/07/570553707.db2.gz SESOWYYHEUYOAK-QFIPXVFZSA-N 1 0 382.479 4.234 50 0 GIAARO O[C@@H](C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000022877395 570558953 /nfs/dbraw/zinc/55/89/53/570558953.db2.gz YEGFQLOUOVDCEQ-QHCPKHFHSA-N 1 0 384.951 4.070 50 0 GIAARO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010337928 570569903 /nfs/dbraw/zinc/56/99/03/570569903.db2.gz SMTJZXRVZAPLSQ-UHFFFAOYSA-N 1 0 386.879 4.365 50 0 GIAARO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000225409705 570570572 /nfs/dbraw/zinc/57/05/72/570570572.db2.gz NHPHCBOMXGUBIK-KXBFYZLASA-N 1 0 381.524 4.087 50 0 GIAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 ZINC000011753922 570581647 /nfs/dbraw/zinc/58/16/47/570581647.db2.gz KWPJSUZFJWHTMG-CYBMUJFWSA-N 1 0 384.430 4.268 50 0 GIAARO Cn1c(SCc2ccncc2)nnc1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000011786461 570582444 /nfs/dbraw/zinc/58/24/44/570582444.db2.gz OBGVUNYQYROSEV-QGZVFWFLSA-N 1 0 383.565 4.038 50 0 GIAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000011838391 570586146 /nfs/dbraw/zinc/58/61/46/570586146.db2.gz UTORYZYVFXBPCS-QGZVFWFLSA-N 1 0 398.478 4.305 50 0 GIAARO Cc1nc2sccn2c1CN(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000011820264 570586231 /nfs/dbraw/zinc/58/62/31/570586231.db2.gz GKQJZIJUGPQYMI-HXUWFJFHSA-N 1 0 396.604 4.399 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)/C=C/c2cccs2)C1 ZINC000011842010 570586765 /nfs/dbraw/zinc/58/67/65/570586765.db2.gz WBZHUFZVGIAKOY-YVNCXZRQSA-N 1 0 382.573 4.483 50 0 GIAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1ccc2cc[nH]c2c1 ZINC000011842568 570587289 /nfs/dbraw/zinc/58/72/89/570587289.db2.gz YHVKYAOMXQWRTP-UHFFFAOYSA-N 1 0 393.506 4.334 50 0 GIAARO CCN1C[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1=O ZINC000011873489 570589173 /nfs/dbraw/zinc/58/91/73/570589173.db2.gz KIWUQJIWVDHJMH-SFHVURJKSA-N 1 0 394.563 4.093 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)cc1OC ZINC000011879664 570590937 /nfs/dbraw/zinc/59/09/37/570590937.db2.gz KTVBVZBHMAXCQW-HXUWFJFHSA-N 1 0 390.483 4.347 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000011905236 570591762 /nfs/dbraw/zinc/59/17/62/570591762.db2.gz GUHCCEHZBPEFOO-LJQANCHMSA-N 1 0 379.460 4.282 50 0 GIAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000011935031 570593414 /nfs/dbraw/zinc/59/34/14/570593414.db2.gz QYMQOGLHXQUBCF-GOSISDBHSA-N 1 0 382.470 4.361 50 0 GIAARO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000011938536 570595449 /nfs/dbraw/zinc/59/54/49/570595449.db2.gz IUQMHRARNPKIOY-NRFANRHFSA-N 1 0 396.531 4.339 50 0 GIAARO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2cnn(CC)c2)C1 ZINC000011998177 570597228 /nfs/dbraw/zinc/59/72/28/570597228.db2.gz URRBDKDEXKLBGA-ZRGXPQFDSA-N 1 0 381.520 4.152 50 0 GIAARO Fc1ccccc1-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000011997109 570597336 /nfs/dbraw/zinc/59/73/36/570597336.db2.gz KFWJXWUYLIYJCH-NRFANRHFSA-N 1 0 387.462 4.364 50 0 GIAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012058527 570603485 /nfs/dbraw/zinc/60/34/85/570603485.db2.gz CUGJXDZWSAGTSZ-QHCPKHFHSA-N 1 0 383.536 4.160 50 0 GIAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012058525 570603497 /nfs/dbraw/zinc/60/34/97/570603497.db2.gz CUGJXDZWSAGTSZ-HSZRJFAPSA-N 1 0 383.536 4.160 50 0 GIAARO COc1cccc(C[NH2+]CCCCO)c1OCc1ccc(Cl)cc1Cl ZINC000040720939 570605854 /nfs/dbraw/zinc/60/58/54/570605854.db2.gz QYAFMESBYZSROX-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO COc1cccc(C[NH2+]CCCCCO)c1OCc1c(F)cccc1Cl ZINC000040722482 570606937 /nfs/dbraw/zinc/60/69/37/570606937.db2.gz GYZCQADTEKQDEB-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000005478364 570608550 /nfs/dbraw/zinc/60/85/50/570608550.db2.gz MELPJFLPELMAHW-OAQYLSRUSA-N 1 0 379.479 4.490 50 0 GIAARO COCCC[NH2+]Cc1c(OCC(=O)Nc2ccc(C)cc2)ccc2ccccc21 ZINC000040736408 570609816 /nfs/dbraw/zinc/60/98/16/570609816.db2.gz JLVZYFCMKKTWNL-UHFFFAOYSA-N 1 0 392.499 4.292 50 0 GIAARO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCc1c(F)cccc1Cl ZINC000040737345 570610348 /nfs/dbraw/zinc/61/03/48/570610348.db2.gz XKVBQIYCKIDKJO-OAHLLOKOSA-N 1 0 381.875 4.317 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000040739222 570611165 /nfs/dbraw/zinc/61/11/65/570611165.db2.gz LYRBTIRRDISQIE-GOSISDBHSA-N 1 0 378.310 4.197 50 0 GIAARO COc1ccccc1C[NH2+]Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 ZINC000040739166 570611229 /nfs/dbraw/zinc/61/12/29/570611229.db2.gz 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ZINC000225836165 570623997 /nfs/dbraw/zinc/62/39/97/570623997.db2.gz WCSQIXYLQUYZEM-UHFFFAOYSA-N 1 0 387.936 4.500 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccccc1Cl ZINC000036343920 570626572 /nfs/dbraw/zinc/62/65/72/570626572.db2.gz VIQZCEJXWGAWCU-HXUWFJFHSA-N 1 0 399.922 4.368 50 0 GIAARO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044851423 570635997 /nfs/dbraw/zinc/63/59/97/570635997.db2.gz VPMCGSKSXUQBPN-UHFFFAOYSA-N 1 0 380.532 4.046 50 0 GIAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)c(OC)c1 ZINC000044856818 570637008 /nfs/dbraw/zinc/63/70/08/570637008.db2.gz NZUFOGZNDUIFJZ-OAQYLSRUSA-N 1 0 396.531 4.183 50 0 GIAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000012302660 570637057 /nfs/dbraw/zinc/63/70/57/570637057.db2.gz URGKRPLOUVMIFP-UHFFFAOYSA-N 1 0 391.458 4.332 50 0 GIAARO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856862 570637068 /nfs/dbraw/zinc/63/70/68/570637068.db2.gz HTGZCAZOMNFMEU-HXUWFJFHSA-N 1 0 382.504 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570669784 /nfs/dbraw/zinc/66/97/84/570669784.db2.gz YPHUBUDQALAAQN-QGZVFWFLSA-N 1 0 382.470 4.361 50 0 GIAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@](CO)(CCc3ccccc3)C1)CO2 ZINC000012471227 570672845 /nfs/dbraw/zinc/67/28/45/570672845.db2.gz KOZKNWPFUUCSOB-RUZDIDTESA-N 1 0 393.527 4.178 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(-c3ccco3)cc2)CC1)C1CC1 ZINC000012472484 570673300 /nfs/dbraw/zinc/67/33/00/570673300.db2.gz RHZPNTVGZGZDAD-UHFFFAOYSA-N 1 0 390.487 4.329 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cnn1-c1cccc(F)c1 ZINC000012476806 570673828 /nfs/dbraw/zinc/67/38/28/570673828.db2.gz XPUDRFPGHHXUBJ-MRXNPFEDSA-N 1 0 375.451 4.356 50 0 GIAARO CCOC(=O)C1(CCc2ccccc2)CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000053523792 570675051 /nfs/dbraw/zinc/67/50/51/570675051.db2.gz WDAZKVPZXFGGNF-UHFFFAOYSA-N 1 0 391.515 4.341 50 0 GIAARO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](C2CCCCCCC2)CC1 ZINC000054977536 570679088 /nfs/dbraw/zinc/67/90/88/570679088.db2.gz OMGAMORFJJTYKT-UHFFFAOYSA-N 1 0 386.561 4.259 50 0 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Cc1c(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)cnn1C ZINC000012705043 570700121 /nfs/dbraw/zinc/70/01/21/570700121.db2.gz CEBPUNODRRPYHL-UHFFFAOYSA-N 1 0 389.478 4.319 50 0 GIAARO C[NH+](C)CCCN(C(=O)CCc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000004359616 570706283 /nfs/dbraw/zinc/70/62/83/570706283.db2.gz XOKBEUCCYARKNK-UHFFFAOYSA-N 1 0 385.508 4.353 50 0 GIAARO COc1ccc(C[NH2+]CC(OCc2ccccc2)OCc2ccccc2)cc1O ZINC000003847464 570726303 /nfs/dbraw/zinc/72/63/03/570726303.db2.gz DVJCKPSEAUCXFE-UHFFFAOYSA-N 1 0 393.483 4.250 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(Br)c[nH]1 ZINC000058423302 570732602 /nfs/dbraw/zinc/73/26/02/570732602.db2.gz RLWLXXVKDZIMDQ-UHFFFAOYSA-N 1 0 390.325 4.083 50 0 GIAARO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000058953666 570736178 /nfs/dbraw/zinc/73/61/78/570736178.db2.gz SAHJEIVYOSRXLB-CYBMUJFWSA-N 1 0 377.941 4.376 50 0 GIAARO C[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCCC1 ZINC000012993669 570738935 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CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(C)o3)C2)c1 ZINC000013595961 570761353 /nfs/dbraw/zinc/76/13/53/570761353.db2.gz TWTXHJRWPVVZDC-IBGZPJMESA-N 1 0 382.504 4.099 50 0 GIAARO COCCn1cnc(-c2ccccc2)c1-c1cccc(OCCC[NH+](C)C)c1 ZINC000065375359 570762473 /nfs/dbraw/zinc/76/24/73/570762473.db2.gz YMSQQYUOYUSVON-UHFFFAOYSA-N 1 0 379.504 4.194 50 0 GIAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3c(C)noc3C)cc2)on1 ZINC000065398688 570765858 /nfs/dbraw/zinc/76/58/58/570765858.db2.gz QBCKCGOUDBTSCD-SFHVURJKSA-N 1 0 380.448 4.177 50 0 GIAARO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000013725894 570781855 /nfs/dbraw/zinc/78/18/55/570781855.db2.gz BINMFNJJOXAJMO-SFHVURJKSA-N 1 0 398.547 4.100 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013727675 570782258 /nfs/dbraw/zinc/78/22/58/570782258.db2.gz UZQHQUAEIOUQST-UHFFFAOYSA-N 1 0 390.886 4.160 50 0 GIAARO CCCCc1ncc(C[NH+]2CCC(CO)(Cc3ccc(Cl)cc3)CC2)[nH]1 ZINC000067673484 570785203 /nfs/dbraw/zinc/78/52/03/570785203.db2.gz LMRLFDCMDDPSKD-UHFFFAOYSA-N 1 0 375.944 4.223 50 0 GIAARO C[NH+]1CCN(Cc2ccccc2Oc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000067725476 570788629 /nfs/dbraw/zinc/78/86/29/570788629.db2.gz NCSPEQWHKAVVMB-UHFFFAOYSA-N 1 0 385.817 4.294 50 0 GIAARO CC(C)Nc1ncc(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3)CC2)cn1 ZINC000067756018 570789616 /nfs/dbraw/zinc/78/96/16/570789616.db2.gz JKXYURQWPLXFHQ-UHFFFAOYSA-N 1 0 376.508 4.067 50 0 GIAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067819089 570792926 /nfs/dbraw/zinc/79/29/26/570792926.db2.gz ZLIPGNHCZPGZNR-JOCHJYFZSA-N 1 0 388.515 4.002 50 0 GIAARO CCc1cc2c(ncnc2NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)s1 ZINC000033078221 570804630 /nfs/dbraw/zinc/80/46/30/570804630.db2.gz MCRQXRCCTOIOJG-UHFFFAOYSA-N 1 0 399.539 4.017 50 0 GIAARO COc1ccc([C@H](CNC(=S)Nc2ccc(C(C)=O)cc2)[NH+]2CCCC2)cc1 ZINC000005689791 570811325 /nfs/dbraw/zinc/81/13/25/570811325.db2.gz AOCGNYUDAHXSAW-NRFANRHFSA-N 1 0 397.544 4.021 50 0 GIAARO CCN1C[C@H](C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)Oc2ccccc21 ZINC000032797327 570819431 /nfs/dbraw/zinc/81/94/31/570819431.db2.gz UMYBKGIJJJUCGY-IBGZPJMESA-N 1 0 392.499 4.129 50 0 GIAARO Cc1cc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000071497706 570838711 /nfs/dbraw/zinc/83/87/11/570838711.db2.gz YOYPYXTVQKLYLE-JOCHJYFZSA-N 1 0 383.511 4.210 50 0 GIAARO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)ccc1O ZINC000071711925 570843296 /nfs/dbraw/zinc/84/32/96/570843296.db2.gz ORZRFDLHEAOKPI-NRFANRHFSA-N 1 0 384.495 4.212 50 0 GIAARO CC(C)[C@H]1CN(C(=O)c2cc(C3CC3)no2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071757116 570848403 /nfs/dbraw/zinc/84/84/03/570848403.db2.gz JXRMRJLOUKIHRS-HXUWFJFHSA-N 1 0 385.483 4.064 50 0 GIAARO CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000170591585 570849389 /nfs/dbraw/zinc/84/93/89/570849389.db2.gz POOSMSNWXYCLRC-UHFFFAOYSA-N 1 0 379.485 4.107 50 0 GIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2ccc(F)c(F)c2)CC1 ZINC000043991184 570852694 /nfs/dbraw/zinc/85/26/94/570852694.db2.gz NTQKAOYVIKHUJI-UHFFFAOYSA-N 1 0 390.499 4.329 50 0 GIAARO CC(C)[C@@H]1CN(Cc2cnn(C)c2C2CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071775497 570852842 /nfs/dbraw/zinc/85/28/42/570852842.db2.gz MPGAVGPKXRQLLI-QFIPXVFZSA-N 1 0 384.543 4.169 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000003422572 570866639 /nfs/dbraw/zinc/86/66/39/570866639.db2.gz QWNRXRGBTYLNIS-INIZCTEOSA-N 1 0 381.701 4.135 50 0 GIAARO Clc1ccc(C[N@@H+]2CC[C@H](C3CCN(c4ncnc5[nH]ccc54)CC3)C2)cc1 ZINC000072142162 570869819 /nfs/dbraw/zinc/86/98/19/570869819.db2.gz OIPSFUNCYZYLJL-SFHVURJKSA-N 1 0 395.938 4.350 50 0 GIAARO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568295 570872484 /nfs/dbraw/zinc/87/24/84/570872484.db2.gz KEEXJOUTWAAFLF-FUHWJXTLSA-N 1 0 391.540 4.454 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(Br)cc1 ZINC000012575093 570875383 /nfs/dbraw/zinc/87/53/83/570875383.db2.gz LFAXXHBSTAKRQR-PKOBYXMFSA-N 1 0 385.305 4.206 50 0 GIAARO CCc1ccc([C@H](Nc2ncnc3c2c(Br)nn3C)C(C)C)cc1 ZINC000170620860 570878555 /nfs/dbraw/zinc/87/85/55/570878555.db2.gz WOXUHMKXCQLHPT-OAHLLOKOSA-N 1 0 388.313 4.497 50 0 GIAARO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000170626344 570883421 /nfs/dbraw/zinc/88/34/21/570883421.db2.gz CCQDOXCYMPCLFP-UHFFFAOYSA-N 1 0 383.492 4.153 50 0 GIAARO CCCOc1ccc(OCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000170629011 570884294 /nfs/dbraw/zinc/88/42/94/570884294.db2.gz BVHRXPWSKWWOMS-IBGZPJMESA-N 1 0 396.531 4.196 50 0 GIAARO Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c(C)s1 ZINC000032901797 570899242 /nfs/dbraw/zinc/89/92/42/570899242.db2.gz QBBOLXSIZFXNEL-UHFFFAOYSA-N 1 0 399.560 4.027 50 0 GIAARO CCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccc3[nH+]ccc(N)c3c2)cc1 ZINC000534587803 570905378 /nfs/dbraw/zinc/90/53/78/570905378.db2.gz RJXOOVGMRDSTKB-LJQANCHMSA-N 1 0 375.472 4.125 50 0 GIAARO O=C(COc1ccc(Cl)cc1Cl)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127975 570913472 /nfs/dbraw/zinc/91/34/72/570913472.db2.gz VDBGRBBUSIGPGL-UHFFFAOYSA-N 1 0 385.335 4.143 50 0 GIAARO C[NH+]1CCN(c2ncnc3ccc(-c4ccc(F)c(C(F)(F)F)c4)cc32)CC1 ZINC000534676303 570922588 /nfs/dbraw/zinc/92/25/88/570922588.db2.gz ZAFTXRALANVNSV-UHFFFAOYSA-N 1 0 390.384 4.207 50 0 GIAARO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cn1 ZINC000092786102 570934218 /nfs/dbraw/zinc/93/42/18/570934218.db2.gz WYVPUIRVWQUHJO-QGZVFWFLSA-N 1 0 383.471 4.207 50 0 GIAARO FC(F)(F)Oc1cc(Br)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000225581960 570943314 /nfs/dbraw/zinc/94/33/14/570943314.db2.gz MVYMVCBIMUIPRH-NWDGAFQWSA-N 1 0 379.220 4.386 50 0 GIAARO CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C12CCCC2 ZINC000239653733 570945761 /nfs/dbraw/zinc/94/57/61/570945761.db2.gz BKYFUIGYLYFVDF-TZOQOTQKSA-N 1 0 378.557 4.244 50 0 GIAARO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c1 ZINC000007583235 570949020 /nfs/dbraw/zinc/94/90/20/570949020.db2.gz MXIDQKPJWQYBMX-QFIPXVFZSA-N 1 0 393.531 4.117 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000007598293 570963904 /nfs/dbraw/zinc/96/39/04/570963904.db2.gz NUWOHQGIFKAKRO-HSZRJFAPSA-N 1 0 376.475 4.454 50 0 GIAARO O=C(c1cc(-c2cccc3ccccc32)n[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000044838717 570979013 /nfs/dbraw/zinc/97/90/13/570979013.db2.gz VEXQNPALRHAACZ-UHFFFAOYSA-N 1 0 388.515 4.320 50 0 GIAARO CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccn1 ZINC000252523236 570987586 /nfs/dbraw/zinc/98/75/86/570987586.db2.gz CDYAFYRHGIVVOX-CVDCTZTESA-N 1 0 379.548 4.370 50 0 GIAARO CC[NH+](CC)CCNc1ncnc2c3c4c(c(CC(C)C)nc3oc21)CCC4 ZINC000002196802 570996658 /nfs/dbraw/zinc/99/66/58/570996658.db2.gz YBZJFPGUVGSSIO-UHFFFAOYSA-N 1 0 381.524 4.212 50 0 GIAARO C[C@@H]1C[N@@H+](Cc2ccc(CNCc3c(F)cccc3Cl)cc2)C[C@H](C)O1 ZINC000084706353 571032173 /nfs/dbraw/zinc/03/21/73/571032173.db2.gz PVDPEGNRIXQXPA-IYBDPMFKSA-N 1 0 376.903 4.378 50 0 GIAARO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC(OCC[NH+]3CCCC3)CC1)CC2 ZINC000188158144 823195763 /nfs/dbraw/zinc/19/57/63/823195763.db2.gz CKGXZPCRURIZAO-QHCPKHFHSA-N 1 0 399.579 4.084 50 0 GIAARO CC[NH2+][C@@H](C)C(=O)N1c2ccccc2CCc2ccc(NC(=O)OCC)cc21 ZINC000000586633 817373104 /nfs/dbraw/zinc/37/31/04/817373104.db2.gz SBUCNWCAQMVXRW-HNNXBMFYSA-N 1 0 381.476 4.016 50 0 GIAARO CCSc1nc2sc3c(c2c(NCC[NH+](C)C)n1)C[C@](C)(CC)OC3 ZINC000002434797 817389122 /nfs/dbraw/zinc/38/91/22/817389122.db2.gz LMPOGEWTVZMRJB-SFHVURJKSA-N 1 0 380.583 4.018 50 0 GIAARO Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@@H](C)C[NH+](C(C)C)C(C)C ZINC000002781208 817399727 /nfs/dbraw/zinc/39/97/27/817399727.db2.gz FINJLLXDHQGILN-AAEUAGOBSA-N 1 0 396.885 4.048 50 0 GIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccccn2)c(Cl)c1 ZINC000003025907 817412149 /nfs/dbraw/zinc/41/21/49/817412149.db2.gz WCLYMFGMDPSMLO-HNNXBMFYSA-N 1 0 376.957 4.365 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003215445 817422605 /nfs/dbraw/zinc/42/26/05/817422605.db2.gz STHIRBARALEQPQ-UHFFFAOYSA-N 1 0 382.533 4.063 50 0 GIAARO C[C@@H](NC(=O)c1ccccc1Br)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211567 817422777 /nfs/dbraw/zinc/42/27/77/817422777.db2.gz ASTNGCCWOFJSOJ-CXAGYDPISA-N 1 0 393.350 4.466 50 0 GIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000003552998 817483868 /nfs/dbraw/zinc/48/38/68/817483868.db2.gz ZKEDQZTVUGLOFU-UHFFFAOYSA-N 1 0 397.828 4.363 50 0 GIAARO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000057315487 823279075 /nfs/dbraw/zinc/27/90/75/823279075.db2.gz CWLVUYJERTXOHU-LLVKDONJSA-N 1 0 380.897 4.094 50 0 GIAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]([NH2+]C)c1ccccc1 ZINC000057396074 823289888 /nfs/dbraw/zinc/28/98/88/823289888.db2.gz ZOYLEGWDKPTTCI-LJQANCHMSA-N 1 0 394.496 4.491 50 0 GIAARO CNC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)c1 ZINC000007804668 817921228 /nfs/dbraw/zinc/92/12/28/817921228.db2.gz SZOSKUYISGQFFV-QFIPXVFZSA-N 1 0 381.520 4.095 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)COc1ccc(F)cc1Cl ZINC000007946403 817966880 /nfs/dbraw/zinc/96/68/80/817966880.db2.gz YHXGIOMHIJJHFK-UHFFFAOYSA-N 1 0 378.875 4.016 50 0 GIAARO CC(C)C[NH+](CC(C)C)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000007981302 817975142 /nfs/dbraw/zinc/97/51/42/817975142.db2.gz VANPHANPIVOFEA-UHFFFAOYSA-N 1 0 393.531 4.054 50 0 GIAARO COc1ccc([C@H](CNC(=O)Cc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000008038509 817988037 /nfs/dbraw/zinc/98/80/37/817988037.db2.gz SHRMCPUYMSPURX-NRFANRHFSA-N 1 0 386.923 4.235 50 0 GIAARO CCc1nc(C)c(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]1 ZINC000011664039 818106370 /nfs/dbraw/zinc/10/63/70/818106370.db2.gz AXXGNJRCHLUPRY-IBGZPJMESA-N 1 0 388.987 4.320 50 0 GIAARO CCc1noc(C)c1C(=O)N(CC)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011662425 818106495 /nfs/dbraw/zinc/10/64/95/818106495.db2.gz BBYXNYMIJVKKBB-UHFFFAOYSA-N 1 0 397.563 4.271 50 0 GIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1 ZINC000011843312 818125622 /nfs/dbraw/zinc/12/56/22/818125622.db2.gz WYYWVFUISMIONK-HSZRJFAPSA-N 1 0 382.523 4.314 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)Cc3cscn3)CC2)cc1C ZINC000011967651 818132785 /nfs/dbraw/zinc/13/27/85/818132785.db2.gz FPSNTORPXCRBTH-HXUWFJFHSA-N 1 0 383.561 4.021 50 0 GIAARO COc1cc(Cl)cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1OC ZINC000012191799 818146073 /nfs/dbraw/zinc/14/60/73/818146073.db2.gz NQYPKWXGCLSBGJ-QFIPXVFZSA-N 1 0 389.923 4.174 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1 ZINC000012299804 818153039 /nfs/dbraw/zinc/15/30/39/818153039.db2.gz KDWVGWIYDWJKDQ-HXUWFJFHSA-N 1 0 378.476 4.216 50 0 GIAARO COc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1OC ZINC000012300552 818153170 /nfs/dbraw/zinc/15/31/70/818153170.db2.gz SJAKMYALMVGWDA-QGZVFWFLSA-N 1 0 375.513 4.013 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(F)c1 ZINC000012317399 818154242 /nfs/dbraw/zinc/15/42/42/818154242.db2.gz DWBPXMFGWBUCNA-QHCPKHFHSA-N 1 0 395.478 4.170 50 0 GIAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1)c1cccnc1 ZINC000012440368 818160087 /nfs/dbraw/zinc/16/00/87/818160087.db2.gz VLPLTQOSFSBCGM-HXUWFJFHSA-N 1 0 393.531 4.045 50 0 GIAARO CCOCc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)ccc1OC ZINC000012593967 818169320 /nfs/dbraw/zinc/16/93/20/818169320.db2.gz NOYWGRMNWLPARU-XMMPIXPASA-N 1 0 383.532 4.049 50 0 GIAARO Cc1nc(C[N@@H+](C)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)cs1 ZINC000014994623 818281540 /nfs/dbraw/zinc/28/15/40/818281540.db2.gz IVTKKRMQHXAANW-SFHVURJKSA-N 1 0 377.941 4.118 50 0 GIAARO CCc1cccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)c1 ZINC000020237372 818617717 /nfs/dbraw/zinc/61/77/17/818617717.db2.gz IUPWSOHTDISEOL-UHFFFAOYSA-N 1 0 387.483 4.426 50 0 GIAARO O=c1cc(C2CCC2)nc(-c2cccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)c2)[nH]1 ZINC000023398785 818933688 /nfs/dbraw/zinc/93/36/88/818933688.db2.gz FKXHHLBTZFHYRI-KRWDZBQOSA-N 1 0 391.437 4.479 50 0 GIAARO CCCN(C(=O)Nc1nnc(C2CC2)s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058326169 823378907 /nfs/dbraw/zinc/37/89/07/823378907.db2.gz IYSNBFIKPZUCDA-GOSISDBHSA-N 1 0 399.564 4.324 50 0 GIAARO CC[C@@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000032066294 820893189 /nfs/dbraw/zinc/89/31/89/820893189.db2.gz FRAMBBIAUKELHB-XMMPIXPASA-N 1 0 393.575 4.207 50 0 GIAARO COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c(Cl)cc1O ZINC000039379539 821105290 /nfs/dbraw/zinc/10/52/90/821105290.db2.gz ZTBZMJCFDUAIRI-NRFANRHFSA-N 1 0 378.944 4.142 50 0 GIAARO Cc1sc2ncnc(SCC(=O)Nc3cccc(C[NH+](C)C)c3)c2c1C ZINC000040086943 821133447 /nfs/dbraw/zinc/13/34/47/821133447.db2.gz ZFHQQAWGASJKQD-UHFFFAOYSA-N 1 0 386.546 4.101 50 0 GIAARO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1nc2ccc(Cl)cc2n1C ZINC000179743452 822541207 /nfs/dbraw/zinc/54/12/07/822541207.db2.gz ZXUSJLLBKFPVKB-CQSZACIVSA-N 1 0 399.926 4.268 50 0 GIAARO O=C(Nc1cc(Cl)ccc1Cl)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047323902 822565823 /nfs/dbraw/zinc/56/58/23/822565823.db2.gz APAHZCGCZBQZFP-UHFFFAOYSA-N 1 0 379.291 4.175 50 0 GIAARO C[N@H+](Cc1cccs1)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000048170804 822641998 /nfs/dbraw/zinc/64/19/98/822641998.db2.gz XVDISPLVSGUPBA-UHFFFAOYSA-N 1 0 388.496 4.192 50 0 GIAARO O=C(Nc1cccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)c1)[C@H]1CCCO1 ZINC000186605653 822922485 /nfs/dbraw/zinc/92/24/85/822922485.db2.gz LQHKOQURLKMMOI-JFUPDXTOSA-N 1 0 384.442 4.262 50 0 GIAARO CC(C)NC(=O)c1ccccc1OC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000169765060 823914045 /nfs/dbraw/zinc/91/40/45/823914045.db2.gz MOPOAMXFRDTPKX-LJQANCHMSA-N 1 0 384.495 4.255 50 0 GIAARO c1ccc(-c2nc(-c3ccc(O[C@H]4CC[N@@H+](Cc5ccncc5)C4)cc3)no2)cc1 ZINC000575313280 823952317 /nfs/dbraw/zinc/95/23/17/823952317.db2.gz FLACMTOVSKHSHC-QFIPXVFZSA-N 1 0 398.466 4.452 50 0 GIAARO Cc1c[nH+]c(CC2CCN(C(=O)c3ccsc3)CC2)n1Cc1ccccc1 ZINC000575317127 823952945 /nfs/dbraw/zinc/95/29/45/823952945.db2.gz BUHJDDLYNPBUDL-UHFFFAOYSA-N 1 0 379.529 4.396 50 0 GIAARO O=C(Nc1ncc(Cc2ccccc2Cl)s1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170719285 823953146 /nfs/dbraw/zinc/95/31/46/823953146.db2.gz FNPJULSAWCDFEN-HNNXBMFYSA-N 1 0 390.940 4.089 50 0 GIAARO Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCCN(C(=O)NCc2ccc(F)cc2)C1 ZINC000575547409 823975699 /nfs/dbraw/zinc/97/56/99/823975699.db2.gz BBFBNYQNMPNPIV-GOSISDBHSA-N 1 0 384.499 4.220 50 0 GIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000575545354 823975774 /nfs/dbraw/zinc/97/57/74/823975774.db2.gz HAYJDWVXTPBQTI-IBGZPJMESA-N 1 0 376.504 4.347 50 0 GIAARO COc1ccc(CCC(=O)N2CCC(n3c(C)c[nH+]c3C3CCC3)CC2)cc1 ZINC000575550801 823976449 /nfs/dbraw/zinc/97/64/49/823976449.db2.gz UHPRBRXOVVVNMY-UHFFFAOYSA-N 1 0 381.520 4.264 50 0 GIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000575548657 823976562 /nfs/dbraw/zinc/97/65/62/823976562.db2.gz HZJSWZDHHXAFGB-IBGZPJMESA-N 1 0 376.504 4.347 50 0 GIAARO COC(OC)c1ccc(F)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000328593698 206229739 /nfs/dbraw/zinc/22/97/39/206229739.db2.gz ZSKAUUQVPPXDME-NRFANRHFSA-N 1 0 387.451 4.129 50 0 GIAARO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)o2)c1 ZINC000027572785 206262945 /nfs/dbraw/zinc/26/29/45/206262945.db2.gz RJNZOEHTMMEVHE-PKOBYXMFSA-N 1 0 390.487 4.457 50 0 GIAARO O=C([C@@H]1CC=CCC1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000240122658 206279529 /nfs/dbraw/zinc/27/95/29/206279529.db2.gz WFIFGIMAIHZLPQ-GGAORHGYSA-N 1 0 382.548 4.015 50 0 GIAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N2CCCCC2)C1=O ZINC000002006983 206291823 /nfs/dbraw/zinc/29/18/23/206291823.db2.gz DBAAUQOYQNYJLY-RUZDIDTESA-N 1 0 391.559 4.452 50 0 GIAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000000709132 206317641 /nfs/dbraw/zinc/31/76/41/206317641.db2.gz IFCSSTIXCVNMJQ-UHFFFAOYSA-N 1 0 382.895 4.428 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCCCCC1)C[C@@H](C)CC2 ZINC000000710217 206318073 /nfs/dbraw/zinc/31/80/73/206318073.db2.gz VNWVEUVEWSPJLR-HNNXBMFYSA-N 1 0 392.565 4.254 50 0 GIAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1cc(OC)ccc1OC ZINC000000809663 206323126 /nfs/dbraw/zinc/32/31/26/206323126.db2.gz RUTBUUKAFBRXLT-UHFFFAOYSA-N 1 0 382.508 4.007 50 0 GIAARO CC[NH+](CC)CCSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 ZINC000001051618 206346183 /nfs/dbraw/zinc/34/61/83/206346183.db2.gz PHKAITMLWITDDV-UHFFFAOYSA-N 1 0 391.544 4.462 50 0 GIAARO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 ZINC000001299115 206371376 /nfs/dbraw/zinc/37/13/76/206371376.db2.gz QDROKDULFBSJJP-UHFFFAOYSA-N 1 0 378.303 4.144 50 0 GIAARO COc1ccc(Br)cc1CN1CCC([N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000001166569 206361908 /nfs/dbraw/zinc/36/19/08/206361908.db2.gz PVVZIKSNMTWZHQ-OAHLLOKOSA-N 1 0 381.358 4.154 50 0 GIAARO COc1ccc(Br)cc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000001166204 206362006 /nfs/dbraw/zinc/36/20/06/206362006.db2.gz KORBNMMYEXJGRK-UHFFFAOYSA-N 1 0 381.358 4.298 50 0 GIAARO CC[C@@H](C(=O)Nc1ccc(C(=O)OCC[NH+](CC)CC)cc1)c1ccccc1 ZINC000002069675 206397617 /nfs/dbraw/zinc/39/76/17/206397617.db2.gz PLEZFTVKBZIPBO-OAQYLSRUSA-N 1 0 382.504 4.318 50 0 GIAARO CC(C)CC[N@H+](C)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000002912904 206444996 /nfs/dbraw/zinc/44/49/96/206444996.db2.gz XEGYBNWESDLQHA-UHFFFAOYSA-N 1 0 380.598 4.115 50 0 GIAARO Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)c(C)c1 ZINC000004193220 206507779 /nfs/dbraw/zinc/50/77/79/206507779.db2.gz GGHBDBUTIXDSTP-UHFFFAOYSA-N 1 0 387.483 4.480 50 0 GIAARO COc1ccc(C[NH2+]C[C@@H](CO)[C@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1 ZINC000004764680 206553932 /nfs/dbraw/zinc/55/39/32/206553932.db2.gz QJXSFASBEWVZFZ-DHLKQENFSA-N 1 0 397.559 4.211 50 0 GIAARO CCSc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)C[C@](C)(CC)OC3 ZINC000005151017 206595117 /nfs/dbraw/zinc/59/51/17/206595117.db2.gz VBVYCPRYULAWQC-IBGZPJMESA-N 1 0 394.610 4.408 50 0 GIAARO COc1cccc([C@@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)[NH+]2CCCC2)c1 ZINC000006670208 206662604 /nfs/dbraw/zinc/66/26/04/206662604.db2.gz ZYPHUSHKGQSNFC-HSZRJFAPSA-N 1 0 391.515 4.360 50 0 GIAARO C[C@H](C[NH2+]C[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006584702 206655968 /nfs/dbraw/zinc/65/59/68/206655968.db2.gz VVXCFBGYBYNXQB-AUSIDOKSSA-N 1 0 394.540 4.100 50 0 GIAARO O=C(COc1ccc(F)cc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448570 206712687 /nfs/dbraw/zinc/71/26/87/206712687.db2.gz ZURQILTYIATSRD-UHFFFAOYSA-N 1 0 390.886 4.160 50 0 GIAARO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)cc(OC)c1 ZINC000011947512 206844584 /nfs/dbraw/zinc/84/45/84/206844584.db2.gz UZLSVYIFTCEYFB-INIZCTEOSA-N 1 0 392.565 4.030 50 0 GIAARO O=C(/C=C/c1ccncc1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012449493 206899921 /nfs/dbraw/zinc/89/99/21/206899921.db2.gz PUJVJZKNFRXGIX-YHZGQTRVSA-N 1 0 389.543 4.042 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](C/C=C/c2ccccc2)CC1)C1CCCC1 ZINC000012467958 206903305 /nfs/dbraw/zinc/90/33/05/206903305.db2.gz RFXGUCPYLNUIIY-RMKNXTFCSA-N 1 0 378.520 4.362 50 0 GIAARO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)OCCO2 ZINC000012884461 206946740 /nfs/dbraw/zinc/94/67/40/206946740.db2.gz IYTSFOGNTCMHBY-CYBMUJFWSA-N 1 0 375.852 4.123 50 0 GIAARO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000014197331 207015316 /nfs/dbraw/zinc/01/53/16/207015316.db2.gz MSEFPQPVPFYFCT-SFHVURJKSA-N 1 0 399.491 4.194 50 0 GIAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC000014957202 207032712 /nfs/dbraw/zinc/03/27/12/207032712.db2.gz VGLWFUUNVXDUQO-GOSISDBHSA-N 1 0 380.517 4.013 50 0 GIAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](C2CCCC2)CC1 ZINC000014949648 207032873 /nfs/dbraw/zinc/03/28/73/207032873.db2.gz SSFMHLMEHYYCGV-UHFFFAOYSA-N 1 0 380.536 4.424 50 0 GIAARO COC(=O)CC[C@H](C)[NH+]1CCC(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000014955216 207033523 /nfs/dbraw/zinc/03/35/23/207033523.db2.gz WXODESZMAJMKIW-HNNXBMFYSA-N 1 0 380.916 4.112 50 0 GIAARO Cc1cnc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014959890 207035199 /nfs/dbraw/zinc/03/51/99/207035199.db2.gz LPLBZPBPLXIHJE-DEOSSOPVSA-N 1 0 392.547 4.037 50 0 GIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccccc1F ZINC000014965878 207035609 /nfs/dbraw/zinc/03/56/09/207035609.db2.gz OXPXXWSXUYABOX-HXUWFJFHSA-N 1 0 398.522 4.251 50 0 GIAARO Cl/C(=C\c1ccccc1)C[N@H+]1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000014975075 207036296 /nfs/dbraw/zinc/03/62/96/207036296.db2.gz BRDXIJOHKGCNJS-HKWRFOASSA-N 1 0 378.907 4.007 50 0 GIAARO C[N@@H+]1CCC[C@@H](COc2cccc(CN(C(=O)C3CCCCC3)C3CC3)c2)C1 ZINC000014984962 207039603 /nfs/dbraw/zinc/03/96/03/207039603.db2.gz DRLXSSSNSMJJCD-HXUWFJFHSA-N 1 0 384.564 4.479 50 0 GIAARO Cc1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)s1 ZINC000014881824 207030660 /nfs/dbraw/zinc/03/06/60/207030660.db2.gz ZHWPBIPJACAXOK-UHFFFAOYSA-N 1 0 382.451 4.310 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)Nc3ccccc3F)C2)cc1 ZINC000015076801 207046193 /nfs/dbraw/zinc/04/61/93/207046193.db2.gz XOKIGICAHNMAMV-LJQANCHMSA-N 1 0 399.510 4.253 50 0 GIAARO CN(C(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000015079433 207047269 /nfs/dbraw/zinc/04/72/69/207047269.db2.gz GHXGIZODCKHOAU-NRFANRHFSA-N 1 0 386.923 4.120 50 0 GIAARO C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(C[NH+](C)C)cc4)cc3c2C1 ZINC000015140534 207047820 /nfs/dbraw/zinc/04/78/20/207047820.db2.gz AQNWSKIYNIHNHF-INIZCTEOSA-N 1 0 375.516 4.284 50 0 GIAARO O=C(c1ccnc(Cl)c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000015066301 207041769 /nfs/dbraw/zinc/04/17/69/207041769.db2.gz YNILWQLUZREWEI-OAQYLSRUSA-N 1 0 387.886 4.002 50 0 GIAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2c(C)nc3sccn23)C1 ZINC000015074247 207044402 /nfs/dbraw/zinc/04/44/02/207044402.db2.gz DEHPLDBUVATIAC-QFIPXVFZSA-N 1 0 397.544 4.092 50 0 GIAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCOc3ccc(F)cc3)c2cc1Cl ZINC000015101484 207048393 /nfs/dbraw/zinc/04/83/93/207048393.db2.gz QADFRRMTRRDVJT-UHFFFAOYSA-N 1 0 375.827 4.405 50 0 GIAARO CC(C)[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000017819737 207091077 /nfs/dbraw/zinc/09/10/77/207091077.db2.gz ZBXVSTGPBWLDPQ-UHFFFAOYSA-N 1 0 388.515 4.142 50 0 GIAARO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000018181586 207093486 /nfs/dbraw/zinc/09/34/86/207093486.db2.gz FULQXYBOULYRBB-DEOSSOPVSA-N 1 0 398.506 4.426 50 0 GIAARO O=C1O[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc21 ZINC000019358949 207118071 /nfs/dbraw/zinc/11/80/71/207118071.db2.gz AJBUCGHBYQXDPJ-DEOSSOPVSA-N 1 0 384.479 4.263 50 0 GIAARO O=C1O[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc21 ZINC000019842892 207165855 /nfs/dbraw/zinc/16/58/55/207165855.db2.gz AJBUCGHBYQXDPJ-XMMPIXPASA-N 1 0 384.479 4.263 50 0 GIAARO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000019774463 207161069 /nfs/dbraw/zinc/16/10/69/207161069.db2.gz HQBSCYXQTZRBRR-MRXNPFEDSA-N 1 0 379.435 4.324 50 0 GIAARO CCc1ccc(N2C(=O)C[C@@H]([NH2+]CC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000019925788 207169292 /nfs/dbraw/zinc/16/92/92/207169292.db2.gz RBOLCDLCRARKTC-XMMPIXPASA-N 1 0 398.506 4.303 50 0 GIAARO O[C@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c[nH]c2ccccc21 ZINC000019947508 207173284 /nfs/dbraw/zinc/17/32/84/207173284.db2.gz TXFLYGDCORIQFX-HXUWFJFHSA-N 1 0 389.421 4.042 50 0 GIAARO c1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)CC2)cc1 ZINC000020204764 207182513 /nfs/dbraw/zinc/18/25/13/207182513.db2.gz DFANKQKBGLXRFS-XMMPIXPASA-N 1 0 386.543 4.021 50 0 GIAARO OCC[C@H]1C[N@H+](Cc2ccc(-c3ccco3)cc2)CCN1Cc1ccsc1 ZINC000020294204 207185794 /nfs/dbraw/zinc/18/57/94/207185794.db2.gz JHSBSXIBFOKABW-NRFANRHFSA-N 1 0 382.529 4.077 50 0 GIAARO Cc1ccccc1-c1cccc(CN2CCC[C@H]([NH+]3CCC(CO)CC3)C2)c1 ZINC000020294929 207185923 /nfs/dbraw/zinc/18/59/23/207185923.db2.gz TVKJAKQEIOLNND-DEOSSOPVSA-N 1 0 378.560 4.331 50 0 GIAARO O=C1C[C@H]([NH2+]CCC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Cl)cc1 ZINC000020500403 207198546 /nfs/dbraw/zinc/19/85/46/207198546.db2.gz MXQKYQGONAAXME-NAVXVDNBSA-N 1 0 386.923 4.168 50 0 GIAARO CC(C)[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccccc1 ZINC000020436079 207191871 /nfs/dbraw/zinc/19/18/71/207191871.db2.gz YXWHGGJMMRJFGK-UHFFFAOYSA-N 1 0 391.540 4.160 50 0 GIAARO Cc1cccc(N2CC[N@@H+](Cc3cc(=O)oc4cc(C)cc(C)c34)C[C@H]2C)c1 ZINC000020408183 207191951 /nfs/dbraw/zinc/19/19/51/207191951.db2.gz YFUZCABQQDJMCB-LJQANCHMSA-N 1 0 376.500 4.429 50 0 biogenic,in-vitro GIAARO Clc1cccc(C[N@@H+]2CCC[C@H](c3nc4c5ccccc5ncn4n3)C2)c1 ZINC000020613946 207207066 /nfs/dbraw/zinc/20/70/66/207207066.db2.gz ATILTUOVPOZEQR-INIZCTEOSA-N 1 0 377.879 4.311 50 0 GIAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1cccc(Cl)c1 ZINC000020785694 207215001 /nfs/dbraw/zinc/21/50/01/207215001.db2.gz YQSBSXHEFZCAHP-RTWAWAEBSA-N 1 0 391.987 4.120 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874567 207217064 /nfs/dbraw/zinc/21/70/64/207217064.db2.gz FBBVXOLJXPAGAV-SFHVURJKSA-N 1 0 378.310 4.197 50 0 GIAARO Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C ZINC000020893157 207217987 /nfs/dbraw/zinc/21/79/87/207217987.db2.gz OEKDXASLIVVSJT-UHFFFAOYSA-N 1 0 376.504 4.366 50 0 GIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CC1CCCC1 ZINC000020919174 207220167 /nfs/dbraw/zinc/22/01/67/207220167.db2.gz LHDBKRWWGHMFQP-QFIPXVFZSA-N 1 0 386.580 4.379 50 0 GIAARO COc1cccc(-c2cccc(N3CCC([NH2+][C@@H](C)c4cnn(C)c4)CC3)c2)c1 ZINC000020997814 207223092 /nfs/dbraw/zinc/22/30/92/207223092.db2.gz PDJYHCQVOXYSIW-SFHVURJKSA-N 1 0 390.531 4.415 50 0 GIAARO O=C(CCc1ncc(-c2ccccc2)o1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022010066 207245244 /nfs/dbraw/zinc/24/52/44/207245244.db2.gz OMBLXNKIHLAUGW-UHFFFAOYSA-N 1 0 389.499 4.055 50 0 GIAARO CN(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022075491 207246611 /nfs/dbraw/zinc/24/66/11/207246611.db2.gz IZLAPQKPXILJHA-UHFFFAOYSA-N 1 0 397.744 4.333 50 0 GIAARO CC(C)(C)CC(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000022632187 207257937 /nfs/dbraw/zinc/25/79/37/207257937.db2.gz KOEWBVZMIQAUGZ-UHFFFAOYSA-N 1 0 376.544 4.455 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)CCc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000022700960 207259395 /nfs/dbraw/zinc/25/93/95/207259395.db2.gz YQVGADGXCURRMD-NRFANRHFSA-N 1 0 388.939 4.481 50 0 GIAARO C[N@H+](CCc1ccccn1)Cc1cccc(-c2nc(C3CCCC3)cc(=O)[nH]2)c1 ZINC000023146141 207270570 /nfs/dbraw/zinc/27/05/70/207270570.db2.gz VVRJWLBKRBPPTQ-UHFFFAOYSA-N 1 0 388.515 4.164 50 0 GIAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1cccs1)N1CCCC1)O[C@H](C)C2 ZINC000023257846 207272687 /nfs/dbraw/zinc/27/26/87/207272687.db2.gz YDXKPWSNXKLSLD-APWZRJJASA-N 1 0 386.561 4.397 50 0 GIAARO O=c1cc(C(F)(F)C(F)(F)F)nc(-c2ccccc2C[NH+]2CCCCC2)[nH]1 ZINC000023337934 207275282 /nfs/dbraw/zinc/27/52/82/207275282.db2.gz JYGROQNLYCYNKL-UHFFFAOYSA-N 1 0 387.352 4.489 50 0 GIAARO COc1ccc([C@H](CC(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccc2)cc1 ZINC000012193485 207286465 /nfs/dbraw/zinc/28/64/65/207286465.db2.gz YUEBXBTXGMVDRL-XMMPIXPASA-N 1 0 392.543 4.304 50 0 GIAARO Cn1cccc1[C@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000038489749 207308115 /nfs/dbraw/zinc/30/81/15/207308115.db2.gz KCSOJZYTQTWUNX-KRWDZBQOSA-N 1 0 380.414 4.003 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cccnc1Sc1ccccc1)c1cccs1 ZINC000025664381 207305242 /nfs/dbraw/zinc/30/52/42/207305242.db2.gz WWUADCDVPDYYNV-KRWDZBQOSA-N 1 0 383.542 4.327 50 0 GIAARO COc1ccc([C@@H](Nc2nc3cc(C)nn3c3ccccc23)c2nccn2C)cc1 ZINC000026698091 207317087 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CC(C)CC[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COCc1ccccc1 ZINC000036099798 570538138 /nfs/dbraw/zinc/53/81/38/570538138.db2.gz KZIAMXQBINWXRH-OAQYLSRUSA-N 1 0 377.475 4.391 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2)cc1 ZINC000036102354 570538971 /nfs/dbraw/zinc/53/89/71/570538971.db2.gz WNOVMFBYFKOYGZ-JOCHJYFZSA-N 1 0 395.474 4.276 50 0 GIAARO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103515 570539944 /nfs/dbraw/zinc/53/99/44/570539944.db2.gz BVEINMKOZMVSGF-GOSISDBHSA-N 1 0 375.465 4.060 50 0 GIAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH2+]Cc2ccco2)cc1 ZINC000004918140 570540607 /nfs/dbraw/zinc/54/06/07/570540607.db2.gz KHDQXHOIUIGRRS-LJQANCHMSA-N 1 0 376.456 4.061 50 0 GIAARO COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)[NH+]=C3Nc4ccccc4N32)c1 ZINC000008997657 570545815 /nfs/dbraw/zinc/54/58/15/570545815.db2.gz URNXFPDVZQYHTA-HXUWFJFHSA-N 1 0 377.444 4.264 50 0 GIAARO CC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146323 570549020 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GIAARO CCCSc1nc2c3c(sc2c(NCCCC[NH3+])n1)CC(C)(C)OC3 ZINC000006764467 570575995 /nfs/dbraw/zinc/57/59/95/570575995.db2.gz MZUGEWXPAPPOGU-UHFFFAOYSA-N 1 0 380.583 4.196 50 0 GIAARO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]Cc1ccc(Oc3ncccn3)cc1)CCC2 ZINC000011666030 570578875 /nfs/dbraw/zinc/57/88/75/570578875.db2.gz PUOKKRYRSPNCAK-HXUWFJFHSA-N 1 0 398.470 4.017 50 0 GIAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)n1 ZINC000011667977 570579567 /nfs/dbraw/zinc/57/95/67/570579567.db2.gz AKFJGBRIDLHYFZ-UHFFFAOYSA-N 1 0 392.528 4.364 50 0 GIAARO COc1ccc(F)c(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000011763832 570582044 /nfs/dbraw/zinc/58/20/44/570582044.db2.gz JEXKWZVWRFGTKD-IBGZPJMESA-N 1 0 388.502 4.360 50 0 GIAARO O=C(c1ccc2[nH]cnc2c1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011819908 570586098 /nfs/dbraw/zinc/58/60/98/570586098.db2.gz FKBRQEJMMXZWPE-XMMPIXPASA-N 1 0 394.563 4.461 50 0 GIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000011843387 570587852 /nfs/dbraw/zinc/58/78/52/570587852.db2.gz ZCXUTCYRIRJMMO-QHCPKHFHSA-N 1 0 395.934 4.343 50 0 GIAARO C[NH+](C)CCNC(=O)CCCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000006782876 570590046 /nfs/dbraw/zinc/59/00/46/570590046.db2.gz PFZKWUQAXAUVST-UHFFFAOYSA-N 1 0 397.950 4.344 50 0 GIAARO CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000011880007 570591238 /nfs/dbraw/zinc/59/12/38/570591238.db2.gz KRKLAYZCCWBOTD-QFIPXVFZSA-N 1 0 388.458 4.135 50 0 GIAARO CC(C)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)no1 ZINC000011933350 570593046 /nfs/dbraw/zinc/59/30/46/570593046.db2.gz UGTWBUIHCZDEOK-QFIPXVFZSA-N 1 0 385.483 4.065 50 0 GIAARO O=C(CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1)NC1CC1 ZINC000011936691 570594073 /nfs/dbraw/zinc/59/40/73/570594073.db2.gz NZSQXBRGHQFILI-OAHLLOKOSA-N 1 0 386.927 4.001 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(N(C)C)c2)C1 ZINC000011937108 570594821 /nfs/dbraw/zinc/59/48/21/570594821.db2.gz ADAGLVCGDWXQJB-NRFANRHFSA-N 1 0 393.575 4.088 50 0 GIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000169681289 570601528 /nfs/dbraw/zinc/60/15/28/570601528.db2.gz SDEDZPKGPMPZOG-XZOQPEGZSA-N 1 0 396.531 4.078 50 0 GIAARO COc1ccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)c(OC)c1 ZINC000012057358 570602927 /nfs/dbraw/zinc/60/29/27/570602927.db2.gz JZZWOQPMMNQWLL-UHFFFAOYSA-N 1 0 383.532 4.301 50 0 GIAARO C[NH2+]CCCNCc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000040720423 570605466 /nfs/dbraw/zinc/60/54/66/570605466.db2.gz JZEJEZWJSBWQOQ-UHFFFAOYSA-N 1 0 397.744 4.381 50 0 GIAARO CCOc1cc(CNCCC[NH2+]C)cc(Cl)c1OCc1ccccc1C ZINC000040720510 570605514 /nfs/dbraw/zinc/60/55/14/570605514.db2.gz DFIRGNSZQRNTKI-UHFFFAOYSA-N 1 0 376.928 4.325 50 0 GIAARO CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccn1 ZINC000225703994 570606009 /nfs/dbraw/zinc/60/60/09/570606009.db2.gz CDYAFYRHGIVVOX-AUSIDOKSSA-N 1 0 379.548 4.370 50 0 GIAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1cccc(C)c1 ZINC000040722265 570606922 /nfs/dbraw/zinc/60/69/22/570606922.db2.gz FGUGCQONYSXZIB-JOCHJYFZSA-N 1 0 377.484 4.406 50 0 GIAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)c1OC(C)C ZINC000040728907 570607904 /nfs/dbraw/zinc/60/79/04/570607904.db2.gz CAJLBNWUBSHVEN-KRWDZBQOSA-N 1 0 394.309 4.068 50 0 GIAARO COc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1cccc(C)c1 ZINC000040742415 570612208 /nfs/dbraw/zinc/61/22/08/570612208.db2.gz GIJPCGQKKUVTKL-UHFFFAOYSA-N 1 0 377.912 4.488 50 0 GIAARO Cc1ccoc1C(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012201591 570624537 /nfs/dbraw/zinc/62/45/37/570624537.db2.gz QFHHQQUFCDIIRM-KRWDZBQOSA-N 1 0 388.458 4.241 50 0 GIAARO CC(C)[N@H+](C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000036340963 570625353 /nfs/dbraw/zinc/62/53/53/570625353.db2.gz VIGRXVIHBNIASE-HXUWFJFHSA-N 1 0 387.886 4.497 50 0 GIAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000012306482 570639403 /nfs/dbraw/zinc/63/94/03/570639403.db2.gz URHPYQXCXXUSFX-INIZCTEOSA-N 1 0 380.463 4.421 50 0 GIAARO COC[C@@H](C)[NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000012314024 570640245 /nfs/dbraw/zinc/64/02/45/570640245.db2.gz ULYVUEQOZMAEJF-OAHLLOKOSA-N 1 0 385.895 4.326 50 0 GIAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cnc(N4CCCC4)s3)c2C)cc1 ZINC000012313883 570640381 /nfs/dbraw/zinc/64/03/81/570640381.db2.gz SFDZVHLYDYXXGK-HNNXBMFYSA-N 1 0 397.548 4.097 50 0 GIAARO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000012316508 570641380 /nfs/dbraw/zinc/64/13/80/570641380.db2.gz QEMZJKYKZALZIC-QGZVFWFLSA-N 1 0 393.462 4.319 50 0 GIAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000012317700 570642012 /nfs/dbraw/zinc/64/20/12/570642012.db2.gz FKJFKRVRDQUGEO-HSZRJFAPSA-N 1 0 399.498 4.265 50 0 GIAARO COc1ccc(CNC(=O)C2CC[NH+](C/C(C)=C/c3ccccc3)CC2)cc1 ZINC000012342825 570645240 /nfs/dbraw/zinc/64/52/40/570645240.db2.gz ZDJVJSXETFWTEP-KNTRCKAVSA-N 1 0 378.516 4.127 50 0 GIAARO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000045234082 570647146 /nfs/dbraw/zinc/64/71/46/570647146.db2.gz MJAHOLZGTXVRAP-GOSISDBHSA-N 1 0 379.545 4.174 50 0 GIAARO CC(C)c1nc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000012386146 570650730 /nfs/dbraw/zinc/65/07/30/570650730.db2.gz HELHHASANJPLAU-LJQANCHMSA-N 1 0 385.577 4.436 50 0 GIAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4ccc(CO)o4)C3)ccc2c1 ZINC000012385836 570650757 /nfs/dbraw/zinc/65/07/57/570650757.db2.gz QMKWLEBITKHVCZ-IBGZPJMESA-N 1 0 379.456 4.029 50 0 GIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012387678 570652381 /nfs/dbraw/zinc/65/23/81/570652381.db2.gz ZNVFZCIQHPMDJL-IBGZPJMESA-N 1 0 382.935 4.400 50 0 GIAARO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000072313899 570652860 /nfs/dbraw/zinc/65/28/60/570652860.db2.gz VBBDDTIBBYHHIB-KRWDZBQOSA-N 1 0 385.920 4.327 50 0 GIAARO COc1cccc(CCC(=O)N(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000012442444 570664902 /nfs/dbraw/zinc/66/49/02/570664902.db2.gz ZKQUEZAIANFUCC-QHCPKHFHSA-N 1 0 394.559 4.041 50 0 GIAARO Cc1cc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1Br ZINC000006877296 570665828 /nfs/dbraw/zinc/66/58/28/570665828.db2.gz YCSNIECLZGLAAG-UHFFFAOYSA-N 1 0 380.330 4.097 50 0 GIAARO CCn1ccnc1CN1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012447000 570666776 /nfs/dbraw/zinc/66/67/76/570666776.db2.gz SDLHFSCDEZVDIO-HXUWFJFHSA-N 1 0 386.971 4.291 50 0 GIAARO CC[C@H]1CCCC[N@@H+]1Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O ZINC000012456010 570669257 /nfs/dbraw/zinc/66/92/57/570669257.db2.gz FDHFUWIKZYYPHC-NRFANRHFSA-N 1 0 379.479 4.348 50 0 GIAARO CC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)s1 ZINC000012473509 570673267 /nfs/dbraw/zinc/67/32/67/570673267.db2.gz QXXLDKYLYXYEMO-HSZRJFAPSA-N 1 0 396.556 4.122 50 0 GIAARO O[C@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)COCc1ccccc1Cl ZINC000036396212 570679726 /nfs/dbraw/zinc/67/97/26/570679726.db2.gz YJZKYLICWBIDMW-CRAIPNDOSA-N 1 0 381.900 4.183 50 0 GIAARO Cc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)s1 ZINC000012572301 570681458 /nfs/dbraw/zinc/68/14/58/570681458.db2.gz BVSDGOHFFKJSAT-CQSZACIVSA-N 1 0 397.466 4.112 50 0 GIAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC1 ZINC000055118829 570683629 /nfs/dbraw/zinc/68/36/29/570683629.db2.gz FTBAFWMYSTWYBO-UHFFFAOYSA-N 1 0 397.607 4.120 50 0 GIAARO Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)cn1 ZINC000012586673 570685421 /nfs/dbraw/zinc/68/54/21/570685421.db2.gz YWQKSXWBVNZBLM-IBGZPJMESA-N 1 0 399.485 4.043 50 0 GIAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000055167529 570685407 /nfs/dbraw/zinc/68/54/07/570685407.db2.gz JMVGPHMZIBWYGG-IBGZPJMESA-N 1 0 397.950 4.294 50 0 GIAARO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000155388367 570686230 /nfs/dbraw/zinc/68/62/30/570686230.db2.gz OFNGQTUXXAYQCQ-CQSZACIVSA-N 1 0 383.879 4.437 50 0 GIAARO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000016043237 570686366 /nfs/dbraw/zinc/68/63/66/570686366.db2.gz XPIMRLYLQKZKIJ-YFNKSVMNSA-N 1 0 394.515 4.002 50 0 GIAARO CC[C@@H](COC)[NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1cccc(F)c1 ZINC000012591123 570687167 /nfs/dbraw/zinc/68/71/67/570687167.db2.gz MQRVZQONLUTKMA-IBGZPJMESA-N 1 0 383.467 4.202 50 0 GIAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C3CCCCCC3)C2)CC1 ZINC000055211722 570687481 /nfs/dbraw/zinc/68/74/81/570687481.db2.gz TVPUEFXLLAXUTN-JOCHJYFZSA-N 1 0 383.580 4.078 50 0 GIAARO CC1(CCC(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000012593125 570687933 /nfs/dbraw/zinc/68/79/33/570687933.db2.gz MUPHLYHQERUPHY-OAQYLSRUSA-N 1 0 376.585 4.229 50 0 GIAARO c1ccc(-c2noc(C3CC[NH+](C[C@@H]4CCCN5CCCC[C@H]45)CC3)n2)cc1 ZINC000055269946 570689398 /nfs/dbraw/zinc/68/93/98/570689398.db2.gz CNTYSQHNBQGEKO-LEWJYISDSA-N 1 0 380.536 4.181 50 0 GIAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000004359098 570699359 /nfs/dbraw/zinc/69/93/59/570699359.db2.gz VDGHQULLAIAORW-UHFFFAOYSA-N 1 0 396.541 4.423 50 0 GIAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccc(C)s2)CC1 ZINC000012704688 570699830 /nfs/dbraw/zinc/69/98/30/570699830.db2.gz ZAJQOHMYHNXJFS-UHFFFAOYSA-N 1 0 386.561 4.092 50 0 GIAARO CCn1c(C)c(C)c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000006912793 570699986 /nfs/dbraw/zinc/69/99/86/570699986.db2.gz ZFRNLCITRWEZNT-UHFFFAOYSA-N 1 0 389.543 4.456 50 0 GIAARO COc1ccccc1C(=O)N(CC[NH+](C)C)c1nc2c(cccc2Cl)s1 ZINC000004359325 570701702 /nfs/dbraw/zinc/70/17/02/570701702.db2.gz VGTVLXFAUQVHFI-UHFFFAOYSA-N 1 0 389.908 4.167 50 0 GIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cc(F)ccc3F)oc2C)C1 ZINC000012709932 570701960 /nfs/dbraw/zinc/70/19/60/570701960.db2.gz KGPJWTCKJWWUNS-HNNXBMFYSA-N 1 0 391.462 4.009 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716419 570704466 /nfs/dbraw/zinc/70/44/66/570704466.db2.gz AVWVKWFYLAPAQX-HSZRJFAPSA-N 1 0 394.559 4.284 50 0 GIAARO C[NH+](C)CCCN(C(=O)/C=C/c1cccs1)c1nc2ccc(F)cc2s1 ZINC000004359601 570706326 /nfs/dbraw/zinc/70/63/26/570706326.db2.gz YZZKLDDEYYZLHP-VQHVLOKHSA-N 1 0 389.521 4.495 50 0 GIAARO CC1=NN(c2ccc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC000058003413 570706392 /nfs/dbraw/zinc/70/63/92/570706392.db2.gz NOVDRXPLQVNQMQ-UHFFFAOYSA-N 1 0 382.552 4.001 50 0 GIAARO O=C(C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)Nc1ccc(F)c(F)c1 ZINC000058161176 570712858 /nfs/dbraw/zinc/71/28/58/570712858.db2.gz MIWHRQSXWCVEQU-UHFFFAOYSA-N 1 0 392.409 4.032 50 0 GIAARO O=C(CCc1nc2ccccc2s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006941427 570715033 /nfs/dbraw/zinc/71/50/33/570715033.db2.gz KVUPWMMVFWOZHZ-UHFFFAOYSA-N 1 0 379.529 4.010 50 0 GIAARO CCn1cc(CC[NH+]2CCC(C(=O)Nc3ccc(C)cc3)CC2)c2cccnc21 ZINC000065165013 570720934 /nfs/dbraw/zinc/72/09/34/570720934.db2.gz MGIRFIIOZLIGBC-UHFFFAOYSA-N 1 0 390.531 4.258 50 0 GIAARO Fc1ccc(OCc2noc(C[N@@H+]3CCC[C@@H]3CCc3ccccc3)n2)cc1 ZINC000058277679 570724156 /nfs/dbraw/zinc/72/41/56/570724156.db2.gz HVYZZCYLVZREDZ-LJQANCHMSA-N 1 0 381.451 4.385 50 0 GIAARO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCSc1ccccc1Cl ZINC000058356718 570728914 /nfs/dbraw/zinc/72/89/14/570728914.db2.gz KYCOXOIAUZISGZ-CQSZACIVSA-N 1 0 398.981 4.163 50 0 GIAARO O=C(NCCc1cccc2cccnc21)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058377713 570729712 /nfs/dbraw/zinc/72/97/12/570729712.db2.gz QFXBEKVWTWUIHZ-UHFFFAOYSA-N 1 0 394.563 4.121 50 0 GIAARO Cc1ccc(-n2cc(C[N@H+](C)CCn3ccnc3)c(-c3ccc(F)cc3)n2)cc1 ZINC000059807796 570739240 /nfs/dbraw/zinc/73/92/40/570739240.db2.gz NRUBVOZKZDXMAK-UHFFFAOYSA-N 1 0 389.478 4.315 50 0 GIAARO Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000059987178 570739693 /nfs/dbraw/zinc/73/96/93/570739693.db2.gz SHVQINUWHKOEQQ-UHFFFAOYSA-N 1 0 377.488 4.420 50 0 GIAARO CCOc1c(Br)cc(C[NH2+][C@H]2CCOc3ccccc32)cc1OC ZINC000025357066 570748658 /nfs/dbraw/zinc/74/86/58/570748658.db2.gz FKPBHTUKRNCOBC-INIZCTEOSA-N 1 0 392.293 4.470 50 0 GIAARO c1csc(Cc2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)c1 ZINC000065255050 570752807 /nfs/dbraw/zinc/75/28/07/570752807.db2.gz JOFAGZWXYDEALI-UHFFFAOYSA-N 1 0 393.516 4.225 50 0 GIAARO Cc1ccsc1C[NH2+][C@H]1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)C1 ZINC000065256978 570755567 /nfs/dbraw/zinc/75/55/67/570755567.db2.gz YIDFTRASBNELAU-IBGZPJMESA-N 1 0 392.528 4.072 50 0 GIAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](Cc2cn(CC)nc2C)CC1 ZINC000013595281 570761337 /nfs/dbraw/zinc/76/13/37/570761337.db2.gz ZKQMCVOQCUTTRA-UHFFFAOYSA-N 1 0 397.563 4.380 50 0 GIAARO Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2CC[NH+]2CCC(O)CC2)c1 ZINC000065370086 570761553 /nfs/dbraw/zinc/76/15/53/570761553.db2.gz HRHVUUKXVRDEQJ-UHFFFAOYSA-N 1 0 379.479 4.121 50 0 GIAARO O[C@@H]1CCC[N@H+](CCCn2cnc(-c3ccccc3)c2-c2cc(F)cc(F)c2)C1 ZINC000065508047 570771073 /nfs/dbraw/zinc/77/10/73/570771073.db2.gz JOZPMVLHYGCRFN-OAQYLSRUSA-N 1 0 397.469 4.342 50 0 GIAARO C[NH+](C)CCOc1ccccc1NC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000524735633 570774582 /nfs/dbraw/zinc/77/45/82/570774582.db2.gz OTZDCSDYKFYDLQ-IBGZPJMESA-N 1 0 383.517 4.108 50 0 GIAARO COc1cccc(C[NH+]2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)c1OC ZINC000067447003 570779845 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O=C(NCC[NH+]1CCCCCC1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033129589 570820018 /nfs/dbraw/zinc/82/00/18/570820018.db2.gz FQIXELLIZKMPBM-UHFFFAOYSA-N 1 0 390.487 4.009 50 0 GIAARO Cc1ccc(Nc2nc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)cs2)cc1 ZINC000004675213 570821246 /nfs/dbraw/zinc/82/12/46/570821246.db2.gz GSPAIPSTLMHHAL-UHFFFAOYSA-N 1 0 394.544 4.399 50 0 GIAARO Cc1cc(C[NH2+]CCCn2cnc3ccccc32)c(C)n1-c1ccnn1C(C)C ZINC000012536496 570836179 /nfs/dbraw/zinc/83/61/79/570836179.db2.gz IXURIEXNWLKMRS-UHFFFAOYSA-N 1 0 390.535 4.401 50 0 GIAARO O=C(c1ccccn1)N1CCC([N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071479602 570837911 /nfs/dbraw/zinc/83/79/11/570837911.db2.gz BONNQEKBZFFOCI-HXUWFJFHSA-N 1 0 395.522 4.170 50 0 GIAARO CCc1nccn1CC[N@@H+]1CCC[C@@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000071682107 570842306 /nfs/dbraw/zinc/84/23/06/570842306.db2.gz GVCHYDFSCKJXHT-OAQYLSRUSA-N 1 0 391.515 4.202 50 0 GIAARO CCOC(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000007448992 570844874 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GIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000045438897 570990989 /nfs/dbraw/zinc/99/09/89/570990989.db2.gz UDOJDANEBBAALC-MJGOQNOKSA-N 1 0 397.485 4.380 50 0 GIAARO COc1ccc(F)cc1[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000045743737 570996147 /nfs/dbraw/zinc/99/61/47/570996147.db2.gz HDXBKAPVLHMDOH-KRWDZBQOSA-N 1 0 399.510 4.168 50 0 GIAARO CO[C@H](C)c1nc(CN2CC[NH+]([C@H]3CCCCc4ccccc43)CC2)cs1 ZINC000170656696 570999951 /nfs/dbraw/zinc/99/99/51/570999951.db2.gz DRJOABVYUCRFHF-UTKZUKDTSA-N 1 0 385.577 4.436 50 0 GIAARO COc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3S2)[NH+]2CCCCC2)cc1 ZINC000012750812 571003230 /nfs/dbraw/zinc/00/32/30/571003230.db2.gz QXUSGIVRYVPNOA-IRLDBZIGSA-N 1 0 396.556 4.055 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000007686970 571016247 /nfs/dbraw/zinc/01/62/47/571016247.db2.gz GAHAKULLMXLRNU-HNNXBMFYSA-N 1 0 379.323 4.078 50 0 GIAARO Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000007718890 571020130 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GIAARO COc1ccccc1[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)[NH+]1CCCC1 ZINC000003432625 817454720 /nfs/dbraw/zinc/45/47/20/817454720.db2.gz DTEVWWNOMKIIOG-JOCHJYFZSA-N 1 0 391.515 4.062 50 0 GIAARO COc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1Cl ZINC000003665632 817494327 /nfs/dbraw/zinc/49/43/27/817494327.db2.gz YUIBOUYDLCFHSW-UHFFFAOYSA-N 1 0 383.970 4.171 50 0 GIAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc2ccccc21 ZINC000057289975 823276174 /nfs/dbraw/zinc/27/61/74/823276174.db2.gz GKFXMGXHIPAKBQ-QGZVFWFLSA-N 1 0 387.483 4.256 50 0 GIAARO O=C(CCc1nc2ccccc2s1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011828 817982314 /nfs/dbraw/zinc/98/23/14/817982314.db2.gz VFTCPQJMMDMADA-UHFFFAOYSA-N 1 0 379.529 4.141 50 0 GIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)c1 ZINC000011764351 818118024 /nfs/dbraw/zinc/11/80/24/818118024.db2.gz IENGYQWQRIPTCJ-NRFANRHFSA-N 1 0 377.887 4.305 50 0 GIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c1 ZINC000011764360 818118089 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50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CCc1ccncc1 ZINC000012307407 818153832 /nfs/dbraw/zinc/15/38/32/818153832.db2.gz MHEMIHMJVSAOFT-UHFFFAOYSA-N 1 0 393.575 4.126 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCc1ccccn1 ZINC000012304525 818153906 /nfs/dbraw/zinc/15/39/06/818153906.db2.gz VXXWTFJDZBHLGH-HXUWFJFHSA-N 1 0 399.966 4.081 50 0 GIAARO Cc1ccccc1-c1cnnc(NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000012387268 818156389 /nfs/dbraw/zinc/15/63/89/818156389.db2.gz YNYBPXHMGOGXSR-NRFANRHFSA-N 1 0 387.531 4.214 50 0 GIAARO COc1cc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(C)o3)C2)cc(OC)c1 ZINC000012387173 818156702 /nfs/dbraw/zinc/15/67/02/818156702.db2.gz YWQBGWUENUCJCW-QGZVFWFLSA-N 1 0 386.492 4.236 50 0 GIAARO O=C(c1cccc(OC2CC[NH+](C/C=C/c3ccccc3)CC2)c1)N1CCCC1 ZINC000012439672 818160387 /nfs/dbraw/zinc/16/03/87/818160387.db2.gz YPXPXPPKKMXIGL-JXMROGBWSA-N 1 0 390.527 4.479 50 0 GIAARO COc1cccc(CN2CC[N@H+](Cc3ccc(-c4ccco4)cc3)CCC2=O)c1 ZINC000014987911 818280804 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CCOCc1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OC ZINC000179875198 822569477 /nfs/dbraw/zinc/56/94/77/822569477.db2.gz GNPIQNLFTHYCCQ-UHFFFAOYSA-N 1 0 379.504 4.488 50 0 GIAARO C[N@H+](Cc1ccsc1)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048468436 822665127 /nfs/dbraw/zinc/66/51/27/822665127.db2.gz UKKWHDLNLYTYRG-UHFFFAOYSA-N 1 0 388.496 4.192 50 0 GIAARO Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190575685 823587705 /nfs/dbraw/zinc/58/77/05/823587705.db2.gz HSVRYUQCKDBPLO-KRWDZBQOSA-N 1 0 397.906 4.384 50 0 GIAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000575317577 823953636 /nfs/dbraw/zinc/95/36/36/823953636.db2.gz ODADHBACURKOLC-UHFFFAOYSA-N 1 0 376.504 4.245 50 0 GIAARO Cc1c[nH+]c(CC2CCN(C(=O)c3ccoc3)CC2)n1Cc1ccc(F)cc1 ZINC000575317164 823953835 /nfs/dbraw/zinc/95/38/35/823953835.db2.gz CRQJDKPHOKRIDE-UHFFFAOYSA-N 1 0 381.451 4.067 50 0 GIAARO COc1ccc(CCC(=O)N2CCC[C@@H](Cn3c(C)c[nH+]c3C3CCC3)C2)cc1 ZINC000575547404 823975629 /nfs/dbraw/zinc/97/56/29/823975629.db2.gz AQIFIBALYLTXBL-HXUWFJFHSA-N 1 0 395.547 4.339 50 0 GIAARO COc1ccc(C2(C(=O)N3CCC(n4c(C)c[nH+]c4C4CCC4)CC3)CC2)cc1 ZINC000575551718 823976875 /nfs/dbraw/zinc/97/68/75/823976875.db2.gz YKOJHWREPYXQQO-UHFFFAOYSA-N 1 0 393.531 4.363 50 0 GIAARO CC(C)[N@@H+]1C[C@H](Oc2ccccc2)[C@@H]1C1CCN(C(=O)c2ccsc2)CC1 ZINC000575560431 823977679 /nfs/dbraw/zinc/97/76/79/823977679.db2.gz WPSQYHRBHOGTQU-SFTDATJTSA-N 1 0 384.545 4.141 50 0 GIAARO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127063856 824009677 /nfs/dbraw/zinc/00/96/77/824009677.db2.gz YSYFXIUDSPVWPJ-QGZVFWFLSA-N 1 0 384.545 4.372 50 0 GIAARO Cc1cc(C)c2c(c1)nc(C)cc2C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000426634159 231247576 /nfs/dbraw/zinc/24/75/76/231247576.db2.gz JGYANNQFJBQTSB-RUZDIDTESA-N 1 0 391.559 4.498 50 0 GIAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccccn2)cs1 ZINC000004914617 209120514 /nfs/dbraw/zinc/12/05/14/209120514.db2.gz ATYYXAQYTSSQMS-BZNIZROVSA-N 1 0 382.411 4.212 50 0 GIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@](CO)(CCOc2ccccc2)C1 ZINC000011816501 206225098 /nfs/dbraw/zinc/22/50/98/206225098.db2.gz NGNXLIAMXUWCKN-VFUOJUBFSA-N 1 0 381.516 4.252 50 0 GIAARO Cc1cc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4)CC3)c2cc1Cl ZINC000020412437 206295974 /nfs/dbraw/zinc/29/59/74/206295974.db2.gz VOZJAZPQVOZEIF-UHFFFAOYSA-N 1 0 382.891 4.073 50 0 GIAARO Fc1ccc2nc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)oc2c1 ZINC000095993127 206299700 /nfs/dbraw/zinc/29/97/00/206299700.db2.gz UILYVZBGUXNWOQ-OAHLLOKOSA-N 1 0 377.423 4.132 50 0 GIAARO CCOc1ccc2ccccc2c1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000010329563 206384219 /nfs/dbraw/zinc/38/42/19/206384219.db2.gz GSZAUEOCAQQBCR-HXUWFJFHSA-N 1 0 380.463 4.410 50 0 GIAARO CC1CC[NH+](CCOCCOc2ccc(Br)cc2Cl)CC1 ZINC000002952959 206448699 /nfs/dbraw/zinc/44/86/99/206448699.db2.gz UDGMUTVGJWZWCW-UHFFFAOYSA-N 1 0 376.722 4.230 50 0 GIAARO CC[NH+](CC)C[C@@H](C)CNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000003039299 206454393 /nfs/dbraw/zinc/45/43/93/206454393.db2.gz NIMSLFVIOOATLB-KRWDZBQOSA-N 1 0 376.504 4.005 50 0 GIAARO CC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000004359761 206518257 /nfs/dbraw/zinc/51/82/57/206518257.db2.gz SQUWPGZZFNFKIM-UHFFFAOYSA-N 1 0 399.491 4.237 50 0 GIAARO Cc1ccc2cc3cc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)oc3nc2c1 ZINC000004906455 206569448 /nfs/dbraw/zinc/56/94/48/206569448.db2.gz WQMSEVDJUYHLRE-IRXDYDNUSA-N 1 0 379.504 4.387 50 0 GIAARO CC[C@H](C)[NH2+]C1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000011963926 206845069 /nfs/dbraw/zinc/84/50/69/206845069.db2.gz VEXNOQMRDHDJPN-KRWDZBQOSA-N 1 0 381.520 4.304 50 0 GIAARO CC(=O)c1ccccc1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012703393 206924958 /nfs/dbraw/zinc/92/49/58/206924958.db2.gz MYXBBWMXTAWGAK-UHFFFAOYSA-N 1 0 396.506 4.055 50 0 GIAARO CC(C)c1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(C)C)cc1 ZINC000012903253 206950445 /nfs/dbraw/zinc/95/04/45/206950445.db2.gz DQISDSMCHSLFEH-VFNWGFHPSA-N 1 0 394.519 4.294 50 0 GIAARO COc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013727028 206994687 /nfs/dbraw/zinc/99/46/87/206994687.db2.gz QZBTUDIMUVQIKO-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1 ZINC000014244290 207018362 /nfs/dbraw/zinc/01/83/62/207018362.db2.gz BIKKLJIIVBOMDY-XMMPIXPASA-N 1 0 393.531 4.083 50 0 GIAARO O=C(c1ccnc(Cl)c1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000014967534 207035116 /nfs/dbraw/zinc/03/51/16/207035116.db2.gz MJLJVPWGGAIQCQ-HSZRJFAPSA-N 1 0 397.950 4.296 50 0 GIAARO O=C(c1ccnc(Cl)c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000014980027 207037114 /nfs/dbraw/zinc/03/71/14/207037114.db2.gz ULFLHKAKBFSGFR-OAQYLSRUSA-N 1 0 387.886 4.002 50 0 GIAARO CC(=O)c1cccc(NC(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000014981695 207038271 /nfs/dbraw/zinc/03/82/71/207038271.db2.gz TZBPNWFGNGCHRX-QFIPXVFZSA-N 1 0 379.504 4.060 50 0 GIAARO O=C1CC[C@@H]2C[N@H+](C3CCCC3)CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000014994234 207038471 /nfs/dbraw/zinc/03/84/71/207038471.db2.gz YSTTWQYIFXKALG-APWZRJJASA-N 1 0 380.454 4.461 50 0 GIAARO Cc1nc(N2CCC[C@H]([NH2+]CCc3cccs3)CC2)nc2ccc(F)cc12 ZINC000014987760 207038638 /nfs/dbraw/zinc/03/86/38/207038638.db2.gz FXQLAHGOJJMFRX-KRWDZBQOSA-N 1 0 384.524 4.330 50 0 GIAARO O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1CC1(c2ccccc2)CCCC1 ZINC000014990125 207039279 /nfs/dbraw/zinc/03/92/79/207039279.db2.gz SFCIQUKMDZUFDD-QFIPXVFZSA-N 1 0 377.532 4.064 50 0 GIAARO CCOc1ccc(C[N@@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)cc1CO ZINC000015074444 207045897 /nfs/dbraw/zinc/04/58/97/207045897.db2.gz HXIWFRRTVGLMSL-RUZDIDTESA-N 1 0 397.559 4.175 50 0 GIAARO COC[C@H]1CC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000015068697 207042229 /nfs/dbraw/zinc/04/22/29/207042229.db2.gz YWVYEANCIGQEBY-SFHVURJKSA-N 1 0 379.479 4.455 50 0 GIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)CC1 ZINC000015067031 207042779 /nfs/dbraw/zinc/04/27/79/207042779.db2.gz ICEGCWSIACCNFL-IBGZPJMESA-N 1 0 394.515 4.355 50 0 GIAARO CN(C(=O)C[C@H](c1cccc(O)c1)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000015067618 207043099 /nfs/dbraw/zinc/04/30/99/207043099.db2.gz PCWCHWPQGYKJSB-HXUWFJFHSA-N 1 0 386.923 4.120 50 0 GIAARO O=C(c1ccnc(Cl)c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000015066302 207043273 /nfs/dbraw/zinc/04/32/73/207043273.db2.gz YNILWQLUZREWEI-NRFANRHFSA-N 1 0 387.886 4.002 50 0 GIAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H](CO)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015073869 207044202 /nfs/dbraw/zinc/04/42/02/207044202.db2.gz IEWBYSDEZIQCNQ-SFHVURJKSA-N 1 0 379.479 4.191 50 0 GIAARO Cc1oc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1CSc1ccccc1 ZINC000015682217 207056040 /nfs/dbraw/zinc/05/60/40/207056040.db2.gz RXBLVWBNKPDHQK-UHFFFAOYSA-N 1 0 395.528 4.234 50 0 GIAARO O=C(Nc1ccc(F)cc1Cl)c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000015726972 207056691 /nfs/dbraw/zinc/05/66/91/207056691.db2.gz HZYDLBDEVKLCNS-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO Cc1cccc(-n2ncc(C(=O)Nc3ccc(F)cc3)c2C2CC[NH2+]CC2)c1 ZINC000015726898 207056976 /nfs/dbraw/zinc/05/69/76/207056976.db2.gz KAYJMVHZAZIJBY-UHFFFAOYSA-N 1 0 378.451 4.039 50 0 GIAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862337 207064887 /nfs/dbraw/zinc/06/48/87/207064887.db2.gz HJCMUTHDADPPBB-UHFFFAOYSA-N 1 0 384.451 4.097 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCc3ccccc32)s1 ZINC000015732272 207058089 /nfs/dbraw/zinc/05/80/89/207058089.db2.gz FFYWXNFCGZULKC-QGZVFWFLSA-N 1 0 383.561 4.437 50 0 GIAARO Cc1cc(C)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 ZINC000017317655 207089341 /nfs/dbraw/zinc/08/93/41/207089341.db2.gz GYCLGWPNEHJOPU-UHFFFAOYSA-N 1 0 386.561 4.076 50 0 GIAARO Clc1ccc(CN2CCC[C@@H]([NH2+]Cc3cccn3-c3ccccn3)C2)cc1 ZINC000019223547 207110008 /nfs/dbraw/zinc/11/00/08/207110008.db2.gz HXEBVQRCIPFAPB-HXUWFJFHSA-N 1 0 380.923 4.280 50 0 GIAARO O[C@](C[NH2+]Cc1ccccc1)(c1ccccc1)c1ccc(Br)cc1 ZINC000019205331 207106314 /nfs/dbraw/zinc/10/63/14/207106314.db2.gz FAZOMQARKCSJRS-OAQYLSRUSA-N 1 0 382.301 4.475 50 0 GIAARO COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1Br ZINC000019841270 207165886 /nfs/dbraw/zinc/16/58/86/207165886.db2.gz FLKYUBOFYBGLSZ-UHFFFAOYSA-N 1 0 389.337 4.084 50 0 GIAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019794665 207162565 /nfs/dbraw/zinc/16/25/65/207162565.db2.gz IHZHJTAEUAZBHR-GOSISDBHSA-N 1 0 381.499 4.313 50 0 GIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccccc4F)ccc3n2)CC1 ZINC000020108581 207177796 /nfs/dbraw/zinc/17/77/96/207177796.db2.gz HWRUNWBXXHIFEV-UHFFFAOYSA-N 1 0 392.478 4.077 50 0 GIAARO COc1cccc(-c2ccc(N3CCC([NH2+]Cc4cc(C)n[nH]4)CC3)cc2)c1 ZINC000020138626 207178415 /nfs/dbraw/zinc/17/84/15/207178415.db2.gz VQXURGYLDKDGQH-UHFFFAOYSA-N 1 0 376.504 4.152 50 0 GIAARO CCOc1c(Br)cc(C[NH2+]CCc2ccccc2F)cc1OC ZINC000019922751 207169682 /nfs/dbraw/zinc/16/96/82/207169682.db2.gz KDBKXFFLZHZBOH-UHFFFAOYSA-N 1 0 382.273 4.328 50 0 GIAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2ccccc2F)N1c1ccccc1 ZINC000019938656 207171108 /nfs/dbraw/zinc/17/11/08/207171108.db2.gz LJBRESKVERWPSW-DEOSSOPVSA-N 1 0 397.453 4.260 50 0 GIAARO COc1ccc(F)c(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)c1 ZINC000020206322 207182790 /nfs/dbraw/zinc/18/27/90/207182790.db2.gz SXTFLJKMWSUGRK-UHFFFAOYSA-N 1 0 377.887 4.305 50 0 GIAARO O[C@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000020218831 207183525 /nfs/dbraw/zinc/18/35/25/207183525.db2.gz PXRQAJQMGGXGBO-GOSISDBHSA-N 1 0 384.829 4.214 50 0 GIAARO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC(C)(C)C1 ZINC000020109740 207179323 /nfs/dbraw/zinc/17/93/23/207179323.db2.gz AQXFPFUNXBPFNS-QMMLZNLJSA-N 1 0 394.987 4.054 50 0 GIAARO COc1cccc2ccc(CN3CCC[C@@H]([N@@H+]4CCc5ccccc5C4)C3)nc21 ZINC000020538472 207201620 /nfs/dbraw/zinc/20/16/20/207201620.db2.gz BBNGFUVWNOERJR-HSZRJFAPSA-N 1 0 387.527 4.266 50 0 GIAARO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000020820847 207214742 /nfs/dbraw/zinc/21/47/42/207214742.db2.gz ZJOSHLBLQQIMRO-SFHVURJKSA-N 1 0 383.561 4.011 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874568 207216793 /nfs/dbraw/zinc/21/67/93/207216793.db2.gz FBBVXOLJXPAGAV-GOSISDBHSA-N 1 0 378.310 4.197 50 0 GIAARO O=C(c1ccc(Br)cc1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000020868977 207216937 /nfs/dbraw/zinc/21/69/37/207216937.db2.gz DMCYYQGXWXLINC-SFHVURJKSA-N 1 0 379.342 4.320 50 0 GIAARO O=C(NCc1ccc(F)cc1)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020889841 207217937 /nfs/dbraw/zinc/21/79/37/207217937.db2.gz JOVSKUFBXFICJT-UHFFFAOYSA-N 1 0 389.902 4.191 50 0 GIAARO CN(C)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876519 207218362 /nfs/dbraw/zinc/21/83/62/207218362.db2.gz MHTROIVWLIPJLX-UHFFFAOYSA-N 1 0 397.744 4.333 50 0 GIAARO Clc1ccc2c(c1)C=C(C[NH2+][C@H]1CCCc3c1cnn3-c1ccccn1)CO2 ZINC000020915921 207220012 /nfs/dbraw/zinc/22/00/12/207220012.db2.gz JMOWOAZRDSKLMD-IBGZPJMESA-N 1 0 392.890 4.364 50 0 GIAARO COc1cc(Br)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OC ZINC000020933619 207221558 /nfs/dbraw/zinc/22/15/58/207221558.db2.gz FOLRATIIJZVQPK-UHFFFAOYSA-N 1 0 380.326 4.381 50 0 GIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccccc4C)ccc3n2)CC1 ZINC000021116088 207227364 /nfs/dbraw/zinc/22/73/64/207227364.db2.gz NAFSTLQXXDQCPU-UHFFFAOYSA-N 1 0 388.515 4.246 50 0 GIAARO CCc1ccccc1NC(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000021174773 207227961 /nfs/dbraw/zinc/22/79/61/207227961.db2.gz AAXGQPHJURXNEB-UHFFFAOYSA-N 1 0 394.563 4.200 50 0 GIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)CC1 ZINC000021264527 207228288 /nfs/dbraw/zinc/22/82/88/207228288.db2.gz FIEXPOWZSVJEQK-UHFFFAOYSA-N 1 0 392.478 4.077 50 0 GIAARO Cc1ccc(-c2c3nc(C)cc(NCC[NH+](C)C)n3nc2C(F)(F)F)cc1 ZINC000021799369 207237509 /nfs/dbraw/zinc/23/75/09/207237509.db2.gz QHYTVGPDXRPXQP-UHFFFAOYSA-N 1 0 377.414 4.005 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccccc1 ZINC000021807482 207238727 /nfs/dbraw/zinc/23/87/27/207238727.db2.gz VIPLAUVPJGGVLK-NRFANRHFSA-N 1 0 393.487 4.163 50 0 GIAARO COc1cccc(C[NH2+]CCN(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000022075206 207246212 /nfs/dbraw/zinc/24/62/12/207246212.db2.gz YTGIIRWIHOCROU-UHFFFAOYSA-N 1 0 383.319 4.232 50 0 GIAARO O=C(C[NH2+]C[C@H](c1ccco1)N1CCCCC1)Nc1cccc(Cl)c1Cl ZINC000022038332 207247086 /nfs/dbraw/zinc/24/70/86/207247086.db2.gz WOUORRRYFXIWMF-MRXNPFEDSA-N 1 0 396.318 4.342 50 0 GIAARO COc1cccc([C@H]2CC[N@@H+]2Cc2ccc(-c3nc(C4CC4)cc(=O)[nH]3)cc2)c1 ZINC000023153601 207271070 /nfs/dbraw/zinc/27/10/70/207271070.db2.gz WYKUBRCLXUGOQX-JOCHJYFZSA-N 1 0 387.483 4.270 50 0 GIAARO CC[NH+](CC)[C@@H]1CCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000023359222 207274757 /nfs/dbraw/zinc/27/47/57/207274757.db2.gz BWUSDHMXOSUEPZ-HXUWFJFHSA-N 1 0 382.552 4.154 50 0 GIAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CN1Cc1cccc2ccccc21 ZINC000023362938 207275209 /nfs/dbraw/zinc/27/52/09/207275209.db2.gz BWUHWZWNQPSFRJ-UPVQGACJSA-N 1 0 393.575 4.231 50 0 GIAARO CSc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000022914653 207266135 /nfs/dbraw/zinc/26/61/35/207266135.db2.gz UZKBCLCWWDLMNR-QFIPXVFZSA-N 1 0 399.579 4.334 50 0 GIAARO CCCOc1c(Cl)cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1OCC ZINC000022989533 207267206 /nfs/dbraw/zinc/26/72/06/207267206.db2.gz XSOOGVVRISMREW-UHFFFAOYSA-N 1 0 382.932 4.130 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2)cc1)c1cccs1 ZINC000023845955 207283199 /nfs/dbraw/zinc/28/31/99/207283199.db2.gz KAXSOJNNBNLAAM-FQEVSTJZSA-N 1 0 380.513 4.360 50 0 GIAARO C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)[C@H](O)c1ccc(O)cc1 ZINC000023935785 207284828 /nfs/dbraw/zinc/28/48/28/207284828.db2.gz QTHMKDAEOJUAAD-RBZFPXEDSA-N 1 0 380.469 4.474 50 0 GIAARO COc1ccc(NC(=O)CCC2CC[NH+](Cc3cccc(C)n3)CC2)c(OC)c1 ZINC000012308859 207288050 /nfs/dbraw/zinc/28/80/50/207288050.db2.gz LONNKVXFRRFDKW-UHFFFAOYSA-N 1 0 397.519 4.038 50 0 GIAARO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024666587 207292763 /nfs/dbraw/zinc/29/27/63/207292763.db2.gz IOOAEGUWDYFVMM-INIZCTEOSA-N 1 0 390.443 4.266 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc(C)cc2)C2CC2)n(-c2ccc(F)cc2)n1 ZINC000024761807 207294094 /nfs/dbraw/zinc/29/40/94/207294094.db2.gz XKYSRLOFELAHHV-HSZRJFAPSA-N 1 0 392.478 4.308 50 0 GIAARO Cc1ccc(OCCC[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1C ZINC000025927789 207306810 /nfs/dbraw/zinc/30/68/10/207306810.db2.gz DLZRXPLLBPUSEJ-UHFFFAOYSA-N 1 0 380.532 4.101 50 0 GIAARO O=C(CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1Cl ZINC000025934804 207307438 /nfs/dbraw/zinc/30/74/38/207307438.db2.gz XPFPWZBXOPMSSI-UHFFFAOYSA-N 1 0 389.902 4.016 50 0 GIAARO COc1ccc(NC(=O)[C@@H](NCCC[NH+]2CCC(C)CC2)c2ccccc2)cc1 ZINC000025210903 207301420 /nfs/dbraw/zinc/30/14/20/207301420.db2.gz BOTGNHPHVCCKGW-QHCPKHFHSA-N 1 0 395.547 4.087 50 0 GIAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025329903 207302264 /nfs/dbraw/zinc/30/22/64/207302264.db2.gz WWXAMOBVFAQHOO-XHDPSFHLSA-N 1 0 387.332 4.241 50 0 GIAARO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C)n1Cc1ccco1 ZINC000025451795 207304205 /nfs/dbraw/zinc/30/42/05/207304205.db2.gz BETQPHHOOGGKAV-OAQYLSRUSA-N 1 0 395.503 4.296 50 0 GIAARO Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000026924710 207320650 /nfs/dbraw/zinc/32/06/50/207320650.db2.gz QNTMTAXREUYAJH-HSZRJFAPSA-N 1 0 395.522 4.010 50 0 GIAARO CCOc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1 ZINC000027794415 207332154 /nfs/dbraw/zinc/33/21/54/207332154.db2.gz FMHKSNDPYPUKBH-QFIPXVFZSA-N 1 0 382.504 4.051 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1C ZINC000027989231 207333924 /nfs/dbraw/zinc/33/39/24/207333924.db2.gz DKFLBNPPFWRFTL-FQEVSTJZSA-N 1 0 386.561 4.477 50 0 GIAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)NCCC1=CCCCC1 ZINC000027235880 207324546 /nfs/dbraw/zinc/32/45/46/207324546.db2.gz QMBNUTKJDAOQNB-UHFFFAOYSA-N 1 0 384.520 4.167 50 0 GIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012575795 207324632 /nfs/dbraw/zinc/32/46/32/207324632.db2.gz WKQMVSYIXXUOOF-XMMPIXPASA-N 1 0 389.499 4.086 50 0 GIAARO COc1ccc2c(c1)C=C(C[NH2+][C@@H](C)c1cnn(-c3ccccc3)c1C)CO2 ZINC000012589857 207326373 /nfs/dbraw/zinc/32/63/73/207326373.db2.gz YQPKUPKVQWXTGG-INIZCTEOSA-N 1 0 375.472 4.316 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCCC2)cc1 ZINC000027581575 207326596 /nfs/dbraw/zinc/32/65/96/207326596.db2.gz MWYBYSOPODMXAV-QHCPKHFHSA-N 1 0 380.532 4.334 50 0 GIAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027667751 207328302 /nfs/dbraw/zinc/32/83/02/207328302.db2.gz NRVYPBCJWRKHGU-NRFANRHFSA-N 1 0 382.504 4.051 50 0 GIAARO CC[NH+](CC)Cc1cccc(NC(=O)CSCC(=O)Nc2cccc(C)c2)c1 ZINC000040086910 207337704 /nfs/dbraw/zinc/33/77/04/207337704.db2.gz OWZNFSCRLAZGGX-UHFFFAOYSA-N 1 0 399.560 4.147 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1cc(=O)c2ccccc2o1 ZINC000028289942 207339688 /nfs/dbraw/zinc/33/96/88/207339688.db2.gz UQIQZOMHRVWOPM-QGZVFWFLSA-N 1 0 396.512 4.202 50 0 GIAARO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)oc2c1 ZINC000028291757 207339883 /nfs/dbraw/zinc/33/98/83/207339883.db2.gz VPIHOXFXGDZXMI-HXUWFJFHSA-N 1 0 390.483 4.058 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1 ZINC000030710725 207373142 /nfs/dbraw/zinc/37/31/42/207373142.db2.gz NHBBVLFAOPNVGJ-IBGZPJMESA-N 1 0 397.569 4.468 50 0 GIAARO COc1ccc([C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)N(C)C)cc1 ZINC000030545131 207371041 /nfs/dbraw/zinc/37/10/41/207371041.db2.gz JHHHPHVRUXNKOZ-QHCPKHFHSA-N 1 0 391.515 4.062 50 0 GIAARO COc1ccc([C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)N(C)C)cc1 ZINC000030545130 207371216 /nfs/dbraw/zinc/37/12/16/207371216.db2.gz JHHHPHVRUXNKOZ-HSZRJFAPSA-N 1 0 391.515 4.062 50 0 GIAARO C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(-n2cncn2)cc1 ZINC000030545433 207372138 /nfs/dbraw/zinc/37/21/38/207372138.db2.gz XNXAARQMJJSBGH-SFHVURJKSA-N 1 0 385.471 4.092 50 0 GIAARO CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)no2)cc1 ZINC000032622802 207398672 /nfs/dbraw/zinc/39/86/72/207398672.db2.gz TUPOIFADLHCNRH-OAQYLSRUSA-N 1 0 393.487 4.081 50 0 GIAARO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031419 207507859 /nfs/dbraw/zinc/50/78/59/207507859.db2.gz QKNQGQWGVUTNJZ-IBGZPJMESA-N 1 0 377.912 4.247 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)ncn3C2CCCC2)C1 ZINC000037868662 207550612 /nfs/dbraw/zinc/55/06/12/207550612.db2.gz MXDHDTCJBCRPJV-QZTJIDSGSA-N 1 0 382.552 4.249 50 0 GIAARO Cc1nc(-c2ccc(CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)cs1 ZINC000040073699 207573975 /nfs/dbraw/zinc/57/39/75/207573975.db2.gz QMFUKAPLKUJMPZ-NRFANRHFSA-N 1 0 391.540 4.052 50 0 GIAARO Brc1ccc2c(ccc(OC3CC[NH2+]CC3)c2Br)c1 ZINC000042774534 207624297 /nfs/dbraw/zinc/62/42/97/207624297.db2.gz VKNQHVDKUPQICD-UHFFFAOYSA-N 1 0 385.099 4.496 50 0 GIAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000045270685 207653757 /nfs/dbraw/zinc/65/37/57/207653757.db2.gz SMTBFEOKBZPPER-KRWDZBQOSA-N 1 0 381.973 4.297 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1cccc(OC(F)F)c1)CC(C)C ZINC000058161817 207765710 /nfs/dbraw/zinc/76/57/10/207765710.db2.gz LCBDGIJKTXXCTM-QGZVFWFLSA-N 1 0 385.499 4.186 50 0 GIAARO Cc1ccc(-n2cc(CN3CC[N@H+](C)[C@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000072407896 208015354 /nfs/dbraw/zinc/01/53/54/208015354.db2.gz BVZILWMMTCOXFM-GOSISDBHSA-N 1 0 378.495 4.123 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000072424098 208021036 /nfs/dbraw/zinc/02/10/36/208021036.db2.gz ACGKFIPPVJEAOD-LJQANCHMSA-N 1 0 396.485 4.262 50 0 GIAARO CC[NH+]1CCN(Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)CC1 ZINC000072423456 208021721 /nfs/dbraw/zinc/02/17/21/208021721.db2.gz RQGNFUIPMHXIAY-UHFFFAOYSA-N 1 0 398.551 4.494 50 0 GIAARO Cn1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072422252 208022987 /nfs/dbraw/zinc/02/29/87/208022987.db2.gz RAKZBNWMXMGCTE-HSZRJFAPSA-N 1 0 378.564 4.415 50 0 GIAARO CC(C)(O)CCc1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)cc1 ZINC000072432765 208023997 /nfs/dbraw/zinc/02/39/97/208023997.db2.gz PCIMNTQPRQOJTJ-UHFFFAOYSA-N 1 0 379.500 4.052 50 0 GIAARO OC[C@@H]1C=CC[N@@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072478826 208032862 /nfs/dbraw/zinc/03/28/62/208032862.db2.gz VLTNTYCMHVQKDT-SFHVURJKSA-N 1 0 394.858 4.017 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc(Cl)c1OC ZINC000079114566 208073634 /nfs/dbraw/zinc/07/36/34/208073634.db2.gz LCSKPJGEJUSCKF-KRWDZBQOSA-N 1 0 378.900 4.267 50 0 GIAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)o1 ZINC000091747091 208134743 /nfs/dbraw/zinc/13/47/43/208134743.db2.gz AKQOADDEKYRNEU-LJQANCHMSA-N 1 0 395.547 4.381 50 0 GIAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000089505827 208103868 /nfs/dbraw/zinc/10/38/68/208103868.db2.gz ZTLMRNFGONXOHT-LPHOPBHVSA-N 1 0 392.588 4.127 50 0 GIAARO CC(C)(C)c1cc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)[nH]n1 ZINC000091416599 208115807 /nfs/dbraw/zinc/11/58/07/208115807.db2.gz FRYNCPMHPNMUQT-UHFFFAOYSA-N 1 0 394.563 4.112 50 0 GIAARO COc1ccc([C@@H]2CN(C(=O)c3cc(C)cc(C)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095354406 208157782 /nfs/dbraw/zinc/15/77/82/208157782.db2.gz GNINYODMWLGQHQ-RBZQAINGSA-N 1 0 390.527 4.014 50 0 GIAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccn3C3CC3)CC2)C1 ZINC000095362632 208165070 /nfs/dbraw/zinc/16/50/70/208165070.db2.gz OUEVLYLBDWQRTE-FQEVSTJZSA-N 1 0 377.532 4.165 50 0 GIAARO O=C1CCC2(CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CN1Cc1ccncc1 ZINC000092046923 208147032 /nfs/dbraw/zinc/14/70/32/208147032.db2.gz CUKUUVLXGJJJBL-OWOJBTEDSA-N 1 0 393.506 4.139 50 0 GIAARO CC(C)n1cccc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000095389559 208174710 /nfs/dbraw/zinc/17/47/10/208174710.db2.gz IVGOFMBFLOEWRP-OAQYLSRUSA-N 1 0 379.548 4.411 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccccn2)CC1 ZINC000095505541 208208741 /nfs/dbraw/zinc/20/87/41/208208741.db2.gz NOSBFSGCQILBEE-UHFFFAOYSA-N 1 0 395.547 4.101 50 0 GIAARO C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000095455898 208185959 /nfs/dbraw/zinc/18/59/59/208185959.db2.gz RZOCAKVOMOODGU-GOSISDBHSA-N 1 0 383.561 4.475 50 0 GIAARO CC(C)(C)OC(=O)C1CCC([N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)CC1 ZINC000095457085 208186248 /nfs/dbraw/zinc/18/62/48/208186248.db2.gz JMSFUKUTWUYMPM-ABHNRTSZSA-N 1 0 388.556 4.042 50 0 GIAARO Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466143 208188282 /nfs/dbraw/zinc/18/82/82/208188282.db2.gz WUAHZZAYHJMNGF-QFBILLFUSA-N 1 0 385.577 4.290 50 0 GIAARO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000095466614 208189824 /nfs/dbraw/zinc/18/98/24/208189824.db2.gz XMLLCCIUXLDPIX-SCLBCKFNSA-N 1 0 397.382 4.224 50 0 GIAARO C[NH+](C)CCCn1cnc2cc(NC(=O)CCc3c[nH]c4ccccc34)ccc21 ZINC000095476927 208193576 /nfs/dbraw/zinc/19/35/76/208193576.db2.gz XYYISFIMZBQODR-UHFFFAOYSA-N 1 0 389.503 4.041 50 0 GIAARO C[C@H]1CCCN(C(=O)c2ccc(NC3CC[NH+](CC4CCCC4)CC3)nc2)C1 ZINC000095958809 208243286 /nfs/dbraw/zinc/24/32/86/208243286.db2.gz BHSVIPQUSSTWKW-SFHVURJKSA-N 1 0 384.568 4.020 50 0 GIAARO CC(C)c1ncc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513287 208212792 /nfs/dbraw/zinc/21/27/92/208212792.db2.gz MRGFGWVDJFZNSO-FQEVSTJZSA-N 1 0 384.543 4.126 50 0 GIAARO COCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000095511404 208214635 /nfs/dbraw/zinc/21/46/35/208214635.db2.gz CLSDALUQKNANJU-IBGZPJMESA-N 1 0 377.488 4.132 50 0 GIAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@H+](CCc2ncc[nH]2)C1 ZINC000095519245 208215945 /nfs/dbraw/zinc/21/59/45/208215945.db2.gz PKFOHCZYRXSQKX-IBGZPJMESA-N 1 0 392.478 4.109 50 0 GIAARO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cc5ccccc5[nH]c4=O)CC3)c2c1 ZINC000095957531 208244488 /nfs/dbraw/zinc/24/44/88/208244488.db2.gz YRVYXUBYWIQRGC-UHFFFAOYSA-N 1 0 385.467 4.307 50 0 GIAARO Cn1ncc2ccc(NC(=O)N3CCC[C@H]3c3ccc(C[NH+](C)C)cc3)cc21 ZINC000096139652 208271235 /nfs/dbraw/zinc/27/12/35/208271235.db2.gz GIDFEPHKAQMLJZ-FQEVSTJZSA-N 1 0 377.492 4.004 50 0 GIAARO Cn1ncc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(C[NH+](C)C)cc3)cc21 ZINC000096139651 208272429 /nfs/dbraw/zinc/27/24/29/208272429.db2.gz GIDFEPHKAQMLJZ-HXUWFJFHSA-N 1 0 377.492 4.004 50 0 GIAARO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2cc(=O)n3ccccc3n2)C(C)(C)O1 ZINC000095992736 208250702 /nfs/dbraw/zinc/25/07/02/208250702.db2.gz WWFABCKCCQREMI-FQEVSTJZSA-N 1 0 391.515 4.043 50 0 GIAARO COc1cccc([C@@H]([NH2+]C2CCC(NC(C)=O)CC2)c2ccccc2Cl)c1 ZINC000095995560 208250764 /nfs/dbraw/zinc/25/07/64/208250764.db2.gz TUCNBDFKCPAJOY-RWWKDMOOSA-N 1 0 386.923 4.475 50 0 GIAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2cccc(F)c2)c1 ZINC000096130545 208267025 /nfs/dbraw/zinc/26/70/25/208267025.db2.gz ZREOLLFCSWGLCP-OAQYLSRUSA-N 1 0 385.483 4.067 50 0 GIAARO COc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(F)c1 ZINC000096138007 208267739 /nfs/dbraw/zinc/26/77/39/208267739.db2.gz LFHGWTXRSYWRPM-UHFFFAOYSA-N 1 0 385.483 4.007 50 0 GIAARO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000096139241 208268128 /nfs/dbraw/zinc/26/81/28/208268128.db2.gz LEGIDITWKXSUJB-HXUWFJFHSA-N 1 0 398.551 4.004 50 0 GIAARO CC(C)c1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23c2ccccc2NC3=O)cc1 ZINC000096286768 208302664 /nfs/dbraw/zinc/30/26/64/208302664.db2.gz KNLAEBGKXUCZJK-DRMXPCRNSA-N 1 0 389.499 4.080 50 0 GIAARO C[NH+](C)C[C@H](NC(=O)/C=C\c1cc(Br)ccc1F)c1ccccc1 ZINC000096920596 208326622 /nfs/dbraw/zinc/32/66/22/208326622.db2.gz OPBBELZPZJYMCZ-YFWYWMRJSA-N 1 0 391.284 4.021 50 0 GIAARO O=C(Cc1ccc(Cl)cc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988774 208796250 /nfs/dbraw/zinc/79/62/50/208796250.db2.gz XHOBVJFSAQTGBR-KRWDZBQOSA-N 1 0 381.303 4.472 50 0 GIAARO CCCCO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)C1(C)C ZINC000239653739 209017223 /nfs/dbraw/zinc/01/72/23/209017223.db2.gz BKYZYPKGXQTQJP-STQMWFEESA-N 1 0 398.301 4.166 50 0 GIAARO CCCCO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)C1(C)C ZINC000239653737 209017792 /nfs/dbraw/zinc/01/77/92/209017792.db2.gz BKYZYPKGXQTQJP-OLZOCXBDSA-N 1 0 398.301 4.166 50 0 GIAARO Cc1cccc2cc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c(Cl)nc12 ZINC000241707037 209020084 /nfs/dbraw/zinc/02/00/84/209020084.db2.gz QMDGUWPWJWLCNX-UYAOXDASSA-N 1 0 379.891 4.372 50 0 GIAARO Cc1cccc2cc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c(Cl)nc12 ZINC000241707034 209020396 /nfs/dbraw/zinc/02/03/96/209020396.db2.gz QMDGUWPWJWLCNX-AZUAARDMSA-N 1 0 379.891 4.372 50 0 GIAARO Fc1ccc2[nH]c(C3CC[NH+](Cc4cc(-c5ccncc5)no4)CC3)nc2c1 ZINC000243956971 209021851 /nfs/dbraw/zinc/02/18/51/209021851.db2.gz CFAOFMGMHPSOIT-UHFFFAOYSA-N 1 0 377.423 4.132 50 0 GIAARO Cc1cccc(Cn2nc(C[NH2+]C[C@@H](O)c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000247915021 209030203 /nfs/dbraw/zinc/03/02/03/209030203.db2.gz MHQNSSGBQKWGGM-XMMPIXPASA-N 1 0 398.510 4.125 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccc(N2CCCC2)cc1 ZINC000299790457 209087861 /nfs/dbraw/zinc/08/78/61/209087861.db2.gz BGUPBUOMJMYPIO-HSZRJFAPSA-N 1 0 377.532 4.244 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)n(-c2ccc(F)cc2)n1 ZINC000012754353 221225741 /nfs/dbraw/zinc/22/57/41/221225741.db2.gz IKKJCZCBOXREIF-JOCHJYFZSA-N 1 0 380.467 4.245 50 0 GIAARO CCOc1ccccc1NC(=O)NCC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000013363908 221267120 /nfs/dbraw/zinc/26/71/20/221267120.db2.gz HDIVBILLAQFMFZ-UHFFFAOYSA-N 1 0 399.510 4.301 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2cccs2)on1 ZINC000015859697 221348541 /nfs/dbraw/zinc/34/85/41/221348541.db2.gz LVGYGRDIFVLFRG-OAHLLOKOSA-N 1 0 387.530 4.422 50 0 GIAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)cc1Cl ZINC000426471575 533569879 /nfs/dbraw/zinc/56/98/79/533569879.db2.gz NXRKNIXFUGTWTB-JRGCBEDISA-N 1 0 379.928 4.287 50 0 GIAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000055368589 132445546 /nfs/dbraw/zinc/44/55/46/132445546.db2.gz XFXAKOVAWUSHIP-NRFANRHFSA-N 1 0 397.950 4.075 50 0 GIAARO Cc1cc(C)nc(C[N@@H+](C)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000095373154 136178561 /nfs/dbraw/zinc/17/85/61/136178561.db2.gz LUUNLGFIUUBMNH-UHFFFAOYSA-N 1 0 378.442 4.213 50 0 GIAARO CC[NH+](CC)CCNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491718 209080746 /nfs/dbraw/zinc/08/07/46/209080746.db2.gz FHLINZFBXKDRLB-UHFFFAOYSA-N 1 0 397.954 4.078 50 0 GIAARO O=C(c1ccc(-c2ccc(F)cc2O)cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000426442463 534680614 /nfs/dbraw/zinc/68/06/14/534680614.db2.gz ASUIRLINIAMJBO-FQEVSTJZSA-N 1 0 382.479 4.289 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)/C=C/c1ccco1 ZINC000012763067 523117180 /nfs/dbraw/zinc/11/71/80/523117180.db2.gz GIQRYUFCCRLANK-GNISGLHKSA-N 1 0 386.923 4.359 50 0 GIAARO CC(C)c1ccc(CN2CCC[C@@]3(CC[N@H+](CCc4ccccn4)C3)C2=O)cc1 ZINC000426382617 528093098 /nfs/dbraw/zinc/09/30/98/528093098.db2.gz GYRHYDVQJVYPDH-VWLOTQADSA-N 1 0 391.559 4.262 50 0 GIAARO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000245663158 528646802 /nfs/dbraw/zinc/64/68/02/528646802.db2.gz AJRVBXXJBOZFDQ-GUDVDZBRSA-N 1 0 382.589 4.333 50 0 GIAARO CCCc1cnc(C)nc1N1CCC([NH2+][C@@H](C)c2nc3cc(C)ccc3[nH]2)CC1 ZINC000095388905 535436263 /nfs/dbraw/zinc/43/62/63/535436263.db2.gz AYBWPNXBDSKQEV-INIZCTEOSA-N 1 0 392.551 4.242 50 0 GIAARO COc1ccc(-c2cnc(N3CC[NH+](C)CC3)nc2-c2ccc(C)cc2)c(C)c1 ZINC000065419406 536497353 /nfs/dbraw/zinc/49/73/53/536497353.db2.gz WLDGDBOHZPJQIM-UHFFFAOYSA-N 1 0 388.515 4.188 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N[C@H]1CCOc2ccccc21 ZINC000047866292 570215789 /nfs/dbraw/zinc/21/57/89/570215789.db2.gz HIDHTGAMCPVOCI-FQEVSTJZSA-N 1 0 399.922 4.127 50 0 GIAARO C[NH+](C)C1(CNC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CCCC1 ZINC000048125105 570218874 /nfs/dbraw/zinc/21/88/74/570218874.db2.gz ZEUVWXLTPBYUPE-UHFFFAOYSA-N 1 0 398.482 4.074 50 0 GIAARO COc1cc2[nH+]cc(C(=O)c3ccccc3)c(N3CCCCC3)c2cc1OC ZINC000005083665 570219639 /nfs/dbraw/zinc/21/96/39/570219639.db2.gz WJXFJXVWXMWHSL-UHFFFAOYSA-N 1 0 376.456 4.473 50 0 GIAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(-c3nccs3)cc2)o1 ZINC000048290470 570229000 /nfs/dbraw/zinc/22/90/00/570229000.db2.gz BZGQTTWUNUSBAX-UHFFFAOYSA-N 1 0 384.505 4.307 50 0 GIAARO Cc1noc(C)c1CCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048333534 570237719 /nfs/dbraw/zinc/23/77/19/570237719.db2.gz TZMFKMZIBDQWDY-CALCHBBNSA-N 1 0 383.536 4.018 50 0 GIAARO COc1cc(C[NH2+]Cc2ccc(-c3ccccc3F)s2)ccc1OCCO ZINC000048784399 570254599 /nfs/dbraw/zinc/25/45/99/570254599.db2.gz LDNZCEGAHBXCLG-UHFFFAOYSA-N 1 0 387.476 4.224 50 0 GIAARO CCC(C)(C)c1ccc(OC[C@H](O)CN2CCOCC2)c(C(C)(C)CC)c1 ZINC000019878530 570254665 /nfs/dbraw/zinc/25/46/65/570254665.db2.gz PHORGQHWYHUUKN-LJQANCHMSA-N 1 0 377.569 4.134 50 0 GIAARO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000012864671 570269084 /nfs/dbraw/zinc/26/90/84/570269084.db2.gz GPWRIOZACIOKID-NSHDSACASA-N 1 0 380.275 4.241 50 0 GIAARO Cc1nc(-c2cccc(C(=O)N(C)[C@H](C[NH+](C)C)c3ccccc3)c2)c(C)[nH]1 ZINC000584901445 570270634 /nfs/dbraw/zinc/27/06/34/570270634.db2.gz UYBPTUZETQTEAH-OAQYLSRUSA-N 1 0 376.504 4.068 50 0 GIAARO Clc1ccc2nc(NC3CC[NH+](Cc4ccccc4)CC3)c3nncn3c2c1 ZINC000006752056 570282467 /nfs/dbraw/zinc/28/24/67/570282467.db2.gz UKNLIJBMADLXEW-UHFFFAOYSA-N 1 0 392.894 4.007 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1)[C@@H]1CCCCO1 ZINC000215467009 570289334 /nfs/dbraw/zinc/28/93/34/570289334.db2.gz VIYPTMDJNGILSC-QHCPKHFHSA-N 1 0 378.516 4.003 50 0 GIAARO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682963 570300736 /nfs/dbraw/zinc/30/07/36/570300736.db2.gz JWNDYKLBNUTJPS-UHFFFAOYSA-N 1 0 386.923 4.292 50 0 GIAARO Cc1cccc([C@H]2C[C@H](C(=O)N3CCSCC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733615 570325812 /nfs/dbraw/zinc/32/58/12/570325812.db2.gz BPEQZQSWFLUXPW-GOTSBHOMSA-N 1 0 394.584 4.176 50 0 GIAARO COc1ccccc1CN(Cc1cccs1)Cc1cc(=O)n2ccsc2n1 ZINC000023992818 570341266 /nfs/dbraw/zinc/34/12/66/570341266.db2.gz SGXDLXJVEXPFQZ-UHFFFAOYSA-N 1 0 397.525 4.029 50 0 GIAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[NH+]4CCCCCC4)sc3c2c1 ZINC000004939365 570375587 /nfs/dbraw/zinc/37/55/87/570375587.db2.gz AUKMINRWXGQJRA-UHFFFAOYSA-N 1 0 398.528 4.312 50 0 GIAARO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237513519 570376051 /nfs/dbraw/zinc/37/60/51/570376051.db2.gz PFOFOCJUGBUIIO-SMDDNHRTSA-N 1 0 397.466 4.337 50 0 GIAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)sc3c2c1 ZINC000004939786 570376162 /nfs/dbraw/zinc/37/61/62/570376162.db2.gz VOVXSEIMRWTTCL-HNNXBMFYSA-N 1 0 398.528 4.168 50 0 GIAARO COc1cc(Br)c(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC ZINC000022771668 570376897 /nfs/dbraw/zinc/37/68/97/570376897.db2.gz GGUNGJDKGIHCQT-UHFFFAOYSA-N 1 0 389.293 4.280 50 0 GIAARO Cc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000004981841 570389752 /nfs/dbraw/zinc/38/97/52/570389752.db2.gz QUHCFJATJYSCFX-UHFFFAOYSA-N 1 0 378.545 4.201 50 0 GIAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc2ccccc2oc1=O ZINC000033028463 570399715 /nfs/dbraw/zinc/39/97/15/570399715.db2.gz BGYTWYBHNCQTGB-LJQANCHMSA-N 1 0 396.874 4.013 50 0 GIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)nc1c(c2Cl)CCC1 ZINC000005035004 570403566 /nfs/dbraw/zinc/40/35/66/570403566.db2.gz IYXCWOHEOLETLE-UHFFFAOYSA-N 1 0 385.939 4.373 50 0 GIAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@@H](C)CC)CC3)c(C)o2)cc1 ZINC000005043490 570405246 /nfs/dbraw/zinc/40/52/46/570405246.db2.gz RHFKLSMGPOMZDH-INIZCTEOSA-N 1 0 383.536 4.339 50 0 GIAARO COc1ccccc1N1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000004845584 570411723 /nfs/dbraw/zinc/41/17/23/570411723.db2.gz CBXOHTSDEDXNDG-UHFFFAOYSA-N 1 0 376.500 4.440 50 0 GIAARO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239274622 570428785 /nfs/dbraw/zinc/42/87/85/570428785.db2.gz ALPVPVGQMKFUTN-BEFAXECRSA-N 1 0 391.471 4.395 50 0 GIAARO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+][C@H]4CCOC(C)(C)C4)CC3)nc2c1 ZINC000244796058 570433518 /nfs/dbraw/zinc/43/35/18/570433518.db2.gz RRZOWIFMTAXWLQ-MOPGFXCFSA-N 1 0 382.552 4.153 50 0 GIAARO CCCCCCC(=O)Oc1c(C)cc(OC[C@@H](O)C[NH2+]C(C)C)c(C)c1C ZINC000005502010 570443026 /nfs/dbraw/zinc/44/30/26/570443026.db2.gz ZDQJWEJPIXKCAP-IBGZPJMESA-N 1 0 379.541 4.225 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)s1 ZINC000016507052 570445790 /nfs/dbraw/zinc/44/57/90/570445790.db2.gz CNUNQABFADIUKS-UHFFFAOYSA-N 1 0 393.350 4.427 50 0 GIAARO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000006509035 570461546 /nfs/dbraw/zinc/46/15/46/570461546.db2.gz YVPBQAZGRHXJOJ-CYBMUJFWSA-N 1 0 395.396 4.399 50 0 GIAARO Cc1cc(=O)[nH]c2ccc(-c3ccc(C(=O)N[C@H](C)C[NH+]4CCCC4)cc3)cc12 ZINC000584891008 570474416 /nfs/dbraw/zinc/47/44/16/570474416.db2.gz LXHRLPVKXHBBEW-QGZVFWFLSA-N 1 0 389.499 4.130 50 0 GIAARO CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000006732596 570491213 /nfs/dbraw/zinc/49/12/13/570491213.db2.gz ZULOCXQXAOBPLB-UHFFFAOYSA-N 1 0 386.517 4.337 50 0 GIAARO COc1cccc(C[NH2+]C(C)(C)CO)c1OCc1ccc(Cl)cc1Cl ZINC000006883180 570498220 /nfs/dbraw/zinc/49/82/20/570498220.db2.gz OZHGQHPRHPZZIR-UHFFFAOYSA-N 1 0 384.303 4.442 50 0 GIAARO O=C(NC1CC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000064666593 570514316 /nfs/dbraw/zinc/51/43/16/570514316.db2.gz IVTHEWKBJLSUAA-UHFFFAOYSA-N 1 0 387.527 4.180 50 0 GIAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000006647685 570515996 /nfs/dbraw/zinc/51/59/96/570515996.db2.gz HJHRBXCPWHLCKX-UHFFFAOYSA-N 1 0 396.922 4.144 50 0 GIAARO COc1cc(C[N@H+](C)Cc2cc(=O)oc3c(C)cc(C)cc23)cc(OC)c1OC ZINC000033018772 570518520 /nfs/dbraw/zinc/51/85/20/570518520.db2.gz ZASUGCPUFDZDJK-UHFFFAOYSA-N 1 0 397.471 4.068 50 0 GIAARO Brc1cc2c(cc1C[NH2+]CCCn1ccc3ccccc31)OCO2 ZINC000006650911 570519563 /nfs/dbraw/zinc/51/95/63/570519563.db2.gz NESNPJOGHCVKSD-UHFFFAOYSA-N 1 0 387.277 4.312 50 0 GIAARO Cc1nc(-c2cc3cc(C)ccc3nc2N2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000033318194 570524519 /nfs/dbraw/zinc/52/45/19/570524519.db2.gz VUWKSRSCRXNEMR-UHFFFAOYSA-N 1 0 399.498 4.224 50 0 GIAARO COc1ccccc1CN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036102919 570539493 /nfs/dbraw/zinc/53/94/93/570539493.db2.gz DQKTXCBCCHFKDL-JOCHJYFZSA-N 1 0 395.474 4.276 50 0 GIAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)Cc2cccc(F)c2)cc1 ZINC000036104297 570540969 /nfs/dbraw/zinc/54/09/69/570540969.db2.gz FCYBPZOHEZVBHZ-JOCHJYFZSA-N 1 0 395.474 4.276 50 0 GIAARO CCCCn1c2ccc(F)cc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000006721442 570550014 /nfs/dbraw/zinc/55/00/14/570550014.db2.gz NQOSVJRXHKZXHD-UHFFFAOYSA-N 1 0 387.528 4.497 50 0 aggregator GIAARO CC(C)C(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000006723236 570551922 /nfs/dbraw/zinc/55/19/22/570551922.db2.gz YBBZIFHCKHOYRV-FQEVSTJZSA-N 1 0 397.494 4.070 50 0 GIAARO COc1ccc(-c2nc3c(c(SCC[NH+]4CCCC4)n2)COC(C)(C)C3)cc1 ZINC000005324614 570553908 /nfs/dbraw/zinc/55/39/08/570553908.db2.gz PMINOENIDLXYGN-UHFFFAOYSA-N 1 0 399.560 4.191 50 0 GIAARO COc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907768 570564227 /nfs/dbraw/zinc/56/42/27/570564227.db2.gz DTRSKZOWYCLEGB-HXUWFJFHSA-N 1 0 392.524 4.286 50 0 GIAARO Cc1c2c(nn1-c1ccccc1Cl)c(SCC[NH+]1CCCC1)nnc2C ZINC000036646284 570567577 /nfs/dbraw/zinc/56/75/77/570567577.db2.gz ATWOBPRXKWQMHB-UHFFFAOYSA-N 1 0 387.940 4.274 50 0 GIAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccccc1Cl ZINC000010313996 570568498 /nfs/dbraw/zinc/56/84/98/570568498.db2.gz LIJSOTOYMBFBNM-UHFFFAOYSA-N 1 0 385.895 4.304 50 0 GIAARO C[C@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1Br ZINC000225405925 570570302 /nfs/dbraw/zinc/57/03/02/570570302.db2.gz HCIFQZKYVSRCMR-STQMWFEESA-N 1 0 383.330 4.355 50 0 GIAARO CCc1ccc([C@H](CNC(=O)c2nc(-c3ccccc3)oc2C)[NH+](C)C)cc1 ZINC000032983609 570572491 /nfs/dbraw/zinc/57/24/91/570572491.db2.gz XFZZGZIEFHJSIW-FQEVSTJZSA-N 1 0 377.488 4.245 50 0 GIAARO COc1ccc(C[N@H+](CCOc2ccccc2)[C@@H](CCO)c2ccco2)cc1 ZINC000225424585 570572784 /nfs/dbraw/zinc/57/27/84/570572784.db2.gz UDUZLCNAAHNUHD-QFIPXVFZSA-N 1 0 381.472 4.293 50 0 GIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000011763560 570581626 /nfs/dbraw/zinc/58/16/26/570581626.db2.gz FYFGVQHSDHQMIL-JUGMSXHOSA-N 1 0 383.463 4.451 50 0 GIAARO OCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000040744885 570614170 /nfs/dbraw/zinc/61/41/70/570614170.db2.gz PHVFQUKETHWVRF-UHFFFAOYSA-N 1 0 384.701 4.154 50 0 GIAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(OC)c(C)c3OC)C2)c1 ZINC000011770873 570581964 /nfs/dbraw/zinc/58/19/64/570581964.db2.gz UBKUETDDEWXNGT-SFHVURJKSA-N 1 0 383.488 4.116 50 0 GIAARO COc1ccc(F)c(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000011763839 570582120 /nfs/dbraw/zinc/58/21/20/570582120.db2.gz JEXKWZVWRFGTKD-LJQANCHMSA-N 1 0 388.502 4.360 50 0 GIAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3cccc(C)c3)CC2)cc1 ZINC000011816368 570584315 /nfs/dbraw/zinc/58/43/15/570584315.db2.gz CBPTWMRRWLQULD-UHFFFAOYSA-N 1 0 380.532 4.030 50 0 GIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000028925670 570584462 /nfs/dbraw/zinc/58/44/62/570584462.db2.gz COXRZRYSIMXYFX-LBPRGKRZSA-N 1 0 380.282 4.326 50 0 GIAARO CCc1nc(C)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)o1 ZINC000011841471 570586762 /nfs/dbraw/zinc/58/67/62/570586762.db2.gz BUSQTORDAHQTQO-HXUWFJFHSA-N 1 0 383.536 4.138 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000029192779 570586833 /nfs/dbraw/zinc/58/68/33/570586833.db2.gz UEMDDXHXESYRAW-GOSISDBHSA-N 1 0 393.300 4.401 50 0 GIAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)c1 ZINC000011843594 570587813 /nfs/dbraw/zinc/58/78/13/570587813.db2.gz GFDYKQKLKJMDPA-IBGZPJMESA-N 1 0 378.516 4.349 50 0 GIAARO Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000011956774 570595824 /nfs/dbraw/zinc/59/58/24/570595824.db2.gz JESXHZMGGJXDQI-IBGZPJMESA-N 1 0 385.939 4.070 50 0 GIAARO COc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c(Cl)c1OC ZINC000012002783 570597742 /nfs/dbraw/zinc/59/77/42/570597742.db2.gz SZUSORRFMAYTSU-UHFFFAOYSA-N 1 0 389.923 4.174 50 0 GIAARO CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c(C)n1 ZINC000012000463 570597904 /nfs/dbraw/zinc/59/79/04/570597904.db2.gz XFFXFDKXYRCSTG-HXUWFJFHSA-N 1 0 383.536 4.484 50 0 GIAARO COc1ccc(C(=O)NCc2ccccc2C)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012022093 570598961 /nfs/dbraw/zinc/59/89/61/570598961.db2.gz YRULZJMOYXWLCS-UHFFFAOYSA-N 1 0 396.531 4.185 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072537 570603881 /nfs/dbraw/zinc/60/38/81/570603881.db2.gz BVHJSCFCSPCQCK-LJQANCHMSA-N 1 0 388.502 4.360 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072536 570603989 /nfs/dbraw/zinc/60/39/89/570603989.db2.gz BVHJSCFCSPCQCK-IBGZPJMESA-N 1 0 388.502 4.360 50 0 GIAARO OC[C@]1(CCCc2ccccc2)CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000012073086 570604710 /nfs/dbraw/zinc/60/47/10/570604710.db2.gz SDLDULIYKQVGBC-RUZDIDTESA-N 1 0 389.543 4.470 50 0 GIAARO C[NH2+]CCCNCc1cc(Br)ccc1OCc1ccccc1C ZINC000040720383 570605427 /nfs/dbraw/zinc/60/54/27/570605427.db2.gz LHIZHVGJTXXXEP-UHFFFAOYSA-N 1 0 377.326 4.036 50 0 GIAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720503 570605442 /nfs/dbraw/zinc/60/54/42/570605442.db2.gz RWEITIUWNSGZEM-UHFFFAOYSA-N 1 0 376.928 4.277 50 0 GIAARO CCOc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000040721004 570605972 /nfs/dbraw/zinc/60/59/72/570605972.db2.gz BUVUMHDQOOJRBE-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO CCOc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccc(F)cc1Cl ZINC000040737070 570610325 /nfs/dbraw/zinc/61/03/25/570610325.db2.gz IBKCLWRFHGWPIN-UHFFFAOYSA-N 1 0 381.875 4.317 50 0 GIAARO COc1cc(C[NH2+]CCCO)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040743820 570613111 /nfs/dbraw/zinc/61/31/11/570613111.db2.gz LVDZJZCTRRKSTG-UHFFFAOYSA-N 1 0 388.266 4.192 50 0 GIAARO Cc1cccc(COc2ccc(Br)cc2C[NH2+]CCCCO)c1 ZINC000040744302 570613653 /nfs/dbraw/zinc/61/36/53/570613653.db2.gz BVUICTOSVWHUSZ-UHFFFAOYSA-N 1 0 378.310 4.199 50 0 GIAARO C[NH+](C)Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000225800155 570618457 /nfs/dbraw/zinc/61/84/57/570618457.db2.gz TUPDYHMSACDLKC-NRFANRHFSA-N 1 0 379.891 4.316 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967965 570618886 /nfs/dbraw/zinc/61/88/86/570618886.db2.gz KVSQWWGXAWCFCE-QGZVFWFLSA-N 1 0 377.488 4.023 50 0 GIAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)Nc1cc(F)ccc1F ZINC000006819357 570621488 /nfs/dbraw/zinc/62/14/88/570621488.db2.gz TXAKXXDGKDSCPQ-UHFFFAOYSA-N 1 0 377.410 4.138 50 0 GIAARO Cc1ccc(-n2c(=O)c3ccccc3nc2SCC[NH+]2CCCCC2)cc1 ZINC000004592169 570621755 /nfs/dbraw/zinc/62/17/55/570621755.db2.gz UVGOBQHXHBVKFM-UHFFFAOYSA-N 1 0 379.529 4.272 50 0 GIAARO C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)nnc2-c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000005528186 570625376 /nfs/dbraw/zinc/62/53/76/570625376.db2.gz SIDFCKYUJZRRSD-HUUCEWRRSA-N 1 0 379.895 4.046 50 0 GIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000012208979 570626637 /nfs/dbraw/zinc/62/66/37/570626637.db2.gz UEYHSBBHGJNXCE-KRWDZBQOSA-N 1 0 389.927 4.384 50 0 GIAARO CC(C)[N@@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@H]1CCC(=O)N1 ZINC000012299859 570635394 /nfs/dbraw/zinc/63/53/94/570635394.db2.gz JHARZSYGIQJVDF-JOCHJYFZSA-N 1 0 388.515 4.233 50 0 GIAARO CCc1cccc2c([C@H](CC(=O)NCC[NH+](C)C)c3ccc(C)cc3)c[nH]c21 ZINC000006834559 570637422 /nfs/dbraw/zinc/63/74/22/570637422.db2.gz FWRYJAPCCHVYQS-OAQYLSRUSA-N 1 0 377.532 4.239 50 0 GIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000006843189 570645389 /nfs/dbraw/zinc/64/53/89/570645389.db2.gz HCUXDHFLLAEOKA-OAHLLOKOSA-N 1 0 382.316 4.287 50 0 GIAARO CCOc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)ccc1OC ZINC000012385559 570650418 /nfs/dbraw/zinc/65/04/18/570650418.db2.gz VCLODFQXSQDADF-DEOSSOPVSA-N 1 0 383.532 4.220 50 0 GIAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012386330 570651324 /nfs/dbraw/zinc/65/13/24/570651324.db2.gz AMTBZQFYORMDDI-LJQANCHMSA-N 1 0 387.442 4.443 50 0 GIAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012386496 570651464 /nfs/dbraw/zinc/65/14/64/570651464.db2.gz ZBXYMPOALNVEOK-QHCPKHFHSA-N 1 0 399.535 4.078 50 0 GIAARO C[C@@H](Cc1cccnc1)[NH2+]C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000048196059 570656221 /nfs/dbraw/zinc/65/62/21/570656221.db2.gz RVLHRNQRSDOTPD-KRWDZBQOSA-N 1 0 378.545 4.395 50 0 GIAARO Cn1cc(C[NH2+]CCCn2ccnc2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012447579 570667380 /nfs/dbraw/zinc/66/73/80/570667380.db2.gz KCEFQTQCNXZEPO-UHFFFAOYSA-N 1 0 387.487 4.256 50 0 GIAARO COc1cccc(N2C[C@@H]3C[C@@H](c4cccc5cnccc54)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012477132 570673709 /nfs/dbraw/zinc/67/37/09/570673709.db2.gz ZRXTYFOSNPVJBI-WYRQLCSISA-N 1 0 399.494 4.186 50 0 GIAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000055042403 570680201 /nfs/dbraw/zinc/68/02/01/570680201.db2.gz LOTOJLVEIKZPCB-QGZVFWFLSA-N 1 0 377.513 4.447 50 0 GIAARO Cc1nc(CSCC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)no1 ZINC000036397221 570681397 /nfs/dbraw/zinc/68/13/97/570681397.db2.gz LGISBNZRQGHAFF-UHFFFAOYSA-N 1 0 388.537 4.014 50 0 GIAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@H](C)Cc4cccnc4)CC3)c2)n1 ZINC000055090276 570682579 /nfs/dbraw/zinc/68/25/79/570682579.db2.gz BDDDWFBYIKKWMO-GOSISDBHSA-N 1 0 387.531 4.037 50 0 GIAARO CN(c1ccc(NC(=O)c2ccccc2OCC2CC2)cc1)C1CC[NH+](C)CC1 ZINC000154517574 570685285 /nfs/dbraw/zinc/68/52/85/570685285.db2.gz AWPDEONVIAJASZ-UHFFFAOYSA-N 1 0 393.531 4.258 50 0 GIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000012596504 570689728 /nfs/dbraw/zinc/68/97/28/570689728.db2.gz FASIBYMVMDJPSN-UHFFFAOYSA-N 1 0 386.536 4.011 50 0 GIAARO c1ccc2sc(N3CCC[C@@H]([NH2+]Cc4ccc5nsnc5c4)C3)nc2c1 ZINC000055271801 570689830 /nfs/dbraw/zinc/68/98/30/570689830.db2.gz GQYHHZASJSJYPV-CQSZACIVSA-N 1 0 381.530 4.060 50 0 GIAARO Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055477868 570695583 /nfs/dbraw/zinc/69/55/83/570695583.db2.gz MCPHLTYUTIEMRB-UHFFFAOYSA-N 1 0 399.538 4.247 50 0 GIAARO CC(C)Cc1noc([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)n1 ZINC000055568729 570697445 /nfs/dbraw/zinc/69/74/45/570697445.db2.gz YLYBVLQKCIOHQB-MRXNPFEDSA-N 1 0 383.471 4.177 50 0 GIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012710699 570702229 /nfs/dbraw/zinc/70/22/29/570702229.db2.gz MQGPWKNSPVXRDQ-UHFFFAOYSA-N 1 0 394.515 4.033 50 0 GIAARO CC(C)CCO[C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000057994338 570705863 /nfs/dbraw/zinc/70/58/63/570705863.db2.gz QGJRJYOAIZIGPC-IBGZPJMESA-N 1 0 382.548 4.483 50 0 GIAARO CC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3C)s2)cc1 ZINC000004359686 570706230 /nfs/dbraw/zinc/70/62/30/570706230.db2.gz NWSYQSQEWVDDOM-UHFFFAOYSA-N 1 0 395.528 4.406 50 0 GIAARO C[NH+](C)CCCN(C(=O)c1ccccc1F)c1nc2ccc(F)cc2s1 ZINC000004359613 570706301 /nfs/dbraw/zinc/70/63/01/570706301.db2.gz QIPMIFYAFZEYIR-UHFFFAOYSA-N 1 0 375.444 4.173 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)/C=C/c1ccco1 ZINC000012751608 570709698 /nfs/dbraw/zinc/70/96/98/570709698.db2.gz TWHUQUYBDXPFMO-ZHACJKMWSA-N 1 0 380.532 4.404 50 0 GIAARO COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(OC)cc1OC)=[N+]2C ZINC000004362323 570710311 /nfs/dbraw/zinc/71/03/11/570710311.db2.gz BAVUAVFZEGZVNC-FMIVXFBMSA-N 1 0 380.464 4.210 50 0 GIAARO CC(C)c1nc(C(=O)N(CCc2ccccc2)CC2CC[NH+](C)CC2)cs1 ZINC000012760924 570710575 /nfs/dbraw/zinc/71/05/75/570710575.db2.gz TVWIUEPWYMCCQX-UHFFFAOYSA-N 1 0 385.577 4.293 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000058200904 570719063 /nfs/dbraw/zinc/71/90/63/570719063.db2.gz OPJVWKAAIYQPRT-LJQANCHMSA-N 1 0 397.496 4.221 50 0 GIAARO CSC[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 ZINC000012836435 570723495 /nfs/dbraw/zinc/72/34/95/570723495.db2.gz VAIBFZIGSMBNIP-MRXNPFEDSA-N 1 0 387.553 4.224 50 0 GIAARO COc1ccc(C(C)=O)cc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000058314008 570726741 /nfs/dbraw/zinc/72/67/41/570726741.db2.gz SJKDNUJLERLKNY-UHFFFAOYSA-N 1 0 380.532 4.242 50 0 GIAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000058412929 570732189 /nfs/dbraw/zinc/73/21/89/570732189.db2.gz GZXKEFDHHZSARO-LJQANCHMSA-N 1 0 391.943 4.117 50 0 GIAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000058445842 570733941 /nfs/dbraw/zinc/73/39/41/570733941.db2.gz LRRQTUSQZIUAFZ-QZTJIDSGSA-N 1 0 379.287 4.442 50 0 GIAARO O=C(COc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012975161 570734431 /nfs/dbraw/zinc/73/44/31/570734431.db2.gz LGEWLFKICVZGBH-KRWDZBQOSA-N 1 0 396.409 4.021 50 0 GIAARO COc1ccc(-c2nc(N3CC[NH+](C)CC3)sc2-c2ccc(OC)cc2)cc1 ZINC000007003805 570735321 /nfs/dbraw/zinc/73/53/21/570735321.db2.gz ZIBPFPDJVNOBOW-UHFFFAOYSA-N 1 0 395.528 4.246 50 0 GIAARO Cc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)s1 ZINC000059322892 570737906 /nfs/dbraw/zinc/73/79/06/570737906.db2.gz LTCIPIWWPFSTIZ-UHFFFAOYSA-N 1 0 398.557 4.426 50 0 GIAARO Cc1ccc(C[N@H+]2CCCN(c3ncccc3-c3nc(C(C)C)no3)CC2)cc1 ZINC000065257912 570758938 /nfs/dbraw/zinc/75/89/38/570758938.db2.gz GNFLNQKDQZPWDM-UHFFFAOYSA-N 1 0 391.519 4.276 50 0 GIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(C)o3)C2)c1 ZINC000013595965 570761382 /nfs/dbraw/zinc/76/13/82/570761382.db2.gz TWTXHJRWPVVZDC-LJQANCHMSA-N 1 0 382.504 4.099 50 0 GIAARO CCSc1ncc(-c2c(-c3ccccc3)ncn2C[C@H]2CC[N@H+](C)C2)cn1 ZINC000065370847 570761435 /nfs/dbraw/zinc/76/14/35/570761435.db2.gz RMESBAULQLIRMF-INIZCTEOSA-N 1 0 379.533 4.071 50 0 GIAARO OC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000013637061 570765098 /nfs/dbraw/zinc/76/50/98/570765098.db2.gz USLRKELXJYFECS-UHFFFAOYSA-N 1 0 387.483 4.301 50 0 GIAARO CCC[NH+]1CCC(CC(=O)N2CCC(Oc3cccc(Cl)c3)CC2)CC1 ZINC000065396109 570765666 /nfs/dbraw/zinc/76/56/66/570765666.db2.gz ZOBXFCPWAOLDET-UHFFFAOYSA-N 1 0 378.944 4.222 50 0 GIAARO COCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008469120 570770493 /nfs/dbraw/zinc/77/04/93/570770493.db2.gz APQGXPOACMBIGH-UHFFFAOYSA-N 1 0 384.701 4.418 50 0 GIAARO Brc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccccc1 ZINC000010474475 570790938 /nfs/dbraw/zinc/79/09/38/570790938.db2.gz MUXMEDOBLKEMOI-KRWDZBQOSA-N 1 0 376.294 4.297 50 0 GIAARO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)C1=O ZINC000007142913 570806745 /nfs/dbraw/zinc/80/67/45/570806745.db2.gz YQKVBGLHINWPPG-UTSGNWPNSA-N 1 0 391.515 4.219 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000007268401 570822271 /nfs/dbraw/zinc/82/22/71/570822271.db2.gz URTBQPAVAJCHMT-UHFFFAOYSA-N 1 0 391.437 4.029 50 0 GIAARO COc1cc(Br)c(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC ZINC000004685535 570830189 /nfs/dbraw/zinc/83/01/89/570830189.db2.gz WHGMKLNEBXVJDE-UHFFFAOYSA-N 1 0 380.326 4.381 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(C2SCCS2)cc1 ZINC000005704764 570836138 /nfs/dbraw/zinc/83/61/38/570836138.db2.gz BNQPYIDKNVYMJA-KRWDZBQOSA-N 1 0 388.558 4.325 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2c(nc3sccn23)s1 ZINC000012540961 570841241 /nfs/dbraw/zinc/84/12/41/570841241.db2.gz GGSFWWWLGVNPSO-UHFFFAOYSA-N 1 0 396.541 4.136 50 0 GIAARO O=C(C1CC1)N1CCC([N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)CC1 ZINC000071747401 570845688 /nfs/dbraw/zinc/84/56/88/570845688.db2.gz LDILABSNMMWUEG-INIZCTEOSA-N 1 0 376.491 4.010 50 0 GIAARO Cc1cc(C[NH+]2CCC(CNC(=O)CSc3ccc(F)cc3)CC2)c(C)o1 ZINC000043972673 570847399 /nfs/dbraw/zinc/84/73/99/570847399.db2.gz XTHIADYRKFUCJI-UHFFFAOYSA-N 1 0 390.524 4.156 50 0 GIAARO O=C(c1cccnc1)N1CCC([N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071763215 570850163 /nfs/dbraw/zinc/85/01/63/570850163.db2.gz CAPUEPRLVBDVAM-FQEVSTJZSA-N 1 0 395.522 4.170 50 0 GIAARO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000170602734 570861331 /nfs/dbraw/zinc/86/13/31/570861331.db2.gz MDEXAJGMOQFKAI-ZJOBEGKPSA-N 1 0 397.607 4.025 50 0 GIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)cc2)N3)C1 ZINC000004555594 570882419 /nfs/dbraw/zinc/88/24/19/570882419.db2.gz ITKJKOWYUPKITN-OAHLLOKOSA-N 1 0 392.322 4.318 50 0 GIAARO C[C@@H](OC[C@@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1 ZINC000032895620 570887177 /nfs/dbraw/zinc/88/71/77/570887177.db2.gz NWZKWPVUZHVZCA-ZHRRBRCNSA-N 1 0 389.923 4.364 50 0 GIAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCC34CC5CC(CC(C5)C3)C4)C2=O)c(C)c1 ZINC000004573564 570898294 /nfs/dbraw/zinc/89/82/94/570898294.db2.gz WXCIDYXAKIODNC-LOXVZWDBSA-N 1 0 380.532 4.131 50 0 GIAARO COCC[C@H]1CCCCN1C(=O)c1cccc(-c2cccc3c(N)cc[nH+]c32)c1 ZINC000534576741 570901204 /nfs/dbraw/zinc/90/12/04/570901204.db2.gz FQCNDXCHPWOBRD-LJQANCHMSA-N 1 0 389.499 4.346 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000014323105 570904611 /nfs/dbraw/zinc/90/46/11/570904611.db2.gz XTULLBVBQKLIHZ-UHFFFAOYSA-N 1 0 395.890 4.389 50 0 GIAARO Cc1ccsc1[C@@H](CNC(=O)N(C)Cc1csc(C(C)C)n1)[NH+](C)C ZINC000534643491 570909255 /nfs/dbraw/zinc/90/92/55/570909255.db2.gz CNRYTALGFVTDLA-OAHLLOKOSA-N 1 0 380.583 4.081 50 0 GIAARO C[NH+](C)CCCN(C(=O)Cc1ccc(F)cc1)c1nc2ccc(F)cc2s1 ZINC000007573400 570912585 /nfs/dbraw/zinc/91/25/85/570912585.db2.gz OCSORYHQWBZPQD-UHFFFAOYSA-N 1 0 389.471 4.102 50 0 GIAARO CN(Cc1nnc(-c2ccccc2)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000032911839 570914977 /nfs/dbraw/zinc/91/49/77/570914977.db2.gz JFFREGRYHRWTIA-WMZOPIPTSA-N 1 0 390.270 4.134 50 0 GIAARO Cc1ccc(C(=O)NCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022942826 570932974 /nfs/dbraw/zinc/93/29/74/570932974.db2.gz DDPKFQHGIMSBCV-UHFFFAOYSA-N 1 0 399.538 4.090 50 0 GIAARO C[C@@H]1CCC[N@H+](Cc2ccc(Nc3ccc4nnc(C(F)(F)F)n4n3)cc2)C1 ZINC000032932634 570945699 /nfs/dbraw/zinc/94/56/99/570945699.db2.gz RHTTWUAQGZPRAQ-CYBMUJFWSA-N 1 0 390.413 4.119 50 0 GIAARO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012977912 570948051 /nfs/dbraw/zinc/94/80/51/570948051.db2.gz BOELZLLRPCWHHR-HZPDHXFCSA-N 1 0 385.895 4.018 50 0 GIAARO COc1ccc([C@H](CNC(=S)Nc2cc(C)ccc2C)[NH+]2CCCC2)cc1 ZINC000007583783 570949081 /nfs/dbraw/zinc/94/90/81/570949081.db2.gz RLKDTMRHWCGBFH-NRFANRHFSA-N 1 0 383.561 4.436 50 0 GIAARO C[C@H]1CCC[N@H+](Cc2cn3c(nnc3-c3cccc(Br)c3)s2)C1 ZINC000004107095 570951346 /nfs/dbraw/zinc/95/13/46/570951346.db2.gz YQESBIHHLCIMEP-LBPRGKRZSA-N 1 0 391.338 4.452 50 0 GIAARO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000047550314 570963860 /nfs/dbraw/zinc/96/38/60/570963860.db2.gz CHFDYWJYMDQMEY-UHFFFAOYSA-N 1 0 385.483 4.399 50 0 GIAARO CSc1cccc2sc(N(CC[NH+](C)C)C(=O)C3CCCCC3)nc21 ZINC000007599586 570964696 /nfs/dbraw/zinc/96/46/96/570964696.db2.gz HOERKOQXLQQCQA-UHFFFAOYSA-N 1 0 377.579 4.493 50 0 GIAARO CCN(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cn1 ZINC000252508057 570978720 /nfs/dbraw/zinc/97/87/20/570978720.db2.gz XBOFLOXIKPBNQQ-UHFFFAOYSA-N 1 0 392.478 4.219 50 0 GIAARO CC[NH+](CC)Cc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC000252508493 570979104 /nfs/dbraw/zinc/97/91/04/570979104.db2.gz XOEQNVRBDFOZMG-QFIPXVFZSA-N 1 0 381.520 4.043 50 0 GIAARO Cc1cccc(-c2nc(CN3CCC(C(=O)Nc4ccccc4C)CC3)no2)c1 ZINC000033327677 570983937 /nfs/dbraw/zinc/98/39/37/570983937.db2.gz DSOYKHUSDPATNU-UHFFFAOYSA-N 1 0 390.487 4.204 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)cc1F)c1cccc(OC)c1 ZINC000012749502 570997923 /nfs/dbraw/zinc/99/79/23/570997923.db2.gz KSTPGNVXQRSCEH-LJQANCHMSA-N 1 0 378.875 4.301 50 0 GIAARO CCCCc1nn2c(nc(C[N@H+](CC)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000046032246 571013466 /nfs/dbraw/zinc/01/34/66/571013466.db2.gz OCYRAVFZAOVMLY-UHFFFAOYSA-N 1 0 390.940 4.169 50 0 GIAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000046032250 571013632 /nfs/dbraw/zinc/01/36/32/571013632.db2.gz UGXZAWNKNFVTAN-UHFFFAOYSA-N 1 0 390.940 4.340 50 0 GIAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000012765977 571016010 /nfs/dbraw/zinc/01/60/10/571016010.db2.gz LSXLLVPWEOBFKM-UHFFFAOYSA-N 1 0 378.419 4.261 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000007686967 571016293 /nfs/dbraw/zinc/01/62/93/571016293.db2.gz GAHAKULLMXLRNU-OAHLLOKOSA-N 1 0 379.323 4.078 50 0 GIAARO O[C@@H](C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000084522226 571020524 /nfs/dbraw/zinc/02/05/24/571020524.db2.gz FICNGSBHBDMXFG-VQTJNVASSA-N 1 0 379.422 4.184 50 0 GIAARO CCC(C)(C)[NH2+]CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000012785150 571038067 /nfs/dbraw/zinc/03/80/67/571038067.db2.gz ADEPIYQWSRSZHZ-UHFFFAOYSA-N 1 0 392.135 4.237 50 0 GIAARO CCOc1ccc(CC(=O)N(C)C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000084807983 571039741 /nfs/dbraw/zinc/03/97/41/571039741.db2.gz QNGLCXDMTWIEGO-WOJBJXKFSA-N 1 0 394.559 4.243 50 0 GIAARO CC1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000176088134 823116538 /nfs/dbraw/zinc/11/65/38/823116538.db2.gz VYJKPCYREQUJGH-IBGZPJMESA-N 1 0 397.563 4.152 50 0 GIAARO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(SC)cc2)c(OC)c1 ZINC000002624416 817393174 /nfs/dbraw/zinc/39/31/74/817393174.db2.gz BZDGCTZQNFLBHE-UEKDZROGSA-N 1 0 387.545 4.322 50 0 GIAARO COCCN(C(=S)Nc1cccc(Cl)c1C)C1CC[NH+](C(C)C)CC1 ZINC000002933434 817406713 /nfs/dbraw/zinc/40/67/13/817406713.db2.gz FRURLYLHUATYFO-UHFFFAOYSA-N 1 0 383.989 4.166 50 0 GIAARO COc1ccccc1CC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000004028474 817497328 /nfs/dbraw/zinc/49/73/28/817497328.db2.gz OIPXGHPONYZIRJ-YIDHPNLISA-N 1 0 383.532 4.142 50 0 GIAARO CCCC[N@H+](CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1 ZINC000004099634 817503440 /nfs/dbraw/zinc/50/34/40/817503440.db2.gz HALNSYITXIPKLZ-UHFFFAOYSA-N 1 0 389.496 4.241 50 0 GIAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000005587087 817598770 /nfs/dbraw/zinc/59/87/70/817598770.db2.gz OHWNYQSDSYNAEV-INIZCTEOSA-N 1 0 378.438 4.467 50 0 GIAARO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000057435581 823296884 /nfs/dbraw/zinc/29/68/84/823296884.db2.gz HCJAWUHXGKCRCD-INIZCTEOSA-N 1 0 376.456 4.306 50 0 GIAARO CN(C)c1ncc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)s1 ZINC000011878641 818127131 /nfs/dbraw/zinc/12/71/31/818127131.db2.gz HKBJDQAGFYDKLZ-SFHVURJKSA-N 1 0 399.539 4.337 50 0 GIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccncc2)N1CC1(c2ccccc2)CCCC1 ZINC000011911162 818128351 /nfs/dbraw/zinc/12/83/51/818128351.db2.gz JMZQVPYKLXVQHU-QFIPXVFZSA-N 1 0 377.532 4.064 50 0 GIAARO Cc1cc(C)cc(NC(=O)[C@@H]2CC23CC[NH+](Cc2ccc4c(c2)OCO4)CC3)c1 ZINC000011965452 818132874 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COc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2C[NH+](C)C)cc1 ZINC000012282953 818153157 /nfs/dbraw/zinc/15/31/57/818153157.db2.gz HCZRRCYDJUONKK-UHFFFAOYSA-N 1 0 390.483 4.441 50 0 GIAARO COc1cccc(CC[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000012302438 818153695 /nfs/dbraw/zinc/15/36/95/818153695.db2.gz CVUWZTGEVUPHTG-QFIPXVFZSA-N 1 0 393.575 4.399 50 0 GIAARO Cn1cc(C[NH+]2CCC([C@H](O)c3cccnc3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012308674 818154256 /nfs/dbraw/zinc/15/42/56/818154256.db2.gz UOXKDHCGUZKZOT-QFIPXVFZSA-N 1 0 396.922 4.081 50 0 GIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@H]2CCOC2)C2CCCC2)CC1 ZINC000012455164 818160979 /nfs/dbraw/zinc/16/09/79/818160979.db2.gz VKZLOQAAUSVVTG-QHCPKHFHSA-N 1 0 398.591 4.057 50 0 GIAARO CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012752072 818180735 /nfs/dbraw/zinc/18/07/35/818180735.db2.gz GJKKVNBXLBVJHU-NRFANRHFSA-N 1 0 375.516 4.337 50 0 GIAARO COC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000014980640 818279959 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GIAARO COc1ccc([C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C2CC2)cc1 ZINC000177321038 823432313 /nfs/dbraw/zinc/43/23/13/823432313.db2.gz KBFPQBOSURXZSK-QFIPXVFZSA-N 1 0 385.552 4.243 50 0 GIAARO COc1cc(C[C@@H](C)[NH2+][C@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)ccc1O ZINC000036269429 821070378 /nfs/dbraw/zinc/07/03/78/821070378.db2.gz DFJOKNIZMAGTLK-YJYMSZOUSA-N 1 0 395.459 4.389 50 0 GIAARO COc1cccc([C@H](CNc2nc(-c3ccncc3)nc3ccccc32)[NH+](C)C)c1 ZINC000040040260 821127137 /nfs/dbraw/zinc/12/71/37/821127137.db2.gz TTWUNQZSUZNDHV-QFIPXVFZSA-N 1 0 399.498 4.415 50 0 GIAARO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000040050458 821127936 /nfs/dbraw/zinc/12/79/36/821127936.db2.gz STWPZUOBLOGZBR-RBUKOAKNSA-N 1 0 380.532 4.303 50 0 GIAARO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000040112311 821140276 /nfs/dbraw/zinc/14/02/76/821140276.db2.gz VYIXWNNSBFDOEJ-MRXNPFEDSA-N 1 0 393.531 4.004 50 0 GIAARO COc1cccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1OC ZINC000040121397 821143153 /nfs/dbraw/zinc/14/31/53/821143153.db2.gz ZFXIYRVOKXWVAI-QZTJIDSGSA-N 1 0 396.531 4.112 50 0 GIAARO NC(=O)c1cccc(C[N@H+](CCOc2ccccc2F)Cc2ccccc2)c1 ZINC000040149550 821149532 /nfs/dbraw/zinc/14/95/32/821149532.db2.gz IHHKHDBDZMNWJA-UHFFFAOYSA-N 1 0 378.447 4.006 50 0 GIAARO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000183723519 822517101 /nfs/dbraw/zinc/51/71/01/822517101.db2.gz ZSERTHXMBGHRKX-UHFFFAOYSA-N 1 0 395.551 4.301 50 0 GIAARO CC(=O)Nc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cc1 ZINC000055053644 822935262 /nfs/dbraw/zinc/93/52/62/822935262.db2.gz YGPXMTOMLLOODW-RUZDIDTESA-N 1 0 391.559 4.442 50 0 GIAARO CC(=O)Nc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cc1 ZINC000055226575 822946891 /nfs/dbraw/zinc/94/68/91/822946891.db2.gz HIXGEQYBXFJUQN-VWLOTQADSA-N 1 0 391.559 4.176 50 0 GIAARO Cc1cccc(-c2ncc(C[NH2+]CCCc3nc4cc(F)ccc4[nH]3)cn2)c1 ZINC000055401084 822957831 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COc1ccc(CCC(=O)N2CCC[C@H](n3c(C)c[nH+]c3C3CCC3)C2)cc1 ZINC000575547465 823975830 /nfs/dbraw/zinc/97/58/30/823975830.db2.gz CWTYKXYWCKEEHJ-FQEVSTJZSA-N 1 0 381.520 4.264 50 0 GIAARO Cc1cnc(C2CCOCC2)n1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575547738 823976258 /nfs/dbraw/zinc/97/62/58/823976258.db2.gz UERZRGDMWINYHY-QGZVFWFLSA-N 1 0 389.490 4.276 50 0 GIAARO CC(C)(C)c1ccc(OCC(=O)N2CCC(CC[NH+]3CCCCC3)CC2)cc1 ZINC000334161954 206255245 /nfs/dbraw/zinc/25/52/45/206255245.db2.gz HVHHOOJBXOQBSH-UHFFFAOYSA-N 1 0 386.580 4.478 50 0 GIAARO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C\c1ccncc1 ZINC000096310876 206300633 /nfs/dbraw/zinc/30/06/33/206300633.db2.gz UHPYRQGTFQBPPR-ALCCZGGFSA-N 1 0 392.330 4.382 50 0 GIAARO COc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1OC ZINC000000854870 206327718 /nfs/dbraw/zinc/32/77/18/206327718.db2.gz URKRBJWMBXUSAW-UHFFFAOYSA-N 1 0 394.519 4.152 50 0 GIAARO COc1cccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000034697779 206304947 /nfs/dbraw/zinc/30/49/47/206304947.db2.gz SNTHEBVKMDAMMN-LADGPHEKSA-N 1 0 392.543 4.345 50 0 GIAARO COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)OC ZINC000001447527 206382042 /nfs/dbraw/zinc/38/20/42/206382042.db2.gz RDZZRJGNPQVZDZ-UHFFFAOYSA-N 1 0 392.434 4.257 50 0 GIAARO COc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1OC ZINC000001191887 206365302 /nfs/dbraw/zinc/36/53/02/206365302.db2.gz CLHKPTMJCFADDG-UHFFFAOYSA-N 1 0 391.491 4.069 50 0 GIAARO CCCc1nc2sc3c(ncnc3NCCC[NH+](C)C)c2c2c1CCCC2 ZINC000002301234 206408901 /nfs/dbraw/zinc/40/89/01/206408901.db2.gz JBLQQYDSGBEDDZ-UHFFFAOYSA-N 1 0 383.565 4.434 50 0 GIAARO CCSc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000002411115 206415407 /nfs/dbraw/zinc/41/54/07/206415407.db2.gz WXOSZOVXNWNEKO-UHFFFAOYSA-N 1 0 380.583 4.018 50 0 GIAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(N(C)C)cc3)sc2c1 ZINC000004272543 206510768 /nfs/dbraw/zinc/51/07/68/206510768.db2.gz HLEQKXBTAWZBOO-UHFFFAOYSA-N 1 0 396.560 4.269 50 0 GIAARO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000006086185 206638952 /nfs/dbraw/zinc/63/89/52/206638952.db2.gz NVZJPKLYJAGKIJ-GFCCVEGCSA-N 1 0 379.287 4.355 50 0 GIAARO Cc1nc2cc(NC(=O)[C@H]3CC34CC[NH+]([C@@H]3CCSC3)CC4)ccc2s1 ZINC000012185368 206866404 /nfs/dbraw/zinc/86/64/04/206866404.db2.gz ZLTZSMWJCLHORV-HZPDHXFCSA-N 1 0 387.574 4.151 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccc(COC)o1 ZINC000012303790 206881705 /nfs/dbraw/zinc/88/17/05/206881705.db2.gz GQCPIQLAVSPADE-UHFFFAOYSA-N 1 0 398.547 4.151 50 0 GIAARO CCOC(=O)N1CCC([NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)CC1 ZINC000012387363 206891686 /nfs/dbraw/zinc/89/16/86/206891686.db2.gz NOTFXMDXNMXPST-FQEVSTJZSA-N 1 0 396.535 4.096 50 0 GIAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](C4CCOCC4)C3)cc2)c1 ZINC000012464397 206902040 /nfs/dbraw/zinc/90/20/40/206902040.db2.gz SDPLRSZNZURNKE-FQEVSTJZSA-N 1 0 394.515 4.192 50 0 GIAARO Fc1ccccc1-n1ncc2c1CCC[C@H]2[NH2+]Cc1cnc(N2CCCC2)s1 ZINC000012585625 206915817 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Cc1ccsc1C[NH+]1CCC(c2nnc(SCc3ccncc3)n2C)CC1 ZINC000015069349 207044289 /nfs/dbraw/zinc/04/42/89/207044289.db2.gz HJJMADPBPYCHEZ-UHFFFAOYSA-N 1 0 399.589 4.252 50 0 GIAARO Cc1cccc(-n2ncc(C(=O)Nc3ccc(F)cc3F)c2C2CC[NH2+]CC2)c1 ZINC000015726891 207057255 /nfs/dbraw/zinc/05/72/55/207057255.db2.gz CERVUHJRVAUOSH-UHFFFAOYSA-N 1 0 396.441 4.178 50 0 GIAARO Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000016102254 207073052 /nfs/dbraw/zinc/07/30/52/207073052.db2.gz FMVPROHNNLUOGX-UHFFFAOYSA-N 1 0 392.528 4.039 50 0 GIAARO Cc1ccc2c(CC(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)coc2c1 ZINC000016002703 207070337 /nfs/dbraw/zinc/07/03/37/207070337.db2.gz YNQSZABLXVAXHN-UHFFFAOYSA-N 1 0 397.906 4.328 50 0 GIAARO O=C(NCCC[NH+]1CCCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000017812397 207091360 /nfs/dbraw/zinc/09/13/60/207091360.db2.gz QFGDNJQHLHVUAY-UHFFFAOYSA-N 1 0 388.515 4.145 50 0 GIAARO COc1cc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc(OC)c1 ZINC000019360248 207118824 /nfs/dbraw/zinc/11/88/24/207118824.db2.gz QRYYTWQEFWPJAR-UHFFFAOYSA-N 1 0 376.500 4.175 50 0 GIAARO COc1ccccc1-c1nc2c3c4c(sc3ncn2n1)C(C)(C)[NH2+]C(C)(C)C4 ZINC000019461722 207123298 /nfs/dbraw/zinc/12/32/98/207123298.db2.gz GKVSDMTYFVVNIU-UHFFFAOYSA-N 1 0 393.516 4.174 50 0 GIAARO CC1(C)Cc2c3c(ncn4nc(-c5ccc(F)cc5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019681684 207148996 /nfs/dbraw/zinc/14/89/96/207148996.db2.gz CQZAVXQAWRKGEX-UHFFFAOYSA-N 1 0 381.480 4.305 50 0 GIAARO Fc1ccc(N2CCN([C@@H]3CCC[N@H+](C/C=C/c4ccccc4)C3)CC2)cc1 ZINC000019639609 207143829 /nfs/dbraw/zinc/14/38/29/207143829.db2.gz SAYGQUOQNOHPAG-CZDPRXMLSA-N 1 0 379.523 4.126 50 0 GIAARO Cc1cc(-n2cccn2)ccc1C[NH2+][C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000019744031 207157634 /nfs/dbraw/zinc/15/76/34/207157634.db2.gz INDBDFKUTKBRIB-OAQYLSRUSA-N 1 0 378.495 4.074 50 0 GIAARO Fc1ccc(N2CCN([C@H]3CCC[N@H+](CCCc4ccccc4)C3)CC2)cc1 ZINC000019836009 207164062 /nfs/dbraw/zinc/16/40/62/207164062.db2.gz YIRVPHWXQIYZAT-DEOSSOPVSA-N 1 0 381.539 4.045 50 0 GIAARO Clc1cccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000019831717 207164377 /nfs/dbraw/zinc/16/43/77/207164377.db2.gz WQKORBCRRHOCDB-UHFFFAOYSA-N 1 0 383.967 4.122 50 0 GIAARO CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C)n(-c3cccnc3)c2C)s1 ZINC000020203484 207181644 /nfs/dbraw/zinc/18/16/44/207181644.db2.gz WRNXTSBSTFUCDK-IBGZPJMESA-N 1 0 394.544 4.247 50 0 GIAARO c1csc(Cc2n[nH]c3c2C[N@@H+](C2CCN(c4ccccc4)CC2)CC3)c1 ZINC000020202474 207182250 /nfs/dbraw/zinc/18/22/50/207182250.db2.gz DNUQYCGDZYKFFB-UHFFFAOYSA-N 1 0 378.545 4.089 50 0 GIAARO COCc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)[C@@H]3CCCc4ccccc43)c2)n1 ZINC000020235948 207183749 /nfs/dbraw/zinc/18/37/49/207183749.db2.gz WHLMLCCYCDJMDH-JOCHJYFZSA-N 1 0 389.499 4.093 50 0 GIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020485016 207197663 /nfs/dbraw/zinc/19/76/63/207197663.db2.gz LZZOBNPCXLBZMY-INIZCTEOSA-N 1 0 398.576 4.077 50 0 GIAARO O[C@H](CSc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020387495 207190407 /nfs/dbraw/zinc/19/04/07/207190407.db2.gz BHTNAJHZNPSVAI-INIZCTEOSA-N 1 0 397.371 4.269 50 0 GIAARO Cc1ccc([C@](O)(c2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440663 207192550 /nfs/dbraw/zinc/19/25/50/207192550.db2.gz BBUXSGAOMXEODN-IZZNHLLZSA-N 1 0 387.523 4.347 50 0 GIAARO OCC[C@@H]1C[N@H+](Cc2cccc(-c3ccco3)c2)CCN1Cc1ccsc1 ZINC000020534767 207201156 /nfs/dbraw/zinc/20/11/56/207201156.db2.gz RWTUMMZKIFWLHV-OAQYLSRUSA-N 1 0 382.529 4.077 50 0 GIAARO Fc1cccc(-c2cccc(N3CCC([NH2+]CCc4cnccn4)CC3)c2)c1 ZINC000020785133 207215288 /nfs/dbraw/zinc/21/52/88/207215288.db2.gz JLLFJBMUWOPAEJ-UHFFFAOYSA-N 1 0 376.479 4.084 50 0 GIAARO COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1cccc(OC)c1OC)=[N+]2C ZINC000020807436 207215292 /nfs/dbraw/zinc/21/52/92/207215292.db2.gz MIZVZSLJKXQATH-ACCUITESSA-N 1 0 380.464 4.210 50 0 GIAARO Clc1cccc(-c2n[nH]c3c2C[N@@H+]([C@@H]2CCN(c4ccccc4)C2)CC3)c1 ZINC000020855202 207216076 /nfs/dbraw/zinc/21/60/76/207216076.db2.gz IYLUEXCMQOKFFV-LJQANCHMSA-N 1 0 378.907 4.367 50 0 GIAARO CCCOc1c(Br)cc(C[NH2+]Cc2ccncc2)cc1OCC ZINC000020932597 207221409 /nfs/dbraw/zinc/22/14/09/207221409.db2.gz YULJHBRYOPWCKA-UHFFFAOYSA-N 1 0 379.298 4.321 50 0 GIAARO CCc1cc2c(ncnc2NCCCN2CC[NH+](C3CCCCC3)CC2)s1 ZINC000021651712 207234107 /nfs/dbraw/zinc/23/41/07/207234107.db2.gz HELFCPOJKZKGBX-UHFFFAOYSA-N 1 0 387.597 4.006 50 0 GIAARO CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2CC)c2ccccc21 ZINC000021720763 207236644 /nfs/dbraw/zinc/23/66/44/207236644.db2.gz AGNKBNZUQNVTLC-HXUWFJFHSA-N 1 0 395.503 4.400 50 0 GIAARO CC[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021797906 207238538 /nfs/dbraw/zinc/23/85/38/207238538.db2.gz KDEVQWYNGHZJSL-UHFFFAOYSA-N 1 0 383.499 4.229 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccccc1 ZINC000021805531 207238633 /nfs/dbraw/zinc/23/86/33/207238633.db2.gz VCHMNHKKRZBXFO-JOCHJYFZSA-N 1 0 389.499 4.253 50 0 GIAARO c1nc2ccccc2n1-c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000021841285 207239705 /nfs/dbraw/zinc/23/97/05/207239705.db2.gz ZNRVTZXTKBGQQV-JOCHJYFZSA-N 1 0 382.511 4.390 50 0 GIAARO CN(C)[C@@H](C[NH2+]CC(=O)N1c2ccccc2Sc2ccccc21)c1ccco1 ZINC000022039551 207247451 /nfs/dbraw/zinc/24/74/51/207247451.db2.gz MQWWIEMTPUNDMJ-SFHVURJKSA-N 1 0 393.512 4.301 50 0 GIAARO Cc1sc2nc([C@H](C)N3CC[NH+](Cc4ccccc4C)CC3)nc(N)c2c1C ZINC000022809158 207263657 /nfs/dbraw/zinc/26/36/57/207263657.db2.gz CYNXKBWHLCBSAR-INIZCTEOSA-N 1 0 395.576 4.078 50 0 GIAARO O=C(CCCc1c[nH]c2ccccc12)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022610896 207258261 /nfs/dbraw/zinc/25/82/61/207258261.db2.gz SZHBPHBODITBIX-UHFFFAOYSA-N 1 0 375.516 4.225 50 0 GIAARO Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC000022683195 207259862 /nfs/dbraw/zinc/25/98/62/207259862.db2.gz VBKXNKBFXXWBKK-SFHVURJKSA-N 1 0 383.492 4.290 50 0 GIAARO CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 ZINC000022777220 207260655 /nfs/dbraw/zinc/26/06/55/207260655.db2.gz DKKDLBZUAWQACB-SFHVURJKSA-N 1 0 392.547 4.169 50 0 GIAARO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000022793291 207261142 /nfs/dbraw/zinc/26/11/42/207261142.db2.gz GUNZLIHKKYTFCQ-ACJLOTCBSA-N 1 0 380.319 4.213 50 0 GIAARO Cn1cc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000023358951 207274615 /nfs/dbraw/zinc/27/46/15/207274615.db2.gz JCCUHWNEAQBIAH-JOCHJYFZSA-N 1 0 392.522 4.323 50 0 GIAARO C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)[C@@H](O)c1ccc(O)cc1 ZINC000023935772 207284703 /nfs/dbraw/zinc/28/47/03/207284703.db2.gz QTHMKDAEOJUAAD-ZUOKHONESA-N 1 0 380.469 4.474 50 0 GIAARO O=C1c2ccccc2C(=O)N1CCCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000024540606 207292111 /nfs/dbraw/zinc/29/21/11/207292111.db2.gz LSKQHZSJKVBNHJ-UHFFFAOYSA-N 1 0 394.496 4.420 50 0 GIAARO Cc1nc(-c2cccs2)sc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025330822 207302801 /nfs/dbraw/zinc/30/28/01/207302801.db2.gz PFSWJBUHHYTTQL-ZDUSSCGKSA-N 1 0 377.560 4.274 50 0 GIAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025329907 207303367 /nfs/dbraw/zinc/30/33/67/207303367.db2.gz WWXAMOBVFAQHOO-NHYWBVRUSA-N 1 0 387.332 4.241 50 0 GIAARO Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027664533 207329451 /nfs/dbraw/zinc/32/94/51/207329451.db2.gz JTEOLBAXLISEKO-FQEVSTJZSA-N 1 0 386.923 4.289 50 0 GIAARO Cc1cccc(C)c1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027741480 207329730 /nfs/dbraw/zinc/32/97/30/207329730.db2.gz GNIWJQGJYXHRQD-LJQANCHMSA-N 1 0 386.561 4.477 50 0 GIAARO CCCOc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000027746404 207330119 /nfs/dbraw/zinc/33/01/19/207330119.db2.gz NLDSDEMJHUYQRP-QFIPXVFZSA-N 1 0 382.504 4.051 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2Br)[NH+]2CCCC2)cc1 ZINC000027794341 207331762 /nfs/dbraw/zinc/33/17/62/207331762.db2.gz WQRWBQQKKCJDDG-LJQANCHMSA-N 1 0 387.321 4.324 50 0 GIAARO COC[C@@H]1CC[N@H+](Cc2cn(-c3ccc(OC)cc3)nc2-c2cccc(F)c2)C1 ZINC000012579189 207324472 /nfs/dbraw/zinc/32/44/72/207324472.db2.gz KDOSTDGASPOIMS-QGZVFWFLSA-N 1 0 395.478 4.155 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000027581680 207327078 /nfs/dbraw/zinc/32/70/78/207327078.db2.gz HSYYIDAVKFWAHG-OAQYLSRUSA-N 1 0 386.923 4.371 50 0 GIAARO COc1ccc(C(=O)O[C@@H](COc2ccc(Cl)cc2)C[NH+]2CCCC2)cc1 ZINC000028580891 207344938 /nfs/dbraw/zinc/34/49/38/207344938.db2.gz JGQQHJZVFWFBFN-HXUWFJFHSA-N 1 0 389.879 4.049 50 0 GIAARO CC(C)(CNC(=O)CCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000029160981 207358913 /nfs/dbraw/zinc/35/89/13/207358913.db2.gz AJOJJICPGJZRGM-UHFFFAOYSA-N 1 0 375.516 4.054 50 0 GIAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)s1 ZINC000030901531 207377648 /nfs/dbraw/zinc/37/76/48/207377648.db2.gz CZTJFOFZSGRNTI-UHFFFAOYSA-N 1 0 383.492 4.076 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1csc(-c2ccco2)n1)c1ccsc1 ZINC000031984229 207389767 /nfs/dbraw/zinc/38/97/67/207389767.db2.gz VCRBAUMDLNGQMU-HNNXBMFYSA-N 1 0 375.519 4.278 50 0 GIAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000032930729 207421782 /nfs/dbraw/zinc/42/17/82/207421782.db2.gz FFWUIOZOUNSTMV-SFHVURJKSA-N 1 0 390.531 4.044 50 0 GIAARO Cc1cccc([C@H]2C[C@@H](C(=O)N3CCSCC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733619 207473148 /nfs/dbraw/zinc/47/31/48/207473148.db2.gz BPEQZQSWFLUXPW-XZOQPEGZSA-N 1 0 394.584 4.176 50 0 GIAARO Cc1cccc(N2CC[NH+](Cc3ccc(C(=O)NCC(C)C)cc3)CC2)c1C ZINC000034684862 207471423 /nfs/dbraw/zinc/47/14/23/207471423.db2.gz SOEJIRQCADOHSU-UHFFFAOYSA-N 1 0 379.548 4.011 50 0 GIAARO O=C1CC2(CN1)CC[NH+](Cc1cccc(OCc3ccccc3Cl)c1)CC2 ZINC000077541942 208048082 /nfs/dbraw/zinc/04/80/82/208048082.db2.gz PXEZPNSVZXAZJQ-UHFFFAOYSA-N 1 0 384.907 4.021 50 0 GIAARO COc1cc2cc(C[N@@H+]3CC[C@@H](O)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072407504 208016526 /nfs/dbraw/zinc/01/65/26/208016526.db2.gz SHYIPWVDBRIUHM-GOSISDBHSA-N 1 0 398.890 4.139 50 0 GIAARO COc1ccc2cc(CN3CC[C@H]([NH+](C)C)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072419865 208018992 /nfs/dbraw/zinc/01/89/92/208018992.db2.gz FYKCJKWWLHUNRC-NRFANRHFSA-N 1 0 375.516 4.355 50 0 GIAARO COc1ccc2cc(C[NH+]3CCC(CO)CC3)c(-c3cccc(C)c3)nc2c1 ZINC000072421925 208020615 /nfs/dbraw/zinc/02/06/15/208020615.db2.gz CTBPERKPGNXZSZ-UHFFFAOYSA-N 1 0 376.500 4.423 50 0 GIAARO Cn1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072422742 208021312 /nfs/dbraw/zinc/02/13/12/208021312.db2.gz KKCWQALGPKGGOW-QFIPXVFZSA-N 1 0 394.563 4.365 50 0 GIAARO Cc1nc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c2ccccn12 ZINC000072434681 208026052 /nfs/dbraw/zinc/02/60/52/208026052.db2.gz ZJQJQNMEXBHYGL-ODGPQVTHSA-N 1 0 375.516 4.295 50 0 GIAARO Cc1ccc2ncccc2c1C[NH+]1CCC2(CN(CCC(C)C)C(=O)O2)CC1 ZINC000072447548 208026907 /nfs/dbraw/zinc/02/69/07/208026907.db2.gz LYZREPFFLCBRGU-UHFFFAOYSA-N 1 0 381.520 4.376 50 0 GIAARO CC(=O)N[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3nc2-c2ccc(C)cc2)C1 ZINC000072477949 208033654 /nfs/dbraw/zinc/03/36/54/208033654.db2.gz HKEWAOSEHWFMTF-OAQYLSRUSA-N 1 0 377.463 4.060 50 0 GIAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cc(C(C)(C)C)n[nH]3)CC2)c1 ZINC000077287411 208036928 /nfs/dbraw/zinc/03/69/28/208036928.db2.gz IRDAELAWFRNSKB-UHFFFAOYSA-N 1 0 393.535 4.486 50 0 GIAARO Cc1ncsc1C[NH+]1CCC2(CN(C[C@H](C)c3ccccc3)C(=O)O2)CC1 ZINC000077341000 208038425 /nfs/dbraw/zinc/03/84/25/208038425.db2.gz BBWQNOAADJFWLY-INIZCTEOSA-N 1 0 385.533 4.042 50 0 GIAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000077407667 208043105 /nfs/dbraw/zinc/04/31/05/208043105.db2.gz RJVDWMZBFZFOIX-MRXNPFEDSA-N 1 0 383.927 4.406 50 0 GIAARO Cc1c2cc(F)ccc2[nH]c1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000077408371 208044104 /nfs/dbraw/zinc/04/41/04/208044104.db2.gz KVRHIZNIWRPWQG-PZJWPPBQSA-N 1 0 379.479 4.094 50 0 GIAARO Cc1cc(C)n(-c2cccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)c2)n1 ZINC000078698628 208063802 /nfs/dbraw/zinc/06/38/02/208063802.db2.gz QTRGRBWKBIOBEH-UHFFFAOYSA-N 1 0 388.515 4.340 50 0 GIAARO CC(=O)c1ccc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000079107754 208072174 /nfs/dbraw/zinc/07/21/74/208072174.db2.gz ZGKYHSAXRJNYES-IRXDYDNUSA-N 1 0 379.504 4.167 50 0 GIAARO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000091645137 208127714 /nfs/dbraw/zinc/12/77/14/208127714.db2.gz UXNBKIPNSWWJHL-QHCPKHFHSA-N 1 0 391.471 4.310 50 0 GIAARO FC(F)(F)c1cccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)c1 ZINC000091663257 208132619 /nfs/dbraw/zinc/13/26/19/208132619.db2.gz CSUZRDFFFYCRBB-AZUAARDMSA-N 1 0 375.438 4.197 50 0 GIAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000091770023 208137396 /nfs/dbraw/zinc/13/73/96/208137396.db2.gz OQVZWILNZOCVDH-UHFFFAOYSA-N 1 0 376.422 4.201 50 0 GIAARO C[NH+](C)CC1CCC(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000089314209 208105722 /nfs/dbraw/zinc/10/57/22/208105722.db2.gz BHGZWOOUGCDNND-UHFFFAOYSA-N 1 0 384.495 4.255 50 0 GIAARO Cc1ccc(C)c(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c1 ZINC000091365098 208118353 /nfs/dbraw/zinc/11/83/53/208118353.db2.gz ITNXMWSRQDZUPB-UHFFFAOYSA-N 1 0 377.532 4.103 50 0 GIAARO CCCc1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)o1 ZINC000091452163 208119237 /nfs/dbraw/zinc/11/92/37/208119237.db2.gz WPVIZTIJURKJQX-UHFFFAOYSA-N 1 0 381.520 4.032 50 0 GIAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1C ZINC000095370220 208165306 /nfs/dbraw/zinc/16/53/06/208165306.db2.gz DKOXJBMKLQPTBG-FTBPSBKWSA-N 1 0 390.527 4.094 50 0 GIAARO CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095370623 208165895 /nfs/dbraw/zinc/16/58/95/208165895.db2.gz WNPAZGSVAVJHGX-FQEVSTJZSA-N 1 0 390.531 4.043 50 0 GIAARO C[C@@H](C[NH+]1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1)c1ccccc1 ZINC000092002151 208147443 /nfs/dbraw/zinc/14/74/43/208147443.db2.gz ISHHZQUTXYWQFS-NRFANRHFSA-N 1 0 391.559 4.132 50 0 GIAARO CCc1ccccc1C[NH+]1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000092002812 208147563 /nfs/dbraw/zinc/14/75/63/208147563.db2.gz YSQIOZNHMQQSFE-UHFFFAOYSA-N 1 0 377.532 4.049 50 0 GIAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N(Cc1nccs1)Cc1ccccc1 ZINC000095390988 208177883 /nfs/dbraw/zinc/17/78/83/208177883.db2.gz ZADQCSBIJPCUSS-UHFFFAOYSA-N 1 0 395.528 4.177 50 0 GIAARO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000095427831 208181989 /nfs/dbraw/zinc/18/19/89/208181989.db2.gz GKZLCMSFGZNVCS-LJQANCHMSA-N 1 0 397.954 4.081 50 0 GIAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000095416228 208182474 /nfs/dbraw/zinc/18/24/74/208182474.db2.gz WQYVKMTWYWANPX-DLBZAZTESA-N 1 0 375.488 4.238 50 0 GIAARO CC[N@H+](CCC1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1)CC1CC1 ZINC000095457402 208185862 /nfs/dbraw/zinc/18/58/62/208185862.db2.gz YYDFFRLCCJGYEG-UHFFFAOYSA-N 1 0 399.583 4.048 50 0 GIAARO Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466146 208189492 /nfs/dbraw/zinc/18/94/92/208189492.db2.gz WUAHZZAYHJMNGF-APWZRJJASA-N 1 0 385.577 4.290 50 0 GIAARO COc1cc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)cc(OC)c1OC(F)F ZINC000095463788 208189574 /nfs/dbraw/zinc/18/95/74/208189574.db2.gz VNAKQHFGCLTCFN-KPZWWZAWSA-N 1 0 399.409 4.310 50 0 GIAARO O=C(CC1(n2cccc2)CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095475392 208192891 /nfs/dbraw/zinc/19/28/91/208192891.db2.gz KVONRVKRHILFCA-UHFFFAOYSA-N 1 0 379.548 4.318 50 0 GIAARO Cc1ccnc(C[C@H](C)N(C)C(=O)Nc2ccccc2C[NH+]2CCCCC2)c1 ZINC000095497576 208197513 /nfs/dbraw/zinc/19/75/13/208197513.db2.gz BUZGYKODFQRUQG-IBGZPJMESA-N 1 0 380.536 4.471 50 0 GIAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000095501054 208200547 /nfs/dbraw/zinc/20/05/47/208200547.db2.gz NOGNSTWWQMITHQ-GOSISDBHSA-N 1 0 384.568 4.454 50 0 GIAARO O=C(c1cc2sccc2[nH]1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095500471 208202572 /nfs/dbraw/zinc/20/25/72/208202572.db2.gz LWTSLHXMLKBUMY-ZLGUVYLKSA-N 1 0 395.503 4.071 50 0 GIAARO CCn1nc(C)c(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c1C ZINC000095528851 208224985 /nfs/dbraw/zinc/22/49/85/208224985.db2.gz VTNGRNPAJBGRTB-XZOQPEGZSA-N 1 0 380.580 4.049 50 0 GIAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](Cc1cccc(O)c1)CC2 ZINC000095531814 208228491 /nfs/dbraw/zinc/22/84/91/208228491.db2.gz VLEAFRFANBJVGZ-UHFFFAOYSA-N 1 0 384.907 4.060 50 0 GIAARO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000096151460 208276773 /nfs/dbraw/zinc/27/67/73/208276773.db2.gz PVERKIKIRYWBSN-KRWDZBQOSA-N 1 0 381.524 4.196 50 0 GIAARO COc1cccc(N2CC[C@H](C[NH2+]Cc3c(OC)ccc4ccccc43)C2)c1 ZINC000095961592 208245796 /nfs/dbraw/zinc/24/57/96/208245796.db2.gz DOLKMGZLPMUJLW-GOSISDBHSA-N 1 0 376.500 4.473 50 0 GIAARO Cc1csc(SCc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2)n1 ZINC000095963622 208246204 /nfs/dbraw/zinc/24/62/04/208246204.db2.gz UQMFHPNREVMIEJ-UHFFFAOYSA-N 1 0 398.557 4.453 50 0 GIAARO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CCC(N2C(=O)CCC2=O)CC1 ZINC000095983729 208248454 /nfs/dbraw/zinc/24/84/54/208248454.db2.gz PMFMJNULFOSWMX-LBXVMSDZSA-N 1 0 384.520 4.074 50 0 GIAARO Cc1nccn1Cc1cccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1 ZINC000096006899 208251112 /nfs/dbraw/zinc/25/11/12/208251112.db2.gz OIWFELPLHZGDAJ-UHFFFAOYSA-N 1 0 375.516 4.160 50 0 GIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)N1CC(Oc2ccccc2F)C1 ZINC000096137861 208269532 /nfs/dbraw/zinc/26/95/32/208269532.db2.gz FPKQWYCWSKMUTK-UHFFFAOYSA-N 1 0 383.467 4.107 50 0 GIAARO Cc1cccc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)n1 ZINC000096139467 208270576 /nfs/dbraw/zinc/27/05/76/208270576.db2.gz ZRKFEEKQZGZGLU-QHCPKHFHSA-N 1 0 389.543 4.151 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323684 208309253 /nfs/dbraw/zinc/30/92/53/208309253.db2.gz QQWKMYXOURXVOE-HNNXBMFYSA-N 1 0 396.466 4.315 50 0 GIAARO CCOc1cc(/C=C\C(=O)NCc2ccccc2C[NH+](CC)CC)ccc1OC ZINC000096912710 208328549 /nfs/dbraw/zinc/32/85/49/208328549.db2.gz QFPVTIMXFKGYAW-SQFISAMPSA-N 1 0 396.531 4.265 50 0 GIAARO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccnc1C(F)(F)F ZINC000097230394 208344029 /nfs/dbraw/zinc/34/40/29/208344029.db2.gz VTIHLXMCHFEDBB-UHFFFAOYSA-N 1 0 395.450 4.210 50 0 GIAARO CC(C)c1nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2o1 ZINC000096399380 208316248 /nfs/dbraw/zinc/31/62/48/208316248.db2.gz OQQDLXNGJHOUKW-UHFFFAOYSA-N 1 0 377.488 4.346 50 0 GIAARO CSc1cccc2sc(N(CC[NH+](C)C)C(=O)c3cccs3)nc21 ZINC000007599580 208690848 /nfs/dbraw/zinc/69/08/48/208690848.db2.gz JUXHBEUDMWMNCY-UHFFFAOYSA-N 1 0 377.560 4.288 50 0 GIAARO CC(C)[C@@H]1C[C@](CC[NH+]2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 ZINC000022935351 208858515 /nfs/dbraw/zinc/85/85/15/208858515.db2.gz KYMXTLSYOMGHST-VXKWHMMOSA-N 1 0 378.988 4.341 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cnn1C(C)C ZINC000242339091 209021839 /nfs/dbraw/zinc/02/18/39/209021839.db2.gz ZEVHHENAVBXWAU-INIZCTEOSA-N 1 0 377.492 4.271 50 0 GIAARO CC(C)N(C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1)C(C)C ZINC000248174634 209028900 /nfs/dbraw/zinc/02/89/00/209028900.db2.gz UXGGHSBDIIMNPJ-IBGZPJMESA-N 1 0 384.568 4.475 50 0 GIAARO CCCCN(C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1)C(C)C ZINC000248018585 209030636 /nfs/dbraw/zinc/03/06/36/209030636.db2.gz TYNFYKOSBAEHHI-LJQANCHMSA-N 1 0 384.568 4.305 50 0 GIAARO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2CC)C1 ZINC000249700073 209031992 /nfs/dbraw/zinc/03/19/92/209031992.db2.gz XFQRNDGAYIXCGR-IBGZPJMESA-N 1 0 390.531 4.469 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)nc2ccccc21 ZINC000248264901 209032059 /nfs/dbraw/zinc/03/20/59/209032059.db2.gz SBFYJGYUNTWSLQ-QUCCMNQESA-N 1 0 390.531 4.146 50 0 GIAARO COc1cc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)ccc1C ZINC000252490221 209034657 /nfs/dbraw/zinc/03/46/57/209034657.db2.gz KMJNGKHQJFAIRG-UHFFFAOYSA-N 1 0 390.487 4.010 50 0 GIAARO Clc1cccc(Cn2cc(C[NH2+]CCCN3CCOCC3)c3ccccc32)c1 ZINC000253491163 209040877 /nfs/dbraw/zinc/04/08/77/209040877.db2.gz LJBSKHPTVAQFKF-UHFFFAOYSA-N 1 0 397.950 4.155 50 0 GIAARO CC(C)c1nc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)cs1 ZINC000299772538 209087155 /nfs/dbraw/zinc/08/71/55/209087155.db2.gz AWCZCCFHRNRYNM-ZCNNSNEGSA-N 1 0 383.561 4.151 50 0 GIAARO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 ZINC000015063211 221327398 /nfs/dbraw/zinc/32/73/98/221327398.db2.gz AAYOAKXYQMHMJF-ZDUSSCGKSA-N 1 0 385.414 4.096 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860283 221349218 /nfs/dbraw/zinc/34/92/18/221349218.db2.gz XEPPSJFQYLXVPK-IBGZPJMESA-N 1 0 390.911 4.210 50 0 GIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000016442787 221362949 /nfs/dbraw/zinc/36/29/49/221362949.db2.gz CLDKLSSHOBAMMJ-QGZVFWFLSA-N 1 0 395.503 4.151 50 0 GIAARO Clc1cccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccccc4)CC3)c21 ZINC000061947415 136156087 /nfs/dbraw/zinc/15/60/87/136156087.db2.gz KWAVCDPGRQDGPN-UHFFFAOYSA-N 1 0 377.879 4.087 50 0 GIAARO CCn1ccnc1C[N@@H+]1CCCC12CCN(c1ccc3ncccc3c1)CC2 ZINC000072434423 136170426 /nfs/dbraw/zinc/17/04/26/136170426.db2.gz XWKFHXSMACLWFP-UHFFFAOYSA-N 1 0 375.520 4.086 50 0 GIAARO O=C1CC[C@@]2(CCCN(c3cc[nH+]c4ccccc43)C2)CN1Cc1ccccn1 ZINC000091475419 136176436 /nfs/dbraw/zinc/17/64/36/136176436.db2.gz ZPNYHDRKYMCRQG-XMMPIXPASA-N 1 0 386.499 4.039 50 0 GIAARO CC[C@H]([NH2+]C1CCN(c2nc(C)nc3sccc32)CC1)c1ccc(C)cn1 ZINC000096138579 136184383 /nfs/dbraw/zinc/18/43/83/136184383.db2.gz LULJOPKKNHGREJ-SFHVURJKSA-N 1 0 381.549 4.413 50 0 GIAARO CC[NH+]1CCN(c2nc(-c3cccs3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000096346073 136186584 /nfs/dbraw/zinc/18/65/84/136186584.db2.gz OTAKHHRLQJHUAS-UHFFFAOYSA-N 1 0 391.500 4.155 50 0 GIAARO Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000096766506 136187575 /nfs/dbraw/zinc/18/75/75/136187575.db2.gz KXTMPZVJFFDALJ-UHFFFAOYSA-N 1 0 397.526 4.335 50 0 GIAARO Cc1cc(C)nc(-c2cccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)c2)c1 ZINC000299763745 209085438 /nfs/dbraw/zinc/08/54/38/209085438.db2.gz QQNOWKRAUXZJKT-FQEVSTJZSA-N 1 0 379.529 4.460 50 0 GIAARO CC(C)c1ccc(CN2CCC[C@@]3(CC[N@H+](Cc4cscn4)C3)C2=O)cc1 ZINC000426593858 528092264 /nfs/dbraw/zinc/09/22/64/528092264.db2.gz TXUPZVVBMIPDHF-QFIPXVFZSA-N 1 0 383.561 4.281 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000047866290 570215737 /nfs/dbraw/zinc/21/57/37/570215737.db2.gz HIDHTGAMCPVOCI-HXUWFJFHSA-N 1 0 399.922 4.127 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cccc3c2O[C@H](C)[C@H]3C)[NH+]2CCCC2)cc1 ZINC000012812827 570226497 /nfs/dbraw/zinc/22/64/97/570226497.db2.gz CQSLJXBRRNJIEF-YVHKJVDXSA-N 1 0 394.515 4.147 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)Nc1cnc2ccccc2c1)[NH+]1CCCC1 ZINC000048309703 570232812 /nfs/dbraw/zinc/23/28/12/570232812.db2.gz HUFYBESVKVUAND-OAQYLSRUSA-N 1 0 390.487 4.202 50 0 GIAARO C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000048300948 570234180 /nfs/dbraw/zinc/23/41/80/570234180.db2.gz FBDWXMCPIUONOI-SFHVURJKSA-N 1 0 385.847 4.494 50 0 GIAARO CC[N@H+](C)Cc1cccc(CNc2ncnc3c(Br)cccc23)c1 ZINC000048344089 570240180 /nfs/dbraw/zinc/24/01/80/570240180.db2.gz HIYWCASOGHLINE-UHFFFAOYSA-N 1 0 385.309 4.456 50 0 GIAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000072304585 570269508 /nfs/dbraw/zinc/26/95/08/570269508.db2.gz JWMPIQYSQUGOSO-JXMROGBWSA-N 1 0 399.922 4.142 50 0 GIAARO CCc1ccc2oc(=O)cc(C[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c2c1 ZINC000035257759 570277907 /nfs/dbraw/zinc/27/79/07/570277907.db2.gz IUQHMCGJVLPRKN-GOSISDBHSA-N 1 0 376.500 4.375 50 0 GIAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1ccc(Cl)c(F)c1 ZINC000002515240 570289348 /nfs/dbraw/zinc/28/93/48/570289348.db2.gz PEHZSZCYKXJYAC-UHFFFAOYSA-N 1 0 389.854 4.049 50 0 GIAARO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000012929958 570298788 /nfs/dbraw/zinc/29/87/88/570298788.db2.gz BOPMAVXWOUSGGA-UHFFFAOYSA-N 1 0 397.906 4.178 50 0 GIAARO Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000072308202 570303055 /nfs/dbraw/zinc/30/30/55/570303055.db2.gz TZIHFAKMBLWSMZ-ZDUSSCGKSA-N 1 0 394.338 4.065 50 0 GIAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc12 ZINC000010815359 570303923 /nfs/dbraw/zinc/30/39/23/570303923.db2.gz RJOPAPPDNUWODO-UHFFFAOYSA-N 1 0 396.560 4.434 50 0 GIAARO Cc1ccc(-n2cc(CN3CC[N@H+](C)[C@@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000106948837 570307475 /nfs/dbraw/zinc/30/74/75/570307475.db2.gz BVZILWMMTCOXFM-SFHVURJKSA-N 1 0 378.495 4.123 50 0 GIAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000002846165 570307631 /nfs/dbraw/zinc/30/76/31/570307631.db2.gz GZFBOMZAQBAFPC-UHFFFAOYSA-N 1 0 390.694 4.316 50 0 GIAARO C[NH2+]C[C@H]1CCCN(C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000237088956 570328054 /nfs/dbraw/zinc/32/80/54/570328054.db2.gz AMTRWUNWAKOBJK-CYBMUJFWSA-N 1 0 397.466 4.209 50 0 GIAARO C[NH2+]C1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 ZINC000237140426 570330215 /nfs/dbraw/zinc/33/02/15/570330215.db2.gz YAZOIUQWLGYUJZ-UHFFFAOYSA-N 1 0 380.275 4.005 50 0 GIAARO COc1cccc(C[NH2+]CCOc2ccccn2)c1OCc1cccc(Cl)c1 ZINC000113395542 570330852 /nfs/dbraw/zinc/33/08/52/570330852.db2.gz ICOCQDNDLSCTPQ-UHFFFAOYSA-N 1 0 398.890 4.491 50 0 GIAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(s2)c(Cl)ccc3C)on1 ZINC000011694239 570343246 /nfs/dbraw/zinc/34/32/46/570343246.db2.gz FJPLZFFHEWNXRW-UHFFFAOYSA-N 1 0 392.912 4.153 50 0 GIAARO O=C(c1ccc(-c2ccsc2)cc1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575617048 570359874 /nfs/dbraw/zinc/35/98/74/570359874.db2.gz WBLXTJUXXIEUPG-UHFFFAOYSA-N 1 0 386.586 4.459 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000004302787 570366781 /nfs/dbraw/zinc/36/67/81/570366781.db2.gz AXMITCHOPGIFPP-UHFFFAOYSA-N 1 0 393.462 4.319 50 0 GIAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cc(F)ccc1F ZINC000004921980 570369723 /nfs/dbraw/zinc/36/97/23/570369723.db2.gz PGJZLVUPGIHQLK-UHFFFAOYSA-N 1 0 395.409 4.142 50 0 GIAARO COC(=O)c1c(NCC[N@H+](C)C2CCCCC2)onc1-c1ccc(Cl)cc1 ZINC000035509967 570382267 /nfs/dbraw/zinc/38/22/67/570382267.db2.gz XMLCDZCFIQNQHL-UHFFFAOYSA-N 1 0 391.899 4.458 50 0 GIAARO CCc1ccccc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C1CC[NH2+]CC1 ZINC000004992084 570390726 /nfs/dbraw/zinc/39/07/26/570390726.db2.gz CURZGDDYRVAKOW-UHFFFAOYSA-N 1 0 388.515 4.462 50 0 GIAARO CC1CC[NH+]([C@H](CNC(=O)c2cnn(-c3ccccc3)c2)c2cccs2)CC1 ZINC000032748019 570393539 /nfs/dbraw/zinc/39/35/39/570393539.db2.gz ORJIVAJPJSUUKD-HXUWFJFHSA-N 1 0 394.544 4.137 50 0 GIAARO C[NH+](C)[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000004700985 570395006 /nfs/dbraw/zinc/39/50/06/570395006.db2.gz IRVQBVBJMQSBCO-PMACEKPBSA-N 1 0 386.904 4.129 50 0 GIAARO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OCc1ccccc1 ZINC000005022395 570398653 /nfs/dbraw/zinc/39/86/53/570398653.db2.gz ADTXDAZRNREXTR-UHFFFAOYSA-N 1 0 377.440 4.293 50 0 GIAARO O[C@H](COCC(c1ccccc1)c1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000035590817 570398962 /nfs/dbraw/zinc/39/89/62/570398962.db2.gz GQPBGIFQSTUTAH-VWLOTQADSA-N 1 0 387.523 4.254 50 0 GIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc(OC)c3)=NN12 ZINC000005092462 570415534 /nfs/dbraw/zinc/41/55/34/570415534.db2.gz MIMZYZIQXOUVCL-QFIPXVFZSA-N 1 0 391.515 4.441 50 0 GIAARO O[C@@]1(c2ccccc2)CN2CCCCCC2=[N+]1c1cccc(C(F)(F)F)c1 ZINC000001744528 570419633 /nfs/dbraw/zinc/41/96/33/570419633.db2.gz GPZJRZQUERQXAV-HXUWFJFHSA-N 1 0 375.414 4.356 50 0 GIAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)Cc3ccccc3)sc2c1 ZINC000005122329 570421759 /nfs/dbraw/zinc/42/17/59/570421759.db2.gz LWVDQUYVNZKIDV-UHFFFAOYSA-N 1 0 381.545 4.386 50 0 GIAARO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1OCc1ccccc1 ZINC000005019741 570424239 /nfs/dbraw/zinc/42/42/39/570424239.db2.gz RFPXCCJECMGPNA-UHFFFAOYSA-N 1 0 377.440 4.293 50 0 GIAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000027389669 570434218 /nfs/dbraw/zinc/43/42/18/570434218.db2.gz XGVJDPUJVZRGBU-UHFFFAOYSA-N 1 0 376.422 4.362 50 0 GIAARO Cn1c2ccccc2nc1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000005615992 570449103 /nfs/dbraw/zinc/44/91/03/570449103.db2.gz PRPSKBOIOCBMDG-UHFFFAOYSA-N 1 0 380.495 4.465 50 0 GIAARO C[NH+](C)CC(=O)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000005797660 570457443 /nfs/dbraw/zinc/45/74/43/570457443.db2.gz GVJWWWGOKWHSQH-JOCHJYFZSA-N 1 0 379.548 4.470 50 0 GIAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000006576849 570481041 /nfs/dbraw/zinc/48/10/41/570481041.db2.gz NHBIUSXQFCMSRS-PMOQBDJRSA-N 1 0 383.463 4.423 50 0 GIAARO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCC(=O)N1CCCCC1 ZINC000006701159 570489051 /nfs/dbraw/zinc/48/90/51/570489051.db2.gz UMMZKNZRXCISHV-UHFFFAOYSA-N 1 0 388.552 4.289 50 0 GIAARO CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000064593964 570490616 /nfs/dbraw/zinc/49/06/16/570490616.db2.gz QMKLWYFTQJJINB-UHFFFAOYSA-N 1 0 375.516 4.038 50 0 GIAARO Cc1nc(-c2ccccc2F)sc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043746913 570503478 /nfs/dbraw/zinc/50/34/78/570503478.db2.gz YLTOHZVDYJFKAP-YJBOKZPZSA-N 1 0 387.524 4.252 50 0 GIAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(C)cc1 ZINC000002693629 570504305 /nfs/dbraw/zinc/50/43/05/570504305.db2.gz CTPBRRWHOKYBEL-UHFFFAOYSA-N 1 0 391.540 4.080 50 0 GIAARO Clc1cccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1Cl ZINC000007541402 570507833 /nfs/dbraw/zinc/50/78/33/570507833.db2.gz ZMFVOQYENVEMEZ-UHFFFAOYSA-N 1 0 394.331 4.241 50 0 GIAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1)c1ccc(F)cc1 ZINC000064669613 570514552 /nfs/dbraw/zinc/51/45/52/570514552.db2.gz UGBNHZMASYKORJ-QGZVFWFLSA-N 1 0 393.506 4.407 50 0 GIAARO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000072304968 570515133 /nfs/dbraw/zinc/51/51/33/570515133.db2.gz WCHMADIPWOELLU-IBGZPJMESA-N 1 0 390.911 4.041 50 0 GIAARO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000072305162 570517087 /nfs/dbraw/zinc/51/70/87/570517087.db2.gz OGRKSUSQAHHCPV-OALUTQOASA-N 1 0 382.552 4.198 50 0 GIAARO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000011093680 570517719 /nfs/dbraw/zinc/51/77/19/570517719.db2.gz DURDNHKKIPNWCX-HTAPYJJXSA-N 1 0 382.504 4.389 50 0 GIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1F ZINC000011093990 570518049 /nfs/dbraw/zinc/51/80/49/570518049.db2.gz UQZXMLLEAVAFMV-VFNWGFHPSA-N 1 0 386.467 4.219 50 0 GIAARO O=C(CNCc1ccco1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000002887621 570520121 /nfs/dbraw/zinc/52/01/21/570520121.db2.gz PNZYMBXXSGKJJY-UHFFFAOYSA-N 1 0 396.299 4.362 50 0 GIAARO CCOc1cc(C[NH2+]CCOC)cc(Br)c1OCc1ccccc1 ZINC000008254049 570526004 /nfs/dbraw/zinc/52/60/04/570526004.db2.gz FUCJHAKQOJKAQB-UHFFFAOYSA-N 1 0 394.309 4.163 50 0 GIAARO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072308209 570526705 /nfs/dbraw/zinc/52/67/05/570526705.db2.gz FSNXHTHLXDPLOL-MRXNPFEDSA-N 1 0 393.409 4.139 50 0 GIAARO CC[NH+]1CCN(c2ccc(Nc3ccnc4c5nsnc5ccc34)cc2)CC1 ZINC000002998963 570526990 /nfs/dbraw/zinc/52/69/90/570526990.db2.gz ZVTDOWORMLUEFQ-UHFFFAOYSA-N 1 0 390.516 4.125 50 0 GIAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C(C)C)cc1OC ZINC000036095803 570535450 /nfs/dbraw/zinc/53/54/50/570535450.db2.gz OOFBLKKIBDXFTI-SFHVURJKSA-N 1 0 393.911 4.008 50 0 GIAARO CCO[C@H](C)c1nc(C)c(C(=O)O[C@@H](CC[NH+](C)C)c2cccs2)s1 ZINC000072310683 570536944 /nfs/dbraw/zinc/53/69/44/570536944.db2.gz TWJWBXDPMGUFDZ-KGLIPLIRSA-N 1 0 382.551 4.460 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2C)cc1 ZINC000036102176 570539198 /nfs/dbraw/zinc/53/91/98/570539198.db2.gz KSTUNJDSKFSIIO-QHCPKHFHSA-N 1 0 391.511 4.446 50 0 GIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cn(C)c4ccccc24)N3)C1 ZINC000006708424 570545572 /nfs/dbraw/zinc/54/55/72/570545572.db2.gz BOIDWPYHJDUPIL-LJQANCHMSA-N 1 0 380.517 4.435 50 0 GIAARO CCCCn1c2ccc(F)cc2c2nnc(SCC[NH+](CC)CC)nc21 ZINC000006721441 570549901 /nfs/dbraw/zinc/54/99/01/570549901.db2.gz ZGNHGIGBHCYJKW-UHFFFAOYSA-N 1 0 375.517 4.353 50 0 aggregator GIAARO O=C(NCc1ccc(C(F)(F)F)cc1)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818092 570553473 /nfs/dbraw/zinc/55/34/73/570553473.db2.gz PCGTWMWLASUHGT-UHFFFAOYSA-N 1 0 392.396 4.293 50 0 GIAARO CC[N@H+](CCCNc1c(=O)c(=O)c1-c1ccc(C(C)C)cc1)Cc1ccccc1 ZINC000006749346 570567359 /nfs/dbraw/zinc/56/73/59/570567359.db2.gz XSDIUFRMTULSRB-UHFFFAOYSA-N 1 0 390.527 4.397 50 0 GIAARO CC(C)Sc1nc2c3c(sc2c(NCCCC[NH3+])n1)CC(C)(C)OC3 ZINC000006760206 570574728 /nfs/dbraw/zinc/57/47/28/570574728.db2.gz GJBNPIKRUYXOGJ-UHFFFAOYSA-N 1 0 380.583 4.194 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2cnn(-c3ccccc3F)c2)cnn1-c1cccc(F)c1 ZINC000011767270 570581987 /nfs/dbraw/zinc/58/19/87/570581987.db2.gz RUWJEDRJXQCLRA-HNNXBMFYSA-N 1 0 393.441 4.495 50 0 GIAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2ccc(COC)o2)C1 ZINC000011773245 570582036 /nfs/dbraw/zinc/58/20/36/570582036.db2.gz UQKCHGLNIVRFFU-QHCPKHFHSA-N 1 0 385.504 4.122 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cnn1-c1ccccc1 ZINC000011815860 570583969 /nfs/dbraw/zinc/58/39/69/570583969.db2.gz TVQMEQMIBWBRGA-MRXNPFEDSA-N 1 0 375.451 4.356 50 0 GIAARO c1cnn(CCCN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000011821326 570586211 /nfs/dbraw/zinc/58/62/11/570586211.db2.gz HZLIOGWZDDUZIM-QHCPKHFHSA-N 1 0 395.595 4.215 50 0 GIAARO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3cccc4ccccc43)oc2C)CC1=O ZINC000011838910 570586791 /nfs/dbraw/zinc/58/67/91/570586791.db2.gz FDCFZCNOEWGEGY-QGZVFWFLSA-N 1 0 377.488 4.103 50 0 GIAARO CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000011843767 570588440 /nfs/dbraw/zinc/58/84/40/570588440.db2.gz HPFBENQLTVZBJL-IBGZPJMESA-N 1 0 384.545 4.120 50 0 GIAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1c[nH]c2ccccc12 ZINC000011879051 570590496 /nfs/dbraw/zinc/59/04/96/570590496.db2.gz NISOUUFTXOOLDA-UHFFFAOYSA-N 1 0 393.506 4.334 50 0 GIAARO CC(=O)c1cc(CC(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000011879594 570591290 /nfs/dbraw/zinc/59/12/90/570591290.db2.gz IURJFBKEUXDAJL-NRFANRHFSA-N 1 0 398.572 4.049 50 0 GIAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccco3)O2)CC1 ZINC000011881525 570591800 /nfs/dbraw/zinc/59/18/00/570591800.db2.gz HDHMNXYYOITSCQ-WEIUTZTHSA-N 1 0 394.515 4.127 50 0 GIAARO COCCNC(=O)CCC1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000011955103 570595840 /nfs/dbraw/zinc/59/58/40/570595840.db2.gz UMHZMQXIVJXVKW-UHFFFAOYSA-N 1 0 396.531 4.234 50 0 GIAARO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3-c3ccco3)CC2)O1 ZINC000011964654 570596280 /nfs/dbraw/zinc/59/62/80/570596280.db2.gz VZYYNKLRNVPGRO-FQEVSTJZSA-N 1 0 396.531 4.232 50 0 GIAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1C1CCCCCCC1 ZINC000012000295 570597912 /nfs/dbraw/zinc/59/79/12/570597912.db2.gz IGHLKTKHFAERJG-FQEVSTJZSA-N 1 0 376.516 4.288 50 0 GIAARO Cc1ccc(C)c(-n2cc(C[N@H+](C)C[C@H]3COCCO3)c(-c3ccccc3)n2)c1 ZINC000012048930 570600428 /nfs/dbraw/zinc/60/04/28/570600428.db2.gz QUZKNPZXGMWOCU-QFIPXVFZSA-N 1 0 391.515 4.003 50 0 GIAARO CCC[N@H+](Cc1cc(C(C)(C)C)on1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000225678764 570601893 /nfs/dbraw/zinc/60/18/93/570601893.db2.gz DFMUMVYXMFHDHJ-UHFFFAOYSA-N 1 0 383.536 4.489 50 0 GIAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H](CO)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000012056936 570602579 /nfs/dbraw/zinc/60/25/79/570602579.db2.gz JIMRBUSZHKXWNQ-FQEVSTJZSA-N 1 0 375.516 4.360 50 0 GIAARO CSCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 ZINC000012072522 570603902 /nfs/dbraw/zinc/60/39/02/570603902.db2.gz YXVZVXKPIXIWFB-HXUWFJFHSA-N 1 0 386.565 4.035 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCOc4ccccc4)C3)C2)c1 ZINC000012091376 570607613 /nfs/dbraw/zinc/60/76/13/570607613.db2.gz HWUWISSUXVFSGT-RUZDIDTESA-N 1 0 392.543 4.279 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(C)cc3)=NN12 ZINC000005477579 570607676 /nfs/dbraw/zinc/60/76/76/570607676.db2.gz AWBLSBZBJMZZPF-NRFANRHFSA-N 1 0 391.515 4.359 50 0 GIAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccccc1C ZINC000040736843 570610323 /nfs/dbraw/zinc/61/03/23/570610323.db2.gz GZKNHIIQBUBBCQ-UHFFFAOYSA-N 1 0 396.531 4.075 50 0 GIAARO Cc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036343586 570626128 /nfs/dbraw/zinc/62/61/28/570626128.db2.gz LURISXVVVKFFSK-QHCPKHFHSA-N 1 0 375.516 4.385 50 0 GIAARO CSCc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)o1 ZINC000012297805 570634130 /nfs/dbraw/zinc/63/41/30/570634130.db2.gz KOOFFMQKJXKDIU-IBGZPJMESA-N 1 0 386.561 4.312 50 0 GIAARO O=C(c1ccc(OC2CC[NH+](Cc3cccc(O)c3)CC2)cc1)N1CCCCC1 ZINC000012300316 570635769 /nfs/dbraw/zinc/63/57/69/570635769.db2.gz XDJFBSUIARMYJB-UHFFFAOYSA-N 1 0 394.515 4.062 50 0 GIAARO CC(C)Cc1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300970 570635823 /nfs/dbraw/zinc/63/58/23/570635823.db2.gz TVPDIWZAKVQGHQ-FQEVSTJZSA-N 1 0 386.559 4.134 50 0 GIAARO CN(Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012301666 570636319 /nfs/dbraw/zinc/63/63/19/570636319.db2.gz MVMJCWGCKIHBBQ-GOSISDBHSA-N 1 0 398.501 4.228 50 0 GIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012317272 570641748 /nfs/dbraw/zinc/64/17/48/570641748.db2.gz RBLAPTFMJKPOMM-OAQYLSRUSA-N 1 0 388.515 4.360 50 0 GIAARO O=C(Cc1csc(-c2ccccc2)n1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000006869793 570658179 /nfs/dbraw/zinc/65/81/79/570658179.db2.gz ZLCIHTVEYKPGPB-LJQANCHMSA-N 1 0 395.528 4.289 50 0 GIAARO COc1ccc(C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1C ZINC000012432163 570659979 /nfs/dbraw/zinc/65/99/79/570659979.db2.gz VIUSUTMBTKQSHU-UHFFFAOYSA-N 1 0 398.522 4.169 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1)N1CCOCC1 ZINC000012458248 570669582 /nfs/dbraw/zinc/66/95/82/570669582.db2.gz ZNCWGEXNEWCGKA-UHFFFAOYSA-N 1 0 392.543 4.205 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4oc(C)cc4C)C3)C2)c1 ZINC000012458279 570669851 /nfs/dbraw/zinc/66/98/51/570669851.db2.gz GZBDUHBQQRLMIC-QHCPKHFHSA-N 1 0 382.504 4.033 50 0 GIAARO Cc1nn2c(nc(C)cc2N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000054274579 570677311 /nfs/dbraw/zinc/67/73/11/570677311.db2.gz SOWWXJQFIFQBAG-UHFFFAOYSA-N 1 0 397.526 4.335 50 0 GIAARO O[C@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)COCc1ccccc1Cl ZINC000036396214 570679553 /nfs/dbraw/zinc/67/95/53/570679553.db2.gz YJZKYLICWBIDMW-QAPCUYQASA-N 1 0 381.900 4.183 50 0 GIAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000012574317 570681819 /nfs/dbraw/zinc/68/18/19/570681819.db2.gz LFQVNQATVJTQPI-INIZCTEOSA-N 1 0 389.398 4.112 50 0 GIAARO Cc1nc(CSCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cs1 ZINC000036398571 570683342 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384.520 4.425 50 0 GIAARO O=C(Nc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000007000388 570734312 /nfs/dbraw/zinc/73/43/12/570734312.db2.gz SZRGWDZPGMWXCA-UHFFFAOYSA-N 1 0 380.879 4.245 50 0 GIAARO COC(=O)c1c(-c2ccccc2)csc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000000948802 570735204 /nfs/dbraw/zinc/73/52/04/570735204.db2.gz QMTYBTOUVUNCJK-UHFFFAOYSA-N 1 0 386.517 4.262 50 0 GIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000012980747 570735917 /nfs/dbraw/zinc/73/59/17/570735917.db2.gz AVLMNPQVDASEFO-QFIPXVFZSA-N 1 0 398.503 4.268 50 0 GIAARO CCc1noc(-c2cccnc2N2CCC[N@H+](Cc3ccccc3Cl)CC2)n1 ZINC000065257903 570758974 /nfs/dbraw/zinc/75/89/74/570758974.db2.gz LOKIKPPMVLBEGQ-UHFFFAOYSA-N 1 0 397.910 4.060 50 0 GIAARO C[NH+]1CCC(OCCCn2cnc(-c3ccccc3)c2-c2ccncc2)CC1 ZINC000065385533 570764014 /nfs/dbraw/zinc/76/40/14/570764014.db2.gz WTLCEHXOBACJGG-UHFFFAOYSA-N 1 0 376.504 4.113 50 0 GIAARO C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(-n2ccnc2)cc1 ZINC000007050215 570764724 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COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1F ZINC000032736353 570788879 /nfs/dbraw/zinc/78/88/79/570788879.db2.gz WCIFVRKCWZUOBV-QGZVFWFLSA-N 1 0 376.497 4.099 50 0 GIAARO Cc1cc(-c2c(-c3ccccc3)ncn2C[C@H](c2ccc(C)o2)[NH+](C)C)n[nH]1 ZINC000067840425 570793543 /nfs/dbraw/zinc/79/35/43/570793543.db2.gz APLGSAQRHMRYDM-LJQANCHMSA-N 1 0 375.476 4.453 50 0 GIAARO COc1ccc([C@H](CNC(=O)[C@@H]2CCCc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000032759021 570798078 /nfs/dbraw/zinc/79/80/78/570798078.db2.gz PAVHRJCDVRXTBY-RPWUZVMVSA-N 1 0 392.543 4.459 50 0 GIAARO COc1ccc(C[C@H](C(=O)OC2C[C@H](C)[NH+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000004492144 570809612 /nfs/dbraw/zinc/80/96/12/570809612.db2.gz GNHPJGJHBNDLTI-BSRJHKFKSA-N 1 0 381.516 4.436 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000007268350 570822554 /nfs/dbraw/zinc/82/25/54/570822554.db2.gz GCMWXDZCKUQPKX-UHFFFAOYSA-N 1 0 392.330 4.317 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc(-c2ccccc2)n1 ZINC000012517546 570826668 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378.564 4.123 50 0 GIAARO CCCOc1ccccc1[C@@H](C)Nc1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072166419 570876327 /nfs/dbraw/zinc/87/63/27/570876327.db2.gz NKWAEIORTQCYGP-OAHLLOKOSA-N 1 0 375.476 4.104 50 0 GIAARO CC(C)c1nc(N2CC[C@@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)no1 ZINC000072168087 570876694 /nfs/dbraw/zinc/87/66/94/570876694.db2.gz OXFWNNHQCAQTSF-MRXNPFEDSA-N 1 0 390.478 4.210 50 0 GIAARO Cc1nnsc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012583559 570880438 /nfs/dbraw/zinc/88/04/38/570880438.db2.gz KSPHAFBKZWHMDB-JOCHJYFZSA-N 1 0 398.576 4.098 50 0 GIAARO C[C@@H](c1ccc(-c2cccc(OCCn3ccnc3)c2)cc1)[NH+]1CCOCC1 ZINC000534589516 570905650 /nfs/dbraw/zinc/90/56/50/570905650.db2.gz PWCXUFNUBARIKC-IBGZPJMESA-N 1 0 377.488 4.022 50 0 GIAARO Cc1occc1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000032912912 570918406 /nfs/dbraw/zinc/91/84/06/570918406.db2.gz QFBXDQDPTFMAMI-UHFFFAOYSA-N 1 0 389.499 4.158 50 0 GIAARO CC(C)c1noc(CCCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000046934924 570937586 /nfs/dbraw/zinc/93/75/86/570937586.db2.gz OKJYYGWJQIPLPX-SFHVURJKSA-N 1 0 398.551 4.207 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc(F)ccc2Br)C1 ZINC000047039197 570939087 /nfs/dbraw/zinc/93/90/87/570939087.db2.gz FJQFNBYMQRKFGT-ZIAGYGMSSA-N 1 0 385.321 4.076 50 0 GIAARO C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)C1 ZINC000032932847 570945581 /nfs/dbraw/zinc/94/55/81/570945581.db2.gz KIIMRDIOGUSLAO-OAHLLOKOSA-N 1 0 378.925 4.373 50 0 GIAARO Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@H]2c2nc3ccccc3n2C)cc1C ZINC000106924919 570968569 /nfs/dbraw/zinc/96/85/69/570968569.db2.gz WEOLPFANNLLOBN-GCJKJVERSA-N 1 0 390.531 4.204 50 0 GIAARO COc1ccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1Cl ZINC000033312178 570970903 /nfs/dbraw/zinc/97/09/03/570970903.db2.gz GWCZNDGBOSZAFJ-OAHLLOKOSA-N 1 0 379.932 4.324 50 0 GIAARO O=C(c1cc(-c2cccc3ccccc32)n[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000044838746 570979254 /nfs/dbraw/zinc/97/92/54/570979254.db2.gz XZKQXJUMLDNOHH-UHFFFAOYSA-N 1 0 388.515 4.320 50 0 GIAARO C[C@@H](Sc1ccccn1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000170657600 571000570 /nfs/dbraw/zinc/00/05/70/571000570.db2.gz URHIZMLCTGUNDV-GOSISDBHSA-N 1 0 383.561 4.111 50 0 GIAARO [NH3+]CC1(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CCCC1 ZINC000170676968 571009066 /nfs/dbraw/zinc/00/90/66/571009066.db2.gz ZKACWXBGHCNXMZ-UHFFFAOYSA-N 1 0 380.275 4.182 50 0 GIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000091893313 571035232 /nfs/dbraw/zinc/03/52/32/571035232.db2.gz WNJBNSSJRSRCLT-FQEVSTJZSA-N 1 0 378.516 4.124 50 0 GIAARO CCn1c(C)[n+](-c2ccccc2)c2ccc(S(=O)(=O)Nc3ccccc3)cc21 ZINC000001225200 817375377 /nfs/dbraw/zinc/37/53/77/817375377.db2.gz OBZDUBJWLZVQAV-UHFFFAOYSA-N 1 0 392.504 4.047 50 0 GIAARO CC[NH+](CC)CCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000003049160 817414947 /nfs/dbraw/zinc/41/49/47/817414947.db2.gz HGZACZNKHMHWIS-UHFFFAOYSA-N 1 0 399.560 4.176 50 0 GIAARO COc1ccc(Cl)cc1NC(=S)N1CCC([N@H+](C)C2CCCC2)CC1 ZINC000003058443 817416179 /nfs/dbraw/zinc/41/61/79/817416179.db2.gz WKKSBUGQLOMYGC-UHFFFAOYSA-N 1 0 381.973 4.384 50 0 GIAARO COc1cccc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000003058555 817416280 /nfs/dbraw/zinc/41/62/80/817416280.db2.gz FOGLTNKIXDBLGA-OXQOHEQNSA-N 1 0 375.582 4.367 50 0 GIAARO C[C@H](NC(=O)c1ccccc1Br)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211565 817422026 /nfs/dbraw/zinc/42/20/26/817422026.db2.gz ASTNGCCWOFJSOJ-SUMWQHHRSA-N 1 0 393.350 4.466 50 0 GIAARO O[C@@H](COc1ccc(F)cc1Cl)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003242525 817426958 /nfs/dbraw/zinc/42/69/58/817426958.db2.gz OLUMAWOALAGELM-LJQANCHMSA-N 1 0 377.887 4.174 50 0 GIAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]([NH2+]C)c1ccccc1 ZINC000057396076 823289995 /nfs/dbraw/zinc/28/99/95/823289995.db2.gz ZOYLEGWDKPTTCI-IBGZPJMESA-N 1 0 394.496 4.491 50 0 GIAARO COc1cc(SC)ccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007849960 817937188 /nfs/dbraw/zinc/93/71/88/817937188.db2.gz FPACYEVTYGWIDH-UHFFFAOYSA-N 1 0 384.545 4.333 50 0 GIAARO CCC[NH+]1CCC(N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000011663000 818106765 /nfs/dbraw/zinc/10/67/65/818106765.db2.gz FYVJTLWNCWLZCQ-NRFANRHFSA-N 1 0 384.543 4.489 50 0 GIAARO COCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)s1 ZINC000011700459 818110183 /nfs/dbraw/zinc/11/01/83/818110183.db2.gz YSTGCMKGEHYLSZ-QHCPKHFHSA-N 1 0 398.572 4.065 50 0 GIAARO O=C(c1ccccc1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012303825 818153683 /nfs/dbraw/zinc/15/36/83/818153683.db2.gz WGXVTQVIKWBYMV-UHFFFAOYSA-N 1 0 377.532 4.379 50 0 GIAARO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012444651 818160139 /nfs/dbraw/zinc/16/01/39/818160139.db2.gz MEFBLEYOTYGHOM-HXUWFJFHSA-N 1 0 389.952 4.175 50 0 GIAARO CC(=O)CCC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000012476989 818163177 /nfs/dbraw/zinc/16/31/77/818163177.db2.gz HQNGIFOZSDTZPC-UHFFFAOYSA-N 1 0 398.591 4.390 50 0 GIAARO CCCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1C ZINC000013595451 818213925 /nfs/dbraw/zinc/21/39/25/818213925.db2.gz TXMPMEQLXDHGQS-FQEVSTJZSA-N 1 0 383.536 4.484 50 0 GIAARO Cn1cc(C[NH+]2CCC(CO)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000013637192 818215088 /nfs/dbraw/zinc/21/50/88/818215088.db2.gz WVBAFMGRABCTJQ-UHFFFAOYSA-N 1 0 377.488 4.084 50 0 GIAARO C[N@H+](Cc1nccs1)[C@H]1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 ZINC000014879682 818273908 /nfs/dbraw/zinc/27/39/08/818273908.db2.gz FZQBYFYJYVHCMI-FQEVSTJZSA-N 1 0 379.529 4.309 50 0 GIAARO Cc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014959242 818279197 /nfs/dbraw/zinc/27/91/97/818279197.db2.gz PLVBUWMPMYZDOS-XMMPIXPASA-N 1 0 378.564 4.397 50 0 GIAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)c1 ZINC000015078323 818288224 /nfs/dbraw/zinc/28/82/24/818288224.db2.gz DEYGXKYVGMOGQL-RUZDIDTESA-N 1 0 389.543 4.388 50 0 GIAARO O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3s2)C1 ZINC000020600078 818626466 /nfs/dbraw/zinc/62/64/66/818626466.db2.gz WIXSBHAUEBDPPM-CTNGQTDRSA-N 1 0 398.572 4.141 50 0 GIAARO O=c1cc(C2CCC2)nc(-c2cccc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)c2)[nH]1 ZINC000023398781 818933753 /nfs/dbraw/zinc/93/37/53/818933753.db2.gz FKXHHLBTZFHYRI-QGZVFWFLSA-N 1 0 391.437 4.479 50 0 GIAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)C1c2ccccc2Oc2ccccc21 ZINC000031338027 820795289 /nfs/dbraw/zinc/79/52/89/820795289.db2.gz LBWZBQAXLLAZJS-UHFFFAOYSA-N 1 0 384.479 4.099 50 0 GIAARO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000040002598 821124704 /nfs/dbraw/zinc/12/47/04/821124704.db2.gz SMRRDNWVGJSIGV-KGLIPLIRSA-N 1 0 391.309 4.444 50 0 GIAARO COc1cccc([C@@H](CNC(=O)c2ccc(SC(F)F)cc2)[NH+](C)C)c1 ZINC000040047272 821127990 /nfs/dbraw/zinc/12/79/90/821127990.db2.gz QLUZLUBRCVCMKY-QGZVFWFLSA-N 1 0 380.460 4.043 50 0 GIAARO O=C(C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)NCCCc1ccccc1 ZINC000040135394 821146458 /nfs/dbraw/zinc/14/64/58/821146458.db2.gz UGOFCYAQTNCDBG-OAQYLSRUSA-N 1 0 375.516 4.096 50 0 GIAARO COc1ccc(-n2c3ccc4ccccc4c3n[n+]2-c2ccc(OC)cc2)cc1 ZINC000048546790 822671215 /nfs/dbraw/zinc/67/12/15/822671215.db2.gz KSNZZNRQSXYYRR-UHFFFAOYSA-N 1 0 382.443 4.473 50 0 GIAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)c1 ZINC000055120045 822939724 /nfs/dbraw/zinc/93/97/24/822939724.db2.gz OEZZBJFYPXYSNW-QGZVFWFLSA-N 1 0 379.591 4.217 50 0 GIAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)cc1F ZINC000055183008 822944135 /nfs/dbraw/zinc/94/41/35/822944135.db2.gz CBVAAAFWOWRKCG-OAHLLOKOSA-N 1 0 378.492 4.098 50 0 GIAARO CC(=O)Nc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cc1 ZINC000055226582 822946949 /nfs/dbraw/zinc/94/69/49/822946949.db2.gz HIXGEQYBXFJUQN-RUZDIDTESA-N 1 0 391.559 4.176 50 0 GIAARO O=C(c1ccccc1OC[C@H]1CCC[N@H+](Cc2ccsc2)C1)N1CCCC1 ZINC000169765168 823913961 /nfs/dbraw/zinc/91/39/61/823913961.db2.gz QABKVIYMRXARJI-SFHVURJKSA-N 1 0 384.545 4.275 50 0 GIAARO COc1ccc2[nH]c(C(=O)N3CC[C@H](Cn4c(C)c[nH+]c4C4CCC4)C3)cc2c1 ZINC000575560362 823977643 /nfs/dbraw/zinc/97/76/43/823977643.db2.gz VQJLWOIZLALLLV-INIZCTEOSA-N 1 0 392.503 4.111 50 0 GIAARO COc1ccc2[nH]c(C(=O)N3CC[C@@H](Cn4c(C)c[nH+]c4C4CCC4)C3)cc2c1 ZINC000575560367 823977795 /nfs/dbraw/zinc/97/77/95/823977795.db2.gz VQJLWOIZLALLLV-MRXNPFEDSA-N 1 0 392.503 4.111 50 0 GIAARO CN(Cc1cccc(O)c1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426546242 529994940 /nfs/dbraw/zinc/99/49/40/529994940.db2.gz RTQMZFFPBLQIDW-QFIPXVFZSA-N 1 0 381.520 4.151 50 0 GIAARO CN(Cc1ccc2ncccc2c1)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000426494297 529992093 /nfs/dbraw/zinc/99/20/93/529992093.db2.gz CQOOERSIRGXGFE-UHFFFAOYSA-N 1 0 380.536 4.031 50 0 GIAARO CSc1ncc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)cn1 ZINC000055252410 209112540 /nfs/dbraw/zinc/11/25/40/209112540.db2.gz ZVMAYPMBFLQMRZ-IBGZPJMESA-N 1 0 379.533 4.168 50 0 GIAARO O=C(N[C@H]1CCc2ccccc21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000229729933 206260315 /nfs/dbraw/zinc/26/03/15/206260315.db2.gz XSBXZBORHPOUBY-PZJWPPBQSA-N 1 0 388.433 4.245 50 0 GIAARO O[C@@H](c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000000897085 206331511 /nfs/dbraw/zinc/33/15/11/206331511.db2.gz XEEQGYMUWCZPDN-DOMZBBRYSA-N 1 0 378.316 4.448 50 0 fda GIAARO CC(C)(C)[NH2+]CC(=O)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2 ZINC000000755160 206320514 /nfs/dbraw/zinc/32/05/14/206320514.db2.gz BTYNWOQQVVBKAQ-UHFFFAOYSA-N 1 0 388.515 4.124 50 0 GIAARO Cn1c2ccccc2nc1CNc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000000814088 206323572 /nfs/dbraw/zinc/32/35/72/206323572.db2.gz PZYSBTMCYYXBLI-UHFFFAOYSA-N 1 0 388.519 4.021 50 0 GIAARO CCOc1ccc(C[NH+]2CCC(C(=O)N(CC)Cc3ccccc3)CC2)cc1 ZINC000000819283 206324214 /nfs/dbraw/zinc/32/42/14/206324214.db2.gz WERJHGHWAYRKCZ-UHFFFAOYSA-N 1 0 380.532 4.346 50 0 GIAARO CCOc1ccc(-c2c[nH+]c(NCc3cc(OC)c(OC)c(OC)c3)n2C)cc1 ZINC000000819169 206324326 /nfs/dbraw/zinc/32/43/26/206324326.db2.gz GIKZPLUCFMSTOC-UHFFFAOYSA-N 1 0 397.475 4.124 50 0 GIAARO COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)cc1 ZINC000000934758 206334413 /nfs/dbraw/zinc/33/44/13/206334413.db2.gz VPRJBJBOZANNAB-FQEVSTJZSA-N 1 0 397.906 4.314 50 0 GIAARO Brc1ccc(-c2nnc3sc(C[NH2+]C4CCCC4)cn32)cc1 ZINC000002467108 206419069 /nfs/dbraw/zinc/41/90/69/206419069.db2.gz XINUXXZHZOFABN-UHFFFAOYSA-N 1 0 377.311 4.253 50 0 aggregator GIAARO C[C@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000002934072 206447396 /nfs/dbraw/zinc/44/73/96/206447396.db2.gz MJKZPYFFTIHZFA-CQSZACIVSA-N 1 0 396.482 4.422 50 0 GIAARO Cc1cccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(Br)cc3)C2)c1 ZINC000004086839 206501366 /nfs/dbraw/zinc/50/13/66/206501366.db2.gz CGTFXLGAGQUUDZ-FQEVSTJZSA-N 1 0 386.313 4.018 50 0 GIAARO CCOc1cc(C[NH2+]C2CCC(C)CC2)ccc1OCC(=O)NC(C)(C)C ZINC000004868625 206563720 /nfs/dbraw/zinc/56/37/20/206563720.db2.gz BFKIHJOBSCZTFQ-UHFFFAOYSA-N 1 0 376.541 4.047 50 0 GIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccc(F)cc1Cl ZINC000004998062 206580974 /nfs/dbraw/zinc/58/09/74/206580974.db2.gz SWHKTNRHWQQQAE-QGZVFWFLSA-N 1 0 379.859 4.335 50 0 GIAARO CC1CC[NH+](CCc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1 ZINC000005824510 206629294 /nfs/dbraw/zinc/62/92/94/206629294.db2.gz RXHGKIZJMNLKGV-UHFFFAOYSA-N 1 0 382.552 4.367 50 0 GIAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000011840793 206835359 /nfs/dbraw/zinc/83/53/59/206835359.db2.gz KYQHDWBVZXYREI-XMMPIXPASA-N 1 0 379.500 4.277 50 0 GIAARO COCCC[NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000012576273 206916446 /nfs/dbraw/zinc/91/64/46/206916446.db2.gz QHIDZQLEPZIKFF-UHFFFAOYSA-N 1 0 385.895 4.327 50 0 GIAARO O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000014528514 207022062 /nfs/dbraw/zinc/02/20/62/207022062.db2.gz LOFCGXYUCTZDDV-UHFFFAOYSA-N 1 0 376.500 4.060 50 0 GIAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1=O ZINC000014745571 207028580 /nfs/dbraw/zinc/02/85/80/207028580.db2.gz JVQHIXJMRYFSGV-UHFFFAOYSA-N 1 0 391.943 4.005 50 0 GIAARO CC[N@@H+](Cc1cccc2nonc21)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000014967316 207034770 /nfs/dbraw/zinc/03/47/70/207034770.db2.gz JCCVJOBEIRLUBF-LJQANCHMSA-N 1 0 396.510 4.139 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977752 207037267 /nfs/dbraw/zinc/03/72/67/207037267.db2.gz ITZLAMGWMWFIRL-IBGZPJMESA-N 1 0 388.502 4.360 50 0 GIAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981489 207038303 /nfs/dbraw/zinc/03/83/03/207038303.db2.gz MKRQXDJUTDXHHF-QHCPKHFHSA-N 1 0 384.520 4.093 50 0 GIAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)c1 ZINC000014986475 207039492 /nfs/dbraw/zinc/03/94/92/207039492.db2.gz COUWCGVTYWITPG-LJQANCHMSA-N 1 0 375.472 4.493 50 0 GIAARO CC(C)NC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1C1Cc2ccccc2C1 ZINC000014999659 207039857 /nfs/dbraw/zinc/03/98/57/207039857.db2.gz VMPDTRPFXPCOFJ-YADHBBJMSA-N 1 0 398.547 4.053 50 0 GIAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccs1 ZINC000015077041 207045942 /nfs/dbraw/zinc/04/59/42/207045942.db2.gz NVXJFVZAIJHIDG-HNNXBMFYSA-N 1 0 382.451 4.409 50 0 GIAARO CCCn1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074395 207047108 /nfs/dbraw/zinc/04/71/08/207047108.db2.gz BZXVWNFOSISHOX-FQEVSTJZSA-N 1 0 386.559 4.127 50 0 GIAARO CCc1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)o1 ZINC000015065287 207042154 /nfs/dbraw/zinc/04/21/54/207042154.db2.gz BTMRWDFTQKUIIR-UHFFFAOYSA-N 1 0 382.504 4.121 50 0 GIAARO Cc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015727027 207056835 /nfs/dbraw/zinc/05/68/35/207056835.db2.gz XMGGVIRICHZIBM-UHFFFAOYSA-N 1 0 396.441 4.178 50 0 GIAARO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000015350768 207050317 /nfs/dbraw/zinc/05/03/17/207050317.db2.gz AVLULMFXAXTXNV-MBSDFSHPSA-N 1 0 391.515 4.247 50 0 GIAARO O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000015961801 207068840 /nfs/dbraw/zinc/06/88/40/207068840.db2.gz WGTJRKGDOHMTBK-QGZVFWFLSA-N 1 0 386.455 4.313 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc(F)c1 ZINC000017794499 207091315 /nfs/dbraw/zinc/09/13/15/207091315.db2.gz QEQKEYXTDHGOLV-QHCPKHFHSA-N 1 0 376.475 4.454 50 0 GIAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)c(C)o1 ZINC000019111959 207102918 /nfs/dbraw/zinc/10/29/18/207102918.db2.gz XVISCZZQDSZHCO-GOSISDBHSA-N 1 0 399.535 4.129 50 0 GIAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)CC1 ZINC000019740920 207157087 /nfs/dbraw/zinc/15/70/87/207157087.db2.gz UKEAKKWVVWWOMX-HXUWFJFHSA-N 1 0 392.522 4.094 50 0 GIAARO COC(=O)c1ccc2c(c1)[N+](C)=C(/C=C/c1ccc(OC)cc1OC)C2(C)C ZINC000020070415 207175636 /nfs/dbraw/zinc/17/56/36/207175636.db2.gz FBKAETNWSDWYRX-FMIVXFBMSA-N 1 0 380.464 4.210 50 0 GIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)C4CCCCC4)ccc3n2)CC1 ZINC000020108657 207178068 /nfs/dbraw/zinc/17/80/68/207178068.db2.gz UCWFLSVKEQQBSQ-UHFFFAOYSA-N 1 0 380.536 4.204 50 0 GIAARO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)c1C ZINC000019908922 207170642 /nfs/dbraw/zinc/17/06/42/207170642.db2.gz YSSLSXOLYWOORO-QHCPKHFHSA-N 1 0 390.527 4.019 50 0 GIAARO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)c1C ZINC000019908919 207170791 /nfs/dbraw/zinc/17/07/91/207170791.db2.gz YSSLSXOLYWOORO-HSZRJFAPSA-N 1 0 390.527 4.019 50 0 GIAARO Cn1c2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019952005 207172566 /nfs/dbraw/zinc/17/25/66/207172566.db2.gz XRVYVLMFVYFIAP-UHFFFAOYSA-N 1 0 382.511 4.485 50 0 GIAARO c1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)CC2)cc1 ZINC000020204767 207183071 /nfs/dbraw/zinc/18/30/71/207183071.db2.gz DFANKQKBGLXRFS-DEOSSOPVSA-N 1 0 386.543 4.021 50 0 GIAARO C[C@@H]1C[NH+](CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000020365362 207189864 /nfs/dbraw/zinc/18/98/64/207189864.db2.gz LQMSRCXMPDAAPQ-HUUCEWRRSA-N 1 0 380.315 4.339 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)cc1 ZINC000020453897 207194484 /nfs/dbraw/zinc/19/44/84/207194484.db2.gz KKBFCPBYPNDSRB-OAQYLSRUSA-N 1 0 389.499 4.167 50 0 GIAARO OCC[C@@H]1C[N@H+](Cc2ccccc2-c2ccco2)CCN1Cc1ccsc1 ZINC000020538786 207201591 /nfs/dbraw/zinc/20/15/91/207201591.db2.gz RQHUOWKEBMZIDT-HXUWFJFHSA-N 1 0 382.529 4.077 50 0 GIAARO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)o1 ZINC000020542221 207203090 /nfs/dbraw/zinc/20/30/90/207203090.db2.gz NWDCSMDOJGYFDY-SFHVURJKSA-N 1 0 382.533 4.388 50 0 GIAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574499 207203987 /nfs/dbraw/zinc/20/39/87/207203987.db2.gz OXFIEPRVTUOTDN-GJZGRUSLSA-N 1 0 383.471 4.489 50 0 GIAARO Cc1cccc(NC(=O)CCC2CC[NH+](C3CSCCSC3)CC2)c1 ZINC000020598793 207204479 /nfs/dbraw/zinc/20/44/79/207204479.db2.gz WCYNJEALKGVNLJ-UHFFFAOYSA-N 1 0 378.607 4.274 50 0 GIAARO Clc1ccccc1C[N@@H+]1CCC[C@H](c2nc3c4ccccc4ncn3n2)C1 ZINC000020613921 207207835 /nfs/dbraw/zinc/20/78/35/207207835.db2.gz XDSCYXYUXQYNAV-INIZCTEOSA-N 1 0 377.879 4.311 50 0 GIAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C(C)(C)CO)cc1 ZINC000020874552 207216470 /nfs/dbraw/zinc/21/64/70/207216470.db2.gz KZJTZYJAOWXBKQ-UHFFFAOYSA-N 1 0 378.310 4.197 50 0 GIAARO CCOc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccccc2C)CC1 ZINC000020889672 207217698 /nfs/dbraw/zinc/21/76/98/207217698.db2.gz IFQXWLYATLUCHB-UHFFFAOYSA-N 1 0 381.520 4.427 50 0 GIAARO Cc1ccccc1-c1cccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)c1 ZINC000020920474 207219330 /nfs/dbraw/zinc/21/93/30/207219330.db2.gz SGJHOCWINAWNOD-JOCHJYFZSA-N 1 0 388.515 4.163 50 0 GIAARO O=C(c1nc2sccn2c1C[N@@H+]1CCC[C@H](c2ccccc2)C1)N1CCCC1 ZINC000020915076 207219405 /nfs/dbraw/zinc/21/94/05/207219405.db2.gz LEWSJZVQZZGTJO-SFHVURJKSA-N 1 0 394.544 4.011 50 0 GIAARO CC(C)(C)C[N@@H+]1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020905677 207219642 /nfs/dbraw/zinc/21/96/42/207219642.db2.gz NPGDDFPJXYSQQW-IBGZPJMESA-N 1 0 383.502 4.338 50 0 GIAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)CC1 ZINC000020706474 207210069 /nfs/dbraw/zinc/21/00/69/207210069.db2.gz JOEBNFCEYXLABM-HXUWFJFHSA-N 1 0 380.507 4.482 50 0 GIAARO Cc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1C ZINC000020927157 207221626 /nfs/dbraw/zinc/22/16/26/207221626.db2.gz AASZBUAWWFEBLO-UHFFFAOYSA-N 1 0 394.544 4.465 50 0 GIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000021584795 207232023 /nfs/dbraw/zinc/23/20/23/207232023.db2.gz MQHZSNQTXZXYDX-IBGZPJMESA-N 1 0 383.879 4.084 50 0 GIAARO COc1cccc(-c2noc(NCC3CC[NH+](Cc4ccc(C)cc4)CC3)n2)c1 ZINC000021631254 207233124 /nfs/dbraw/zinc/23/31/24/207233124.db2.gz FARKHDKYDUYENQ-UHFFFAOYSA-N 1 0 392.503 4.378 50 0 GIAARO COc1ccc(OC)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c1 ZINC000021720045 207236911 /nfs/dbraw/zinc/23/69/11/207236911.db2.gz MGPPOPRZKCBBIZ-GOSISDBHSA-N 1 0 382.464 4.036 50 0 GIAARO Cc1cc(NCC[NH+](C)C)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021790503 207237534 /nfs/dbraw/zinc/23/75/34/207237534.db2.gz IADNMKBBOHYCQW-UHFFFAOYSA-N 1 0 397.832 4.350 50 0 GIAARO CCOc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022076893 207247370 /nfs/dbraw/zinc/24/73/70/207247370.db2.gz CTFXBBBNKHXGGU-QFIPXVFZSA-N 1 0 377.484 4.488 50 0 GIAARO CSc1ccccc1NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000022198052 207247671 /nfs/dbraw/zinc/24/76/71/207247671.db2.gz UIBNOKBWFSNPLI-UHFFFAOYSA-N 1 0 389.952 4.213 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cccnc1Sc1ccccc1)c1ccccc1 ZINC000022505678 207255255 /nfs/dbraw/zinc/25/52/55/207255255.db2.gz ADQIXGOJDUMMDV-FQEVSTJZSA-N 1 0 377.513 4.266 50 0 GIAARO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1C ZINC000022608841 207257011 /nfs/dbraw/zinc/25/70/11/207257011.db2.gz GAWOOJFMODZAJI-DEOSSOPVSA-N 1 0 390.527 4.019 50 0 GIAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000023257832 207272091 /nfs/dbraw/zinc/27/20/91/207272091.db2.gz JSKJSVDGSRABIH-KRWDZBQOSA-N 1 0 380.989 4.489 50 0 GIAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1cccc2ccccc21 ZINC000023362375 207274779 /nfs/dbraw/zinc/27/47/79/207274779.db2.gz BWUHWZWNQPSFRJ-VWNXMTODSA-N 1 0 393.575 4.231 50 0 GIAARO Clc1ccc(CN2CCC[C@H]([NH2+]C3CCN(Cc4ccco4)CC3)C2)cc1 ZINC000023374068 207276556 /nfs/dbraw/zinc/27/65/56/207276556.db2.gz CIXGHXUXIADCEC-NRFANRHFSA-N 1 0 387.955 4.152 50 0 GIAARO C[C@H](O)c1cn(C2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)nn1 ZINC000023581775 207279941 /nfs/dbraw/zinc/27/99/41/207279941.db2.gz ZJHDLTHRFMQNIC-LBPRGKRZSA-N 1 0 376.913 4.037 50 0 GIAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000025196732 207301589 /nfs/dbraw/zinc/30/15/89/207301589.db2.gz DKURIAAAEGMTMA-QFIPXVFZSA-N 1 0 396.575 4.297 50 0 GIAARO Cc1nc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000012386891 207305787 /nfs/dbraw/zinc/30/57/87/207305787.db2.gz DASMNBVKFJTMST-QGZVFWFLSA-N 1 0 391.968 4.132 50 0 GIAARO Clc1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc2c1OCCCO2 ZINC000026308094 207311650 /nfs/dbraw/zinc/31/16/50/207311650.db2.gz OGUSALAZAXEFAM-KRWDZBQOSA-N 1 0 376.884 4.021 50 0 GIAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000026311009 207311867 /nfs/dbraw/zinc/31/18/67/207311867.db2.gz WHHBAYGQARTJCG-HNNXBMFYSA-N 1 0 380.941 4.221 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027584477 207327296 /nfs/dbraw/zinc/32/72/96/207327296.db2.gz YWQFTEVLWWUEFJ-HSZRJFAPSA-N 1 0 380.532 4.416 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)[NH+]2CCCCC2)cc1 ZINC000027581777 207327633 /nfs/dbraw/zinc/32/76/33/207327633.db2.gz BPKGEFFLJOAYDA-MRXNPFEDSA-N 1 0 391.309 4.308 50 0 GIAARO CCc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662493 207328524 /nfs/dbraw/zinc/32/85/24/207328524.db2.gz HQRCBYJNJFRCAS-HXUWFJFHSA-N 1 0 386.561 4.423 50 0 GIAARO COc1c(Cl)cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1Cl ZINC000027593458 207329131 /nfs/dbraw/zinc/32/91/31/207329131.db2.gz UAMLAPZISSTBLH-MRXNPFEDSA-N 1 0 385.266 4.174 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccccc1 ZINC000028292681 207338701 /nfs/dbraw/zinc/33/87/01/207338701.db2.gz QQNKHEQNUVRSAX-GOSISDBHSA-N 1 0 398.890 4.259 50 0 GIAARO Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)oc2c1 ZINC000028291760 207339611 /nfs/dbraw/zinc/33/96/11/207339611.db2.gz VPIHOXFXGDZXMI-FQEVSTJZSA-N 1 0 390.483 4.058 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1C ZINC000028291539 207340023 /nfs/dbraw/zinc/34/00/23/207340023.db2.gz CGELTJBAFCBDFH-FQEVSTJZSA-N 1 0 386.561 4.333 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000040112654 207340634 /nfs/dbraw/zinc/34/06/34/207340634.db2.gz YHSVRUJIDHFMJO-SFHVURJKSA-N 1 0 380.536 4.134 50 0 GIAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)C[C@@H](C)c3ccccc3)CC2)c1 ZINC000032068376 207387844 /nfs/dbraw/zinc/38/78/44/207387844.db2.gz JCNOXVZWWTYVHV-JOCHJYFZSA-N 1 0 393.575 4.207 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)ccc1Br)c1ccsc1 ZINC000031985977 207389657 /nfs/dbraw/zinc/38/96/57/207389657.db2.gz DQYOGPPJDIBODC-MRXNPFEDSA-N 1 0 399.329 4.463 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)CSc1ccncc1)c1ccccc1Cl ZINC000032316054 207394780 /nfs/dbraw/zinc/39/47/80/207394780.db2.gz DBTAQADJKKKIDI-SFHVURJKSA-N 1 0 377.941 4.026 50 0 GIAARO COc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)cc1OC ZINC000034683244 207467782 /nfs/dbraw/zinc/46/77/82/207467782.db2.gz WPFNMEDJAVNZRJ-UHFFFAOYSA-N 1 0 396.531 4.338 50 0 GIAARO C[C@@H](OC[C@H](O)C[NH2+]Cc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000058160596 207764681 /nfs/dbraw/zinc/76/46/81/207764681.db2.gz GNEPNPIGKRSFBF-CZUORRHYSA-N 1 0 376.909 4.178 50 0 GIAARO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000057449351 207751912 /nfs/dbraw/zinc/75/19/12/207751912.db2.gz LZEZOGLVKMNPGG-QGZVFWFLSA-N 1 0 390.483 4.410 50 0 GIAARO Cc1ccsc1C[NH2+][C@@H]1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)C1 ZINC000065256977 207854906 /nfs/dbraw/zinc/85/49/06/207854906.db2.gz YIDFTRASBNELAU-LJQANCHMSA-N 1 0 392.528 4.072 50 0 GIAARO Cc1cc(C[NH+]2CCCC2)ccc1Oc1ccc(C(=O)N2CCCCC2)cn1 ZINC000067726046 207903258 /nfs/dbraw/zinc/90/32/58/207903258.db2.gz IMALJRFTOFIWEY-UHFFFAOYSA-N 1 0 379.504 4.404 50 0 GIAARO COc1cc(C(=O)NCC(C)(C)C[NH+](C)C)cc(Cl)c1OCCC(C)C ZINC000069043333 207921836 /nfs/dbraw/zinc/92/18/36/207921836.db2.gz NEAXXIJEJJELFE-UHFFFAOYSA-N 1 0 384.948 4.091 50 0 GIAARO C[C@H]1CN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC[N@@H+]1C ZINC000072419946 208018582 /nfs/dbraw/zinc/01/85/82/208018582.db2.gz WEHTVMPGMKJMFE-INIZCTEOSA-N 1 0 398.913 4.468 50 0 GIAARO Cn1cc(C[N@H+](C)CC2(CO)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072410617 208019798 /nfs/dbraw/zinc/01/97/98/208019798.db2.gz DDDUNYBCZONJTB-UHFFFAOYSA-N 1 0 377.488 4.084 50 0 GIAARO CC[NH+]1CCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 ZINC000072421768 208020505 /nfs/dbraw/zinc/02/05/05/208020505.db2.gz ITXSIERPRLTJRF-UHFFFAOYSA-N 1 0 398.913 4.469 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@H](O)C2)cc1OC ZINC000072425434 208022431 /nfs/dbraw/zinc/02/24/31/208022431.db2.gz LDOQQFWGMWFACV-FQEVSTJZSA-N 1 0 392.499 4.184 50 0 GIAARO COc1ccc(-n2cc(C[N@@H+]3CCC[C@H](O)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072423322 208022585 /nfs/dbraw/zinc/02/25/85/208022585.db2.gz SKZLTZWMMLFBAL-SFHVURJKSA-N 1 0 397.906 4.158 50 0 GIAARO Cc1cccc(-n2cc(C[N@@H+](C)CC(C)(C)CO)c(-c3cccc(F)c3)n2)c1 ZINC000072470621 208029687 /nfs/dbraw/zinc/02/96/87/208029687.db2.gz RPUCKVIKGJLQHA-UHFFFAOYSA-N 1 0 381.495 4.437 50 0 GIAARO CCC[C@H](C)N1CC2(CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)OC1=O ZINC000072473454 208030389 /nfs/dbraw/zinc/03/03/89/208030389.db2.gz ULPMGIJIAPYUOK-KRWDZBQOSA-N 1 0 383.492 4.317 50 0 GIAARO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc3cccc(C)c3nc2-c2cccs2)C1 ZINC000072475513 208031661 /nfs/dbraw/zinc/03/16/61/208031661.db2.gz ZSISHBJSHVQLAI-QGZVFWFLSA-N 1 0 379.529 4.230 50 0 GIAARO Cc1ccc(-n2cc(CN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072480041 208033375 /nfs/dbraw/zinc/03/33/75/208033375.db2.gz DSFPUIOZUCJPMG-SZPZYZBQSA-N 1 0 386.543 4.150 50 0 GIAARO Cc1ccc(-n2cc(CN3CC[N@@H+]4CCC[C@@H]4C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072478800 208033684 /nfs/dbraw/zinc/03/36/84/208033684.db2.gz YDWDHCHUQIVPJL-XMMPIXPASA-N 1 0 386.543 4.436 50 0 GIAARO CSc1ccccc1C[NH+]1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091526873 208123906 /nfs/dbraw/zinc/12/39/06/208123906.db2.gz XKCRFOGMDFKYIY-UHFFFAOYSA-N 1 0 395.572 4.208 50 0 GIAARO O=C1[C@H](c2ccccc2)CC2(CC[NH+](CCc3ccccc3)CC2)CN1C1CC1 ZINC000091651340 208130184 /nfs/dbraw/zinc/13/01/84/208130184.db2.gz WVUGFDQJCDUFHX-DEOSSOPVSA-N 1 0 388.555 4.490 50 0 GIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)o1 ZINC000091747090 208135683 /nfs/dbraw/zinc/13/56/83/208135683.db2.gz AKQOADDEKYRNEU-IBGZPJMESA-N 1 0 395.547 4.381 50 0 GIAARO c1ccc(COC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1 ZINC000089836670 208109721 /nfs/dbraw/zinc/10/97/21/208109721.db2.gz JOMIZDAGPXTUOF-DEOSSOPVSA-N 1 0 381.516 4.426 50 0 GIAARO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3C(F)(F)F)C2)CN1C1CC1 ZINC000091325567 208114876 /nfs/dbraw/zinc/11/48/76/208114876.db2.gz BIMWNFBGWAIDBS-IBGZPJMESA-N 1 0 384.417 4.212 50 0 GIAARO C=Cc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000095372918 208167987 /nfs/dbraw/zinc/16/79/87/208167987.db2.gz CNCJACMPXJOOGY-RBZQAINGSA-N 1 0 388.511 4.041 50 0 GIAARO Cc1cc(C[N@H+]2CCC[C@@H](C)C2)c(C)c(-c2cn(Cc3ccncc3)nn2)c1 ZINC000095384430 208171566 /nfs/dbraw/zinc/17/15/66/208171566.db2.gz VPNJYJFXZNTJEB-QGZVFWFLSA-N 1 0 375.520 4.237 50 0 GIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(O)c3)CC2)C1 ZINC000092081336 208151040 /nfs/dbraw/zinc/15/10/40/208151040.db2.gz NYJZDVWGYVVFHL-OAQYLSRUSA-N 1 0 378.516 4.124 50 0 GIAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000095507289 208207077 /nfs/dbraw/zinc/20/70/77/208207077.db2.gz VNFXFZAOLHELHG-OAQYLSRUSA-N 1 0 394.515 4.192 50 0 GIAARO CC(C)(C)OC(=O)NC1CCC([N@@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000095457124 208187146 /nfs/dbraw/zinc/18/71/46/208187146.db2.gz OUVAOLDTBLTQPQ-QNGMFEMESA-N 1 0 388.552 4.361 50 0 GIAARO COC(=O)C1CC[NH+](CCCSc2nc(C)c(C)n2C2CCCCC2)CC1 ZINC000095468101 208191485 /nfs/dbraw/zinc/19/14/85/208191485.db2.gz AQYVRHMNUUXVMD-UHFFFAOYSA-N 1 0 393.597 4.372 50 0 GIAARO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000095482567 208194240 /nfs/dbraw/zinc/19/42/40/208194240.db2.gz AWVNGOSRUQDKNH-JOCHJYFZSA-N 1 0 382.504 4.264 50 0 GIAARO Cc1ccnc(C[C@@H](C)N(C)C(=O)Nc2ccccc2C[NH+]2CCCCC2)c1 ZINC000095497575 208197340 /nfs/dbraw/zinc/19/73/40/208197340.db2.gz BUZGYKODFQRUQG-LJQANCHMSA-N 1 0 380.536 4.471 50 0 GIAARO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC000095498664 208197446 /nfs/dbraw/zinc/19/74/46/208197446.db2.gz ITBVSVGXFNLYKZ-UHFFFAOYSA-N 1 0 377.872 4.118 50 0 GIAARO CC(C)c1ncc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513288 208214243 /nfs/dbraw/zinc/21/42/43/208214243.db2.gz MRGFGWVDJFZNSO-HXUWFJFHSA-N 1 0 384.543 4.126 50 0 GIAARO C[N@H+](Cc1csc(-c2ccoc2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000095959206 208244272 /nfs/dbraw/zinc/24/42/72/208244272.db2.gz STPQHGJLMYSSEO-UHFFFAOYSA-N 1 0 381.501 4.140 50 0 GIAARO Cc1cnccc1C[N@@H+]1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000095522122 208219932 /nfs/dbraw/zinc/21/99/32/208219932.db2.gz WCYJBWODIQGELD-SFHVURJKSA-N 1 0 385.939 4.352 50 0 GIAARO Cc1ccc(CN(CCO)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)s1 ZINC000096142278 208271641 /nfs/dbraw/zinc/27/16/41/208271641.db2.gz SDFFETYSICEIDE-UHFFFAOYSA-N 1 0 387.549 4.069 50 0 GIAARO CCc1nc(C)c(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](CC)C3)o1 ZINC000096141681 208271809 /nfs/dbraw/zinc/27/18/09/208271809.db2.gz VTVOMDHUEQQMRK-HXUWFJFHSA-N 1 0 395.547 4.277 50 0 GIAARO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(=O)Nc2cccc(Br)c2)cc1 ZINC000095995895 208250668 /nfs/dbraw/zinc/25/06/68/208250668.db2.gz SFMWANULNSKCGM-ZIAGYGMSSA-N 1 0 391.309 4.178 50 0 GIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cnc(C)s3)CC2)C1 ZINC000096137390 208268915 /nfs/dbraw/zinc/26/89/15/208268915.db2.gz NRMHHEGZUCTVEV-LJQANCHMSA-N 1 0 383.561 4.183 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323683 208309154 /nfs/dbraw/zinc/30/91/54/208309154.db2.gz QQWKMYXOURXVOE-OAHLLOKOSA-N 1 0 396.466 4.315 50 0 GIAARO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc(-c2cccnc2)cc1 ZINC000097033637 208333168 /nfs/dbraw/zinc/33/31/68/208333168.db2.gz GDQUVTHQVGFFEM-OAHLLOKOSA-N 1 0 392.528 4.373 50 0 GIAARO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](c1cc(F)ccc1F)C1CC1 ZINC000097162375 208341342 /nfs/dbraw/zinc/34/13/42/208341342.db2.gz GUCHTVJBFCKGEI-LHSJRXKWSA-N 1 0 388.458 4.352 50 0 GIAARO CC(C)(C)c1ccc(NC(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000225576997 208960290 /nfs/dbraw/zinc/96/02/90/208960290.db2.gz SZHOWXLUALXJPH-LJQANCHMSA-N 1 0 375.582 4.323 50 0 GIAARO O[C@]12CCCC[C@H]1[C@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccccc1F)CC2 ZINC000230007800 209003530 /nfs/dbraw/zinc/00/35/30/209003530.db2.gz QYCGHCGVHINPBT-TZYHBYERSA-N 1 0 383.463 4.423 50 0 GIAARO C[NH+](C)C[C@@H]1CSCC[C@@]1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096247419 209013254 /nfs/dbraw/zinc/01/32/54/209013254.db2.gz XJTDCNSMOUNWGU-ZIAGYGMSSA-N 1 0 387.389 4.227 50 0 GIAARO CC1CCC([NH+]2CCC(N(C)C(=O)c3cnnc(-c4ccccc4)c3)CC2)CC1 ZINC000239882087 209018474 /nfs/dbraw/zinc/01/84/74/209018474.db2.gz DAEYIXCNTZCUDY-UHFFFAOYSA-N 1 0 392.547 4.259 50 0 GIAARO CCC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3C)c2C(C)C)CC1 ZINC000240786141 209019202 /nfs/dbraw/zinc/01/92/02/209019202.db2.gz IAVKZLDDUDUEIX-UHFFFAOYSA-N 1 0 383.540 4.300 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248006867 209028221 /nfs/dbraw/zinc/02/82/21/209028221.db2.gz UEJMMTPPGKIVAT-UHFFFAOYSA-N 1 0 395.934 4.445 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)nc2ccccc21 ZINC000248264904 209033122 /nfs/dbraw/zinc/03/31/22/209033122.db2.gz SBFYJGYUNTWSLQ-UYAOXDASSA-N 1 0 390.531 4.146 50 0 GIAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)cc1 ZINC000252493707 209034755 /nfs/dbraw/zinc/03/47/55/209034755.db2.gz NFHOAAMMTOYUIN-UHFFFAOYSA-N 1 0 377.492 4.258 50 0 GIAARO O=C(NCc1nc2ccccc2s1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299790568 209088738 /nfs/dbraw/zinc/08/87/38/209088738.db2.gz CKMWQAXMYXMUAP-UHOSZYNNSA-N 1 0 377.513 4.138 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2)cc1)Cc1ccccc1 ZINC000007988284 221021330 /nfs/dbraw/zinc/02/13/30/221021330.db2.gz OHWLOKPGVGZFQO-HSZRJFAPSA-N 1 0 388.511 4.168 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)[NH+]2CCC(C)CC2)o1 ZINC000015860306 221348734 /nfs/dbraw/zinc/34/87/34/221348734.db2.gz HJGRKVWVYMYEEG-HXUWFJFHSA-N 1 0 384.520 4.173 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccs1 ZINC000015859710 221348813 /nfs/dbraw/zinc/34/88/13/221348813.db2.gz VQEILFIYONUJQW-OAHLLOKOSA-N 1 0 375.881 4.089 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860314 221349070 /nfs/dbraw/zinc/34/90/70/221349070.db2.gz WXJPQKVXASSTSI-OAQYLSRUSA-N 1 0 384.520 4.173 50 0 GIAARO Cc1cc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc(C)c1Cl ZINC000015860038 221349204 /nfs/dbraw/zinc/34/92/04/221349204.db2.gz OLSPWTZLODLXOH-SFHVURJKSA-N 1 0 390.911 4.272 50 0 GIAARO COc1ccc([C@@H](CNC(=S)Nc2ccc(F)cc2F)[NH+]2CCCC2)cc1 ZINC000016315647 221360301 /nfs/dbraw/zinc/36/03/01/221360301.db2.gz PHMNSPBKLWJHCY-LJQANCHMSA-N 1 0 391.487 4.097 50 0 GIAARO COc1cccc(-c2ccc(C(=O)N(C)C[C@@H]3CC[N@H+](CC(C)C)C3)cc2)c1 ZINC000426715910 533370296 /nfs/dbraw/zinc/37/02/96/533370296.db2.gz LYUUHRCOCJYUJG-IBGZPJMESA-N 1 0 380.532 4.412 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000040103793 132395836 /nfs/dbraw/zinc/39/58/36/132395836.db2.gz SHYFGPPZOKWJFI-HSZRJFAPSA-N 1 0 392.547 4.288 50 0 GIAARO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1cccc2ccccc21 ZINC000058149069 136154536 /nfs/dbraw/zinc/15/45/36/136154536.db2.gz WADLDKNDXLMFOI-INIZCTEOSA-N 1 0 387.483 4.254 50 0 GIAARO c1csc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)c1 ZINC000058171343 136154900 /nfs/dbraw/zinc/15/49/00/136154900.db2.gz JXZKIBTUWUCTHR-UHFFFAOYSA-N 1 0 387.512 4.076 50 0 GIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3C=C12 ZINC000059409688 136155657 /nfs/dbraw/zinc/15/56/57/136155657.db2.gz KOEZUQWSZXYTHE-OUDZHVFCSA-N 1 0 394.559 4.123 50 0 GIAARO Fc1ccc2nc(C[N@@H+]3CCCC34CCN(c3ccccn3)CC4)ccc2c1 ZINC000072429256 136170049 /nfs/dbraw/zinc/17/00/49/136170049.db2.gz CWOVZSUDJVYYGB-UHFFFAOYSA-N 1 0 376.479 4.404 50 0 GIAARO Cc1cc2c(ncnc2N2CCC([NH2+][C@H](c3ncccc3C)C3CC3)CC2)s1 ZINC000096166688 136184806 /nfs/dbraw/zinc/18/48/06/136184806.db2.gz BRZTZQLKJMZSHM-FQEVSTJZSA-N 1 0 393.560 4.413 50 0 GIAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717438 136195570 /nfs/dbraw/zinc/19/55/70/136195570.db2.gz BHVQTSSSTGUBRU-UHFFFAOYSA-N 1 0 385.552 4.488 50 0 GIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc4ncsc4c3)CC2)o1 ZINC000299755641 209082171 /nfs/dbraw/zinc/08/21/71/209082171.db2.gz GIQXBGDHMGPTEM-UHFFFAOYSA-N 1 0 384.505 4.231 50 0 GIAARO Cc1ccc(-c2cccc(C(=O)NC[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2)nc1 ZINC000299768718 209085253 /nfs/dbraw/zinc/08/52/53/209085253.db2.gz MGPGIQQHNYAXME-IBGZPJMESA-N 1 0 377.532 4.441 50 0 GIAARO C[C@@H](c1cccc(-c2nc(N(C)C)n(Cc3ccccc3)n2)c1)[NH+]1CCCC1 ZINC000426529279 534074356 /nfs/dbraw/zinc/07/43/56/534074356.db2.gz LDOHEFIUBFUTFR-SFHVURJKSA-N 1 0 375.520 4.216 50 0 GIAARO CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C12CCCC2 ZINC000239653731 520424021 /nfs/dbraw/zinc/42/40/21/520424021.db2.gz BKYFUIGYLYFVDF-HDDXRBDOSA-N 1 0 378.557 4.244 50 0 GIAARO CC[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1-c1c(C)cc(C)cc1C ZINC000025179127 522599702 /nfs/dbraw/zinc/59/97/02/522599702.db2.gz PJRZHGASPOFLPK-FQEVSTJZSA-N 1 0 388.519 4.352 50 0 GIAARO Cc1ccc(N[C@@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)cc1C ZINC000019220327 525313077 /nfs/dbraw/zinc/31/30/77/525313077.db2.gz GPMDVDZQLCUJMZ-HSZRJFAPSA-N 1 0 378.564 4.239 50 0 GIAARO O=C(Nc1ccccc1-c1ccccc1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000095496721 527401468 /nfs/dbraw/zinc/40/14/68/527401468.db2.gz XLYJKUPRUHIMIE-HXUWFJFHSA-N 1 0 379.504 4.072 50 0 GIAARO O=C(Nc1ccccc1SCC(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000048324819 570235976 /nfs/dbraw/zinc/23/59/76/570235976.db2.gz VZPYOYZRHHWPQL-AWEZNQCLSA-N 1 0 387.471 4.433 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)[NH+]2CCCC2)cc1 ZINC000035271295 570280172 /nfs/dbraw/zinc/28/01/72/570280172.db2.gz CQSLJXBRRNJIEF-JLHGSKIFSA-N 1 0 394.515 4.147 50 0 GIAARO O=C(NCCc1c2ccccc2[nH]c1-[n+]1ccccc1)c1ccc(Cl)cc1 ZINC000002543504 570290423 /nfs/dbraw/zinc/29/04/23/570290423.db2.gz OQUIRLSXZLQOSD-UHFFFAOYSA-O 1 0 376.867 4.071 50 0 GIAARO CN(C(=O)OCc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)C[NH+]1CCCC1 ZINC000002580994 570291192 /nfs/dbraw/zinc/29/11/92/570291192.db2.gz HWHTTWOEJXZVKS-NRFANRHFSA-N 1 0 391.515 4.443 50 0 GIAARO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1C ZINC000012916146 570293115 /nfs/dbraw/zinc/29/31/15/570293115.db2.gz LQHKBFGHZVOUAN-XMMPIXPASA-N 1 0 388.467 4.350 50 0 GIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)c1 ZINC000012300963 570299065 /nfs/dbraw/zinc/29/90/65/570299065.db2.gz UQRPRXLENKGVCN-DEOSSOPVSA-N 1 0 397.563 4.283 50 0 GIAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000034682932 570300676 /nfs/dbraw/zinc/30/06/76/570300676.db2.gz NDLJYPHIAYPTCB-UHFFFAOYSA-N 1 0 396.531 4.420 50 0 GIAARO Cc1nc2cc(NC(=O)[C@H](CC(C)C)n3cccc3)ccc2n1CCC[NH+](C)C ZINC000575443031 570313447 /nfs/dbraw/zinc/31/34/47/570313447.db2.gz NBKNJWJLDVVYAN-QFIPXVFZSA-N 1 0 395.551 4.324 50 0 GIAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000159098407 570320491 /nfs/dbraw/zinc/32/04/91/570320491.db2.gz TUBDUJHQTMQZBW-ZDUSSCGKSA-N 1 0 394.302 4.252 50 0 GIAARO CCCOc1ccc(Br)cc1C[NH2+]CCCOc1ccccn1 ZINC000113396618 570331525 /nfs/dbraw/zinc/33/15/25/570331525.db2.gz ZJOOZNLJYYQGEM-UHFFFAOYSA-N 1 0 379.298 4.192 50 0 GIAARO c1nc(-c2cccc(N3CCC([NH2+]CCCc4ccncc4)CC3)c2)cs1 ZINC000023191729 570349215 /nfs/dbraw/zinc/34/92/15/570349215.db2.gz FENFHULPKHNGRQ-UHFFFAOYSA-N 1 0 378.545 4.396 50 0 GIAARO O[C@H](COc1ccc2ccccc2c1Cl)C[NH+]1CCN(c2ccccc2)CC1 ZINC000023230185 570351107 /nfs/dbraw/zinc/35/11/07/570351107.db2.gz PWDODLZUYVCWJM-FQEVSTJZSA-N 1 0 396.918 4.055 50 0 GIAARO COc1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)cc1 ZINC000390826653 570357041 /nfs/dbraw/zinc/35/70/41/570357041.db2.gz OFDGNZYVSUEVPS-KKXYHZGYSA-N 1 0 381.520 4.122 50 0 GIAARO COc1ccc([C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)C)cc1 ZINC000604404889 570361379 /nfs/dbraw/zinc/36/13/79/570361379.db2.gz IKAJZSOJQKSGBW-NNWRFLSQSA-N 1 0 387.568 4.298 50 0 GIAARO CC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)cc1 ZINC000575619940 570368764 /nfs/dbraw/zinc/36/87/64/570368764.db2.gz NKFSTYCEIDAWGG-UHFFFAOYSA-N 1 0 389.455 4.107 50 0 GIAARO Cc1noc(C(C)C)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000022681579 570373529 /nfs/dbraw/zinc/37/35/29/570373529.db2.gz YQRIBDBCGZMQMW-MRXNPFEDSA-N 1 0 375.538 4.371 50 0 GIAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000004670830 570391802 /nfs/dbraw/zinc/39/18/02/570391802.db2.gz GZDKIPZWTDBSJF-KRWDZBQOSA-N 1 0 394.284 4.436 50 0 GIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 ZINC000006349164 570395635 /nfs/dbraw/zinc/39/56/35/570395635.db2.gz KIFDWMQURDDGGH-HNNXBMFYSA-N 1 0 392.322 4.318 50 0 GIAARO Fc1ccccc1N1CCN(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000004712145 570397152 /nfs/dbraw/zinc/39/71/52/570397152.db2.gz ZPERRVVQFXNOJR-UHFFFAOYSA-N 1 0 392.522 4.094 50 0 GIAARO O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000072230577 570397518 /nfs/dbraw/zinc/39/75/18/570397518.db2.gz NSELMXPFACHQGY-LJQANCHMSA-N 1 0 399.510 4.327 50 0 GIAARO CC1(C)CC(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC(C)(C)[NH2+]1 ZINC000005059732 570427379 /nfs/dbraw/zinc/42/73/79/570427379.db2.gz QSTPHRWMTCJLOA-UHFFFAOYSA-N 1 0 393.742 4.451 50 0 GIAARO O=C(NC1CC[NH+](C2CC2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000044217676 570430553 /nfs/dbraw/zinc/43/05/53/570430553.db2.gz JQGSULOIARUDJY-UHFFFAOYSA-N 1 0 380.454 4.260 50 0 GIAARO C[NH+]1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4Cl)cnn32)CC1 ZINC000005347858 570434986 /nfs/dbraw/zinc/43/49/86/570434986.db2.gz GUMIVGCBQATHEQ-UHFFFAOYSA-N 1 0 383.927 4.099 50 0 GIAARO CN(C)C(=O)c1cccc(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000248036368 570436251 /nfs/dbraw/zinc/43/62/51/570436251.db2.gz UVYRWEOXXMGJIK-RPWUZVMVSA-N 1 0 391.559 4.017 50 0 GIAARO O=C(COc1ccccc1Cl)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580662 570436261 /nfs/dbraw/zinc/43/62/61/570436261.db2.gz JLSLOIHGHBBGCH-INIZCTEOSA-N 1 0 378.925 4.124 50 0 GIAARO COc1ccccc1N1CC[NH+]([C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000006235613 570472949 /nfs/dbraw/zinc/47/29/49/570472949.db2.gz CUFKSDXCOVGSBG-MRXNPFEDSA-N 1 0 378.438 4.467 50 0 GIAARO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCc2ccccc21 ZINC000029482648 570474701 /nfs/dbraw/zinc/47/47/01/570474701.db2.gz AGXYMFYPXLDCSV-KRWDZBQOSA-N 1 0 377.257 4.146 50 0 GIAARO CCc1oc2ccccc2c1C[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000072289906 570482859 /nfs/dbraw/zinc/48/28/59/570482859.db2.gz LOXOHBBCMSIXJK-KRWDZBQOSA-N 1 0 377.488 4.112 50 0 GIAARO COc1ccc(CNC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000061721420 570504513 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Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000022681576 570518784 /nfs/dbraw/zinc/51/87/84/570518784.db2.gz YQRIBDBCGZMQMW-INIZCTEOSA-N 1 0 375.538 4.371 50 0 GIAARO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccc(C)c2)ccc1OCC(N)=O ZINC000033087224 570519865 /nfs/dbraw/zinc/51/98/65/570519865.db2.gz NEZQCRZNZGYCOQ-OAQYLSRUSA-N 1 0 396.531 4.375 50 0 GIAARO COc1cc(OC)c(NC(=O)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000072306876 570524583 /nfs/dbraw/zinc/52/45/83/570524583.db2.gz NFXGOFXZLAJTCD-MRXNPFEDSA-N 1 0 388.895 4.208 50 0 GIAARO CCOc1cc(CNCCC[NH2+]C)cc(Cl)c1OCc1ccccc1F ZINC000008254158 570526143 /nfs/dbraw/zinc/52/61/43/570526143.db2.gz SGVNEVKHTIFJPD-UHFFFAOYSA-N 1 0 380.891 4.156 50 0 GIAARO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC(C)(C)C1 ZINC000034118318 570530714 /nfs/dbraw/zinc/53/07/14/570530714.db2.gz AQXFPFUNXBPFNS-DUXKGJEZSA-N 1 0 394.987 4.054 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2oc3ccccc3c2CSC)[NH+](C)C)cc1 ZINC000032960870 570531545 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Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)c1 ZINC000036103924 570541013 /nfs/dbraw/zinc/54/10/13/570541013.db2.gz WWKKHIVRGNJVLK-QFIPXVFZSA-N 1 0 399.531 4.068 50 0 GIAARO CN(C)[C@H](C[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000022865217 570558352 /nfs/dbraw/zinc/55/83/52/570558352.db2.gz BVPJINTYGINITG-HSZRJFAPSA-N 1 0 385.596 4.373 50 0 GIAARO O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)NC1CCCCC1 ZINC000022907671 570563974 /nfs/dbraw/zinc/56/39/74/570563974.db2.gz FZAFQJGXTCERFD-HXUWFJFHSA-N 1 0 383.561 4.479 50 0 GIAARO COc1ccc2oc(=O)cc(C[N@H+](CCCOC(C)C)Cc3ccco3)c2c1 ZINC000006743187 570564519 /nfs/dbraw/zinc/56/45/19/570564519.db2.gz QBVHVVGSYAJAAE-UHFFFAOYSA-N 1 0 385.460 4.212 50 0 GIAARO COc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OCc1ccccc1 ZINC000010314041 570568374 /nfs/dbraw/zinc/56/83/74/570568374.db2.gz ZBVPXJAKQVSPGD-UHFFFAOYSA-N 1 0 385.895 4.304 50 0 GIAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccccc1Cl ZINC000010313988 570568410 /nfs/dbraw/zinc/56/84/10/570568410.db2.gz HKLWVHIZWSDLOC-UHFFFAOYSA-N 1 0 385.895 4.304 50 0 GIAARO CCOc1ccc(-c2nc(C[NH+]3CCC(C(=O)N(CC)CC)CC3)c(C)o2)cc1 ZINC000011662243 570577470 /nfs/dbraw/zinc/57/74/70/570577470.db2.gz WVEQLSSCKJLNTG-UHFFFAOYSA-N 1 0 399.535 4.129 50 0 GIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)cc1OC ZINC000011667989 570579293 /nfs/dbraw/zinc/57/92/93/570579293.db2.gz GZVVDNHVGLENKW-FQEVSTJZSA-N 1 0 390.483 4.347 50 0 GIAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)/C=C/c2ccccc2)CC1 ZINC000011763569 570581685 /nfs/dbraw/zinc/58/16/85/570581685.db2.gz NHLHXPGHBLVSGJ-OUKQBFOZSA-N 1 0 392.543 4.122 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000011774134 570582404 /nfs/dbraw/zinc/58/24/04/570582404.db2.gz ZPXHDRZIXZJKLW-UHFFFAOYSA-N 1 0 378.451 4.112 50 0 GIAARO COc1cc(C[NH2+][C@H](C)c2cccc(Br)c2)cc(OC)c1OC ZINC000028925677 570584854 /nfs/dbraw/zinc/58/48/54/570584854.db2.gz IIOCEPNVTQOIGG-GFCCVEGCSA-N 1 0 380.282 4.326 50 0 GIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011821639 570586164 /nfs/dbraw/zinc/58/61/64/570586164.db2.gz VFVRGLYLWWBVCB-GOSISDBHSA-N 1 0 378.501 4.056 50 0 GIAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H]([NH2+]Cc2cccn2-c2ncccn2)C1 ZINC000011839800 570586788 /nfs/dbraw/zinc/58/67/88/570586788.db2.gz TTXNZHAUUOBNAL-NRFANRHFSA-N 1 0 398.514 4.256 50 0 GIAARO Cc1c(C[NH2+][C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)cnn1C ZINC000011843098 570587598 /nfs/dbraw/zinc/58/75/98/570587598.db2.gz RMCFNSBQXPQFHU-NRFANRHFSA-N 1 0 377.536 4.379 50 0 GIAARO C/C=C(\C)C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011843664 570587672 /nfs/dbraw/zinc/58/76/72/570587672.db2.gz FQXDSFGTZHWFHP-RRNRPRPZSA-N 1 0 388.527 4.012 50 0 GIAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH2+]C1CCCCC1 ZINC000005413242 570588399 /nfs/dbraw/zinc/58/83/99/570588399.db2.gz MGKHMOLABUTPBI-UHFFFAOYSA-N 1 0 386.517 4.453 50 0 GIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000011934894 570593349 /nfs/dbraw/zinc/59/33/49/570593349.db2.gz KLLOHGREPCFBAS-UHFFFAOYSA-N 1 0 397.515 4.092 50 0 GIAARO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951363 570595845 /nfs/dbraw/zinc/59/58/45/570595845.db2.gz JCBSWKBOEUAZEI-JOCHJYFZSA-N 1 0 384.593 4.006 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(C)c(O)c(C)c3)C2)c(OC)c1 ZINC000012058369 570603504 /nfs/dbraw/zinc/60/35/04/570603504.db2.gz VDIQXVKSSWKSSG-GOSISDBHSA-N 1 0 383.488 4.121 50 0 GIAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OC(C)C ZINC000040729016 570607842 /nfs/dbraw/zinc/60/78/42/570607842.db2.gz IJRIVJURSXQGJS-UHFFFAOYSA-N 1 0 379.298 4.320 50 0 GIAARO CCc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)cc1 ZINC000012098461 570608169 /nfs/dbraw/zinc/60/81/69/570608169.db2.gz FGITZRFOBNECPN-HSZRJFAPSA-N 1 0 392.543 4.193 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCc1ccc(F)cc1Cl ZINC000040737095 570610294 /nfs/dbraw/zinc/61/02/94/570610294.db2.gz LAPVTLRDCZRPQY-KRWDZBQOSA-N 1 0 381.875 4.317 50 0 GIAARO CCC[NH+](CCC)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000006809540 570611968 /nfs/dbraw/zinc/61/19/68/570611968.db2.gz XYRAZWLSMVQABA-HXUWFJFHSA-N 1 0 394.968 4.482 50 0 GIAARO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000040744087 570613704 /nfs/dbraw/zinc/61/37/04/570613704.db2.gz KBSBXTXBDJLUCF-NSHDSACASA-N 1 0 388.266 4.191 50 0 GIAARO C[N@H+](CCNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1)Cc1ccccc1 ZINC000064967963 570618792 /nfs/dbraw/zinc/61/87/92/570618792.db2.gz URVMIBNFBVBIOT-UHFFFAOYSA-N 1 0 399.494 4.280 50 0 GIAARO COc1ccc(CC2(CO)CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc1 ZINC000012196815 570623169 /nfs/dbraw/zinc/62/31/69/570623169.db2.gz OLFNIGPENJQPPW-UHFFFAOYSA-N 1 0 378.516 4.004 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000042881769 570623686 /nfs/dbraw/zinc/62/36/86/570623686.db2.gz ZTBTWWADQDCIHL-MRXNPFEDSA-N 1 0 389.425 4.209 50 0 GIAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@@H](c3ccccc3C)C2)cc1C ZINC000036344874 570627083 /nfs/dbraw/zinc/62/70/83/570627083.db2.gz HGYCLAQCJQHKHO-HSZRJFAPSA-N 1 0 375.516 4.385 50 0 GIAARO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036343531 570627163 /nfs/dbraw/zinc/62/71/63/570627163.db2.gz PIGOKCCLCURGHB-QHCPKHFHSA-N 1 0 375.516 4.385 50 0 GIAARO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(OCc3cccnc3)CC2)cc1C ZINC000012305249 570638230 /nfs/dbraw/zinc/63/82/30/570638230.db2.gz RGTGIFUQOXIWPX-UHFFFAOYSA-N 1 0 376.504 4.270 50 0 GIAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012317394 570641634 /nfs/dbraw/zinc/64/16/34/570641634.db2.gz SCCWQAPQKLCKJY-UHFFFAOYSA-N 1 0 378.451 4.067 50 0 GIAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(OC)cc1 ZINC000044936355 570644256 /nfs/dbraw/zinc/64/42/56/570644256.db2.gz WIWODWAVKKAIFM-JOCHJYFZSA-N 1 0 384.495 4.314 50 0 GIAARO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC000036379470 570648522 /nfs/dbraw/zinc/64/85/22/570648522.db2.gz SPRHKIJSYCZQDV-GMAHTHKFSA-N 1 0 390.483 4.007 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](OC)C2)c(F)c1 ZINC000012387612 570652313 /nfs/dbraw/zinc/65/23/13/570652313.db2.gz NFXGOGKUZMNFRP-FQEVSTJZSA-N 1 0 395.478 4.298 50 0 GIAARO CCCCOc1ccc(NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000005585014 570661670 /nfs/dbraw/zinc/66/16/70/570661670.db2.gz VIZVINQUFCXMGH-UHFFFAOYSA-N 1 0 398.576 4.426 50 0 GIAARO O=C(c1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1)N1CCCC1 ZINC000012438577 570663086 /nfs/dbraw/zinc/66/30/86/570663086.db2.gz DVXLULPKIUVRHU-UHFFFAOYSA-N 1 0 382.479 4.105 50 0 GIAARO COc1cccc(CCC(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000012442441 570664970 /nfs/dbraw/zinc/66/49/70/570664970.db2.gz ZKQUEZAIANFUCC-HSZRJFAPSA-N 1 0 394.559 4.041 50 0 GIAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCCc4ccccc4)C3)C2=O)c1 ZINC000012442698 570665169 /nfs/dbraw/zinc/66/51/69/570665169.db2.gz SWHUJPGPJGWSSR-RUZDIDTESA-N 1 0 392.543 4.143 50 0 GIAARO C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)C[C@H](C)O1 ZINC000229719502 570666390 /nfs/dbraw/zinc/66/63/90/570666390.db2.gz CXLRGMFDVFXTRE-FVJLSDCUSA-N 1 0 384.545 4.335 50 0 GIAARO OC[C@]1(CCCc2ccccc2)CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012466261 570671743 /nfs/dbraw/zinc/67/17/43/570671743.db2.gz CWGNUBUEEUPDHG-XMMPIXPASA-N 1 0 381.516 4.055 50 0 GIAARO Cc1cccc(-n2cc(C[NH+]3CCC(CO)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000012467036 570671764 /nfs/dbraw/zinc/67/17/64/570671764.db2.gz NEMYPWJTULFCQV-UHFFFAOYSA-N 1 0 379.479 4.191 50 0 GIAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000055242620 570688289 /nfs/dbraw/zinc/68/82/89/570688289.db2.gz YJBTXFWAIRYWDA-QFIPXVFZSA-N 1 0 392.543 4.255 50 0 GIAARO Cc1cccc(-c2ncc(C[NH2+]C[C@@H](C)Oc3cccc(N(C)C)c3)cn2)c1 ZINC000055227987 570688334 /nfs/dbraw/zinc/68/83/34/570688334.db2.gz IBPNXPMGPTVLRV-GOSISDBHSA-N 1 0 376.504 4.075 50 0 GIAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccc3c2OCO3)c1 ZINC000012596660 570689453 /nfs/dbraw/zinc/68/94/53/570689453.db2.gz JUKOCQORNMGBBD-SFHVURJKSA-N 1 0 383.398 4.046 50 0 GIAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000055368587 570692841 /nfs/dbraw/zinc/69/28/41/570692841.db2.gz XFXAKOVAWUSHIP-OAQYLSRUSA-N 1 0 397.950 4.075 50 0 GIAARO O=C(CCC[NH+]1CCCC1)Nc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000055414269 570695136 /nfs/dbraw/zinc/69/51/36/570695136.db2.gz KRSNTDVYWIEHQJ-UHFFFAOYSA-N 1 0 379.504 4.072 50 0 GIAARO c1n[nH]cc1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012702283 570699042 /nfs/dbraw/zinc/69/90/42/570699042.db2.gz UZGFAAOAVFMLCV-UHFFFAOYSA-N 1 0 397.482 4.400 50 0 GIAARO COc1cccc(OC)c1C[N@@H+]1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012707128 570700523 /nfs/dbraw/zinc/70/05/23/570700523.db2.gz UDHNPVOFWHDYKC-QFIPXVFZSA-N 1 0 389.923 4.174 50 0 GIAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cccc(F)c3)nc21 ZINC000004359733 570706353 /nfs/dbraw/zinc/70/63/53/570706353.db2.gz GNUWMNXVDKRNJP-UHFFFAOYSA-N 1 0 387.480 4.043 50 0 GIAARO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000058009729 570706855 /nfs/dbraw/zinc/70/68/55/570706855.db2.gz DJHGLYHJPKNTTO-UHFFFAOYSA-N 1 0 391.462 4.316 50 0 GIAARO COc1cc(C)ccc1Oc1ccc(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000058112226 570709795 /nfs/dbraw/zinc/70/97/95/570709795.db2.gz MWTNBZLCHIPDBP-KRWDZBQOSA-N 1 0 398.507 4.044 50 0 GIAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc2ccccc21 ZINC000058170341 570715425 /nfs/dbraw/zinc/71/54/25/570715425.db2.gz MOIHWUAPRNUSTA-INIZCTEOSA-N 1 0 387.483 4.021 50 0 GIAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+]([C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000012835736 570723477 /nfs/dbraw/zinc/72/34/77/570723477.db2.gz ONQCBMVXFZCUBC-KRWDZBQOSA-N 1 0 386.515 4.275 50 0 GIAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000058355701 570728357 /nfs/dbraw/zinc/72/83/57/570728357.db2.gz PGGGFYNBGJFQQM-HNNXBMFYSA-N 1 0 393.369 4.107 50 0 GIAARO CCN(Cc1ccccc1)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](C)C3)n2)cn1 ZINC000065216404 570734363 /nfs/dbraw/zinc/73/43/63/570734363.db2.gz LXTOFSSTRXQSAU-SFHVURJKSA-N 1 0 391.519 4.390 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)n(-c2ccccc2C)n1 ZINC000012975234 570734578 /nfs/dbraw/zinc/73/45/78/570734578.db2.gz OQJGNXNRDGJTKP-QHCPKHFHSA-N 1 0 376.504 4.415 50 0 GIAARO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000058953665 570736348 /nfs/dbraw/zinc/73/63/48/570736348.db2.gz SAHJEIVYOSRXLB-ZDUSSCGKSA-N 1 0 377.941 4.376 50 0 GIAARO COc1ccccc1C(=O)N1CC[NH+](C2(c3ccccc3)CCCCC2)CC1 ZINC000059360538 570737841 /nfs/dbraw/zinc/73/78/41/570737841.db2.gz UVYCVDGXCAMVPI-UHFFFAOYSA-N 1 0 378.516 4.313 50 0 GIAARO CC[N@@H+]1CCC[C@](C(=O)Nc2cc(OC)cc(OC)c2)(c2ccccc2)CC1 ZINC000065226063 570739053 /nfs/dbraw/zinc/73/90/53/570739053.db2.gz RYPGUIUDYWPQER-HSZRJFAPSA-N 1 0 382.504 4.086 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000013058398 570744195 /nfs/dbraw/zinc/74/41/95/570744195.db2.gz ZKFNNBYGYKJSND-RBBKRZOGSA-N 1 0 398.572 4.289 50 0 GIAARO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000033059973 570747452 /nfs/dbraw/zinc/74/74/52/570747452.db2.gz FSTXZDBKLSFTHD-OAHLLOKOSA-N 1 0 396.560 4.308 50 0 GIAARO CC1(C)CCC[C@@H]([NH+]2CCC(c3cc(=O)[nH]c(CCc4ccccn4)n3)CC2)C1 ZINC000063846990 570751303 /nfs/dbraw/zinc/75/13/03/570751303.db2.gz UWAVQYDGXOMEAV-HXUWFJFHSA-N 1 0 394.563 4.098 50 0 GIAARO COc1ccccc1C[N@H+](Cc1cccnc1)C[C@@]1(c2ccccc2)CCOC1 ZINC000063846204 570751406 /nfs/dbraw/zinc/75/14/06/570751406.db2.gz DLMFYECBWGXXMD-VWLOTQADSA-N 1 0 388.511 4.451 50 0 GIAARO O=C(Cc1c(Cl)cccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013326113 570752907 /nfs/dbraw/zinc/75/29/07/570752907.db2.gz UTAWGPARMFUSCG-UHFFFAOYSA-N 1 0 377.315 4.317 50 0 GIAARO Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000065256980 570755685 /nfs/dbraw/zinc/75/56/85/570755685.db2.gz BSGMNHOPDPXFHG-QFIPXVFZSA-N 1 0 386.499 4.011 50 0 GIAARO Cc1ccccc1C[N@H+]1CCCN(c2ncccc2-c2nc(C(C)C)no2)CC1 ZINC000065257910 570759003 /nfs/dbraw/zinc/75/90/03/570759003.db2.gz GIJZBTFIVWKHHB-UHFFFAOYSA-N 1 0 391.519 4.276 50 0 GIAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4nccnc34)C2)cc1C ZINC000013594385 570760911 /nfs/dbraw/zinc/76/09/11/570760911.db2.gz GSTBMCZYAYCRFB-IBGZPJMESA-N 1 0 389.499 4.350 50 0 GIAARO C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1C[C@@H]1CCC[N@H+](CCO)C1 ZINC000065387123 570763955 /nfs/dbraw/zinc/76/39/55/570763955.db2.gz VOXIEGMQCJBAOX-ZWUNQBBJSA-N 1 0 391.515 4.408 50 0 GIAARO CCCN(Cc1ccco1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068955 570773743 /nfs/dbraw/zinc/77/37/43/570773743.db2.gz ZNFNUEZZJXLSFX-UHFFFAOYSA-N 1 0 379.485 4.428 50 0 GIAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731378 570783060 /nfs/dbraw/zinc/78/30/60/570783060.db2.gz WQYPABFNXYYQBC-UHFFFAOYSA-N 1 0 396.512 4.372 50 0 GIAARO OCC[NH2+]CCCNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013732821 570783544 /nfs/dbraw/zinc/78/35/44/570783544.db2.gz OSWNDJMHWQYNCX-UHFFFAOYSA-N 1 0 398.934 4.134 50 0 GIAARO Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NC3(CC[NH+](C)CC3)N2)cc1 ZINC000065298491 570787525 /nfs/dbraw/zinc/78/75/25/570787525.db2.gz YULVUEKYHJTERO-LJQANCHMSA-N 1 0 383.923 4.300 50 0 GIAARO COc1ccc(C[N@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000032743336 570787584 /nfs/dbraw/zinc/78/75/84/570787584.db2.gz BZQPCJYBMDOZBG-ZJSXRUAMSA-N 1 0 381.516 4.115 50 0 GIAARO CC1CC[NH+]([C@H](CNC(=O)c2cn(C)c3ccccc23)c2cccs2)CC1 ZINC000032748017 570793946 /nfs/dbraw/zinc/79/39/46/570793946.db2.gz DYGOHUZMLVRNHO-HXUWFJFHSA-N 1 0 381.545 4.443 50 0 GIAARO Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1-c1cc(=O)[nH]c2ccccc21 ZINC000067847584 570794106 /nfs/dbraw/zinc/79/41/06/570794106.db2.gz DXDSQEYFSPDCIV-UHFFFAOYSA-N 1 0 379.423 4.146 50 0 GIAARO Cc1nc(Cn2cnc(-c3ccccc3)c2-c2cccc([C@@H](C)[NH+](C)C)c2)n[nH]1 ZINC000067947808 570797867 /nfs/dbraw/zinc/79/78/67/570797867.db2.gz BKDFMMVMFZXJJV-MRXNPFEDSA-N 1 0 386.503 4.315 50 0 GIAARO CC(C)[NH+]1CCC(NC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000032796805 570818954 /nfs/dbraw/zinc/81/89/54/570818954.db2.gz IEIRFNFGJOXQCW-UHFFFAOYSA-N 1 0 379.548 4.381 50 0 GIAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccccc1Cl ZINC000004679086 570825360 /nfs/dbraw/zinc/82/53/60/570825360.db2.gz OCKWTBNAHTVWSG-UHFFFAOYSA-N 1 0 385.851 4.191 50 0 GIAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004679094 570825433 /nfs/dbraw/zinc/82/54/33/570825433.db2.gz VXXDYOOOYXCLGC-UHFFFAOYSA-N 1 0 385.851 4.191 50 0 GIAARO CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)ccn1 ZINC000071422150 570833366 /nfs/dbraw/zinc/83/33/66/570833366.db2.gz MQHMBHZXCIKUHI-QFIPXVFZSA-N 1 0 383.511 4.156 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cccc(-n3cccc3)c2)[NH+]2CCCC2)cc1 ZINC000012533215 570834909 /nfs/dbraw/zinc/83/49/09/570834909.db2.gz TVSYXFGZFNKKLW-QHCPKHFHSA-N 1 0 389.499 4.053 50 0 GIAARO COc1ccccc1[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1nccn1C ZINC000012535042 570835383 /nfs/dbraw/zinc/83/53/83/570835383.db2.gz OYVRJMXBTNVAQP-IBGZPJMESA-N 1 0 395.846 4.348 50 0 GIAARO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)[nH]n1 ZINC000071736207 570844728 /nfs/dbraw/zinc/84/47/28/570844728.db2.gz PGRUMAMLKKFWOA-NRFANRHFSA-N 1 0 386.515 4.045 50 0 GIAARO O=C(c1ccc(Cl)cc1F)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071748241 570845625 /nfs/dbraw/zinc/84/56/25/570845625.db2.gz PNQUAFIHQDOEMS-CEWLAPEOSA-N 1 0 384.882 4.182 50 0 GIAARO COc1cccc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071749817 570846415 /nfs/dbraw/zinc/84/64/15/570846415.db2.gz UBPVDCPSDYJVAR-JOCHJYFZSA-N 1 0 384.495 4.093 50 0 GIAARO CC(C)[C@@H]1CN(C(=O)c2cc(C3CC3)no2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071757115 570848583 /nfs/dbraw/zinc/84/85/83/570848583.db2.gz JXRMRJLOUKIHRS-FQEVSTJZSA-N 1 0 385.483 4.064 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000102470033 570848855 /nfs/dbraw/zinc/84/88/55/570848855.db2.gz KJRDIKRIJPDFGK-RBBKRZOGSA-N 1 0 384.545 4.115 50 0 GIAARO Cc1nc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)s1 ZINC000071762451 570849784 /nfs/dbraw/zinc/84/97/84/570849784.db2.gz CFVWUYVXBDDUHS-IBGZPJMESA-N 1 0 389.540 4.272 50 0 GIAARO COc1ccccc1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071763534 570851140 /nfs/dbraw/zinc/85/11/40/570851140.db2.gz RNCBUDWWKGSGPX-OAQYLSRUSA-N 1 0 384.495 4.093 50 0 GIAARO CCc1noc(C)c1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072127307 570867559 /nfs/dbraw/zinc/86/75/59/570867559.db2.gz QYGFKSMJGOAOHG-HXUWFJFHSA-N 1 0 387.499 4.057 50 0 GIAARO CC(C)c1nc(N2CC[C@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)no1 ZINC000072168086 570876863 /nfs/dbraw/zinc/87/68/63/570876863.db2.gz OXFWNNHQCAQTSF-INIZCTEOSA-N 1 0 390.478 4.210 50 0 GIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000014137409 570877692 /nfs/dbraw/zinc/87/76/92/570877692.db2.gz GTHNVBXTJQDQFD-LBPRGKRZSA-N 1 0 380.282 4.326 50 0 GIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000014137411 570877888 /nfs/dbraw/zinc/87/78/88/570877888.db2.gz GTHNVBXTJQDQFD-GFCCVEGCSA-N 1 0 380.282 4.326 50 0 GIAARO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000170623175 570881250 /nfs/dbraw/zinc/88/12/50/570881250.db2.gz PPHMYBXWOOFAAA-UKRRQHHQSA-N 1 0 392.345 4.119 50 0 GIAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2ccccc2s1 ZINC000004585307 570916727 /nfs/dbraw/zinc/91/67/27/570916727.db2.gz MMZVRHVBRHEWDB-UHFFFAOYSA-N 1 0 395.528 4.488 50 0 GIAARO CCN(C(=O)c1cc2ccc(OC)cc2[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000105780112 570932471 /nfs/dbraw/zinc/93/24/71/570932471.db2.gz ZSOIKDLXWXGAML-YLJYHZDGSA-N 1 0 391.515 4.474 50 0 GIAARO Clc1cc(Br)ccc1OCCOCC[NH2+]Cc1ccccc1 ZINC000002825119 570933681 /nfs/dbraw/zinc/93/36/81/570933681.db2.gz SSGWKPDHOVUSJM-UHFFFAOYSA-N 1 0 384.701 4.288 50 0 GIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)c(OC)c1 ZINC000012648224 570934910 /nfs/dbraw/zinc/93/49/10/570934910.db2.gz MKTIZSCBYGRSRZ-HXUWFJFHSA-N 1 0 379.456 4.456 50 0 GIAARO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012805898 570948021 /nfs/dbraw/zinc/94/80/21/570948021.db2.gz RLODBYXRKBOUDU-HZPDHXFCSA-N 1 0 385.895 4.018 50 0 GIAARO Fc1ccc(Oc2cc(N3CC[NH+](C4CCCC4)CC3)ncn2)c(Cl)c1 ZINC000037377062 570964885 /nfs/dbraw/zinc/96/48/85/570964885.db2.gz RRHYRISNIZNNFR-UHFFFAOYSA-N 1 0 376.863 4.126 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c(cn1)[nH]c1ccccc12 ZINC000002159380 570974357 /nfs/dbraw/zinc/97/43/57/570974357.db2.gz QTSUSPBKPTVSOD-UHFFFAOYSA-N 1 0 384.483 4.111 50 0 GIAARO CCC[NH+]1CCC(CNC(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)CC1 ZINC000252499921 570976595 /nfs/dbraw/zinc/97/65/95/570976595.db2.gz SJDHRBKFSIIZPJ-SFHVURJKSA-N 1 0 383.540 4.044 50 0 GIAARO Cc1c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)sc2nccc(C)c12 ZINC000252506280 570978460 /nfs/dbraw/zinc/97/84/60/570978460.db2.gz VYHLAFYAGWZINA-GOSISDBHSA-N 1 0 379.529 4.165 50 0 GIAARO COc1ccc(C)cc1-c1csc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC000252508080 570978792 /nfs/dbraw/zinc/97/87/92/570978792.db2.gz XCCZUTNLNCEUMH-UHFFFAOYSA-N 1 0 393.512 4.068 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000045464220 570991231 /nfs/dbraw/zinc/99/12/31/570991231.db2.gz VWEFVNCTBAHOFI-UHFFFAOYSA-N 1 0 397.485 4.380 50 0 GIAARO CO[C@H](C)c1nc(CN2CC[NH+]([C@@H]3CCCCc4ccccc43)CC2)cs1 ZINC000170656693 571000155 /nfs/dbraw/zinc/00/01/55/571000155.db2.gz DRJOABVYUCRFHF-DYESRHJHSA-N 1 0 385.577 4.436 50 0 GIAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)n3cccc(C)c3n2)CC(C)C)cc1 ZINC000045974075 571007054 /nfs/dbraw/zinc/00/70/54/571007054.db2.gz AHLVDFFGWDMUOL-UHFFFAOYSA-N 1 0 379.504 4.060 50 0 GIAARO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000170670525 571007404 /nfs/dbraw/zinc/00/74/04/571007404.db2.gz WIMVNEJMIPILMQ-PBHICJAKSA-N 1 0 380.301 4.275 50 0 GIAARO O=C(CN1CCCCC1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000007780758 571038292 /nfs/dbraw/zinc/03/82/92/571038292.db2.gz CSTFEGVZFPCINZ-GOSISDBHSA-N 1 0 377.444 4.189 50 0 GIAARO Cc1cc(Cl)c(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000016247321 571046096 /nfs/dbraw/zinc/04/60/96/571046096.db2.gz QXBSGBRJGIXHJC-BETUJISGSA-N 1 0 376.722 4.289 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805007 823216795 /nfs/dbraw/zinc/21/67/95/823216795.db2.gz KZHMNFVRECKVHZ-HXUWFJFHSA-N 1 0 399.922 4.259 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056805008 823216875 /nfs/dbraw/zinc/21/68/75/823216875.db2.gz KZHMNFVRECKVHZ-FQEVSTJZSA-N 1 0 399.922 4.259 50 0 GIAARO Cc1c2cccc(Cl)c2oc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166619 823257681 /nfs/dbraw/zinc/25/76/81/823257681.db2.gz OXTKVEBYJZKZEH-UHFFFAOYSA-N 1 0 383.879 4.184 50 0 GIAARO CC[NH+](CC)CCOC(=O)c1oc2cc(OC)c(Br)cc2c1C ZINC000002008649 817380027 /nfs/dbraw/zinc/38/00/27/817380027.db2.gz ZNSJJBWTPPGWAV-UHFFFAOYSA-N 1 0 384.270 4.011 50 0 GIAARO CC(C)Cc1nc2sc3c(ncnc3NCCC[NH+](C)C)c2c2c1CCC2 ZINC000002232014 817380346 /nfs/dbraw/zinc/38/03/46/817380346.db2.gz IFDXZKZLRUEIMY-UHFFFAOYSA-N 1 0 383.565 4.290 50 0 GIAARO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCC(Cc3ccccc3)CC1)c(C)n2C ZINC000002294048 817383068 /nfs/dbraw/zinc/38/30/68/817383068.db2.gz ZCXJDVQGWDEQDD-XMMPIXPASA-N 1 0 392.543 4.483 50 0 GIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccs1 ZINC000002427138 817388716 /nfs/dbraw/zinc/38/87/16/817388716.db2.gz JUFWPDXGENEJHJ-LJQANCHMSA-N 1 0 396.512 4.132 50 0 GIAARO CCSc1nc2sc3c(c2c(NCC[NH+](C)C)n1)C[C@@](C)(CC)OC3 ZINC000002434798 817388997 /nfs/dbraw/zinc/38/89/97/817388997.db2.gz LMPOGEWTVZMRJB-GOSISDBHSA-N 1 0 380.583 4.018 50 0 GIAARO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccccn1 ZINC000003025926 817412186 /nfs/dbraw/zinc/41/21/86/817412186.db2.gz YYQZVSQHRQXGPI-OAHLLOKOSA-N 1 0 376.957 4.365 50 0 GIAARO COc1cc(Cl)ccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccncc1 ZINC000003049872 817414894 /nfs/dbraw/zinc/41/48/94/817414894.db2.gz UVRCWCFPXQGDHD-CQSZACIVSA-N 1 0 392.956 4.065 50 0 GIAARO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)c(OC)c1 ZINC000057363679 823282703 /nfs/dbraw/zinc/28/27/03/823282703.db2.gz KAPCKASUPGZWIU-XMMPIXPASA-N 1 0 390.483 4.330 50 0 GIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1c2ccccc2Oc2ccccc21 ZINC000007792029 817915880 /nfs/dbraw/zinc/91/58/80/817915880.db2.gz OFRIBHMCEQQTAC-IBGZPJMESA-N 1 0 384.479 4.315 50 0 GIAARO CC(C)Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000007875341 817946462 /nfs/dbraw/zinc/94/64/62/817946462.db2.gz HYEJCFTXTZWQEJ-JTSKRJEESA-N 1 0 395.547 4.298 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(COC(C)C)cc2)CC1 ZINC000008026723 817985197 /nfs/dbraw/zinc/98/51/97/817985197.db2.gz LXDVEDVQYWZKGV-UHFFFAOYSA-N 1 0 381.520 4.006 50 0 GIAARO CCc1cc2c(C[N@@H+]3CCC[C@H]3c3cccc(OC)c3)cc(=O)oc2cc1O ZINC000057529546 823307115 /nfs/dbraw/zinc/30/71/15/823307115.db2.gz RUKOIGMPOBUIQT-FQEVSTJZSA-N 1 0 379.456 4.407 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c(C)c1C ZINC000011662238 818106407 /nfs/dbraw/zinc/10/64/07/818106407.db2.gz CVWWTOKUWBPMCK-FQEVSTJZSA-N 1 0 397.515 4.424 50 0 GIAARO Cc1nc(N2CCC[C@H]([NH2+]Cc3ccccc3F)CC2)nc2ccc(F)cc12 ZINC000011999425 818136194 /nfs/dbraw/zinc/13/61/94/818136194.db2.gz OGHZVNLPOLXUFD-SFHVURJKSA-N 1 0 382.458 4.365 50 0 GIAARO CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000012048668 818139007 /nfs/dbraw/zinc/13/90/07/818139007.db2.gz KABPZWDZLRNUES-IBGZPJMESA-N 1 0 395.528 4.150 50 0 GIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)s1 ZINC000012151458 818144415 /nfs/dbraw/zinc/14/44/15/818144415.db2.gz YKKJHCOJCQFIRW-SFHVURJKSA-N 1 0 394.544 4.400 50 0 GIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)c(C)c1 ZINC000012298905 818152851 /nfs/dbraw/zinc/15/28/51/818152851.db2.gz PPXXGDZCQVQFMO-KRWDZBQOSA-N 1 0 376.566 4.330 50 0 GIAARO O=C(c1cscn1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012309031 818154382 /nfs/dbraw/zinc/15/43/82/818154382.db2.gz LGVJWWDSLBCMOW-LJQANCHMSA-N 1 0 398.576 4.225 50 0 GIAARO Cc1nn(C(C)C)c(C)c1C[N@H+](CCc1ccccc1)C[C@H]1CCCN(C)C1 ZINC000012429246 818158517 /nfs/dbraw/zinc/15/85/17/818158517.db2.gz FRRSNTOABUHAPZ-QHCPKHFHSA-N 1 0 382.596 4.467 50 0 GIAARO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4ccccc4)CC3)n2)cc1 ZINC000012597247 818169939 /nfs/dbraw/zinc/16/99/39/818169939.db2.gz MGOVNKGGZQRTCX-SFHVURJKSA-N 1 0 391.471 4.293 50 0 GIAARO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4ccccc4)CC3)n2)cc1 ZINC000012597244 818169962 /nfs/dbraw/zinc/16/99/62/818169962.db2.gz MGOVNKGGZQRTCX-GOSISDBHSA-N 1 0 391.471 4.293 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccnc3)C2)c(-c2cccc(Cl)c2)n1 ZINC000012702709 818176932 /nfs/dbraw/zinc/17/69/32/818176932.db2.gz YRXRBRMWOGHGOV-GOSISDBHSA-N 1 0 394.906 4.230 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066457 818286649 /nfs/dbraw/zinc/28/66/49/818286649.db2.gz MFFJMIIMLHBERY-DEOSSOPVSA-N 1 0 378.516 4.212 50 0 GIAARO O=C1N(CCCc2ccccc2)CCC[C@@]12CC[N@@H+](CCCC(F)(F)F)C2 ZINC000015064931 818286771 /nfs/dbraw/zinc/28/67/71/818286771.db2.gz HTJGKQIDPWRPSP-FQEVSTJZSA-N 1 0 382.470 4.276 50 0 GIAARO CC[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000058085746 823360903 /nfs/dbraw/zinc/36/09/03/823360903.db2.gz NBQFRYATSFQHRW-HSZRJFAPSA-N 1 0 394.540 4.228 50 0 GIAARO O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000022698198 818847462 /nfs/dbraw/zinc/84/74/62/818847462.db2.gz ZFWNYJRFRRDLCN-CLJLJLNGSA-N 1 0 387.523 4.233 50 0 GIAARO CC1(C)CC(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)CC(C)(C)[NH2+]1 ZINC000027983615 820302434 /nfs/dbraw/zinc/30/24/34/820302434.db2.gz QWXQTLHQHOESKE-UHFFFAOYSA-N 1 0 392.446 4.176 50 0 GIAARO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000040002596 821124600 /nfs/dbraw/zinc/12/46/00/821124600.db2.gz SMRRDNWVGJSIGV-KBPBESRZSA-N 1 0 391.309 4.444 50 0 GIAARO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000177867634 823538758 /nfs/dbraw/zinc/53/87/58/823538758.db2.gz PMWHAKDGBJTCDP-CQSZACIVSA-N 1 0 386.367 4.254 50 0 GIAARO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H](COc4ccccc4Cl)C3)on2)cn1 ZINC000185042244 822728334 /nfs/dbraw/zinc/72/83/34/822728334.db2.gz UDSOVNVFENFQGL-OAHLLOKOSA-N 1 0 386.883 4.020 50 0 GIAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)c1 ZINC000055197361 822945064 /nfs/dbraw/zinc/94/50/64/822945064.db2.gz HNDMMIXOWHWFBJ-GOSISDBHSA-N 1 0 379.460 4.105 50 0 GIAARO CC1CC[NH+](C2CCC(NC(=O)NCc3cccc4cccnc43)CC2)CC1 ZINC000124066574 823564637 /nfs/dbraw/zinc/56/46/37/823564637.db2.gz JGRWLBAESSQXKO-UHFFFAOYSA-N 1 0 380.536 4.077 50 0 GIAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)CCO1 ZINC000124334878 823588150 /nfs/dbraw/zinc/58/81/50/823588150.db2.gz IATZBMXNQYQTRC-GOSISDBHSA-N 1 0 395.503 4.196 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(CCOCC4CCCC4)no3)C2)c1 ZINC000575316945 823953020 /nfs/dbraw/zinc/95/30/20/823953020.db2.gz JMZHTABUBFSUJG-HXUWFJFHSA-N 1 0 399.535 4.207 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](Cc2nc(C4CC4)no2)CCO3)s1 ZINC000575544270 823975504 /nfs/dbraw/zinc/97/55/04/823975504.db2.gz DMFMJAMFERCLMG-INIZCTEOSA-N 1 0 387.549 4.321 50 0 GIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000575546633 823975674 /nfs/dbraw/zinc/97/56/74/823975674.db2.gz RXOYOVCNKGWZHI-FQEVSTJZSA-N 1 0 392.503 4.044 50 0 GIAARO Cc1cnc(C2CCOCC2)n1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575550866 823976128 /nfs/dbraw/zinc/97/61/28/823976128.db2.gz YXLDCNJMSWCNOW-FQEVSTJZSA-N 1 0 378.520 4.024 50 0 GIAARO C[C@@H](O)c1cccc(-c2cccc(C(=O)NCC3([NH+](C)C)CCCCC3)c2)c1 ZINC000426387294 231212059 /nfs/dbraw/zinc/21/20/59/231212059.db2.gz NWRFQCIQELUTPO-GOSISDBHSA-N 1 0 380.532 4.401 50 0 GIAARO [NH3+]CCOc1ccc(F)cc1C(=O)N(CCc1ccccc1)C1CCCCC1 ZINC000426388006 231212546 /nfs/dbraw/zinc/21/25/46/231212546.db2.gz SGYRNBGSWNITLE-UHFFFAOYSA-N 1 0 384.495 4.181 50 0 GIAARO O=C(NCc1nccs1)c1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000426489915 231228333 /nfs/dbraw/zinc/22/83/33/231228333.db2.gz NMMHHOLDCDGCFM-UHFFFAOYSA-N 1 0 377.513 4.336 50 0 GIAARO CSc1cccc(CN(C)C(=O)NCC2([NH+]3CCCCC3)CCCC2)c1 ZINC000426575026 231242457 /nfs/dbraw/zinc/24/24/57/231242457.db2.gz NCIGLXJATAUEEI-UHFFFAOYSA-N 1 0 375.582 4.349 50 0 GIAARO Cn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC000257198575 206287837 /nfs/dbraw/zinc/28/78/37/206287837.db2.gz CNRGJYDKCFDOQL-XWVZOOPGSA-N 1 0 389.543 4.214 50 0 GIAARO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3=O)c2c1 ZINC000018240776 206297591 /nfs/dbraw/zinc/29/75/91/206297591.db2.gz HHGCDXBWXWVDDD-JOCHJYFZSA-N 1 0 389.499 4.064 50 0 GIAARO Cc1ccc([C@H](CNC(=O)/C=C\c2ccccc2OC(F)F)[NH+]2CCCC2)o1 ZINC000096315885 206300764 /nfs/dbraw/zinc/30/07/64/206300764.db2.gz LSWYDHJMYTYHBB-CCCPALQASA-N 1 0 390.430 4.156 50 0 GIAARO COc1ccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000000864188 206329425 /nfs/dbraw/zinc/32/94/25/206329425.db2.gz CGJKZWCNKHETJC-JOCHJYFZSA-N 1 0 377.484 4.137 50 0 GIAARO COc1cccc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000034697780 206305107 /nfs/dbraw/zinc/30/51/07/206305107.db2.gz SNTHEBVKMDAMMN-VWNXMTODSA-N 1 0 392.543 4.345 50 0 GIAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000000934766 206334006 /nfs/dbraw/zinc/33/40/06/206334006.db2.gz ZPIFOWWWLQBUDQ-IBGZPJMESA-N 1 0 385.870 4.445 50 0 GIAARO O[C@H](Cn1c2ccccc2c2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000001514035 206383785 /nfs/dbraw/zinc/38/37/85/206383785.db2.gz NWNMBTJQRYWWPQ-INIZCTEOSA-N 1 0 387.321 4.404 50 0 GIAARO Fc1ccccc1N1CC[NH+](C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000001165887 206361632 /nfs/dbraw/zinc/36/16/32/206361632.db2.gz NUFQCIZPULNKKT-UHFFFAOYSA-N 1 0 387.930 4.266 50 0 GIAARO CCCC[N@H+](CC)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000001778602 206391576 /nfs/dbraw/zinc/39/15/76/206391576.db2.gz QLOVZEHMDFBBJS-AWEZNQCLSA-N 1 0 380.554 4.110 50 0 GIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817701 206682502 /nfs/dbraw/zinc/68/25/02/206682502.db2.gz NNUUXVLGCLCFMP-IYBDPMFKSA-N 1 0 398.576 4.076 50 0 GIAARO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008395344 206750847 /nfs/dbraw/zinc/75/08/47/206750847.db2.gz ARUMYUWLGIWRSA-YLJYHZDGSA-N 1 0 384.520 4.298 50 0 GIAARO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000009996536 206805463 /nfs/dbraw/zinc/80/54/63/206805463.db2.gz RREOJEXSKHPGGL-UHFFFAOYSA-N 1 0 399.579 4.429 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000010214283 206809100 /nfs/dbraw/zinc/80/91/00/206809100.db2.gz MQKOJGCGMWKZFH-HXUWFJFHSA-N 1 0 377.488 4.051 50 0 GIAARO OCCOCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000010435661 206813176 /nfs/dbraw/zinc/81/31/76/206813176.db2.gz BJHFTDPFRNOCMP-UHFFFAOYSA-N 1 0 385.891 4.171 50 0 GIAARO CC(C)C[NH+]1CCC(Oc2cccc(C(=O)NCCc3ccccc3)c2)CC1 ZINC000011878907 206840418 /nfs/dbraw/zinc/84/04/18/206840418.db2.gz VZHGZCCXTQWEKN-UHFFFAOYSA-N 1 0 380.532 4.158 50 0 GIAARO Cc1c(C(=O)NC2CC[NH+](C(C)C)CC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012778426 206936788 /nfs/dbraw/zinc/93/67/88/206936788.db2.gz IQHIGGKCPPYFLF-UHFFFAOYSA-N 1 0 398.532 4.171 50 0 GIAARO COc1ccc2cc(CNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)ccc2c1 ZINC000012758085 206933022 /nfs/dbraw/zinc/93/30/22/206933022.db2.gz ZQRWLDYGVNKQHN-NRFANRHFSA-N 1 0 393.487 4.078 50 0 GIAARO CCCCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013729709 206995393 /nfs/dbraw/zinc/99/53/93/206995393.db2.gz CUEXQPYWDBPFOI-UHFFFAOYSA-N 1 0 381.480 4.133 50 0 GIAARO COCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730739 206995450 /nfs/dbraw/zinc/99/54/50/206995450.db2.gz BEEJDMKCAMEDKP-UHFFFAOYSA-N 1 0 389.087 4.208 50 0 GIAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2ccccc2c1 ZINC000014112718 207010729 /nfs/dbraw/zinc/01/07/29/207010729.db2.gz OTTISADLJBHQTI-MRXNPFEDSA-N 1 0 387.483 4.021 50 0 GIAARO COc1ccc([C@H](CNC(=O)N[C@@H]2CCCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000014123623 207011117 /nfs/dbraw/zinc/01/11/17/207011117.db2.gz YLUVDRNXLYNMLD-PKTZIBPZSA-N 1 0 393.531 4.209 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3ccccc32)[NH+](C)C)cc1 ZINC000014121900 207011440 /nfs/dbraw/zinc/01/14/40/207011440.db2.gz MHMYYWLEBTYYGQ-QHCPKHFHSA-N 1 0 389.499 4.154 50 0 GIAARO CC(C)[NH+]1CCC(NC(=O)CCCSc2nc3ccccc3s2)CC1 ZINC000014186698 207013600 /nfs/dbraw/zinc/01/36/00/207013600.db2.gz GEZPVZFLPDPLSH-UHFFFAOYSA-N 1 0 377.579 4.158 50 0 GIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000014949528 207033172 /nfs/dbraw/zinc/03/31/72/207033172.db2.gz LPTPDCXJDMERPT-GOSISDBHSA-N 1 0 393.512 4.366 50 0 GIAARO CCN(Cc1cnn(C(C)C)c1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000014968654 207035260 /nfs/dbraw/zinc/03/52/60/207035260.db2.gz HYTXEDZJZZZLOV-JOCHJYFZSA-N 1 0 398.595 4.249 50 0 GIAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)cc1C ZINC000014979318 207037098 /nfs/dbraw/zinc/03/70/98/207037098.db2.gz ZYXHNFYOLHYELL-UHFFFAOYSA-N 1 0 384.524 4.022 50 0 GIAARO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cc(C(C)C)no4)C3)C2)c1 ZINC000014980434 207038721 /nfs/dbraw/zinc/03/87/21/207038721.db2.gz CCRDEOWYZOVFDJ-QHCPKHFHSA-N 1 0 381.520 4.235 50 0 GIAARO C[N@@H+]1CCC[C@H](COc2cccc(CN(C(=O)C3CCCCC3)C3CC3)c2)C1 ZINC000014984965 207039523 /nfs/dbraw/zinc/03/95/23/207039523.db2.gz DRLXSSSNSMJJCD-FQEVSTJZSA-N 1 0 384.564 4.479 50 0 GIAARO Cc1ccc(C)c(-n2cc(C[N@@H+]3CCC[C@@H](CO)C3)c(-c3ccccc3)n2)c1 ZINC000015074083 207045209 /nfs/dbraw/zinc/04/52/09/207045209.db2.gz FCIRKEGGDHQIHI-HXUWFJFHSA-N 1 0 375.516 4.360 50 0 GIAARO Fc1ccc(-n2cc(C[NH2+]CCn3cccn3)c(-c3ccccc3Cl)n2)cc1 ZINC000015071184 207045418 /nfs/dbraw/zinc/04/54/18/207045418.db2.gz OUWUEBQHEFMDAK-UHFFFAOYSA-N 1 0 395.869 4.318 50 0 GIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)c(C)c1 ZINC000015078687 207046494 /nfs/dbraw/zinc/04/64/94/207046494.db2.gz RQCALOABTPWURX-LJQANCHMSA-N 1 0 381.520 4.338 50 0 GIAARO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccs1 ZINC000015077043 207047232 /nfs/dbraw/zinc/04/72/32/207047232.db2.gz NVXJFVZAIJHIDG-OAHLLOKOSA-N 1 0 382.451 4.409 50 0 GIAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccsc1 ZINC000015067688 207042267 /nfs/dbraw/zinc/04/22/67/207042267.db2.gz DEVQKDBGHJDGOH-UHFFFAOYSA-N 1 0 380.513 4.172 50 0 GIAARO C/C=C(\C)C[NH+]1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000015064921 207042680 /nfs/dbraw/zinc/04/26/80/207042680.db2.gz BDXJOFRFXQUJFP-QBROUFQSSA-N 1 0 378.516 4.426 50 0 GIAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2c(C)nc3sccn23)C1 ZINC000015074246 207043890 /nfs/dbraw/zinc/04/38/90/207043890.db2.gz DEHPLDBUVATIAC-JOCHJYFZSA-N 1 0 397.544 4.092 50 0 GIAARO Cc1ccc(C)c(-n2cc(C[N@@H+]3CCC[C@H](CO)C3)c(-c3ccccc3)n2)c1 ZINC000015074084 207044188 /nfs/dbraw/zinc/04/41/88/207044188.db2.gz FCIRKEGGDHQIHI-FQEVSTJZSA-N 1 0 375.516 4.360 50 0 GIAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)c1 ZINC000015518394 207050716 /nfs/dbraw/zinc/05/07/16/207050716.db2.gz SOJGSXFXQBWUFR-HXUWFJFHSA-N 1 0 379.456 4.456 50 0 GIAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1noc2c1CSc1ccccc1-2 ZINC000015674034 207054467 /nfs/dbraw/zinc/05/44/67/207054467.db2.gz PKXSFZIJZCBFNF-GJZGRUSLSA-N 1 0 385.533 4.330 50 0 GIAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cccc(C)c2)CC1 ZINC000015679732 207055373 /nfs/dbraw/zinc/05/53/73/207055373.db2.gz NPZZROVLDSIOSA-UHFFFAOYSA-N 1 0 395.503 4.242 50 0 GIAARO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000015961802 207069630 /nfs/dbraw/zinc/06/96/30/207069630.db2.gz WGTJRKGDOHMTBK-KRWDZBQOSA-N 1 0 386.455 4.313 50 0 GIAARO Cc1ccc([C@@H](NC(=O)C[NH2+]CCOc2ccccc2F)c2cccs2)cc1 ZINC000016695456 207076967 /nfs/dbraw/zinc/07/69/67/207076967.db2.gz SMUGCHKCFUUDFY-JOCHJYFZSA-N 1 0 398.503 4.070 50 0 GIAARO C[C@H]([NH2+]Cc1ccccc1OCC(=O)N1CCCC1)c1ccc2c(c1)CCCC2 ZINC000017317351 207089727 /nfs/dbraw/zinc/08/97/27/207089727.db2.gz GUQBEDFIXGKDFC-IBGZPJMESA-N 1 0 392.543 4.417 50 0 GIAARO Fc1ccc(NC(=S)NCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000018198371 207095609 /nfs/dbraw/zinc/09/56/09/207095609.db2.gz LFGMNNGUBSWPFH-UHFFFAOYSA-N 1 0 385.552 4.457 50 0 GIAARO Cc1c[nH]c(CC[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)n1 ZINC000019227326 207109408 /nfs/dbraw/zinc/10/94/08/207109408.db2.gz HMDXNSVTXGXPMB-UHFFFAOYSA-N 1 0 387.487 4.243 50 0 GIAARO COc1ccc(-c2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)cc1 ZINC000019593620 207144390 /nfs/dbraw/zinc/14/43/90/207144390.db2.gz AZPWUHDTXXVKEX-UHFFFAOYSA-N 1 0 393.516 4.174 50 0 GIAARO OCC[C@@H]1CN(Cc2cccc(-c3ccco3)c2)CC[N@@H+]1Cc1cccs1 ZINC000019839685 207166105 /nfs/dbraw/zinc/16/61/05/207166105.db2.gz QCUHDTCFJIXAEB-HXUWFJFHSA-N 1 0 382.529 4.077 50 0 GIAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000019773513 207160999 /nfs/dbraw/zinc/16/09/99/207160999.db2.gz SPDKJAHHONYPBM-QFIPXVFZSA-N 1 0 385.596 4.252 50 0 GIAARO C[NH+]1CCN(CCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000020191296 207181685 /nfs/dbraw/zinc/18/16/85/207181685.db2.gz POTWBOICYBGNOO-UHFFFAOYSA-N 1 0 387.936 4.107 50 0 GIAARO CC1CC[NH+](CCCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020329908 207189132 /nfs/dbraw/zinc/18/91/32/207189132.db2.gz IIBSNMNEMONCSR-UHFFFAOYSA-N 1 0 385.899 4.472 50 0 GIAARO Cc1cc(C)c2c(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc2c1C ZINC000020426965 207192061 /nfs/dbraw/zinc/19/20/61/207192061.db2.gz SNADQLQGRHUAQC-UHFFFAOYSA-N 1 0 376.500 4.036 50 0 GIAARO CCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1Br ZINC000020476698 207195657 /nfs/dbraw/zinc/19/56/57/207195657.db2.gz FXYPGQUOLMXINU-UHFFFAOYSA-N 1 0 394.309 4.197 50 0 GIAARO C[C@@H]1CCc2c(sc3c2CSC(C(=O)NCCC[NH+]2CCCC2)=C3)C1 ZINC000020557733 207202674 /nfs/dbraw/zinc/20/26/74/207202674.db2.gz HMGUEMLEZYKWAF-CQSZACIVSA-N 1 0 376.591 4.063 50 0 GIAARO Cc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)c1 ZINC000020576381 207204241 /nfs/dbraw/zinc/20/42/41/207204241.db2.gz GTWQOUKLVJKXDX-UHFFFAOYSA-N 1 0 381.549 4.163 50 0 GIAARO CC(C)CCOc1ccc([C@@](C)(O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021146403 207226630 /nfs/dbraw/zinc/22/66/30/207226630.db2.gz NKFRRNHHDDWFNN-LOSJGSFVSA-N 1 0 397.559 4.435 50 0 GIAARO CCCCC[C@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170102 207229016 /nfs/dbraw/zinc/22/90/16/207229016.db2.gz RJELKSWVSZXBSD-RPWUZVMVSA-N 1 0 383.532 4.276 50 0 GIAARO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663490 207234028 /nfs/dbraw/zinc/23/40/28/207234028.db2.gz XRELDOLHYDFBCX-IBGZPJMESA-N 1 0 397.588 4.411 50 0 GIAARO CC[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000021714618 207234699 /nfs/dbraw/zinc/23/46/99/207234699.db2.gz MQKMESYDJSIYJV-QGZVFWFLSA-N 1 0 383.471 4.490 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3F)c(C)c2)CC1 ZINC000022320318 207251919 /nfs/dbraw/zinc/25/19/19/207251919.db2.gz YDEUBMTZNGAJKK-UHFFFAOYSA-N 1 0 375.875 4.182 50 0 GIAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)C1 ZINC000021934599 207243022 /nfs/dbraw/zinc/24/30/22/207243022.db2.gz QRBHFCRRFREVOY-SFHVURJKSA-N 1 0 388.515 4.149 50 0 GIAARO Cc1nc2ccccc2nc1C[NH+]1CCC(CO)(CCc2ccccc2)CC1 ZINC000023128561 207270646 /nfs/dbraw/zinc/27/06/46/207270646.db2.gz BPAJHIINGBVBRV-UHFFFAOYSA-N 1 0 375.516 4.146 50 0 GIAARO COc1ccc(CC2(CO)CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000023159630 207271167 /nfs/dbraw/zinc/27/11/67/207271167.db2.gz SJRPAMIJQKCQMQ-UHFFFAOYSA-N 1 0 376.500 4.061 50 0 GIAARO Cc1cc(C)nc(CC[NH2+]C2CCN(c3ccc(-c4ccco4)cc3)CC2)n1 ZINC000023158729 207271234 /nfs/dbraw/zinc/27/12/34/207271234.db2.gz NIKJHLMXECENLF-UHFFFAOYSA-N 1 0 376.504 4.155 50 0 GIAARO Fc1ccccc1-c1noc2c1CN([C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000023358325 207276157 /nfs/dbraw/zinc/27/61/57/207276157.db2.gz YMDIEHZYTDDEKF-GOSISDBHSA-N 1 0 377.463 4.113 50 0 GIAARO Clc1ccc(CN2CCC[C@@H]([NH2+]C3CCN(Cc4ccco4)CC3)C2)cc1 ZINC000023374065 207276593 /nfs/dbraw/zinc/27/65/93/207276593.db2.gz CIXGHXUXIADCEC-OAQYLSRUSA-N 1 0 387.955 4.152 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)COc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000024527364 207291683 /nfs/dbraw/zinc/29/16/83/207291683.db2.gz YYVCVDFNAMUSRA-HXUWFJFHSA-N 1 0 380.513 4.213 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccnc2SC(F)F)cc1 ZINC000024650038 207293105 /nfs/dbraw/zinc/29/31/05/207293105.db2.gz PQEOAIBZTCCGJE-UHFFFAOYSA-N 1 0 379.476 4.168 50 0 GIAARO Cn1cccc1[C@@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000038489747 207308510 /nfs/dbraw/zinc/30/85/10/207308510.db2.gz KCSOJZYTQTWUNX-QGZVFWFLSA-N 1 0 380.414 4.003 50 0 GIAARO O=C(CN1CC[NH+](C2CCCC2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000027118088 207322079 /nfs/dbraw/zinc/32/20/79/207322079.db2.gz LLPQZMYKNQOGNS-UHFFFAOYSA-N 1 0 395.572 4.337 50 0 GIAARO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000027793478 207330895 /nfs/dbraw/zinc/33/08/95/207330895.db2.gz OUGZNIRRPPIZFH-AZUAARDMSA-N 1 0 384.520 4.432 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000027990325 207333244 /nfs/dbraw/zinc/33/32/44/207333244.db2.gz RCAPPHDFNSTYES-IBGZPJMESA-N 1 0 387.321 4.324 50 0 GIAARO CC(C)(C)c1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000028288699 207338956 /nfs/dbraw/zinc/33/89/56/207338956.db2.gz JFGKSBFSAAPUIZ-QFIPXVFZSA-N 1 0 398.522 4.455 50 0 GIAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)c1C ZINC000028289317 207339424 /nfs/dbraw/zinc/33/94/24/207339424.db2.gz YVSPXMMGFDWJOC-NRFANRHFSA-N 1 0 382.548 4.399 50 0 GIAARO CC1CC[NH+]([C@H](CNC(=O)COc2ccc(Cl)cc2)c2cccs2)CC1 ZINC000028291514 207339465 /nfs/dbraw/zinc/33/94/65/207339465.db2.gz KWDUIQVNZPRQGO-GOSISDBHSA-N 1 0 392.952 4.370 50 0 GIAARO CC(C)(C)c1ccc(OCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000028293163 207339945 /nfs/dbraw/zinc/33/99/45/207339945.db2.gz ZQMIYFRSPAAWKD-QFIPXVFZSA-N 1 0 380.532 4.316 50 0 GIAARO Cc1c2cc(Cl)ccc2oc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000040151657 207354225 /nfs/dbraw/zinc/35/42/25/207354225.db2.gz HAHRSJXAPKBANA-UHFFFAOYSA-N 1 0 386.879 4.265 50 0 GIAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000029358403 207360670 /nfs/dbraw/zinc/36/06/70/207360670.db2.gz PXAIFVXJBZWZNF-UHFFFAOYSA-N 1 0 388.515 4.034 50 0 GIAARO O=C(Cn1ccc2ccc(F)cc21)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000032073438 207390508 /nfs/dbraw/zinc/39/05/08/207390508.db2.gz JFYHMQDHYGHLRE-UHFFFAOYSA-N 1 0 393.506 4.199 50 0 GIAARO O=C(Cn1ccc2cc(Cl)ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032093268 207390773 /nfs/dbraw/zinc/39/07/73/207390773.db2.gz OJLBYRXJFHRBPM-UHFFFAOYSA-N 1 0 381.907 4.076 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)CSc1ccncc1)c1ccccc1Cl ZINC000032316057 207395209 /nfs/dbraw/zinc/39/52/09/207395209.db2.gz DBTAQADJKKKIDI-GOSISDBHSA-N 1 0 377.941 4.026 50 0 GIAARO CC(C)Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000032951875 207423781 /nfs/dbraw/zinc/42/37/81/207423781.db2.gz BSHWRGIPSMKSIQ-UHFFFAOYSA-N 1 0 392.609 4.018 50 0 GIAARO COc1ccc(C(=O)N2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697525 207471942 /nfs/dbraw/zinc/47/19/42/207471942.db2.gz GLSKZCSLOVTGBU-FYYLOGMGSA-N 1 0 378.516 4.037 50 0 GIAARO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](C)O)nc(=O)c23)cc1C ZINC000036207569 207516578 /nfs/dbraw/zinc/51/65/78/207516578.db2.gz XAJLMEMLOHEVFM-MRXNPFEDSA-N 1 0 399.560 4.107 50 0 GIAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCc3ccccc3F)c2)cc1 ZINC000040739113 207605680 /nfs/dbraw/zinc/60/56/80/207605680.db2.gz GHVCSAWBXNDDNR-UHFFFAOYSA-N 1 0 392.474 4.484 50 0 GIAARO CC(=O)c1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000072161595 207986663 /nfs/dbraw/zinc/98/66/63/207986663.db2.gz ZWRPOEUNTDLQKF-UHFFFAOYSA-N 1 0 377.406 4.392 50 0 GIAARO CN(Cc1ccco1)c1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072421529 208018430 /nfs/dbraw/zinc/01/84/30/208018430.db2.gz SCJRCRVUEFQCEO-UHFFFAOYSA-N 1 0 382.895 4.029 50 0 GIAARO Cc1cccc2cc(C[N@@H+]3CCC[C@H]3C(N)=O)c(-c3cccc(Cl)c3)nc12 ZINC000072426961 208021377 /nfs/dbraw/zinc/02/13/77/208021377.db2.gz BGQHWQBARBKPEN-IBGZPJMESA-N 1 0 379.891 4.313 50 0 GIAARO COc1ccc2cc(C[N@@H+]3CCC[C@@H]3C(N)=O)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072425697 208022316 /nfs/dbraw/zinc/02/23/16/208022316.db2.gz NTOQSLMKVIGDAD-HXUWFJFHSA-N 1 0 395.890 4.014 50 0 GIAARO O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000072430518 208024417 /nfs/dbraw/zinc/02/44/17/208024417.db2.gz GRWNNBDKDLKBLK-SJORKVTESA-N 1 0 379.891 4.455 50 0 GIAARO Clc1ccccc1C1(c2ccnc(COc3ccccc3)n2)CC[NH2+]CC1 ZINC000072448150 208026984 /nfs/dbraw/zinc/02/69/84/208026984.db2.gz QKSNLSKLZVRDTN-UHFFFAOYSA-N 1 0 379.891 4.379 50 0 GIAARO C[NH+]1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072439576 208027445 /nfs/dbraw/zinc/02/74/45/208027445.db2.gz RHKXBWBPSWVTIH-UHFFFAOYSA-N 1 0 395.890 4.031 50 0 GIAARO CC(=O)N[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3nc2-c2ccc(C)cc2)C1 ZINC000072477948 208033242 /nfs/dbraw/zinc/03/32/42/208033242.db2.gz HKEWAOSEHWFMTF-NRFANRHFSA-N 1 0 377.463 4.060 50 0 GIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(-n3cccn3)c2)cc1 ZINC000077375427 208041904 /nfs/dbraw/zinc/04/19/04/208041904.db2.gz RIELLPPZLCAXQE-HSZRJFAPSA-N 1 0 388.515 4.301 50 0 GIAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(Cl)c1Cl)CC2 ZINC000091535704 208122881 /nfs/dbraw/zinc/12/28/81/208122881.db2.gz XTXYZNUALQAYEC-UHFFFAOYSA-N 1 0 399.362 4.235 50 0 GIAARO CCN1CC2(CC[NH+](Cc3ccccc3F)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091645665 208128843 /nfs/dbraw/zinc/12/88/43/208128843.db2.gz ZMVRIHOWMFMECO-NRFANRHFSA-N 1 0 380.507 4.444 50 0 GIAARO CCCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)o1 ZINC000091677149 208132006 /nfs/dbraw/zinc/13/20/06/208132006.db2.gz MIXSEAMFKNQTRR-UHFFFAOYSA-N 1 0 395.547 4.074 50 0 GIAARO CC(C)CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3occc3c1)CC2 ZINC000091444832 208119790 /nfs/dbraw/zinc/11/97/90/208119790.db2.gz OYZHCVCEEGPGSR-UHFFFAOYSA-N 1 0 378.520 4.161 50 0 GIAARO FC(F)(F)c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 ZINC000095367309 208164477 /nfs/dbraw/zinc/16/44/77/208164477.db2.gz RDSBKUVIVPWHOJ-PKOBYXMFSA-N 1 0 375.438 4.197 50 0 GIAARO Cc1cc(C)c(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000095375765 208169471 /nfs/dbraw/zinc/16/94/71/208169471.db2.gz NNCIIROMNJZXLQ-NRFANRHFSA-N 1 0 377.532 4.040 50 0 GIAARO COc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095377841 208170857 /nfs/dbraw/zinc/17/08/57/208170857.db2.gz YDGVMAZXKVRSIM-WWPVKYPJSA-N 1 0 384.470 4.036 50 0 GIAARO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000095376658 208170922 /nfs/dbraw/zinc/17/09/22/208170922.db2.gz KQCFTNQIPPTXNK-NFBKMPQASA-N 1 0 399.531 4.355 50 0 GIAARO O=C(N[C@H](c1cccnc1)C(F)(F)F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095381529 208171705 /nfs/dbraw/zinc/17/17/05/208171705.db2.gz NBLIRUWQCWVYHL-GOSISDBHSA-N 1 0 377.410 4.101 50 0 GIAARO COc1ccccc1C[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095383134 208172228 /nfs/dbraw/zinc/17/22/28/208172228.db2.gz NYSCXAZAYDYCMV-CDNPAEQRSA-N 1 0 384.470 4.036 50 0 GIAARO Cc1cc(C[N@H+]2CCC[C@H](C)C2)c(C)c(-c2cn(Cc3ccncc3)nn2)c1 ZINC000095384429 208172960 /nfs/dbraw/zinc/17/29/60/208172960.db2.gz VPNJYJFXZNTJEB-KRWDZBQOSA-N 1 0 375.520 4.237 50 0 GIAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@@H]2c2cccc(Cl)c2)C[C@@H]1C ZINC000095451014 208184687 /nfs/dbraw/zinc/18/46/87/208184687.db2.gz XTGAMMLNBCQPQQ-QBRMMOJRSA-N 1 0 392.971 4.290 50 0 GIAARO CC(C)(C)OC(=O)NC1CCC([N@@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000095457123 208186988 /nfs/dbraw/zinc/18/69/88/208186988.db2.gz OUVAOLDTBLTQPQ-MWXLCCTBSA-N 1 0 388.552 4.361 50 0 GIAARO C[C@H](SCc1ccccc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000095481680 208194846 /nfs/dbraw/zinc/19/48/46/208194846.db2.gz IZHZPPYEDXTXRP-KRWDZBQOSA-N 1 0 384.545 4.420 50 0 GIAARO Cc1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)on1 ZINC000095502629 208204597 /nfs/dbraw/zinc/20/45/97/208204597.db2.gz OYESJMUXSVPJPA-NRFANRHFSA-N 1 0 382.552 4.425 50 0 GIAARO CCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[C@H](C)CC ZINC000095945990 208242709 /nfs/dbraw/zinc/24/27/09/208242709.db2.gz ARAXGHLKNIHQOR-OAHLLOKOSA-N 1 0 396.597 4.186 50 0 GIAARO CO[C@@H](C)C(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000095518771 208217379 /nfs/dbraw/zinc/21/73/79/208217379.db2.gz DYECIGLONGASLJ-FQEVSTJZSA-N 1 0 386.580 4.056 50 0 GIAARO Cc1cnccc1C[N@@H+]1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000095522121 208219726 /nfs/dbraw/zinc/21/97/26/208219726.db2.gz WCYJBWODIQGELD-GOSISDBHSA-N 1 0 385.939 4.352 50 0 GIAARO Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)n([C@@H](C)C2CC2)n1 ZINC000096131566 208265580 /nfs/dbraw/zinc/26/55/80/208265580.db2.gz PKRSGHMFGWJXLA-KRWDZBQOSA-N 1 0 381.524 4.080 50 0 GIAARO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc(-c2cccnc2)cc1 ZINC000097033636 208333972 /nfs/dbraw/zinc/33/39/72/208333972.db2.gz GDQUVTHQVGFFEM-HNNXBMFYSA-N 1 0 392.528 4.373 50 0 GIAARO O=c1[nH]c2cc3c(cc2c(-c2ccc(Cl)cc2)c1C[NH+]1CCCC1)OCCO3 ZINC000098086843 208366744 /nfs/dbraw/zinc/36/67/44/208366744.db2.gz VKSCNTQJXQSFCF-UHFFFAOYSA-N 1 0 396.874 4.216 50 0 GIAARO O[C@@H](C[NH2+]CCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc21 ZINC000101102775 208386585 /nfs/dbraw/zinc/38/65/85/208386585.db2.gz LJWMTSMUQJNHOC-IBGZPJMESA-N 1 0 383.495 4.469 50 0 GIAARO O=C(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000002639137 208504843 /nfs/dbraw/zinc/50/48/43/208504843.db2.gz FOTNOSZTKHTRLJ-QFIPXVFZSA-N 1 0 381.516 4.360 50 0 GIAARO CC[NH+]1CCN([C@H](C)CNc2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC000059389328 209000670 /nfs/dbraw/zinc/00/06/70/209000670.db2.gz HJWAVNIRWJUQGG-QGZVFWFLSA-N 1 0 395.576 4.105 50 0 GIAARO CC[NH+]1CCN([C@@H](C)CNc2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC000059389326 209001194 /nfs/dbraw/zinc/00/11/94/209001194.db2.gz HJWAVNIRWJUQGG-KRWDZBQOSA-N 1 0 395.576 4.105 50 0 GIAARO C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(Cc1cccs1)CCO2 ZINC000299793338 209090735 /nfs/dbraw/zinc/09/07/35/209090735.db2.gz IRPRPARYOLJGHY-UHFFFAOYSA-N 1 0 393.556 4.212 50 0 GIAARO O[C@@]1(c2ccccc2)CC[N@H+](CCn2cnc3ccccc32)[C@H]2CCCC[C@@H]21 ZINC000243893544 209022153 /nfs/dbraw/zinc/02/21/53/209022153.db2.gz ARWZBBIJFZETGE-ODGPQVTHSA-N 1 0 375.516 4.189 50 0 GIAARO Cc1ccccc1Cn1nc(C[NH2+]C[C@@H](O)c2ccccc2)c(-c2ccccc2)n1 ZINC000248156918 209029165 /nfs/dbraw/zinc/02/91/65/209029165.db2.gz MFIACVHJRXGHMY-XMMPIXPASA-N 1 0 398.510 4.125 50 0 GIAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)cc1C ZINC000247962335 209029428 /nfs/dbraw/zinc/02/94/28/209029428.db2.gz FPHVDCOOSUBXBN-GOSISDBHSA-N 1 0 376.504 4.041 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)nc2ccccc21 ZINC000248007722 209029703 /nfs/dbraw/zinc/02/97/03/209029703.db2.gz WEEHETLVLVTAFM-SFHVURJKSA-N 1 0 376.504 4.215 50 0 GIAARO Cc1nc(-c2cccc(F)c2)sc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252570419 209036467 /nfs/dbraw/zinc/03/64/67/209036467.db2.gz WSIKHYPDAXUZNE-SJLPKXTDSA-N 1 0 387.524 4.252 50 0 GIAARO Fc1cccc(C[NH2+]Cc2cc3ccc(Cl)cc3nc2N2CCOCC2)c1 ZINC000299789791 209089184 /nfs/dbraw/zinc/08/91/84/209089184.db2.gz AYIMMRGAFOVDIL-UHFFFAOYSA-N 1 0 385.870 4.154 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cn2cnc3ccccc32)cc1)c1ccccc1 ZINC000012553705 221205779 /nfs/dbraw/zinc/20/57/79/221205779.db2.gz MXCLIXUFXLODMC-DEOSSOPVSA-N 1 0 398.510 4.117 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860311 221348914 /nfs/dbraw/zinc/34/89/14/221348914.db2.gz NMXUWIDIMJTUAI-NRFANRHFSA-N 1 0 384.520 4.173 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000015859702 221348930 /nfs/dbraw/zinc/34/89/30/221348930.db2.gz AKCPHWPGLKRKSK-SFHVURJKSA-N 1 0 381.501 4.360 50 0 GIAARO CCCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000040103966 132396035 /nfs/dbraw/zinc/39/60/35/132396035.db2.gz FQNZIGFLQAOWPK-UHFFFAOYSA-N 1 0 380.536 4.273 50 0 GIAARO Cc1cc(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)oc1C ZINC000072411299 136169681 /nfs/dbraw/zinc/16/96/81/136169681.db2.gz GRDPWONQCPDGFA-UHFFFAOYSA-N 1 0 376.504 4.475 50 0 GIAARO c1nc2ccccc2n1-c1ccc(N2CCC([NH2+]CC3CCOCC3)CC2)cc1 ZINC000082039470 136173279 /nfs/dbraw/zinc/17/32/79/136173279.db2.gz MLGHLIVTSFHCJZ-UHFFFAOYSA-N 1 0 390.531 4.011 50 0 GIAARO C[NH+]1CCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000012747746 136200618 /nfs/dbraw/zinc/20/06/18/136200618.db2.gz AGAGTXPZXJKLEH-VAWYXSNFSA-N 1 0 390.556 4.492 50 0 GIAARO CC[NH+](CC)CCNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261492441 209080790 /nfs/dbraw/zinc/08/07/90/209080790.db2.gz XPPHPADSDBJRGQ-UHFFFAOYSA-N 1 0 397.954 4.078 50 0 GIAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cccc(-c2ccccn2)c1 ZINC000299755224 209082804 /nfs/dbraw/zinc/08/28/04/209082804.db2.gz BRDMFCVYVJIYBM-HSZRJFAPSA-N 1 0 389.474 4.455 50 0 GIAARO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)Nc1ccc(F)cc1Cl ZINC000299764857 209084823 /nfs/dbraw/zinc/08/48/23/209084823.db2.gz NPMOZYSYYZKCDS-GOSISDBHSA-N 1 0 376.863 4.223 50 0 GIAARO Fc1ccc(OCc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cc1 ZINC000299769081 209085626 /nfs/dbraw/zinc/08/56/26/209085626.db2.gz IXZSQEMRSHDNQA-ZCNNSNEGSA-N 1 0 379.435 4.481 50 0 GIAARO Cc1cc(-c2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)c2)nc2cc(F)ccc12 ZINC000299780721 209086901 /nfs/dbraw/zinc/08/69/01/209086901.db2.gz BHHSGZIAJBBFPM-IBGZPJMESA-N 1 0 377.463 4.125 50 0 GIAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N(Cc1ccco1)Cc1ccncc1 ZINC000426399253 534445590 /nfs/dbraw/zinc/44/55/90/534445590.db2.gz PVJRTHARSSNWIL-RBBKRZOGSA-N 1 0 381.520 4.248 50 0 GIAARO CC[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1-c1c(C)cc(C)cc1C ZINC000025179119 522842403 /nfs/dbraw/zinc/84/24/03/522842403.db2.gz PJRZHGASPOFLPK-HXUWFJFHSA-N 1 0 388.519 4.352 50 0 GIAARO CCOC(=O)CCC[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000241644400 528717252 /nfs/dbraw/zinc/71/72/52/528717252.db2.gz PQKXOSUMEAPJEJ-DLVCFXQMSA-N 1 0 382.495 4.200 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000040103950 535754676 /nfs/dbraw/zinc/75/46/76/535754676.db2.gz NGZSPROYOOUMPZ-KRWDZBQOSA-N 1 0 384.499 4.193 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1sccc1Br ZINC000047860524 570215755 /nfs/dbraw/zinc/21/57/55/570215755.db2.gz CZEQGINECPIIDC-UHFFFAOYSA-N 1 0 379.323 4.036 50 0 GIAARO C[NH+](C)CCN(C(=O)/C=C/c1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000005121739 570274321 /nfs/dbraw/zinc/27/43/21/570274321.db2.gz MMVDZFJJORRQFU-CMDGGOBGSA-N 1 0 387.455 4.183 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000012873901 570274366 /nfs/dbraw/zinc/27/43/66/570274366.db2.gz MXBGTJDQXRKVFJ-LJQANCHMSA-N 1 0 393.512 4.033 50 0 GIAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)[N@H+](Cc1cccc(F)c1)CC2 ZINC000006576854 570277654 /nfs/dbraw/zinc/27/76/54/570277654.db2.gz ORZUIMGMXAQGPX-PTUXOGIPSA-N 1 0 383.463 4.423 50 0 GIAARO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000000644772 570279980 /nfs/dbraw/zinc/27/99/80/570279980.db2.gz ZRYNHKXBRUGMEP-HXUWFJFHSA-N 1 0 375.492 4.011 50 0 GIAARO CC[NH+](CC)[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000002500447 570288916 /nfs/dbraw/zinc/28/89/16/570288916.db2.gz NPKQMNSCEOXHMN-FCHUYYIVSA-N 1 0 380.513 4.256 50 0 GIAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1ccc(Cl)cc1F ZINC000002514750 570289258 /nfs/dbraw/zinc/28/92/58/570289258.db2.gz BXEQHWYSNSOZKP-UHFFFAOYSA-N 1 0 389.854 4.049 50 0 GIAARO COc1ccc(NC(=O)COc2ccc(C[NH2+]C3CCCCC3)cc2OC)cc1 ZINC000002740969 570297191 /nfs/dbraw/zinc/29/71/91/570297191.db2.gz URULSOGMYXFSAT-UHFFFAOYSA-N 1 0 398.503 4.144 50 0 GIAARO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)c1 ZINC000034684716 570301759 /nfs/dbraw/zinc/30/17/59/570301759.db2.gz UFUHMVYZXHFLID-UHFFFAOYSA-N 1 0 399.538 4.247 50 0 GIAARO CCN(CC)C(=O)c1cccc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)c1 ZINC000034684984 570301770 /nfs/dbraw/zinc/30/17/70/570301770.db2.gz FDBXALQRHBQGQW-UHFFFAOYSA-N 1 0 392.543 4.291 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069873518 570311293 /nfs/dbraw/zinc/31/12/93/570311293.db2.gz ZBCXYZWMEIHNOF-NRFANRHFSA-N 1 0 388.515 4.307 50 0 GIAARO Cc1cc(NC(=O)CN(C)Cc2cccc(F)c2)n(-c2cc(C)ccc2C)n1 ZINC000012946246 570317013 /nfs/dbraw/zinc/31/70/13/570317013.db2.gz RUEPLASTHGGEBT-UHFFFAOYSA-N 1 0 380.467 4.007 50 0 GIAARO CC[NH+](CC)C[C@@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 ZINC000006382413 570322376 /nfs/dbraw/zinc/32/23/76/570322376.db2.gz XSDQXSJOBJRTEA-IBGZPJMESA-N 1 0 385.464 4.194 50 0 GIAARO COc1cc(C[NH2+]CCCOc2ccccn2)ccc1OCc1ccccc1F ZINC000113397026 570331309 /nfs/dbraw/zinc/33/13/09/570331309.db2.gz PQHCLGJOCLEPLZ-UHFFFAOYSA-N 1 0 396.462 4.367 50 0 GIAARO CCCOc1c(Cl)cc(C[NH2+]CCCOc2ccccn2)cc1OCC ZINC000113396684 570331562 /nfs/dbraw/zinc/33/15/62/570331562.db2.gz WCTSETZVGFMJRG-UHFFFAOYSA-N 1 0 378.900 4.481 50 0 GIAARO CC[N@@H+](Cc1ccc(OC)c(F)c1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247882527 570340281 /nfs/dbraw/zinc/34/02/81/570340281.db2.gz JSTULRYVORSFOB-UGKGYDQZSA-N 1 0 387.495 4.111 50 0 GIAARO O[C@@H](COc1ccc2ccccc2c1Cl)C[NH+]1CCN(c2ccccc2)CC1 ZINC000023230182 570351323 /nfs/dbraw/zinc/35/13/23/570351323.db2.gz PWDODLZUYVCWJM-HXUWFJFHSA-N 1 0 396.918 4.055 50 0 GIAARO O[C@@H](c1cc2n(n1)CCC[N@@H+](C1CCc3ccccc3CC1)C2)c1ccccc1 ZINC000219344980 570356152 /nfs/dbraw/zinc/35/61/52/570356152.db2.gz YNYDQLSCCXNTDW-RUZDIDTESA-N 1 0 387.527 4.118 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Br)c1cc2ccccc2o1 ZINC000575620191 570369160 /nfs/dbraw/zinc/36/91/60/570369160.db2.gz IYEPYXQZGVUCRC-INIZCTEOSA-N 1 0 387.277 4.228 50 0 GIAARO CC(C)[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(F)c1 ZINC000004924034 570370399 /nfs/dbraw/zinc/37/03/99/570370399.db2.gz YOQAXYYYVLHODR-NRFANRHFSA-N 1 0 390.499 4.449 50 0 GIAARO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000178677070 570386873 /nfs/dbraw/zinc/38/68/73/570386873.db2.gz BUVZDZTVAQKFHF-CQSZACIVSA-N 1 0 383.492 4.391 50 0 GIAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000004657434 570390040 /nfs/dbraw/zinc/39/00/40/570390040.db2.gz MOEKMPUCMOSHRD-UHFFFAOYSA-N 1 0 396.959 4.455 50 0 GIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000004666464 570391206 /nfs/dbraw/zinc/39/12/06/570391206.db2.gz NIWIEWCTXORSDH-UHFFFAOYSA-N 1 0 388.895 4.020 50 0 GIAARO O=C(NC[C@@H]1CCCO1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004699822 570394543 /nfs/dbraw/zinc/39/45/43/570394543.db2.gz PHJYKXXIZPYXOQ-DEOSSOPVSA-N 1 0 392.543 4.050 50 0 GIAARO CC[NH+](CC)C[C@@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 ZINC000005015101 570396269 /nfs/dbraw/zinc/39/62/69/570396269.db2.gz XYEXGCQCDHETHC-HXUWFJFHSA-N 1 0 394.515 4.223 50 0 GIAARO CC[NH+](CC)C[C@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 ZINC000005015096 570396516 /nfs/dbraw/zinc/39/65/16/570396516.db2.gz XYEXGCQCDHETHC-FQEVSTJZSA-N 1 0 394.515 4.223 50 0 GIAARO CSc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1 ZINC000004723242 570397763 /nfs/dbraw/zinc/39/77/63/570397763.db2.gz YAYSZURNRPQFTO-NRFANRHFSA-N 1 0 380.557 4.205 50 0 GIAARO O=C(c1ccccc1SCc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000004850847 570411916 /nfs/dbraw/zinc/41/19/16/570411916.db2.gz YPTYJHICRWZHJW-UHFFFAOYSA-N 1 0 389.524 4.336 50 0 GIAARO C[NH+]1CCC(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000005048593 570426226 /nfs/dbraw/zinc/42/62/26/570426226.db2.gz GDTWWRLSDFCIHS-UHFFFAOYSA-N 1 0 379.891 4.379 50 0 GIAARO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@H]1CCc2ccccc21 ZINC000029484733 570474744 /nfs/dbraw/zinc/47/47/44/570474744.db2.gz CKGUJPRVWLZXFV-QHCPKHFHSA-N 1 0 399.494 4.497 50 0 GIAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccccc1F)CC2 ZINC000006576869 570480969 /nfs/dbraw/zinc/48/09/69/570480969.db2.gz QYCGHCGVHINPBT-YSZBQJHXSA-N 1 0 383.463 4.423 50 0 GIAARO CC(C)(CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000006883135 570498344 /nfs/dbraw/zinc/49/83/44/570498344.db2.gz PSZPGFCHNGZSNZ-UHFFFAOYSA-N 1 0 382.273 4.028 50 0 GIAARO Cc1ccc2occ(CN3CC[N@@H+]4CCC[C@H]4[C@H]3C3CCCCC3)c(=O)c2c1 ZINC000584904399 570504836 /nfs/dbraw/zinc/50/48/36/570504836.db2.gz CQCLHXBXXLTALA-JTHBVZDNSA-N 1 0 380.532 4.330 50 0 GIAARO C[N@@H+]1CCC[C@H](COC(=O)C2=COCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078989027 570509585 /nfs/dbraw/zinc/50/95/85/570509585.db2.gz PHDMIIJYZMKZBC-QAPCUYQASA-N 1 0 383.410 4.326 50 0 GIAARO CCCCN(CCCC)C(=O)C[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000072305006 570515164 /nfs/dbraw/zinc/51/51/64/570515164.db2.gz ZLKXEWNBEQTOHY-UHFFFAOYSA-N 1 0 388.600 4.049 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000036031204 570517700 /nfs/dbraw/zinc/51/77/00/570517700.db2.gz DIQRIDONUYUMSU-QFIPXVFZSA-N 1 0 377.484 4.137 50 0 GIAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000011093912 570518140 /nfs/dbraw/zinc/51/81/40/570518140.db2.gz LDZSSGMLTLMTFJ-DJJJIMSYSA-N 1 0 390.430 4.050 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2Cc3ccccc3S2)c2cccs2)CC1 ZINC000022681484 570519026 /nfs/dbraw/zinc/51/90/26/570519026.db2.gz WUVUZYDPPBWKDP-PXNSSMCTSA-N 1 0 386.586 4.354 50 0 GIAARO CCOc1ccc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc1 ZINC000033115219 570520582 /nfs/dbraw/zinc/52/05/82/570520582.db2.gz GSEOKPDUTFOFNT-UHFFFAOYSA-N 1 0 385.533 4.311 50 0 GIAARO Cc1cc(C)cc(OCCC(=O)N2CCc3c2cccc3C[NH+]2CCCC2)c1 ZINC000072306391 570524229 /nfs/dbraw/zinc/52/42/29/570524229.db2.gz XEUITRYKHJZPNQ-UHFFFAOYSA-N 1 0 378.516 4.257 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008326313 570528198 /nfs/dbraw/zinc/52/81/98/570528198.db2.gz VQIZUNSTFSWHDE-KRWDZBQOSA-N 1 0 382.273 4.028 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008337060 570528777 /nfs/dbraw/zinc/52/87/77/570528777.db2.gz YOWKFOCDMUXNPA-MRXNPFEDSA-N 1 0 384.303 4.442 50 0 GIAARO C[NH2+]CCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008377222 570530184 /nfs/dbraw/zinc/53/01/84/570530184.db2.gz JPVHAUXSZCMXHP-UHFFFAOYSA-N 1 0 383.319 4.280 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2C)c1 ZINC000036098282 570536597 /nfs/dbraw/zinc/53/65/97/570536597.db2.gz SAYOMAQLGFWYRN-QHCPKHFHSA-N 1 0 391.511 4.446 50 0 GIAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099024 570537200 /nfs/dbraw/zinc/53/72/00/570537200.db2.gz ZABMFINZWNWVCH-QFIPXVFZSA-N 1 0 387.495 4.149 50 0 GIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)s1 ZINC000036101531 570538600 /nfs/dbraw/zinc/53/86/00/570538600.db2.gz GSRUSYXCIWQUQK-IBGZPJMESA-N 1 0 389.492 4.369 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)cc1 ZINC000036102368 570539166 /nfs/dbraw/zinc/53/91/66/570539166.db2.gz ONBBFZJNBORZRO-HSZRJFAPSA-N 1 0 379.475 4.440 50 0 GIAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)cc1 ZINC000036102522 570539423 /nfs/dbraw/zinc/53/94/23/570539423.db2.gz KJFIXVHMSWSRQV-JOCHJYFZSA-N 1 0 395.474 4.276 50 0 GIAARO O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102634 570539671 /nfs/dbraw/zinc/53/96/71/570539671.db2.gz AJVQYVKHJHPSNM-HXUWFJFHSA-N 1 0 387.426 4.138 50 0 GIAARO CCc1cccc2c([C@@H](CC(=O)NCC[NH+](C)C)c3ccccc3)cn(CC)c21 ZINC000006724859 570552754 /nfs/dbraw/zinc/55/27/54/570552754.db2.gz ZFCQTKPWHWLSHA-QFIPXVFZSA-N 1 0 391.559 4.423 50 0 GIAARO Cc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccc(OC(C)C)cc3)CC2)c1 ZINC000064818040 570553378 /nfs/dbraw/zinc/55/33/78/570553378.db2.gz HPRPVBFHXWODFN-UHFFFAOYSA-N 1 0 378.516 4.231 50 0 GIAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511222 570554124 /nfs/dbraw/zinc/55/41/24/570554124.db2.gz PFRNYTSCACLBBY-MRXNPFEDSA-N 1 0 387.281 4.473 50 0 GIAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+](C)C)c1ccccc1S2 ZINC000004325892 570566878 /nfs/dbraw/zinc/56/68/78/570566878.db2.gz LVZYLABPFZAZDY-UHFFFAOYSA-N 1 0 385.489 4.336 50 0 GIAARO Cc1c2c(nn1-c1ccc(C)cc1)c(SCC[NH+]1CCCCC1)nnc2C ZINC000036646299 570567348 /nfs/dbraw/zinc/56/73/48/570567348.db2.gz AKKUVANKDOOCNQ-UHFFFAOYSA-N 1 0 381.549 4.319 50 0 GIAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccc(Cl)cc1 ZINC000010313987 570568345 /nfs/dbraw/zinc/56/83/45/570568345.db2.gz PVPWHIXHOCYTPO-UHFFFAOYSA-N 1 0 385.895 4.304 50 0 GIAARO OCCOCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000010435660 570570040 /nfs/dbraw/zinc/57/00/40/570570040.db2.gz IAKYOXJVUVDWGX-UHFFFAOYSA-N 1 0 385.891 4.171 50 0 GIAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000011753572 570580949 /nfs/dbraw/zinc/58/09/49/570580949.db2.gz YRCIMTLLYIXAQJ-FQEVSTJZSA-N 1 0 378.516 4.468 50 0 GIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000011763562 570581418 /nfs/dbraw/zinc/58/14/18/570581418.db2.gz FYFGVQHSDHQMIL-MEDHRJKHSA-N 1 0 383.463 4.451 50 0 GIAARO Cc1ccc2nc(OCc3cccc(F)c3)c(C[NH2+]CC3(C)COC3)cc2c1 ZINC000011790378 570582852 /nfs/dbraw/zinc/58/28/52/570582852.db2.gz GAUCKBGQPIVZOQ-UHFFFAOYSA-N 1 0 380.463 4.387 50 0 GIAARO O=C(c1cc(F)ccc1F)[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000011813513 570583357 /nfs/dbraw/zinc/58/33/57/570583357.db2.gz QECSCMHZTSPKLD-KRWDZBQOSA-N 1 0 381.426 4.245 50 0 GIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cccn3-c3cccnc3)c2C)cc1 ZINC000011822127 570586105 /nfs/dbraw/zinc/58/61/05/570586105.db2.gz JBBOYVINTYTFQM-QGZVFWFLSA-N 1 0 387.487 4.226 50 0 GIAARO CN(C(=O)CCCc1cccs1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011843368 570587835 /nfs/dbraw/zinc/58/78/35/570587835.db2.gz IJGKCPLAPQHWEM-FQEVSTJZSA-N 1 0 382.573 4.161 50 0 GIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1C1CCSCC1 ZINC000011872986 570589584 /nfs/dbraw/zinc/58/95/84/570589584.db2.gz GXCZEFKOEAFQLH-LJQANCHMSA-N 1 0 383.517 4.172 50 0 GIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)cc1F ZINC000011938239 570594862 /nfs/dbraw/zinc/59/48/62/570594862.db2.gz CNRNADPASCPVCZ-SFHVURJKSA-N 1 0 393.462 4.115 50 0 GIAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1ccc2[nH]ccc2c1 ZINC000012005076 570598385 /nfs/dbraw/zinc/59/83/85/570598385.db2.gz RRCKJZNYSAADHE-UHFFFAOYSA-N 1 0 393.506 4.334 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000012022365 570598813 /nfs/dbraw/zinc/59/88/13/570598813.db2.gz MYAGBISXZVERBS-UHFFFAOYSA-N 1 0 383.488 4.007 50 0 GIAARO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000012031085 570599997 /nfs/dbraw/zinc/59/99/97/570599997.db2.gz CZSPWAXBDHFJTO-XMMPIXPASA-N 1 0 378.516 4.018 50 0 GIAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CC1CCCCC1 ZINC000012053527 570601306 /nfs/dbraw/zinc/60/13/06/570601306.db2.gz IMUGTJIUDPBZMC-QGZVFWFLSA-N 1 0 392.927 4.120 50 0 GIAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccc(C)c4)C3)C2=O)c1 ZINC000012054479 570601597 /nfs/dbraw/zinc/60/15/97/570601597.db2.gz GDEFETOAPWCTNK-DEOSSOPVSA-N 1 0 378.516 4.018 50 0 GIAARO CCOc1ccc([C@@]2(O)[C@@H](C)N3CCCCCC3=[N+]2c2ccc(OC)cc2)cc1 ZINC000005466012 570602799 /nfs/dbraw/zinc/60/27/99/570602799.db2.gz YBHKQIKLDVCVJM-KOSHJBKYSA-N 1 0 395.523 4.133 50 0 GIAARO C[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307121 570604160 /nfs/dbraw/zinc/60/41/60/570604160.db2.gz ACSAVJNEIAABTA-MRXNPFEDSA-N 1 0 395.478 4.364 50 0 GIAARO O=C(NC[C@H]1CCC[N@@H+](C2CCSCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000012074015 570604830 /nfs/dbraw/zinc/60/48/30/570604830.db2.gz FAZHIVOONRPEBK-CQSZACIVSA-N 1 0 386.483 4.043 50 0 GIAARO Cc1cccc(COc2ccc(Br)cc2CNCCC[NH+](C)C)c1 ZINC000040720377 570605207 /nfs/dbraw/zinc/60/52/07/570605207.db2.gz DYRHWSVKOUSOIH-UHFFFAOYSA-N 1 0 391.353 4.378 50 0 GIAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CCN2CCOCC2)c1 ZINC000040720767 570605897 /nfs/dbraw/zinc/60/58/97/570605897.db2.gz JREPHKQZDYYXFU-UHFFFAOYSA-N 1 0 390.527 4.149 50 0 GIAARO Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]C(C)(C)CO)cc1 ZINC000040736244 570609913 /nfs/dbraw/zinc/60/99/13/570609913.db2.gz HETMOTKPXNOCMG-UHFFFAOYSA-N 1 0 392.499 4.026 50 0 GIAARO CCOc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1c(F)cccc1Cl ZINC000040737319 570610320 /nfs/dbraw/zinc/61/03/20/570610320.db2.gz LISSFKYPQKLEJK-UHFFFAOYSA-N 1 0 381.875 4.317 50 0 GIAARO COc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccccc1C ZINC000040742484 570612111 /nfs/dbraw/zinc/61/21/11/570612111.db2.gz ZYDDNFAGPRYPEF-UHFFFAOYSA-N 1 0 377.912 4.488 50 0 GIAARO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040742849 570612224 /nfs/dbraw/zinc/61/22/24/570612224.db2.gz UNBLBBFQPUGWNX-UHFFFAOYSA-N 1 0 390.911 4.420 50 0 GIAARO C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000040744044 570613598 /nfs/dbraw/zinc/61/35/98/570613598.db2.gz KSSDJLWWOIXIPE-GFCCVEGCSA-N 1 0 384.701 4.152 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3cccc(OC)c3)=NN12 ZINC000005500172 570614777 /nfs/dbraw/zinc/61/47/77/570614777.db2.gz WUYTUXQHKHIYLL-JOCHJYFZSA-N 1 0 391.515 4.359 50 0 GIAARO CC(C)[N@H+](C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340962 570625375 /nfs/dbraw/zinc/62/53/75/570625375.db2.gz VIGRXVIHBNIASE-FQEVSTJZSA-N 1 0 387.886 4.497 50 0 GIAARO CCCCc1nc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c[nH]1 ZINC000012317108 570641722 /nfs/dbraw/zinc/64/17/22/570641722.db2.gz OMMLCHIHEFZWIF-FQEVSTJZSA-N 1 0 386.559 4.278 50 0 GIAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OCC)cc2)oc1C ZINC000012373154 570648123 /nfs/dbraw/zinc/64/81/23/570648123.db2.gz HGIIWPLFGGIZCO-SFHVURJKSA-N 1 0 386.492 4.356 50 0 GIAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccoc1 ZINC000012385258 570650295 /nfs/dbraw/zinc/65/02/95/570650295.db2.gz VZJUJSURTLWWJZ-UHFFFAOYSA-N 1 0 394.437 4.325 50 0 GIAARO CC1(C)CC(Nc2nccc(-c3cnn(-c4ccccc4)c3)n2)CC(C)(C)[NH2+]1 ZINC000048148170 570655541 /nfs/dbraw/zinc/65/55/41/570655541.db2.gz ONNWSKBCFIUONC-UHFFFAOYSA-N 1 0 376.508 4.050 50 0 GIAARO OC[C@]1(CCCc2ccccc2)CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000012431687 570660221 /nfs/dbraw/zinc/66/02/21/570660221.db2.gz BZAVQVAXPIHWGT-JOCHJYFZSA-N 1 0 381.545 4.289 50 0 GIAARO CCn1cc(C[NH+]2CCC(C(=O)NC(C)(C)CC)CC2)c2cc(OC)ccc21 ZINC000065059995 570667907 /nfs/dbraw/zinc/66/79/07/570667907.db2.gz TVOBPENCMQFZAY-UHFFFAOYSA-N 1 0 385.552 4.187 50 0 GIAARO COc1ccccc1/C=C/C[N@H+]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000012450862 570668189 /nfs/dbraw/zinc/66/81/89/570668189.db2.gz VRERAQPZHXSBOB-RMKNXTFCSA-N 1 0 384.907 4.096 50 0 GIAARO OC[C@@]1(CCCc2ccccc2)CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012466257 570671746 /nfs/dbraw/zinc/67/17/46/570671746.db2.gz CWGNUBUEEUPDHG-DEOSSOPVSA-N 1 0 381.516 4.055 50 0 GIAARO COc1cccc(COC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000060350562 570672464 /nfs/dbraw/zinc/67/24/64/570672464.db2.gz BNZJLDUSPUECSN-FQEVSTJZSA-N 1 0 393.405 4.193 50 0 GIAARO Cc1ccc(-c2cnn3c2nc(C)cc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054219938 570676762 /nfs/dbraw/zinc/67/67/62/570676762.db2.gz QLMLMAHCEYJWLB-UHFFFAOYSA-N 1 0 397.526 4.335 50 0 GIAARO c1cn(CCCCOc2ccccc2C[N@@H+]2CCC[C@H]2c2ccccn2)cn1 ZINC000055108528 570683510 /nfs/dbraw/zinc/68/35/10/570683510.db2.gz BKGPERSHHRGXKF-QFIPXVFZSA-N 1 0 376.504 4.474 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccccc3OC)C2)cc1 ZINC000055182675 570686192 /nfs/dbraw/zinc/68/61/92/570686192.db2.gz XCWSIAIDLSAODY-NRFANRHFSA-N 1 0 382.548 4.090 50 0 GIAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000155388260 570686357 /nfs/dbraw/zinc/68/63/57/570686357.db2.gz OFNGQTUXXAYQCQ-AWEZNQCLSA-N 1 0 383.879 4.437 50 0 GIAARO Cc1c(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)[nH]c2c1c(C)ccc2C ZINC000012589832 570686714 /nfs/dbraw/zinc/68/67/14/570686714.db2.gz BIXWWIHVINHUGK-XMMPIXPASA-N 1 0 379.548 4.431 50 0 GIAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000012596365 570689030 /nfs/dbraw/zinc/68/90/30/570689030.db2.gz HRLIWRVOTBGRQR-KRWDZBQOSA-N 1 0 398.478 4.494 50 0 GIAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000012596369 570689097 /nfs/dbraw/zinc/68/90/97/570689097.db2.gz HRLIWRVOTBGRQR-QGZVFWFLSA-N 1 0 398.478 4.494 50 0 GIAARO COCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012613056 570691156 /nfs/dbraw/zinc/69/11/56/570691156.db2.gz FRLOEZNHZGXVFZ-UHFFFAOYSA-N 1 0 375.472 4.423 50 0 GIAARO CSc1ccc(CN(C(=O)c2ccc(CC[NH+]3CCCC3)nc2)C2CC2)cc1 ZINC000055357993 570692210 /nfs/dbraw/zinc/69/22/10/570692210.db2.gz JIDIVRQYKQSPOT-UHFFFAOYSA-N 1 0 395.572 4.247 50 0 GIAARO OCC1(CCCc2ccccc2)CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000012704031 570699364 /nfs/dbraw/zinc/69/93/64/570699364.db2.gz VUSYVOORRSKELT-UHFFFAOYSA-N 1 0 389.543 4.470 50 0 GIAARO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)C3CCCCC3)nc21 ZINC000004359267 570701199 /nfs/dbraw/zinc/70/11/99/570701199.db2.gz XVRHPKTZSGTMHD-UHFFFAOYSA-N 1 0 375.538 4.170 50 0 GIAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](C4CCOCC4)CC3)c2)c1 ZINC000012710186 570702044 /nfs/dbraw/zinc/70/20/44/570702044.db2.gz VDASCPNVLSZRMP-UHFFFAOYSA-N 1 0 394.515 4.192 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(NC(=O)c2ccco2)c1)C1CCCCC1 ZINC000058156355 570711268 /nfs/dbraw/zinc/71/12/68/570711268.db2.gz NKQCFRBJDKGDQA-LJQANCHMSA-N 1 0 398.507 4.164 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)c1cccs1 ZINC000012788237 570712856 /nfs/dbraw/zinc/71/28/56/570712856.db2.gz FJOITVXSHADTAQ-HNNXBMFYSA-N 1 0 392.322 4.025 50 0 GIAARO CC(C)([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000058175122 570715789 /nfs/dbraw/zinc/71/57/89/570715789.db2.gz RVGKVHZWSIZJOE-UHFFFAOYSA-N 1 0 380.275 4.166 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)Cc1ccccc1 ZINC000012798894 570717196 /nfs/dbraw/zinc/71/71/96/570717196.db2.gz MFRAURFGDVVZOH-OAHLLOKOSA-N 1 0 395.728 4.005 50 0 GIAARO C[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)CCCc2ccccc21 ZINC000058423944 570732542 /nfs/dbraw/zinc/73/25/42/570732542.db2.gz VDZLSSMIDBFDEK-DEOSSOPVSA-N 1 0 380.507 4.201 50 0 GIAARO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000012995011 570739488 /nfs/dbraw/zinc/73/94/88/570739488.db2.gz MMROFVRZPUSNOQ-NRFANRHFSA-N 1 0 396.487 4.038 50 0 GIAARO CCC[NH+]1CCN(CC(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC000025539834 570758622 /nfs/dbraw/zinc/75/86/22/570758622.db2.gz OCEXHADHNOWMBG-UHFFFAOYSA-N 1 0 397.588 4.421 50 0 GIAARO Cc1cccc(C[N@@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c1 ZINC000065257942 570759407 /nfs/dbraw/zinc/75/94/07/570759407.db2.gz KEKMBOFRNURNAG-UHFFFAOYSA-N 1 0 389.503 4.030 50 0 GIAARO Cc1cc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccc(-c5cc[nH]n5)cc4)c3)C2)[nH]n1 ZINC000065387726 570764683 /nfs/dbraw/zinc/76/46/83/570764683.db2.gz PMDMEPFUQNSGLO-HXUWFJFHSA-N 1 0 384.487 4.160 50 0 GIAARO CCc1ccc(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCC[C@H](CO)C2)o1 ZINC000065395624 570765563 /nfs/dbraw/zinc/76/55/63/570765563.db2.gz JETLAKNJPUGQOR-SFHVURJKSA-N 1 0 379.504 4.077 50 0 GIAARO O=C(C[C@H](c1ccsc1)n1cccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000524732542 570769794 /nfs/dbraw/zinc/76/97/94/570769794.db2.gz OPLYUJGHZZDSFJ-JOCHJYFZSA-N 1 0 393.556 4.310 50 0 GIAARO CCOCCn1cnc(-c2ccccc2)c1-c1ccc(OC)c(C[NH+](C)C)c1 ZINC000065529586 570772326 /nfs/dbraw/zinc/77/23/26/570772326.db2.gz ZQYNJGCJOYWTOI-UHFFFAOYSA-N 1 0 379.504 4.324 50 0 GIAARO COc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013727254 570782306 /nfs/dbraw/zinc/78/23/06/570782306.db2.gz MRISQBUCXUBVFY-UHFFFAOYSA-N 1 0 377.912 4.488 50 0 GIAARO C[N@@H+]1CCC[C@@H]1CCN1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067673243 570785431 /nfs/dbraw/zinc/78/54/31/570785431.db2.gz OAOKIILEDPEIRE-MRXNPFEDSA-N 1 0 379.426 4.203 50 0 GIAARO Cc1ccc2cc(C3(O)CC[NH+](Cc4ccc(O)cc4Cl)CC3)ccc2n1 ZINC000067679062 570786248 /nfs/dbraw/zinc/78/62/48/570786248.db2.gz ZDUOEOKNDPUATL-UHFFFAOYSA-N 1 0 382.891 4.386 50 0 GIAARO O=c1cc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)nc2ccc(Cl)cn12 ZINC000032759580 570795051 /nfs/dbraw/zinc/79/50/51/570795051.db2.gz FFOBEHRENXQWFP-OAQYLSRUSA-N 1 0 389.886 4.422 50 0 GIAARO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](CC[C@H]1CCOC1)C2 ZINC000067967446 570798829 /nfs/dbraw/zinc/79/88/29/570798829.db2.gz YPJMFIBFZDJRKQ-HNNXBMFYSA-N 1 0 396.512 4.290 50 0 GIAARO COc1cccc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668287 570814364 /nfs/dbraw/zinc/81/43/64/570814364.db2.gz FOGLTNKIXDBLGA-OXJNMPFZSA-N 1 0 375.582 4.367 50 0 GIAARO CC1CC[NH+](CCCNc2ncccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000065117701 570823542 /nfs/dbraw/zinc/82/35/42/570823542.db2.gz ODNKQENTJIVINO-UHFFFAOYSA-N 1 0 377.492 4.333 50 0 GIAARO COC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000165653449 570825447 /nfs/dbraw/zinc/82/54/47/570825447.db2.gz GGZLVDJIGSJUHP-IBGZPJMESA-N 1 0 380.410 4.184 50 0 GIAARO CC[C@@H]([NH2+]Cc1cc(=O)n2cc(C)ccc2n1)c1ccc(Br)cc1 ZINC000007375310 570831261 /nfs/dbraw/zinc/83/12/61/570831261.db2.gz ZMSISWPLWQLXAV-QGZVFWFLSA-N 1 0 386.293 4.006 50 0 GIAARO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037212983 570848495 /nfs/dbraw/zinc/84/84/95/570848495.db2.gz BOELZLLRPCWHHR-HOTGVXAUSA-N 1 0 385.895 4.018 50 0 GIAARO COc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cc1 ZINC000071758946 570848969 /nfs/dbraw/zinc/84/89/69/570848969.db2.gz JZCQEEHQIVWVLJ-QFIPXVFZSA-N 1 0 384.495 4.093 50 0 GIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)NCCc2ccccc2)CC1 ZINC000043991663 570852607 /nfs/dbraw/zinc/85/26/07/570852607.db2.gz YFFOOENOEJOKMD-UHFFFAOYSA-N 1 0 397.588 4.162 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)Sc2ccc(C)cc2)CC1 ZINC000012557906 570860126 /nfs/dbraw/zinc/86/01/26/570860126.db2.gz RVUXFDUHGOLDDO-SFHVURJKSA-N 1 0 383.561 4.256 50 0 GIAARO COCc1ncc(C[N@@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000072129640 570868315 /nfs/dbraw/zinc/86/83/15/570868315.db2.gz IFXMZMVJSFOCQA-MRXNPFEDSA-N 1 0 393.453 4.487 50 0 GIAARO CC(C)[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072130993 570868911 /nfs/dbraw/zinc/86/89/11/570868911.db2.gz LUFJWYOUCPZAGI-FQEVSTJZSA-N 1 0 389.902 4.247 50 0 GIAARO O=C(CCc1ccccc1)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccn3)no2)C1 ZINC000072144030 570870655 /nfs/dbraw/zinc/87/06/55/570870655.db2.gz SVTSKMLUTREZBE-LJQANCHMSA-N 1 0 375.472 4.151 50 0 GIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000170613541 570871680 /nfs/dbraw/zinc/87/16/80/570871680.db2.gz KBACKDWBFWWHPL-MBSDFSHPSA-N 1 0 379.548 4.431 50 0 GIAARO c1cncc([C@H]2OCC[C@@H]2c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000170615950 570874552 /nfs/dbraw/zinc/87/45/52/570874552.db2.gz YEMFJFZWKDJGPE-LEWJYISDSA-N 1 0 390.487 4.363 50 0 GIAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](CC2CCCCC2)CC1 ZINC000015061918 570874656 /nfs/dbraw/zinc/87/46/56/570874656.db2.gz WICCWNFTOZSIPD-UHFFFAOYSA-N 1 0 380.536 4.282 50 0 GIAARO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000071817052 570893617 /nfs/dbraw/zinc/89/36/17/570893617.db2.gz SGDYUIANSBZHNV-GOSISDBHSA-N 1 0 396.922 4.427 50 0 GIAARO CC1CC[NH+](Cc2ccc(CNC(=O)C3(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000023057124 570895449 /nfs/dbraw/zinc/89/54/49/570895449.db2.gz SFDHKVMNHUKZCS-UHFFFAOYSA-N 1 0 380.507 4.406 50 0 GIAARO C[N@H+](Cc1ccccc1NCc1cc(=O)n2ccsc2n1)C1CCCCC1 ZINC000015322804 570898557 /nfs/dbraw/zinc/89/85/57/570898557.db2.gz KUNXDHROAOSMBP-UHFFFAOYSA-N 1 0 382.533 4.133 50 0 GIAARO CC(C)C[N@@H+]1CCCC[C@H]1CCNC(=O)c1cccc(-c2ccc(O)cn2)c1 ZINC000534585927 570904289 /nfs/dbraw/zinc/90/42/89/570904289.db2.gz RIMACEXYSUMFCW-FQEVSTJZSA-N 1 0 381.520 4.085 50 0 GIAARO Cc1ccc([C@H](C)NC(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)cc1C ZINC000534641642 570908847 /nfs/dbraw/zinc/90/88/47/570908847.db2.gz ZURANODBQZPUQU-IBGZPJMESA-N 1 0 380.536 4.065 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000105010956 570912785 /nfs/dbraw/zinc/91/27/85/570912785.db2.gz VJJMWQOGIZXVOQ-HTAPYJJXSA-N 1 0 379.479 4.378 50 0 GIAARO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000004061597 570927684 /nfs/dbraw/zinc/92/76/84/570927684.db2.gz XPIMRLYLQKZKIJ-XWGVYQGASA-N 1 0 394.515 4.002 50 0 GIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)c(OC)c1 ZINC000012648218 570934899 /nfs/dbraw/zinc/93/48/99/570934899.db2.gz MKTIZSCBYGRSRZ-FQEVSTJZSA-N 1 0 379.456 4.456 50 0 GIAARO CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C12CCCC2 ZINC000239653732 570945770 /nfs/dbraw/zinc/94/57/70/570945770.db2.gz BKYFUIGYLYFVDF-JEQQUTEPSA-N 1 0 378.557 4.244 50 0 GIAARO COc1ccc([C@@H](CNC(=S)Nc2cc(C)ccc2C)[NH+]2CCCC2)cc1 ZINC000007583785 570948975 /nfs/dbraw/zinc/94/89/75/570948975.db2.gz RLKDTMRHWCGBFH-OAQYLSRUSA-N 1 0 383.561 4.436 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000007598290 570964052 /nfs/dbraw/zinc/96/40/52/570964052.db2.gz NUWOHQGIFKAKRO-QHCPKHFHSA-N 1 0 376.475 4.454 50 0 GIAARO Cc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC000252502408 570976963 /nfs/dbraw/zinc/97/69/63/570976963.db2.gz UPYSPQGUEODVCQ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/38/90/39/817389039.db2.gz BYTDZCXXPGAKGP-UHFFFAOYSA-N 1 0 383.927 4.099 50 0 GIAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000004278759 817516163 /nfs/dbraw/zinc/51/61/63/817516163.db2.gz PZVIAXTZZNOIRY-HSZRJFAPSA-N 1 0 393.531 4.413 50 0 GIAARO O=C1C[C@@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000004978304 817544068 /nfs/dbraw/zinc/54/40/68/817544068.db2.gz IZYOWRKEIJUDOO-OAQYLSRUSA-N 1 0 378.472 4.281 50 0 GIAARO Cc1c(C)n(C)c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000006910934 817724038 /nfs/dbraw/zinc/72/40/38/817724038.db2.gz MVWFNSKMPINVNG-UHFFFAOYSA-N 1 0 375.516 4.190 50 0 GIAARO CNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)c1 ZINC000007804665 817920802 /nfs/dbraw/zinc/92/08/02/817920802.db2.gz SZOSKUYISGQFFV-JOCHJYFZSA-N 1 0 381.520 4.095 50 0 GIAARO C[NH+](C)C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000007818073 817923693 /nfs/dbraw/zinc/92/36/93/817923693.db2.gz ZFLIHDLLAUXSSJ-IBGZPJMESA-N 1 0 393.512 4.033 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccc(F)cc2Cl)cc1 ZINC000007828922 817927987 /nfs/dbraw/zinc/92/79/87/817927987.db2.gz OPXWPPBRCXLSEX-UHFFFAOYSA-N 1 0 378.875 4.016 50 0 GIAARO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007854567 817939844 /nfs/dbraw/zinc/93/98/44/817939844.db2.gz BXJKCGCJXLNCFG-AUSIDOKSSA-N 1 0 387.527 4.456 50 0 GIAARO CC(C)Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000007875339 817946337 /nfs/dbraw/zinc/94/63/37/817946337.db2.gz HYEJCFTXTZWQEJ-HTAPYJJXSA-N 1 0 395.547 4.298 50 0 GIAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)sc2cccc(F)c12 ZINC000007987020 817976430 /nfs/dbraw/zinc/97/64/30/817976430.db2.gz OVZHVRSCDIHPDW-UHFFFAOYSA-N 1 0 383.492 4.353 50 0 GIAARO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000008156745 818008787 /nfs/dbraw/zinc/00/87/87/818008787.db2.gz HLASIRSZLZBNGM-JOCHJYFZSA-N 1 0 391.515 4.331 50 0 GIAARO COc1ccc([C@H](CNC(=O)Cc2coc3cc(C)ccc23)[NH+]2CCCC2)cc1 ZINC000008230625 818020688 /nfs/dbraw/zinc/02/06/88/818020688.db2.gz OKDFCLGXNIDWLA-QFIPXVFZSA-N 1 0 392.499 4.246 50 0 GIAARO C[C@@H](Oc1ccccc1)C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000011818383 818124069 /nfs/dbraw/zinc/12/40/69/818124069.db2.gz SIIZWYFEFXEGLS-LJQANCHMSA-N 1 0 398.522 4.006 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cc1O ZINC000011912092 818128470 /nfs/dbraw/zinc/12/84/70/818128470.db2.gz LNJCZSZDNOLKNM-LJQANCHMSA-N 1 0 377.488 4.479 50 0 GIAARO COc1ccc2nc(N3CCC([NH2+][C@H](C)Cc4cccs4)CC3)nc(C)c2c1 ZINC000012052678 818138978 /nfs/dbraw/zinc/13/89/78/818138978.db2.gz ZWPXTOREFTTWRP-OAHLLOKOSA-N 1 0 396.560 4.198 50 0 GIAARO c1ccc(C[N@@H+]2CCC[C@@]3(CCCN(c4nncc(-c5ccccc5)n4)C3)C2)cc1 ZINC000012303298 818153748 /nfs/dbraw/zinc/15/37/48/818153748.db2.gz PJCQZNZMXIIDKT-RUZDIDTESA-N 1 0 399.542 4.421 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)c1 ZINC000012315991 818154507 /nfs/dbraw/zinc/15/45/07/818154507.db2.gz LXLNXQFFDNOEPE-HSZRJFAPSA-N 1 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ZINC000015064226 818286628 /nfs/dbraw/zinc/28/66/28/818286628.db2.gz IBUHKWDCODGPBV-JOCHJYFZSA-N 1 0 386.971 4.178 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)Cc1ccsc1 ZINC000015064677 818287024 /nfs/dbraw/zinc/28/70/24/818287024.db2.gz QWBOXEWGHTXHKT-UHFFFAOYSA-N 1 0 384.589 4.402 50 0 GIAARO COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000019531436 818593253 /nfs/dbraw/zinc/59/32/53/818593253.db2.gz LINIVIFYIFYCQL-ZDUSSCGKSA-N 1 0 382.382 4.053 50 0 GIAARO O=c1c2c3c(sc2ncn1C1CCCC1)C[C@H]([NH2+]Cc1ccc(F)cc1)CC3 ZINC000020906330 818638911 /nfs/dbraw/zinc/63/89/11/818638911.db2.gz YQSOUSURNXOKSZ-MRXNPFEDSA-N 1 0 397.519 4.359 50 0 GIAARO Cn1cc(CN2CCC[N@H+](Cc3ccccc3F)CC2)c(-c2ccccc2F)n1 ZINC000020994760 818645704 /nfs/dbraw/zinc/64/57/04/818645704.db2.gz VHQVICJIYWBNOP-UHFFFAOYSA-N 1 0 396.485 4.073 50 0 GIAARO CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000029552147 820475175 /nfs/dbraw/zinc/47/51/75/820475175.db2.gz KLQBJLPEMLBZGC-LJQANCHMSA-N 1 0 380.532 4.491 50 0 GIAARO CC[C@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000032066295 820893255 /nfs/dbraw/zinc/89/32/55/820893255.db2.gz FRAMBBIAUKELHB-DEOSSOPVSA-N 1 0 393.575 4.207 50 0 GIAARO CC(C)C[N@H+](Cc1cccs1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068960 821030120 /nfs/dbraw/zinc/03/01/20/821030120.db2.gz MUYUBANCKQJMKO-UHFFFAOYSA-N 1 0 387.574 4.355 50 0 GIAARO COc1cccc([C@@H](CNc2nc(-c3ccncc3)nc3ccccc32)[NH+](C)C)c1 ZINC000040040261 821127199 /nfs/dbraw/zinc/12/71/99/821127199.db2.gz TTWUNQZSUZNDHV-JOCHJYFZSA-N 1 0 399.498 4.415 50 0 GIAARO CCc1nc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccc3OC)cc2nc1CC ZINC000040086957 821133538 /nfs/dbraw/zinc/13/35/38/821133538.db2.gz XGWFXUQJQYBTQL-UHFFFAOYSA-N 1 0 392.503 4.077 50 0 GIAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000190626960 823593292 /nfs/dbraw/zinc/59/32/92/823593292.db2.gz DREGIZRVLSNNEO-MRXNPFEDSA-N 1 0 383.879 4.075 50 0 GIAARO CCCC(=O)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776734 823915613 /nfs/dbraw/zinc/91/56/13/823915613.db2.gz PNQWYUPRQGMDQR-NRFANRHFSA-N 1 0 388.527 4.130 50 0 GIAARO c1ccc(-c2nc(-c3ccncc3)no2)c(O[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000169785099 823916202 /nfs/dbraw/zinc/91/62/02/823916202.db2.gz AUZACZRBFQHEFC-GOSISDBHSA-N 1 0 376.460 4.194 50 0 GIAARO COCCCn1c(C)c[nH+]c1CC1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000169788089 823916490 /nfs/dbraw/zinc/91/64/90/823916490.db2.gz PJYGJLUFKPISAP-UHFFFAOYSA-N 1 0 398.551 4.331 50 0 GIAARO CC(C)(C)NC(=O)N1CCC([N@@H+]2CC3(CCCCC3)[C@@H]2c2ccncc2)CC1 ZINC000169786991 823916708 /nfs/dbraw/zinc/91/67/08/823916708.db2.gz GVXROBGNWGEAOW-FQEVSTJZSA-N 1 0 384.568 4.361 50 0 GIAARO Cc1ncsc1C[N@@H+]1CC[C@@H](Oc2ccccc2-c2nc(C3CC3)no2)C1 ZINC000575314961 823952259 /nfs/dbraw/zinc/95/22/59/823952259.db2.gz UNEJOOMPWYDMJJ-OAHLLOKOSA-N 1 0 382.489 4.032 50 0 GIAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)C2(c3ccc(OC)cc3)CC2)CC1 ZINC000575316456 823953343 /nfs/dbraw/zinc/95/33/43/823953343.db2.gz YQRCXLFMZPZZDW-UHFFFAOYSA-N 1 0 395.547 4.123 50 0 GIAARO CCn1cc(CN2CCC([N@@H+]3CC4(CCCCC4)[C@H]3c3ccncc3)CC2)cn1 ZINC000575545499 823975387 /nfs/dbraw/zinc/97/53/87/823975387.db2.gz NYEVQTWIUNSXJO-HSZRJFAPSA-N 1 0 393.579 4.270 50 0 GIAARO Cc1cnc(C2CCOCC2)n1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575547737 823976381 /nfs/dbraw/zinc/97/63/81/823976381.db2.gz UERZRGDMWINYHY-KRWDZBQOSA-N 1 0 389.490 4.276 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@@H](Cn3c(C)cnc3-c3ccccc3)C2)n1 ZINC000575547628 823976650 /nfs/dbraw/zinc/97/66/50/823976650.db2.gz NLCSQPNYOIAOMR-LJQANCHMSA-N 1 0 376.504 4.174 50 0 GIAARO COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)cc1 ZINC000000934757 206334213 /nfs/dbraw/zinc/33/42/13/206334213.db2.gz VPRJBJBOZANNAB-HXUWFJFHSA-N 1 0 397.906 4.314 50 0 GIAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC[NH+]1CCCCC1 ZINC000000952951 206336762 /nfs/dbraw/zinc/33/67/62/206336762.db2.gz CPZSMWIHKNTLRP-UHFFFAOYSA-N 1 0 386.517 4.406 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cc3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000003417583 206478677 /nfs/dbraw/zinc/47/86/77/206478677.db2.gz VESPHOAVJYZIDP-FQEVSTJZSA-N 1 0 378.472 4.398 50 0 GIAARO COc1ccc2nc3sc(C(=O)NCCC[NH+]4CCC(C)CC4)cc3cc2c1 ZINC000004900791 206568160 /nfs/dbraw/zinc/56/81/60/206568160.db2.gz GRWUHKKTMNKPTK-UHFFFAOYSA-N 1 0 397.544 4.310 50 0 GIAARO C[C@H](C[NH2+]C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006584697 206655535 /nfs/dbraw/zinc/65/55/35/206655535.db2.gz VVXCFBGYBYNXQB-XXBNENTESA-N 1 0 394.540 4.100 50 0 GIAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]C1CCCC1 ZINC000006769596 206674214 /nfs/dbraw/zinc/67/42/14/206674214.db2.gz GQCICNXARDAFEE-LEWJYISDSA-N 1 0 384.907 4.343 50 0 GIAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]C1CCCC1 ZINC000006769592 206674257 /nfs/dbraw/zinc/67/42/57/206674257.db2.gz GQCICNXARDAFEE-SFTDATJTSA-N 1 0 384.907 4.343 50 0 GIAARO CSCc1c2ccccc2oc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000007735268 206722569 /nfs/dbraw/zinc/72/25/69/206722569.db2.gz IYTNXOMBPXOPEG-UHFFFAOYSA-N 1 0 395.528 4.300 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccsc1 ZINC000011872999 206840090 /nfs/dbraw/zinc/84/00/90/206840090.db2.gz ZKISYQXDYPOTKI-QGZVFWFLSA-N 1 0 376.953 4.428 50 0 GIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccccc2OC)CC1 ZINC000012029683 206849035 /nfs/dbraw/zinc/84/90/35/206849035.db2.gz MVZKFDJVWINAQD-UHFFFAOYSA-N 1 0 397.515 4.092 50 0 GIAARO Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)cn1 ZINC000012586670 206918568 /nfs/dbraw/zinc/91/85/68/206918568.db2.gz YWQKSXWBVNZBLM-LJQANCHMSA-N 1 0 399.485 4.043 50 0 GIAARO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)CC1 ZINC000012592515 206918632 /nfs/dbraw/zinc/91/86/32/206918632.db2.gz HZZRIAFSFCAZIG-SFHVURJKSA-N 1 0 378.507 4.256 50 0 GIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccsc1 ZINC000012715602 206927718 /nfs/dbraw/zinc/92/77/18/206927718.db2.gz SSNPPDNTAFHXEB-UHFFFAOYSA-N 1 0 376.953 4.428 50 0 GIAARO CC1(C)CC(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)CC(C)(C)[NH2+]1 ZINC000013682036 206989230 /nfs/dbraw/zinc/98/92/30/206989230.db2.gz LMHDTEYYSFGOCA-UHFFFAOYSA-N 1 0 382.533 4.126 50 0 GIAARO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000014197330 207015799 /nfs/dbraw/zinc/01/57/99/207015799.db2.gz MSEFPQPVPFYFCT-GOSISDBHSA-N 1 0 399.491 4.194 50 0 GIAARO Cc1nc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)s1 ZINC000014954908 207032192 /nfs/dbraw/zinc/03/21/92/207032192.db2.gz WMMYHUYEHBMWGI-OAQYLSRUSA-N 1 0 387.524 4.027 50 0 GIAARO CC[N@@H+](Cc1cccc2nonc21)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000014967311 207034852 /nfs/dbraw/zinc/03/48/52/207034852.db2.gz JCCVJOBEIRLUBF-IBGZPJMESA-N 1 0 396.510 4.139 50 0 GIAARO Cc1cnc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014959886 207035911 /nfs/dbraw/zinc/03/59/11/207035911.db2.gz LPLBZPBPLXIHJE-XMMPIXPASA-N 1 0 392.547 4.037 50 0 GIAARO C[C@@H]([NH2+]C1CCN(c2ccc(CC(=O)N3CCCC3)cc2)CC1)c1cccs1 ZINC000015003038 207040328 /nfs/dbraw/zinc/04/03/28/207040328.db2.gz ITYHWRKPFZXVND-GOSISDBHSA-N 1 0 397.588 4.233 50 0 GIAARO O=C(c1cc2ccccc2[nH]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000015066367 207043116 /nfs/dbraw/zinc/04/31/16/207043116.db2.gz QIPHCXXIQMMDMR-XMMPIXPASA-N 1 0 391.490 4.435 50 0 GIAARO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000015350771 207050285 /nfs/dbraw/zinc/05/02/85/207050285.db2.gz AVLULMFXAXTXNV-FDDCHVKYSA-N 1 0 391.515 4.247 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCC(C)CC2)o1 ZINC000015860526 207065015 /nfs/dbraw/zinc/06/50/15/207065015.db2.gz XSBKXPNNSMSIIK-HXUWFJFHSA-N 1 0 393.487 4.446 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2C)CC1 ZINC000016725200 207077106 /nfs/dbraw/zinc/07/71/06/207077106.db2.gz KVVKZIKCGZBZFT-UHFFFAOYSA-N 1 0 389.902 4.111 50 0 GIAARO COc1ccc(Br)cc1CN1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000019361733 207118266 /nfs/dbraw/zinc/11/82/66/207118266.db2.gz ZKHVGRLKKHRXRK-QAPCUYQASA-N 1 0 381.358 4.154 50 0 GIAARO COc1ccc(OC)c(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019370608 207119253 /nfs/dbraw/zinc/11/92/53/207119253.db2.gz FVFRLHSSWBPELS-UHFFFAOYSA-N 1 0 376.500 4.175 50 0 GIAARO Fc1ccc(N2CCN([C@H]3CCC[N@H+](C/C=C/c4ccccc4)C3)CC2)cc1 ZINC000019639615 207143253 /nfs/dbraw/zinc/14/32/53/207143253.db2.gz SAYGQUOQNOHPAG-LHLOKTHNSA-N 1 0 379.523 4.126 50 0 GIAARO Cc1cc(-n2cccn2)ccc1C[NH2+][C@H]1CCCN(Cc2ccccc2F)C1 ZINC000019744033 207157133 /nfs/dbraw/zinc/15/71/33/207157133.db2.gz INDBDFKUTKBRIB-NRFANRHFSA-N 1 0 378.495 4.074 50 0 GIAARO Brc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019781598 207160609 /nfs/dbraw/zinc/16/06/09/207160609.db2.gz WCGNEUNDEPMGTB-UHFFFAOYSA-N 1 0 384.321 4.248 50 0 GIAARO CN(C)C(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)s1 ZINC000019789673 207161455 /nfs/dbraw/zinc/16/14/55/207161455.db2.gz LHOSLQJSJHDAHO-HNNXBMFYSA-N 1 0 386.546 4.239 50 0 GIAARO C[C@@H](Oc1ccccc1)c1cc(=O)[nH]c(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000019792691 207161726 /nfs/dbraw/zinc/16/17/26/207161726.db2.gz PTYUNBOAZNDEQH-QGZVFWFLSA-N 1 0 375.472 4.173 50 0 GIAARO O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019831789 207164801 /nfs/dbraw/zinc/16/48/01/207164801.db2.gz OHBHQBZFBLILCF-JOCHJYFZSA-N 1 0 396.918 4.055 50 0 GIAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](C4CCOCC4)CC3)cc2)c1 ZINC000020138542 207178657 /nfs/dbraw/zinc/17/86/57/207178657.db2.gz RDHLXCVKRUOTKF-UHFFFAOYSA-N 1 0 378.516 4.492 50 0 GIAARO Cc1ccc(/C=C/C(=O)NCCN2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000020241344 207184494 /nfs/dbraw/zinc/18/44/94/207184494.db2.gz LUHSUUOGVHQADD-VQMHNJBBSA-N 1 0 397.607 4.099 50 0 GIAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000020451581 207192732 /nfs/dbraw/zinc/19/27/32/207192732.db2.gz ALIKZGHJIWJSQH-IBGZPJMESA-N 1 0 382.529 4.462 50 0 GIAARO COc1cc(C[NH2+][C@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1 ZINC000020477153 207195821 /nfs/dbraw/zinc/19/58/21/207195821.db2.gz SJSVHBIGZBAXFI-FQEVSTJZSA-N 1 0 386.923 4.111 50 0 GIAARO Cc1ccccc1-c1ncc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 ZINC000020598752 207204876 /nfs/dbraw/zinc/20/48/76/207204876.db2.gz MJFKAWLBTWYJCK-QHCPKHFHSA-N 1 0 398.554 4.173 50 0 GIAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000020599545 207206389 /nfs/dbraw/zinc/20/63/89/207206389.db2.gz DCCXCQVSFYYOAC-CQSZACIVSA-N 1 0 389.508 4.449 50 0 GIAARO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccc(F)cc1Cl ZINC000020876192 207217642 /nfs/dbraw/zinc/21/76/42/207217642.db2.gz UJUKDUYGOXKUSP-KRWDZBQOSA-N 1 0 379.859 4.335 50 0 GIAARO COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874999 207218330 /nfs/dbraw/zinc/21/83/30/207218330.db2.gz PYESKPYCRHCCCG-UHFFFAOYSA-N 1 0 376.928 4.277 50 0 GIAARO CCCOc1c(Br)cc(Br)cc1C[NH2+]CCCOC ZINC000020929938 207221041 /nfs/dbraw/zinc/22/10/41/207221041.db2.gz CQFLSQXQRZCQHJ-UHFFFAOYSA-N 1 0 395.135 4.127 50 0 GIAARO CC(C)c1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000020946222 207221453 /nfs/dbraw/zinc/22/14/53/207221453.db2.gz UXGPBWVTQCSRCR-UHFFFAOYSA-N 1 0 378.582 4.087 50 0 GIAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000020992967 207223014 /nfs/dbraw/zinc/22/30/14/207223014.db2.gz FERXVTXJCNVALG-FQEVSTJZSA-N 1 0 387.930 4.266 50 0 GIAARO COc1cccc(-c2cccc(N3CCC([NH2+][C@H](C)c4cnn(C)c4)CC3)c2)c1 ZINC000020997816 207223559 /nfs/dbraw/zinc/22/35/59/207223559.db2.gz PDJYHCQVOXYSIW-GOSISDBHSA-N 1 0 390.531 4.415 50 0 GIAARO CCCCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021168479 207227267 /nfs/dbraw/zinc/22/72/67/207227267.db2.gz IBGVOFQHCXCDAQ-RPWUZVMVSA-N 1 0 383.532 4.189 50 0 GIAARO CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000021473991 207229690 /nfs/dbraw/zinc/22/96/90/207229690.db2.gz LQGHLWOCGXHIEZ-IBGZPJMESA-N 1 0 396.556 4.478 50 0 GIAARO C[C@H](CCc1ccco1)NC(=O)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663515 207234110 /nfs/dbraw/zinc/23/41/10/207234110.db2.gz UGYLKQJMNAUEPY-QGZVFWFLSA-N 1 0 387.549 4.004 50 0 GIAARO COc1ccc(Cl)cc1NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000021718085 207235045 /nfs/dbraw/zinc/23/50/45/207235045.db2.gz BRMXZMHXKPUAKV-UHFFFAOYSA-N 1 0 379.932 4.324 50 0 GIAARO CCOc1ccc(Br)cc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000022074388 207247318 /nfs/dbraw/zinc/24/73/18/207247318.db2.gz GMPMTXFYZVVWBL-UHFFFAOYSA-N 1 0 394.309 4.197 50 0 GIAARO COc1cccc([C@@H](CNC(=O)CCc2ccc(-c3ccccc3)o2)[NH+](C)C)c1 ZINC000022683346 207259119 /nfs/dbraw/zinc/25/91/19/207259119.db2.gz AZJDCRVUEDTOOR-JOCHJYFZSA-N 1 0 392.499 4.307 50 0 GIAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3cc(C)c(C)o3)C2)cc1OC ZINC000023360359 207275273 /nfs/dbraw/zinc/27/52/73/207275273.db2.gz PVXPXRFIALVYPX-HXUWFJFHSA-N 1 0 386.536 4.053 50 0 GIAARO CCN(CC)CC[NH2+]Cc1cn(-c2ccccc2F)nc1-c1ccc(OC)cc1 ZINC000023373820 207276829 /nfs/dbraw/zinc/27/68/29/207276829.db2.gz IEOUWXIOITXGEL-UHFFFAOYSA-N 1 0 396.510 4.118 50 0 GIAARO CCCCc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)[C@H](C)c3cccnc3)c2)n1 ZINC000023541222 207278070 /nfs/dbraw/zinc/27/80/70/207278070.db2.gz YNCDMEQGAFRQGG-QGZVFWFLSA-N 1 0 376.504 4.368 50 0 GIAARO CN(Cc1ccc(Cl)c(Cl)c1)Cn1nc(C[NH+]2CCCC2)oc1=S ZINC000024991004 207299215 /nfs/dbraw/zinc/29/92/15/207299215.db2.gz IHDNWWYRCGZSGU-UHFFFAOYSA-N 1 0 387.336 4.198 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccsc1 ZINC000025330005 207303305 /nfs/dbraw/zinc/30/33/05/207303305.db2.gz LYSVNMMZUGMAAH-GOSISDBHSA-N 1 0 378.497 4.405 50 0 GIAARO C[C@@H](Sc1ccc(F)cc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026883345 207321282 /nfs/dbraw/zinc/32/12/82/207321282.db2.gz GYGBLAPDQRJKRR-OAHLLOKOSA-N 1 0 390.499 4.226 50 0 GIAARO C[C@@H](NC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(F)cc1 ZINC000027345279 207323477 /nfs/dbraw/zinc/32/34/77/207323477.db2.gz MIIWFSKJRLTULS-OXQOHEQNSA-N 1 0 397.494 4.174 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027793066 207329752 /nfs/dbraw/zinc/32/97/52/207329752.db2.gz JAXOTOSMOYKRPF-QHCPKHFHSA-N 1 0 380.532 4.451 50 0 GIAARO COc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027741375 207330219 /nfs/dbraw/zinc/33/02/19/207330219.db2.gz SZXOWBWZCCREHA-HSZRJFAPSA-N 1 0 396.531 4.116 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCCCC2)cc1 ZINC000027581810 207327389 /nfs/dbraw/zinc/32/73/89/207327389.db2.gz FMDNDZPFANJFRS-JOCHJYFZSA-N 1 0 380.532 4.334 50 0 GIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027582979 207327553 /nfs/dbraw/zinc/32/75/53/207327553.db2.gz GNMSACMIOGULDP-HSZRJFAPSA-N 1 0 396.531 4.116 50 0 GIAARO CCCCCOc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000028252094 207338074 /nfs/dbraw/zinc/33/80/74/207338074.db2.gz XORXVCJYJBVZQK-UHFFFAOYSA-N 1 0 396.597 4.152 50 0 GIAARO Cc1ccc2oc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028292270 207338876 /nfs/dbraw/zinc/33/88/76/207338876.db2.gz GEPIKBDPNVURRU-HXUWFJFHSA-N 1 0 390.483 4.058 50 0 GIAARO Cc1cccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)c1C ZINC000028289320 207339278 /nfs/dbraw/zinc/33/92/78/207339278.db2.gz YVSPXMMGFDWJOC-OAQYLSRUSA-N 1 0 382.548 4.399 50 0 GIAARO c1cnn(Cc2ccccc2C[NH2+]Cc2ccccc2OCc2cccnc2)c1 ZINC000030629082 207373231 /nfs/dbraw/zinc/37/32/31/207373231.db2.gz KPZBDPDDNYRMET-UHFFFAOYSA-N 1 0 384.483 4.195 50 0 GIAARO c1ccc(Oc2cccc(C[NH2+]Cc3cccnc3N3CCOCC3)c2)cc1 ZINC000030901545 207377683 /nfs/dbraw/zinc/37/76/83/207377683.db2.gz AUVPAXOQWJINSP-UHFFFAOYSA-N 1 0 375.472 4.000 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)ccc1Br)c1ccsc1 ZINC000031985975 207388406 /nfs/dbraw/zinc/38/84/06/207388406.db2.gz DQYOGPPJDIBODC-INIZCTEOSA-N 1 0 399.329 4.463 50 0 GIAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)C[C@H](C)c3ccccc3)CC2)c1 ZINC000032068373 207389035 /nfs/dbraw/zinc/38/90/35/207389035.db2.gz JCNOXVZWWTYVHV-QFIPXVFZSA-N 1 0 393.575 4.207 50 0 GIAARO CCC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145963 207514168 /nfs/dbraw/zinc/51/41/68/207514168.db2.gz WBJWSQVNPYVVHY-RTWAWAEBSA-N 1 0 386.923 4.496 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)c1OC(C)C ZINC000040728910 207606305 /nfs/dbraw/zinc/60/63/05/207606305.db2.gz CAJLBNWUBSHVEN-QGZVFWFLSA-N 1 0 394.309 4.068 50 0 GIAARO CCOc1ccc(C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1OC ZINC000057024612 207747554 /nfs/dbraw/zinc/74/75/54/207747554.db2.gz AHSMUGYEUDLUEJ-UHFFFAOYSA-N 1 0 381.472 4.449 50 0 GIAARO O=C(c1ccc2cccc(Cl)c2n1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000072168504 207984415 /nfs/dbraw/zinc/98/44/15/207984415.db2.gz HZDVYKPFTIKDMO-QFIPXVFZSA-N 1 0 383.923 4.226 50 0 GIAARO Cc1nc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(C(C)C)s1 ZINC000072405519 208016984 /nfs/dbraw/zinc/01/69/84/208016984.db2.gz RXIVOSRUKHDNCL-UHFFFAOYSA-N 1 0 375.513 4.108 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[C@H]([NH+](C)C)C2)cc1 ZINC000072429056 208024980 /nfs/dbraw/zinc/02/49/80/208024980.db2.gz BDBSOBCJGAGPCL-NRFANRHFSA-N 1 0 375.516 4.355 50 0 GIAARO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc2cc(C)ccc2nc1-c1ccc(F)cc1 ZINC000072432989 208025422 /nfs/dbraw/zinc/02/54/22/208025422.db2.gz YHDYZNPMWXBFIC-OAQYLSRUSA-N 1 0 377.463 4.060 50 0 GIAARO CC(C)(CO)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000015063661 208037467 /nfs/dbraw/zinc/03/74/67/208037467.db2.gz RYUATCZVQUYDNC-LJQANCHMSA-N 1 0 384.495 4.162 50 0 GIAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)cc1 ZINC000077455919 208043800 /nfs/dbraw/zinc/04/38/00/208043800.db2.gz FTGHCQRBTFNQGZ-QGZVFWFLSA-N 1 0 381.549 4.287 50 0 GIAARO Cc1cc(=O)[nH]c(-c2cccc(C[N@H+](Cc3ccccn3)C3CCCCC3)c2)n1 ZINC000082039357 208077363 /nfs/dbraw/zinc/07/73/63/208077363.db2.gz DLRARVHZMRABDD-UHFFFAOYSA-N 1 0 388.515 4.475 50 0 GIAARO CCc1c(C)nc(C)nc1NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082098891 208079514 /nfs/dbraw/zinc/07/95/14/208079514.db2.gz WMPOVEJWUCWHTC-UHFFFAOYSA-N 1 0 382.556 4.003 50 0 GIAARO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000089813925 208109532 /nfs/dbraw/zinc/10/95/32/208109532.db2.gz XCQSJMSPZLJVIY-UHFFFAOYSA-N 1 0 396.384 4.054 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000089901353 208112171 /nfs/dbraw/zinc/11/21/71/208112171.db2.gz HCXJNSDPMSJPMP-HSZRJFAPSA-N 1 0 394.540 4.012 50 0 GIAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000091254383 208114539 /nfs/dbraw/zinc/11/45/39/208114539.db2.gz NZRRVDTXIXBLPE-SFHVURJKSA-N 1 0 395.572 4.478 50 0 GIAARO COCOc1ccc(OC)cc1C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095467762 208190788 /nfs/dbraw/zinc/19/07/88/208190788.db2.gz GQGWVXGGEZKUPF-UHFFFAOYSA-N 1 0 378.472 4.449 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccc[nH]2)CC1 ZINC000095503168 208203329 /nfs/dbraw/zinc/20/33/29/208203329.db2.gz WEZNIOXIDLAWTK-UHFFFAOYSA-N 1 0 383.536 4.034 50 0 GIAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1cc[nH]c1 ZINC000095503505 208205365 /nfs/dbraw/zinc/20/53/65/208205365.db2.gz ZKSCDULBEFAHIH-UHFFFAOYSA-N 1 0 393.453 4.060 50 0 GIAARO COc1cccc(CNC(=O)Nc2ccccc2C[NH+]2CCCCC2)c1OC ZINC000095520272 208219517 /nfs/dbraw/zinc/21/95/17/208219517.db2.gz SWMZKJYRQGPXQT-UHFFFAOYSA-N 1 0 383.492 4.011 50 0 GIAARO CCCCN(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000095957854 208244413 /nfs/dbraw/zinc/24/44/13/208244413.db2.gz UDJXPHIESULKAM-UHFFFAOYSA-N 1 0 397.538 4.456 50 0 GIAARO COc1ccc(-c2nc(NC(=O)c3ccn4c[nH+]cc4c3)sc2C)cc1OC ZINC000095972831 208247803 /nfs/dbraw/zinc/24/78/03/208247803.db2.gz LAWWHBIQZFWHDN-UHFFFAOYSA-N 1 0 394.456 4.036 50 0 GIAARO C[C@@H](CCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000097016640 208332651 /nfs/dbraw/zinc/33/26/51/208332651.db2.gz TUSYKBNVQFVSGR-LIRRHRJNSA-N 1 0 398.890 4.218 50 0 GIAARO Cc1ccc([C@H](CC(=O)NCCC[NH+](C)C)c2ccc(OC(C)C)cc2)cc1 ZINC000002389184 208502895 /nfs/dbraw/zinc/50/28/95/208502895.db2.gz BWWXTWGITFHORH-QHCPKHFHSA-N 1 0 382.548 4.372 50 0 GIAARO COc1ccc(C2=NN(C(=O)CC[NH+]3CCCCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000005526912 208671832 /nfs/dbraw/zinc/67/18/32/208671832.db2.gz LNKSHVAGNISWHA-HSZRJFAPSA-N 1 0 391.515 4.249 50 0 GIAARO CCCOc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000230139601 209005529 /nfs/dbraw/zinc/00/55/29/209005529.db2.gz PWJTXWXSQISESL-PZJWPPBQSA-N 1 0 396.531 4.024 50 0 GIAARO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000096113979 209010551 /nfs/dbraw/zinc/01/05/51/209010551.db2.gz XNSUPKAJFXOXLL-HGSOSGBHSA-N 1 0 396.575 4.083 50 0 GIAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c1C ZINC000247961367 209029461 /nfs/dbraw/zinc/02/94/61/209029461.db2.gz FGMIPAAFTKFLMS-GOSISDBHSA-N 1 0 376.504 4.041 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)nc2ccccc21 ZINC000248264899 209033050 /nfs/dbraw/zinc/03/30/50/209033050.db2.gz SBFYJGYUNTWSLQ-ICSRJNTNSA-N 1 0 390.531 4.146 50 0 GIAARO CCCCN(CCC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000249681523 209033265 /nfs/dbraw/zinc/03/32/65/209033265.db2.gz BKZIIQCWHFKWLH-LJQANCHMSA-N 1 0 384.568 4.307 50 0 GIAARO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000253393150 209038984 /nfs/dbraw/zinc/03/89/84/209038984.db2.gz AFVNDNOBNVMNSE-JFTIXFDTSA-N 1 0 398.591 4.464 50 0 GIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(OC)ccc23)c(OC)c1 ZINC000007740022 221009564 /nfs/dbraw/zinc/00/95/64/221009564.db2.gz UZQJEWVRCUNUGM-HXUWFJFHSA-N 1 0 395.455 4.156 50 0 GIAARO CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000007985271 221018560 /nfs/dbraw/zinc/01/85/60/221018560.db2.gz XFHGCSUHHUCABC-KRWDZBQOSA-N 1 0 385.533 4.003 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000012855500 221238561 /nfs/dbraw/zinc/23/85/61/221238561.db2.gz MTWPEMVBDJEVRW-UHFFFAOYSA-N 1 0 378.438 4.406 50 0 GIAARO Cc1cccc(NC(=O)CCC2CC[NH+](Cc3ccc4nonc4c3)CC2)c1 ZINC000015064007 221327435 /nfs/dbraw/zinc/32/74/35/221327435.db2.gz OBRJLQIVRRLESI-UHFFFAOYSA-N 1 0 378.476 4.162 50 0 GIAARO COc1ccc([C@H](CNC(=S)Nc2ccc(F)cc2F)[NH+]2CCCC2)cc1 ZINC000016315648 221361043 /nfs/dbraw/zinc/36/10/43/221361043.db2.gz PHMNSPBKLWJHCY-IBGZPJMESA-N 1 0 391.487 4.097 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1 ZINC000016599680 221365798 /nfs/dbraw/zinc/36/57/98/221365798.db2.gz ZNWLTGACLVMGOR-IBGZPJMESA-N 1 0 383.492 4.066 50 0 GIAARO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016607500 221366715 /nfs/dbraw/zinc/36/67/15/221366715.db2.gz QJVAYPWVFKPWLD-UHFFFAOYSA-N 1 0 391.284 4.439 50 0 GIAARO Cc1ccc(NC(=O)C2([NH+]3CCN(c4ccccc4)CC3)CCCCC2)cc1 ZINC000058012546 136154276 /nfs/dbraw/zinc/15/42/76/136154276.db2.gz CEFHOSVHIDNVCW-UHFFFAOYSA-N 1 0 377.532 4.459 50 0 GIAARO CCCC[NH+]1CCN(c2ncccc2-c2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000065117722 136159289 /nfs/dbraw/zinc/15/92/89/136159289.db2.gz OUMDQRXITAOGFH-UHFFFAOYSA-N 1 0 397.910 4.374 50 0 GIAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000070928949 136165354 /nfs/dbraw/zinc/16/53/54/136165354.db2.gz MLTVMVNUQGSYCY-UHFFFAOYSA-N 1 0 378.398 4.139 50 0 GIAARO Cc1cc(N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)nc(C(C)C)n1 ZINC000072159461 136167359 /nfs/dbraw/zinc/16/73/59/136167359.db2.gz PRFPNNFCZZIOPL-OAQYLSRUSA-N 1 0 393.579 4.008 50 0 GIAARO Clc1ccc(C[N@@H+]2CC[C@H](C3CCN(c4ncnc5c4CCC5)CC3)C2)cc1 ZINC000072171317 136167442 /nfs/dbraw/zinc/16/74/42/136167442.db2.gz SOZJVGJQTJNNBI-IBGZPJMESA-N 1 0 396.966 4.357 50 0 GIAARO Cc1ccc(N2CCC3(CCC[N@@H+]3Cc3ccc([C@H]4CCCO4)s3)CC2)nn1 ZINC000072424263 136169821 /nfs/dbraw/zinc/16/98/21/136169821.db2.gz LQQFKZBPZLMXEH-LJQANCHMSA-N 1 0 398.576 4.333 50 0 GIAARO CCc1ncc(C[N@@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)cn1 ZINC000072435805 136170352 /nfs/dbraw/zinc/17/03/52/136170352.db2.gz NYGBDRPCQMRIKF-UHFFFAOYSA-N 1 0 387.531 4.222 50 0 GIAARO Cc1cc2c(ncnc2N2CCC([NH2+][C@@H](c3ncccc3C)C3CC3)CC2)s1 ZINC000096166687 136184835 /nfs/dbraw/zinc/18/48/35/136184835.db2.gz BRZTZQLKJMZSHM-HXUWFJFHSA-N 1 0 393.560 4.413 50 0 GIAARO C[N@H+](Cc1ccccc1NCC(=O)NC(=O)Nc1ccccc1)C1CCCCC1 ZINC000010170575 523377520 /nfs/dbraw/zinc/37/75/20/523377520.db2.gz VZNJCXOHIFPWHP-UHFFFAOYSA-N 1 0 394.519 4.211 50 0 GIAARO Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)sc2nc(C)cc(C)c12 ZINC000032729984 525619634 /nfs/dbraw/zinc/61/96/34/525619634.db2.gz ZVWULAYJJIRWEZ-KRWDZBQOSA-N 1 0 385.508 4.393 50 0 GIAARO CC(C)c1ccc(CN2CCC[C@]3(CC[N@H+](CCc4ccccn4)C3)C2=O)cc1 ZINC000426382616 528092990 /nfs/dbraw/zinc/09/29/90/528092990.db2.gz GYRHYDVQJVYPDH-RUZDIDTESA-N 1 0 391.559 4.262 50 0 GIAARO CCOc1ccccc1-c1cnc(N2CC[NH+](C)CC2)nc1-c1ccc(C)cc1 ZINC000065373691 535481827 /nfs/dbraw/zinc/48/18/27/535481827.db2.gz WIFSENGOCDOFGY-UHFFFAOYSA-N 1 0 388.515 4.270 50 0 GIAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095500698 535936982 /nfs/dbraw/zinc/93/69/82/535936982.db2.gz MNNNYZDLANWXKU-QGZVFWFLSA-N 1 0 383.927 4.030 50 0 GIAARO CC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000048325026 570235994 /nfs/dbraw/zinc/23/59/94/570235994.db2.gz KONAGHPIXCRGDD-UHFFFAOYSA-N 1 0 382.508 4.055 50 0 GIAARO FC(F)Oc1ccccc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000048355320 570243602 /nfs/dbraw/zinc/24/36/02/570243602.db2.gz PVDGQODXMDGDAP-UHFFFAOYSA-N 1 0 386.192 4.069 50 0 GIAARO CCOCC1CC[NH+]([C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 ZINC000112993825 570262376 /nfs/dbraw/zinc/26/23/76/570262376.db2.gz NFAOSOWCIHWVII-JOCHJYFZSA-N 1 0 382.504 4.124 50 0 GIAARO COc1ccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1F ZINC000049581227 570271527 /nfs/dbraw/zinc/27/15/27/570271527.db2.gz KCTMYLRTAHHTAH-QGZVFWFLSA-N 1 0 396.462 4.307 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)n(-c2ccccc2)n1 ZINC000012874957 570274358 /nfs/dbraw/zinc/27/43/58/570274358.db2.gz IXDIIVGGVQSRJY-JOCHJYFZSA-N 1 0 380.467 4.245 50 0 GIAARO O=c1[nH]c(SCc2ccc(Br)cc2)ncc1C[NH+]1CCCCC1 ZINC000035244681 570277121 /nfs/dbraw/zinc/27/71/21/570277121.db2.gz ORMPRAMBYNMKFT-UHFFFAOYSA-N 1 0 394.338 4.223 50 0 GIAARO CC(C)c1nccc(CN2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000215535473 570289695 /nfs/dbraw/zinc/28/96/95/570289695.db2.gz IJKHPTSRNAUSQK-DEOSSOPVSA-N 1 0 378.564 4.478 50 0 GIAARO Cc1cc([C@@H]2C[C@H](C(=O)NC3CC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716646 570319575 /nfs/dbraw/zinc/31/95/75/570319575.db2.gz IEWAIOTWEUUXAC-MOPGFXCFSA-N 1 0 384.470 4.158 50 0 GIAARO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023387083 570322495 /nfs/dbraw/zinc/32/24/95/570322495.db2.gz SCLGTFNWJIMCSO-FQEVSTJZSA-N 1 0 388.939 4.025 50 0 GIAARO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023387085 570322576 /nfs/dbraw/zinc/32/25/76/570322576.db2.gz SCLGTFNWJIMCSO-HXUWFJFHSA-N 1 0 388.939 4.025 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000050028024 570328422 /nfs/dbraw/zinc/32/84/22/570328422.db2.gz XRYBTGAGLPNSOK-QGZVFWFLSA-N 1 0 385.895 4.149 50 0 GIAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc(-c3cnn(C)c3)n2)cc1 ZINC000053722154 570338919 /nfs/dbraw/zinc/33/89/19/570338919.db2.gz PGMGARVICNTPMV-HNNXBMFYSA-N 1 0 395.532 4.170 50 0 GIAARO Nc1c(C(=O)c2ccccc2)sc2nsc(SCC[NH+]3CCCC3)c12 ZINC000004335485 570369166 /nfs/dbraw/zinc/36/91/66/570369166.db2.gz ZOKBHFIHDFACHC-UHFFFAOYSA-N 1 0 389.571 4.359 50 0 GIAARO COc1ccccc1N1CC[NH+](C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000004703450 570395225 /nfs/dbraw/zinc/39/52/25/570395225.db2.gz RWUBMOVNJMETCZ-UHFFFAOYSA-N 1 0 399.966 4.135 50 0 GIAARO CC[NH+](CC)CCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC)cc21 ZINC000004728761 570398592 /nfs/dbraw/zinc/39/85/92/570398592.db2.gz JTVFPSMILIWOJL-UHFFFAOYSA-N 1 0 395.503 4.360 50 0 GIAARO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1)N1CCCCCC1 ZINC000004745213 570401693 /nfs/dbraw/zinc/40/16/93/570401693.db2.gz YYMVVDYXESRLFA-QGZVFWFLSA-N 1 0 379.342 4.064 50 0 GIAARO CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000005044128 570405182 /nfs/dbraw/zinc/40/51/82/570405182.db2.gz VEAGHIUTBUYDPV-RHSMWYFYSA-N 1 0 389.927 4.430 50 0 GIAARO O=C1C[C@@H]([NH2+]CCC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Cl)cc1 ZINC000004809658 570407072 /nfs/dbraw/zinc/40/70/72/570407072.db2.gz MXQKYQGONAAXME-FRXJQHJJSA-N 1 0 386.923 4.168 50 0 GIAARO O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000033028461 570409136 /nfs/dbraw/zinc/40/91/36/570409136.db2.gz KXFGXQBORGDDKC-LHUXKHBRSA-N 1 0 398.890 4.035 50 0 GIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004953229 570419798 /nfs/dbraw/zinc/41/97/98/570419798.db2.gz QJHGKFMCFXPLNQ-UHFFFAOYSA-N 1 0 398.547 4.340 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3c(C)cccc3C)C2)cc1OC ZINC000005017762 570424011 /nfs/dbraw/zinc/42/40/11/570424011.db2.gz QSVNBDGOVAQFFK-LJQANCHMSA-N 1 0 382.504 4.171 50 0 GIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1c(F)cccc1Cl ZINC000005019812 570424415 /nfs/dbraw/zinc/42/44/15/570424415.db2.gz HAYMRRFMNMTFMJ-OAHLLOKOSA-N 1 0 379.859 4.335 50 0 GIAARO CC1CC[NH+](C[C@@H](O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000005043778 570425530 /nfs/dbraw/zinc/42/55/30/570425530.db2.gz VWFHIXLNODBBMO-HXUWFJFHSA-N 1 0 387.907 4.043 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000248040778 570436313 /nfs/dbraw/zinc/43/63/13/570436313.db2.gz VPSSYFMTEWWHDP-IPMKNSEASA-N 1 0 376.422 4.228 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1cc(Br)ccc1F)c1ccsc1 ZINC000025811499 570436725 /nfs/dbraw/zinc/43/67/25/570436725.db2.gz OBRALUZRTRPOHV-WUTVXBCWSA-N 1 0 397.313 4.082 50 0 GIAARO CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCC[NH+](C)C)c23)CO1 ZINC000005157599 570442386 /nfs/dbraw/zinc/44/23/86/570442386.db2.gz JZQLBEVXCYUYNN-IBGZPJMESA-N 1 0 394.610 4.407 50 0 GIAARO CCOC(=O)C1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000054260519 570461069 /nfs/dbraw/zinc/46/10/69/570461069.db2.gz YAFFHMFPCAPMJM-QFIPXVFZSA-N 1 0 377.488 4.236 50 0 GIAARO CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCCC[NH+](C)C)c23)CO1 ZINC000005163308 570468071 /nfs/dbraw/zinc/46/80/71/570468071.db2.gz UJEOVMDTJZVBQA-SFHVURJKSA-N 1 0 380.583 4.018 50 0 GIAARO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029484730 570474776 /nfs/dbraw/zinc/47/47/76/570474776.db2.gz CKGUJPRVWLZXFV-HSZRJFAPSA-N 1 0 399.494 4.497 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000005171440 570491684 /nfs/dbraw/zinc/49/16/84/570491684.db2.gz FWNKIOVHCSPUEO-UHFFFAOYSA-N 1 0 384.307 4.419 50 0 GIAARO CC(C)Cn1ccc2cc(NC(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)ccc21 ZINC000072295078 570500978 /nfs/dbraw/zinc/50/09/78/570500978.db2.gz ZDVRLEZRGXLOBD-CZTZKLFOSA-N 1 0 380.536 4.245 50 0 GIAARO Cc1ccc2occ(CN3CC[N@@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)c(=O)c2c1 ZINC000584904397 570504872 /nfs/dbraw/zinc/50/48/72/570504872.db2.gz CQCLHXBXXLTALA-FYYLOGMGSA-N 1 0 380.532 4.330 50 0 GIAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccccc1C ZINC000002693641 570505016 /nfs/dbraw/zinc/50/50/16/570505016.db2.gz GFIZGCNXYXJULC-UHFFFAOYSA-N 1 0 391.540 4.080 50 0 GIAARO CC1CC[NH+](CCCNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)CC1 ZINC000064676919 570517079 /nfs/dbraw/zinc/51/70/79/570517079.db2.gz GOXIJVOOUBDTMN-UHFFFAOYSA-N 1 0 395.482 4.472 50 0 GIAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CCCO2)c(C)c1 ZINC000036031192 570517562 /nfs/dbraw/zinc/51/75/62/570517562.db2.gz ZBCWLNGVSAPTBY-GOTSBHOMSA-N 1 0 383.532 4.033 50 0 GIAARO CC[N@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C[C@H](O)c1ccc(C)cc1 ZINC000072305236 570518433 /nfs/dbraw/zinc/51/84/33/570518433.db2.gz RAHCGKLARGBIHS-NRFANRHFSA-N 1 0 397.494 4.481 50 0 GIAARO CC[NH+](CC)[C@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccccc1 ZINC000006652139 570518880 /nfs/dbraw/zinc/51/88/80/570518880.db2.gz KYRMQSAUVZPSGV-HXUWFJFHSA-N 1 0 396.922 4.381 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008327056 570528538 /nfs/dbraw/zinc/52/85/38/570528538.db2.gz VQIZUNSTFSWHDE-QGZVFWFLSA-N 1 0 382.273 4.028 50 0 GIAARO C(=C/c1ccccc1)\CN1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000019636335 570536282 /nfs/dbraw/zinc/53/62/82/570536282.db2.gz HKQQIGWNXZWLLH-KPKJPENVSA-N 1 0 389.587 4.025 50 0 GIAARO Cc1ccccc1Cc1nc(-c2ccc3c(c2)ncn3CC[NH+]2CCCC2)no1 ZINC000064761132 570537498 /nfs/dbraw/zinc/53/74/98/570537498.db2.gz XVIVIVAIYAVHCG-UHFFFAOYSA-N 1 0 387.487 4.081 50 0 GIAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccccc2C)cc1 ZINC000036104434 570540793 /nfs/dbraw/zinc/54/07/93/570540793.db2.gz GGHBBHSFQHSMHJ-QHCPKHFHSA-N 1 0 391.511 4.446 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1COCC(F)(F)F ZINC000035511215 570553865 /nfs/dbraw/zinc/55/38/65/570553865.db2.gz FSSBNHCXPQQDNG-INIZCTEOSA-N 1 0 384.398 4.408 50 0 GIAARO O=C(Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006730838 570556745 /nfs/dbraw/zinc/55/67/45/570556745.db2.gz MXZRHPHRSQJCML-UHFFFAOYSA-N 1 0 377.410 4.492 50 0 GIAARO COc1ccccc1-c1csc2[nH]c(C[N@H+](C)C3CCCCC3)nc(=O)c12 ZINC000036204186 570568621 /nfs/dbraw/zinc/56/86/21/570568621.db2.gz WDZZFLREGXPGHE-UHFFFAOYSA-N 1 0 383.517 4.425 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4CCOCC4)C3)C2)cc1 ZINC000011662059 570576948 /nfs/dbraw/zinc/57/69/48/570576948.db2.gz PUKNDYFZCMQUMN-XMMPIXPASA-N 1 0 384.564 4.051 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C(C)C)no2)C1 ZINC000011661413 570576980 /nfs/dbraw/zinc/57/69/80/570576980.db2.gz NBWSGNWCKAUTHL-IBGZPJMESA-N 1 0 383.536 4.133 50 0 GIAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000011662249 570577593 /nfs/dbraw/zinc/57/75/93/570577593.db2.gz FZGHPMPQRAWOLJ-KRWDZBQOSA-N 1 0 376.422 4.142 50 0 GIAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1c[nH]nc1-c1ccccc1F ZINC000011664278 570578589 /nfs/dbraw/zinc/57/85/89/570578589.db2.gz MNVRVAWCWKXZPV-INIZCTEOSA-N 1 0 384.499 4.133 50 0 GIAARO Oc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000011839828 570586757 /nfs/dbraw/zinc/58/67/57/570586757.db2.gz SBBGIYXCXXAUJK-HXUWFJFHSA-N 1 0 395.478 4.492 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(CC(C)C)on2)C1 ZINC000011842577 570587262 /nfs/dbraw/zinc/58/72/62/570587262.db2.gz QMHOGGVLZNBITA-FQEVSTJZSA-N 1 0 397.563 4.208 50 0 GIAARO Cc1ccc(-n2cccn2)c(C[NH+]2CCC(CO)(CCc3ccccc3)CC2)c1 ZINC000011843770 570588301 /nfs/dbraw/zinc/58/83/01/570588301.db2.gz DZPNMZDFCKHCJV-UHFFFAOYSA-N 1 0 389.543 4.388 50 0 GIAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000011872942 570588850 /nfs/dbraw/zinc/58/88/50/570588850.db2.gz OGHCZDDEACMJGG-UHFFFAOYSA-N 1 0 382.508 4.000 50 0 GIAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000011932714 570592983 /nfs/dbraw/zinc/59/29/83/570592983.db2.gz PCILXVJGPDOVKE-UHFFFAOYSA-N 1 0 388.515 4.340 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936275 570594032 /nfs/dbraw/zinc/59/40/32/570594032.db2.gz CEAGEJIYAWAGTP-OAQYLSRUSA-N 1 0 398.595 4.003 50 0 GIAARO COc1ccccc1N1CC[C@H](C)[N@H+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000225613828 570594181 /nfs/dbraw/zinc/59/41/81/570594181.db2.gz ZYATWMLRSIVISG-SFHVURJKSA-N 1 0 377.488 4.451 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1ccc2cc[nH]c2c1 ZINC000012003834 570598334 /nfs/dbraw/zinc/59/83/34/570598334.db2.gz PNNNBJWGCOXHRZ-LJQANCHMSA-N 1 0 393.506 4.334 50 0 GIAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000012022899 570598711 /nfs/dbraw/zinc/59/87/11/570598711.db2.gz KKEUATBKRVSKSS-MRXNPFEDSA-N 1 0 395.425 4.158 50 0 GIAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000012022896 570599035 /nfs/dbraw/zinc/59/90/35/570599035.db2.gz KKEUATBKRVSKSS-INIZCTEOSA-N 1 0 395.425 4.158 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C)c3)C2)cc1O ZINC000012028727 570599187 /nfs/dbraw/zinc/59/91/87/570599187.db2.gz SBIGRIFBUPGTAJ-LJQANCHMSA-N 1 0 377.488 4.479 50 0 GIAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cn1 ZINC000012054186 570601434 /nfs/dbraw/zinc/60/14/34/570601434.db2.gz HYVQXLWMLVANDD-VWLOTQADSA-N 1 0 387.527 4.269 50 0 GIAARO C[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307119 570604217 /nfs/dbraw/zinc/60/42/17/570604217.db2.gz ACSAVJNEIAABTA-INIZCTEOSA-N 1 0 395.478 4.364 50 0 GIAARO CCN1CCSc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000006802666 570604308 /nfs/dbraw/zinc/60/43/08/570604308.db2.gz UTVJQTSYDDVBCO-UHFFFAOYSA-N 1 0 395.572 4.013 50 0 GIAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCN1CCOCC1 ZINC000040720769 570605960 /nfs/dbraw/zinc/60/59/60/570605960.db2.gz GJDHZZLICMXUFH-UHFFFAOYSA-N 1 0 390.527 4.149 50 0 GIAARO CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccn1 ZINC000225704019 570606088 /nfs/dbraw/zinc/60/60/88/570606088.db2.gz CDYAFYRHGIVVOX-WMZHIEFXSA-N 1 0 379.548 4.370 50 0 GIAARO c1ccc(-n2nnnc2Oc2ccc(C[NH2+]CCC3=CCCCC3)cc2)cc1 ZINC000040721980 570606324 /nfs/dbraw/zinc/60/63/24/570606324.db2.gz NGQKCPYDRONALG-UHFFFAOYSA-N 1 0 375.476 4.435 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1c(Cl)cccc1Cl ZINC000040722368 570606740 /nfs/dbraw/zinc/60/67/40/570606740.db2.gz VHEOPFMEPSACDV-CQSZACIVSA-N 1 0 384.303 4.442 50 0 GIAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCc3ccc(F)cc3)cc2)cc1 ZINC000040733079 570608846 /nfs/dbraw/zinc/60/88/46/570608846.db2.gz ZFPAAMZLONBJID-UHFFFAOYSA-N 1 0 392.474 4.484 50 0 GIAARO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040744085 570613678 /nfs/dbraw/zinc/61/36/78/570613678.db2.gz AMRHLTARXBFTJG-NSHDSACASA-N 1 0 388.266 4.191 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968148 570619224 /nfs/dbraw/zinc/61/92/24/570619224.db2.gz OMMVONPRYSQHMU-SFHVURJKSA-N 1 0 391.515 4.217 50 0 GIAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000012194103 570622658 /nfs/dbraw/zinc/62/26/58/570622658.db2.gz IXLQCDDBXXHSRH-MRXNPFEDSA-N 1 0 387.911 4.138 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccccc2OC)CC1 ZINC000012208206 570626705 /nfs/dbraw/zinc/62/67/05/570626705.db2.gz JCVYEZGDLBCUGR-UHFFFAOYSA-N 1 0 397.515 4.310 50 0 GIAARO COc1cccc(C2=NN(C(=O)C[N@H+](C)C(C)C)[C@H](c3ccccc3C)C2)c1 ZINC000036344969 570627492 /nfs/dbraw/zinc/62/74/92/570627492.db2.gz AFAZYRTXNAQPMH-QFIPXVFZSA-N 1 0 379.504 4.022 50 0 GIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000012305725 570638793 /nfs/dbraw/zinc/63/87/93/570638793.db2.gz AFDQQMFCZLMGSH-VPVJOJIASA-N 1 0 386.499 4.441 50 0 GIAARO Cc1cccc(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)n1 ZINC000012314257 570640821 /nfs/dbraw/zinc/64/08/21/570640821.db2.gz VUIQHPPMLOQRCW-SFHVURJKSA-N 1 0 399.485 4.043 50 0 GIAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000044912612 570642685 /nfs/dbraw/zinc/64/26/85/570642685.db2.gz DGTNHRJHMINTJL-UHFFFAOYSA-N 1 0 386.923 4.267 50 0 GIAARO O=C(COc1ccc(Cl)cc1Cl)OCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000045221530 570646608 /nfs/dbraw/zinc/64/66/08/570646608.db2.gz UBZWHHLIJZTBIQ-MRXNPFEDSA-N 1 0 394.298 4.405 50 0 GIAARO COc1ccc(-n2cc(C[NH2+]C(C)(C)CO)c(-c3ccccc3Cl)n2)cc1 ZINC000012372876 570648276 /nfs/dbraw/zinc/64/82/76/570648276.db2.gz RTVFHLQSMXWQMM-UHFFFAOYSA-N 1 0 385.895 4.062 50 0 GIAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012386331 570651384 /nfs/dbraw/zinc/65/13/84/570651384.db2.gz AMTBZQFYORMDDI-IBGZPJMESA-N 1 0 387.442 4.443 50 0 GIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000012431948 570660021 /nfs/dbraw/zinc/66/00/21/570660021.db2.gz FAVPOFGLNIDHFP-DEOSSOPVSA-N 1 0 393.506 4.219 50 0 GIAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCCCc1ccccc1 ZINC000012432046 570660081 /nfs/dbraw/zinc/66/00/81/570660081.db2.gz ZOIYERAETUBWJX-UHFFFAOYSA-N 1 0 399.623 4.054 50 0 GIAARO CC1CC[NH+](CC2CCN(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000006877198 570667945 /nfs/dbraw/zinc/66/79/45/570667945.db2.gz MCASHIOQTRILPU-UHFFFAOYSA-N 1 0 394.357 4.425 50 0 GIAARO CC[NH+](CC)CCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000065061152 570669675 /nfs/dbraw/zinc/66/96/75/570669675.db2.gz CPHDBNNTUUUMJW-UHFFFAOYSA-N 1 0 398.938 4.045 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)c2ccccc21 ZINC000012460199 570670703 /nfs/dbraw/zinc/67/07/03/570670703.db2.gz NPOHYXIADXBDOT-QGZVFWFLSA-N 1 0 376.456 4.002 50 0 GIAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](C4CCOCC4)C3)cc2)c1 ZINC000012464393 570671151 /nfs/dbraw/zinc/67/11/51/570671151.db2.gz SDPLRSZNZURNKE-HXUWFJFHSA-N 1 0 394.515 4.192 50 0 GIAARO CCOC(=O)c1c(NC(=O)C[NH2+][C@H](C)c2ccccc2)sc2c1CCCC2 ZINC000054214383 570676740 /nfs/dbraw/zinc/67/67/40/570676740.db2.gz VENTXROOLBSRPW-CQSZACIVSA-N 1 0 386.517 4.093 50 0 GIAARO COc1cc2ccccc2cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000006881575 570676713 /nfs/dbraw/zinc/67/67/13/570676713.db2.gz YSPIMGALIUQWRC-LJQANCHMSA-N 1 0 380.513 4.477 50 0 GIAARO Cc1nc2c(-c3ccccc3)cnn2c(N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000054306884 570677229 /nfs/dbraw/zinc/67/72/29/570677229.db2.gz NOIFJRZJWNLRGE-UHFFFAOYSA-N 1 0 397.526 4.335 50 0 GIAARO O=C1CC[N@@H+](Cc2cccc3cccnc32)CCN1Cc1ccccc1Cl ZINC000055036587 570679627 /nfs/dbraw/zinc/67/96/27/570679627.db2.gz DBGCQPSBPCAPJG-UHFFFAOYSA-N 1 0 379.891 4.123 50 0 GIAARO Cc1cccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)c1 ZINC000012578404 570682785 /nfs/dbraw/zinc/68/27/85/570682785.db2.gz GIAGABIVKHGSDB-UHFFFAOYSA-N 1 0 378.516 4.274 50 0 GIAARO COc1cc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)cc(Cl)c1O ZINC000055133694 570684438 /nfs/dbraw/zinc/68/44/38/570684438.db2.gz ADSZKKQJEIQLEC-UHFFFAOYSA-N 1 0 375.831 4.215 50 0 GIAARO CCCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1C ZINC000012584640 570684895 /nfs/dbraw/zinc/68/48/95/570684895.db2.gz KPCYRDLYHYWCRJ-IBGZPJMESA-N 1 0 383.536 4.322 50 0 GIAARO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1C ZINC000055211960 570687873 /nfs/dbraw/zinc/68/78/73/570687873.db2.gz XGUDROSOWGYBMV-HSZRJFAPSA-N 1 0 392.547 4.122 50 0 GIAARO CCOc1ccc(C[N@H+](C[C@@]2(c3cccc(OC)c3)CCOC2)C2CC2)cc1 ZINC000055404923 570694933 /nfs/dbraw/zinc/69/49/33/570694933.db2.gz BXJLJMCXTAQLLD-DEOSSOPVSA-N 1 0 381.516 4.417 50 0 GIAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)CCOc3ccccc3)nc21 ZINC000004359704 570706368 /nfs/dbraw/zinc/70/63/68/570706368.db2.gz JIIFSZGEFVRALO-UHFFFAOYSA-N 1 0 397.544 4.359 50 0 GIAARO COc1cccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)c1 ZINC000004359576 570706371 /nfs/dbraw/zinc/70/63/71/570706371.db2.gz HKLBGGPUTFYILJ-UHFFFAOYSA-N 1 0 387.480 4.043 50 0 GIAARO CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000012727146 570706745 /nfs/dbraw/zinc/70/67/45/570706745.db2.gz PVFDZNDRQHHWTE-UHFFFAOYSA-N 1 0 385.483 4.258 50 0 GIAARO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000058217903 570720955 /nfs/dbraw/zinc/72/09/55/570720955.db2.gz HAIRCOFRSFMERV-NTDBWNAOSA-N 1 0 378.944 4.280 50 0 GIAARO O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000058407124 570731795 /nfs/dbraw/zinc/73/17/95/570731795.db2.gz IXPNIMGJSAZCID-UHFFFAOYSA-N 1 0 390.531 4.188 50 0 GIAARO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000058433853 570733498 /nfs/dbraw/zinc/73/34/98/570733498.db2.gz XAHSWUCOAKKQQI-AWEZNQCLSA-N 1 0 399.398 4.166 50 0 GIAARO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000059376183 570738276 /nfs/dbraw/zinc/73/82/76/570738276.db2.gz GSUYREPKHWSBSP-IIBYNOLFSA-N 1 0 375.896 4.316 50 0 GIAARO CCc1ccc([C@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)[NH+](C)C)cc1 ZINC000013097257 570746139 /nfs/dbraw/zinc/74/61/39/570746139.db2.gz ZEASCBDEVAUHII-FQEVSTJZSA-N 1 0 396.922 4.163 50 0 GIAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000013117829 570746981 /nfs/dbraw/zinc/74/69/81/570746981.db2.gz KJRDIKRIJPDFGK-IFMALSPDSA-N 1 0 384.545 4.115 50 0 GIAARO CCc1noc(-c2cccnc2N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000065257905 570758944 /nfs/dbraw/zinc/75/89/44/570758944.db2.gz NUQIYYSBVBYEHV-UHFFFAOYSA-N 1 0 397.910 4.060 50 0 GIAARO CCOc1cc(C[NH2+]CCc2ccccc2OC)cc(Br)c1OC ZINC000013719019 570779425 /nfs/dbraw/zinc/77/94/25/570779425.db2.gz XSOIHHVMTWFEFS-UHFFFAOYSA-N 1 0 394.309 4.197 50 0 GIAARO COCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000013722352 570780578 /nfs/dbraw/zinc/78/05/78/570780578.db2.gz YRQINPBFUMHPLY-UHFFFAOYSA-N 1 0 382.273 4.293 50 0 GIAARO O=C(CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc(Cl)c1 ZINC000036643881 570781919 /nfs/dbraw/zinc/78/19/19/570781919.db2.gz WYVHRHQONGKUAS-KRWDZBQOSA-N 1 0 378.925 4.411 50 0 GIAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013774208 570789082 /nfs/dbraw/zinc/78/90/82/570789082.db2.gz OFMPWADIUKHQKX-QFIPXVFZSA-N 1 0 385.915 4.389 50 0 GIAARO CC1CC[NH+](CCc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3n2C)CC1 ZINC000005824515 570794854 /nfs/dbraw/zinc/79/48/54/570794854.db2.gz KGXAXDCTTRIRTC-UHFFFAOYSA-N 1 0 394.494 4.239 50 0 GIAARO CC(C)c1nccc(C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)n1 ZINC000067965248 570798817 /nfs/dbraw/zinc/79/88/17/570798817.db2.gz UUXAIYGNTJCRPL-UHFFFAOYSA-N 1 0 375.520 4.294 50 0 GIAARO COc1ccc([C@H](NC(=O)c2oc3ccc(F)cc3c2C)c2nccn2C)cc1 ZINC000012535103 570835321 /nfs/dbraw/zinc/83/53/21/570835321.db2.gz OLZVQJRNTCCXEM-IBGZPJMESA-N 1 0 393.418 4.142 50 0 GIAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3sccc3-n3cccc3)CC2)cc1 ZINC000032827626 570840785 /nfs/dbraw/zinc/84/07/85/570840785.db2.gz FMXQUBYXSVDRLD-UHFFFAOYSA-N 1 0 379.529 4.195 50 0 GIAARO CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000032819925 570841551 /nfs/dbraw/zinc/84/15/51/570841551.db2.gz ALTQQSCJUVRNPV-HXUWFJFHSA-N 1 0 395.503 4.038 50 0 GIAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)oc3c(C)c(O)ccc23)cc1OC ZINC000032836245 570845966 /nfs/dbraw/zinc/84/59/66/570845966.db2.gz KCIPVMBPNMDXKE-UHFFFAOYSA-N 1 0 397.471 4.236 50 0 GIAARO CN(C)N1c2cc(Cl)ccc2[C@@](CC[NH+](C)C)(c2ccc(Cl)cc2)C1=O ZINC000071767293 570851497 /nfs/dbraw/zinc/85/14/97/570851497.db2.gz LAUTYBKAVHYHMG-HXUWFJFHSA-N 1 0 392.330 4.054 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000032862319 570861015 /nfs/dbraw/zinc/86/10/15/570861015.db2.gz SMRIMHYHEHSTHA-QGZVFWFLSA-N 1 0 389.883 4.273 50 0 GIAARO COc1cc(F)c(-c2nccn2C2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000072142045 570869947 /nfs/dbraw/zinc/86/99/47/570869947.db2.gz KGASRSWOADCYTO-UHFFFAOYSA-N 1 0 384.430 4.069 50 0 GIAARO O=C(Nc1ccccc1O)C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000015043741 570873740 /nfs/dbraw/zinc/87/37/40/570873740.db2.gz RSXILWDPRUEXMJ-UHFFFAOYSA-N 1 0 390.936 4.488 50 0 GIAARO CCCOc1ccccc1[C@H](C)Nc1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072166420 570876319 /nfs/dbraw/zinc/87/63/19/570876319.db2.gz NKWAEIORTQCYGP-HNNXBMFYSA-N 1 0 375.476 4.104 50 0 GIAARO CCCCNC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004552824 570880271 /nfs/dbraw/zinc/88/02/71/570880271.db2.gz WFWSSBLAKXMSHT-UHFFFAOYSA-N 1 0 380.532 4.394 50 0 GIAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268787 570893314 /nfs/dbraw/zinc/89/33/14/570893314.db2.gz JKAFLDLPYCVEOG-UHFFFAOYSA-N 1 0 375.497 4.445 50 0 GIAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)CC1 ZINC000013321671 570895219 /nfs/dbraw/zinc/89/52/19/570895219.db2.gz ITHNKZFLAILXEM-UHFFFAOYSA-N 1 0 388.515 4.163 50 0 GIAARO C[C@H]1CCC[N@H+](CCOCCOc2ccc(Br)cc2Cl)C1 ZINC000002821976 570933163 /nfs/dbraw/zinc/93/31/63/570933163.db2.gz ZSSRJISHTMTSOJ-ZDUSSCGKSA-N 1 0 376.722 4.230 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2F)o1)c1ccsc1 ZINC000047086942 570939599 /nfs/dbraw/zinc/93/95/99/570939599.db2.gz KCXUMADIBIAGDN-QGZVFWFLSA-N 1 0 388.464 4.092 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2COc2ccccc2)C1 ZINC000032936018 570948158 /nfs/dbraw/zinc/94/81/58/570948158.db2.gz YPUQUZSUZOEZHE-PMACEKPBSA-N 1 0 380.532 4.363 50 0 GIAARO CCc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)o1 ZINC000012075835 570958164 /nfs/dbraw/zinc/95/81/64/570958164.db2.gz SYKHYCBXFUGUGU-UHFFFAOYSA-N 1 0 382.504 4.121 50 0 GIAARO Cc1ccc(CN2C[C@@H]3C[C@@H](/C=C/c4ccc(F)cc4)[N@@H+]4CCC[C@@]34C2=O)o1 ZINC000012712792 570967469 /nfs/dbraw/zinc/96/74/69/570967469.db2.gz PZYCOJGMZXHGLW-JUYOWEPASA-N 1 0 380.463 4.006 50 0 GIAARO CC(C)Cn1ccc2cc(NC(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)ccc21 ZINC000106916257 570968515 /nfs/dbraw/zinc/96/85/15/570968515.db2.gz ZDVRLEZRGXLOBD-RCZSKKKRSA-N 1 0 380.536 4.245 50 0 GIAARO Clc1ccccc1COc1cccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000252510747 570980185 /nfs/dbraw/zinc/98/01/85/570980185.db2.gz ZPSXPCSABJHOQP-SFHVURJKSA-N 1 0 386.923 4.078 50 0 GIAARO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000045974160 571007164 /nfs/dbraw/zinc/00/71/64/571007164.db2.gz HFEMCBOJIGLTMU-UHFFFAOYSA-N 1 0 399.922 4.120 50 0 GIAARO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000170670521 571007391 /nfs/dbraw/zinc/00/73/91/571007391.db2.gz WIMVNEJMIPILMQ-YOEHRIQHSA-N 1 0 380.301 4.275 50 0 GIAARO CCCc1nn2c(nc(C[N@H+](CCC)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000046032252 571013340 /nfs/dbraw/zinc/01/33/40/571013340.db2.gz XDNZISFNBYTOJW-UHFFFAOYSA-N 1 0 390.940 4.169 50 0 GIAARO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000012773794 571027373 /nfs/dbraw/zinc/02/73/73/571027373.db2.gz MMIHMZPFDGVMAP-KRWDZBQOSA-N 1 0 382.504 4.181 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)Cc1ccccc1 ZINC000012775881 571028982 /nfs/dbraw/zinc/02/89/82/571028982.db2.gz TVUZYVZGASMNFQ-LJQANCHMSA-N 1 0 386.495 4.213 50 0 GIAARO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000084688916 571031056 /nfs/dbraw/zinc/03/10/56/571031056.db2.gz VDWLYYQKNNUWEP-UWVAXJGDSA-N 1 0 386.561 4.426 50 0 GIAARO CCOc1ccc(CC(=O)N(C)C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000084807981 571039827 /nfs/dbraw/zinc/03/98/27/571039827.db2.gz QNGLCXDMTWIEGO-PMACEKPBSA-N 1 0 394.559 4.243 50 0 GIAARO c1ccc(C[NH+]2CCN(c3nc(-c4ccccn4)nc4ccccc43)CC2)cc1 ZINC000057063795 823245681 /nfs/dbraw/zinc/24/56/81/823245681.db2.gz IHPPNIZLGNQUKL-UHFFFAOYSA-N 1 0 381.483 4.014 50 0 GIAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000002362730 817385824 /nfs/dbraw/zinc/38/58/24/817385824.db2.gz SQJJBRHLZKUZGC-UHFFFAOYSA-N 1 0 391.899 4.059 50 0 GIAARO COc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)c(OC)c1 ZINC000002382594 817386536 /nfs/dbraw/zinc/38/65/36/817386536.db2.gz VUYAHXCPCFREIL-UHFFFAOYSA-N 1 0 394.519 4.152 50 0 GIAARO Cc1cc(OCc2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)o2)ccc1Cl ZINC000002794243 817401334 /nfs/dbraw/zinc/40/13/34/817401334.db2.gz RHJNYOSLLOZYHL-MQVJKMGUSA-N 1 0 388.895 4.175 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000003410870 817450706 /nfs/dbraw/zinc/45/07/06/817450706.db2.gz UZZKDUDIDKNAIU-JOCHJYFZSA-N 1 0 390.483 4.426 50 0 GIAARO CC1(C)C(c2ccc(F)cc2)[N+](=O)[C@]2(CCCCC2N=Nc2ccccc2)N1O ZINC000007813296 817922572 /nfs/dbraw/zinc/92/25/72/817922572.db2.gz HTTLVUYFABOQOC-JOCHJYFZSA-N 1 0 396.466 4.347 50 0 GIAARO CC[N@@H+](Cc1cc(=O)oc2cc(C)c(Cl)cc12)C[C@H]1COc2ccccc2O1 ZINC000057451288 823298935 /nfs/dbraw/zinc/29/89/35/823298935.db2.gz AEMGZXJTDIVNAA-INIZCTEOSA-N 1 0 399.874 4.417 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000007946200 817967015 /nfs/dbraw/zinc/96/70/15/817967015.db2.gz BCNUQPZUAJZJOR-UHFFFAOYSA-N 1 0 390.531 4.261 50 0 GIAARO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)=O)c1ccc(Br)cc1 ZINC000057460475 823299745 /nfs/dbraw/zinc/29/97/45/823299745.db2.gz LEPBBRNVYXPXDL-QGZVFWFLSA-N 1 0 389.293 4.331 50 0 GIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000008157211 818008482 /nfs/dbraw/zinc/00/84/82/818008482.db2.gz OGALBCONNHVXPQ-FQEVSTJZSA-N 1 0 399.466 4.100 50 0 GIAARO Cc1ccc2nc(C[N@H+](Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n2c1 ZINC000008166005 818009813 /nfs/dbraw/zinc/00/98/13/818009813.db2.gz JAASQRRPPGUDJQ-UHFFFAOYSA-N 1 0 379.479 4.477 50 0 GIAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000008262379 818026524 /nfs/dbraw/zinc/02/65/24/818026524.db2.gz KJRDIKRIJPDFGK-IRLDBZIGSA-N 1 0 384.545 4.115 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccnc2)c(F)c1 ZINC000011667035 818107329 /nfs/dbraw/zinc/10/73/29/818107329.db2.gz XXWNTZKVFBIPSO-UHFFFAOYSA-N 1 0 388.446 4.372 50 0 GIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000011668243 818107372 /nfs/dbraw/zinc/10/73/72/818107372.db2.gz QYQZKAVGOPRUNM-GOSISDBHSA-N 1 0 378.501 4.056 50 0 GIAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)cc1OC ZINC000011821621 818123887 /nfs/dbraw/zinc/12/38/87/818123887.db2.gz HCEBPCYRQPNELV-KRWDZBQOSA-N 1 0 392.446 4.382 50 0 GIAARO C[C@@H](CC(F)(F)F)[NH+]1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000011817201 818124041 /nfs/dbraw/zinc/12/40/41/818124041.db2.gz AWCOMFTYSFQPTR-HNNXBMFYSA-N 1 0 394.441 4.042 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CCC(F)(F)F ZINC000011818473 818124064 /nfs/dbraw/zinc/12/40/64/818124064.db2.gz UQEPDRRTTVVVBL-UHFFFAOYSA-N 1 0 384.486 4.441 50 0 GIAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(n2c3ccc(F)cc3nc2C2CCC2)CC1 ZINC000011911624 818128360 /nfs/dbraw/zinc/12/83/60/818128360.db2.gz GMQSSXOAKOVFCH-OAQYLSRUSA-N 1 0 398.526 4.091 50 0 GIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccn2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011938444 818130041 /nfs/dbraw/zinc/13/00/41/818130041.db2.gz ZPXXBKSFBGFRPV-FQEVSTJZSA-N 1 0 385.511 4.391 50 0 GIAARO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cccc4cccnc43)[N@@H+]3CCC[C@@]123 ZINC000011998482 818135441 /nfs/dbraw/zinc/13/54/41/818135441.db2.gz ZMGNYPGKTQAVFC-KJOQGJGQSA-N 1 0 397.522 4.215 50 0 GIAARO OCC1(Cc2ccccc2)CC[NH+](C2CCN(c3ccccc3F)CC2)CC1 ZINC000012076579 818140492 /nfs/dbraw/zinc/14/04/92/818140492.db2.gz ZVIVDOOXZLLGIN-UHFFFAOYSA-N 1 0 382.523 4.112 50 0 GIAARO CC(C)(C)C[NH+]1CCC2(C[C@H]2C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000012098800 818141813 /nfs/dbraw/zinc/14/18/13/818141813.db2.gz RHYBKJQNNKABSP-KRWDZBQOSA-N 1 0 382.470 4.470 50 0 GIAARO CCOc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012192718 818145775 /nfs/dbraw/zinc/14/57/75/818145775.db2.gz ICDCSARZGZBSCJ-RSEQLOHWSA-N 1 0 390.527 4.332 50 0 GIAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)cc1OC ZINC000012316797 818154443 /nfs/dbraw/zinc/15/44/43/818154443.db2.gz ARAQJHJCCUBYBW-FQEVSTJZSA-N 1 0 392.503 4.170 50 0 GIAARO Cc1ccccc1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057622227 823316197 /nfs/dbraw/zinc/31/61/97/823316197.db2.gz PBFOOXZUJUULSF-UHFFFAOYSA-N 1 0 399.538 4.498 50 0 GIAARO Fc1cccc(-c2cnnc(NC[C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000012385330 818156632 /nfs/dbraw/zinc/15/66/32/818156632.db2.gz HAUFTMZIJIXHTP-IBGZPJMESA-N 1 0 391.494 4.044 50 0 GIAARO CCOC(=O)C1(CC2CC2)CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000012459759 818161902 /nfs/dbraw/zinc/16/19/02/818161902.db2.gz CEUUBUPCIQSIBS-UHFFFAOYSA-N 1 0 384.564 4.096 50 0 GIAARO O=C(c1ccc2[nH]ccc2c1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012476849 818163043 /nfs/dbraw/zinc/16/30/43/818163043.db2.gz QKPKADVZVUUVMN-RUZDIDTESA-N 1 0 387.527 4.339 50 0 GIAARO CCc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012597217 818169976 /nfs/dbraw/zinc/16/99/76/818169976.db2.gz PYYHMLDMPCZXSD-DEOSSOPVSA-N 1 0 395.547 4.106 50 0 GIAARO COC[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)C1 ZINC000012718793 818178240 /nfs/dbraw/zinc/17/82/40/818178240.db2.gz UNJRJZIRFUHKIL-QGZVFWFLSA-N 1 0 395.478 4.155 50 0 GIAARO Cc1nn(C)c(Cl)c1CN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000015064227 818286881 /nfs/dbraw/zinc/28/68/81/818286881.db2.gz IBUHKWDCODGPBV-QFIPXVFZSA-N 1 0 386.971 4.178 50 0 GIAARO O=C1C[C@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000020271840 818617793 /nfs/dbraw/zinc/61/77/93/818617793.db2.gz IZYOWRKEIJUDOO-NRFANRHFSA-N 1 0 378.472 4.281 50 0 GIAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)c1OC ZINC000020454477 818622152 /nfs/dbraw/zinc/62/21/52/818622152.db2.gz NYUDFZQPHBHPOI-JOCHJYFZSA-N 1 0 386.561 4.253 50 0 GIAARO Cc1ccc(-c2nc(C(=O)NCCC[NH+](C)C)cc3c4ccccc4[nH]c32)cc1 ZINC000020611441 818627311 /nfs/dbraw/zinc/62/73/11/818627311.db2.gz WDNCPZMGPMBMSD-UHFFFAOYSA-N 1 0 386.499 4.373 50 0 GIAARO Cc1ncc2c(c1-c1noc(C[C@H](c3ccco3)c3ccccc3)n1)CC[NH2+]C2 ZINC000020996342 818645531 /nfs/dbraw/zinc/64/55/31/818645531.db2.gz PTLGCRSOPPZRBQ-IBGZPJMESA-N 1 0 386.455 4.053 50 0 GIAARO O=C(c1cc2c(s1)-c1ccccc1OC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000058060874 823358480 /nfs/dbraw/zinc/35/84/80/823358480.db2.gz RZZYHUAWPULMMZ-UHFFFAOYSA-N 1 0 382.529 4.398 50 0 GIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000058157231 823365794 /nfs/dbraw/zinc/36/57/94/823365794.db2.gz NUSCRDPGTDPQHA-UHFFFAOYSA-N 1 0 388.515 4.016 50 0 GIAARO Fc1ccc(Nc2ncc(C[N@@H+]3CCC[C@@H](Cn4ccnc4)C3)s2)c(F)c1 ZINC000023340430 818924114 /nfs/dbraw/zinc/92/41/14/818924114.db2.gz YWVWFLHZTUQFNJ-CQSZACIVSA-N 1 0 389.475 4.274 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000039979597 821123917 /nfs/dbraw/zinc/12/39/17/821123917.db2.gz MIMUTVNMHSRQOW-JOCHJYFZSA-N 1 0 378.520 4.399 50 0 GIAARO COc1ccccc1[C@H](CNc1nc(-c2ccncc2)nc2ccccc21)[NH+](C)C ZINC000040040258 821126942 /nfs/dbraw/zinc/12/69/42/821126942.db2.gz NKVBLRKGHXNGRN-NRFANRHFSA-N 1 0 399.498 4.415 50 0 GIAARO O=C(Nc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1)C1CCC1 ZINC000040091392 821135842 /nfs/dbraw/zinc/13/58/42/821135842.db2.gz VQACVJUHKMKGPM-UHFFFAOYSA-N 1 0 378.451 4.244 50 0 GIAARO CCOc1ccc(SCC(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000040146322 821149647 /nfs/dbraw/zinc/14/96/47/821149647.db2.gz QEVCUHIXYDPTLI-SFHVURJKSA-N 1 0 382.529 4.189 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000040157100 821152061 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GIAARO COc1ccc2c(c1)CCC[C@H]2[NH+]1CC(Cn2c(C)cnc2-c2ccncc2)C1 ZINC000575548922 823976608 /nfs/dbraw/zinc/97/66/08/823976608.db2.gz FMWIBJXRZYWAPC-HSZRJFAPSA-N 1 0 388.515 4.272 50 0 GIAARO Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000575556473 823977778 /nfs/dbraw/zinc/97/77/78/823977778.db2.gz AGYOAOAQOXLOJG-KRWDZBQOSA-N 1 0 376.504 4.032 50 0 GIAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2cccnc2)cs1 ZINC000004916279 209120434 /nfs/dbraw/zinc/12/04/34/209120434.db2.gz DHPKYRLRVIBWPE-WBMJQRKESA-N 1 0 382.411 4.212 50 0 GIAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccccn2)cs1 ZINC000004914638 209119687 /nfs/dbraw/zinc/11/96/87/209119687.db2.gz ATYYXAQYTSSQMS-ZBEGNZNMSA-N 1 0 382.411 4.212 50 0 GIAARO COc1cc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133646 209112493 /nfs/dbraw/zinc/11/24/93/209112493.db2.gz RSUHQZIEPNTZEA-OAQYLSRUSA-N 1 0 378.944 4.142 50 0 GIAARO Cc1cc(N2CCC(CNC(=O)c3csc(-c4ccccc4)n3)CC2)cc[nH+]1 ZINC000244933221 206280153 /nfs/dbraw/zinc/28/01/53/206280153.db2.gz CHYHNEKNVMHRSG-UHFFFAOYSA-N 1 0 392.528 4.160 50 0 GIAARO CSc1ccc(/C=C/C(=O)NCC2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC000253402804 206282399 /nfs/dbraw/zinc/28/23/99/206282399.db2.gz OTQYRIJBEOQGFS-VMPITWQZSA-N 1 0 381.545 4.158 50 0 GIAARO CC(C)C[NH+](CCOc1cccc(N2C(=O)C3=C(CCCC3)C2=O)c1)CC(C)C ZINC000000704264 206317418 /nfs/dbraw/zinc/31/74/18/206317418.db2.gz OYTKEIJLRHGTLK-UHFFFAOYSA-N 1 0 398.547 4.423 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCCCCC1)C[C@H](C)CC2 ZINC000000710218 206318326 /nfs/dbraw/zinc/31/83/26/206318326.db2.gz VNWVEUVEWSPJLR-OAHLLOKOSA-N 1 0 392.565 4.254 50 0 GIAARO CCC[NH+](CCC)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000000722325 206319138 /nfs/dbraw/zinc/31/91/38/206319138.db2.gz WOKKBEFVBBFPPK-AWEZNQCLSA-N 1 0 380.554 4.110 50 0 GIAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(OC)c(OC)c3)nc21 ZINC000000834163 206326432 /nfs/dbraw/zinc/32/64/32/206326432.db2.gz QCPDMMHRRCVZLY-UHFFFAOYSA-N 1 0 392.503 4.315 50 0 GIAARO O=C(CC[NH+]1CCCCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000001053101 206347201 /nfs/dbraw/zinc/34/72/01/206347201.db2.gz WAIDUJRAAUWBJD-IBGZPJMESA-N 1 0 385.895 4.487 50 0 GIAARO CCSc1nc2sc3c(c2c(NCC[NH+](CC)CC)n1)CC(C)(C)OC3 ZINC000002400709 206414386 /nfs/dbraw/zinc/41/43/86/206414386.db2.gz XVYUSHGXNRINLW-UHFFFAOYSA-N 1 0 394.610 4.408 50 0 GIAARO O[C@@H](C[NH2+]C[C@H]1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004192517 206507693 /nfs/dbraw/zinc/50/76/93/206507693.db2.gz VWROENVTHCVTHF-JKSUJKDBSA-N 1 0 393.314 4.231 50 0 aggregator GIAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2NCC[NH+]1CCCCCC1 ZINC000005058888 206588831 /nfs/dbraw/zinc/58/88/31/206588831.db2.gz CCEICBOZZDIVBG-UHFFFAOYSA-N 1 0 393.535 4.310 50 0 GIAARO CC(C)Cn1cc(NC(=O)NCC[N@H+](C)C2CCCCC2)c2ccccc2c1=O ZINC000007001093 206699472 /nfs/dbraw/zinc/69/94/72/206699472.db2.gz KTXQQZFDCAPEHB-UHFFFAOYSA-N 1 0 398.551 4.044 50 0 GIAARO O=C(CCc1nc2ccccc2s1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008405592 206751181 /nfs/dbraw/zinc/75/11/81/206751181.db2.gz AZFWRPBOFJWOJN-UHFFFAOYSA-N 1 0 379.529 4.141 50 0 GIAARO COc1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)CCC3)[NH+]2CCCCC2)cc1 ZINC000008341308 206749212 /nfs/dbraw/zinc/74/92/12/206749212.db2.gz CWPNMTXDQHWZGR-XMMPIXPASA-N 1 0 392.543 4.070 50 0 GIAARO CC(C)[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000010035937 206806361 /nfs/dbraw/zinc/80/63/61/206806361.db2.gz KYBRAAHFNVQRGW-QFIPXVFZSA-N 1 0 383.511 4.487 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000010134057 206806861 /nfs/dbraw/zinc/80/68/61/206806861.db2.gz VPSSYFMTEWWHDP-CEXWTWQISA-N 1 0 376.422 4.228 50 0 GIAARO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cc(Cl)c1OC ZINC000011821712 206836843 /nfs/dbraw/zinc/83/68/43/206836843.db2.gz MRRMYFIZPPUCGX-KRWDZBQOSA-N 1 0 398.894 4.105 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cccnc4)C3)C2)cc1 ZINC000012210577 206872134 /nfs/dbraw/zinc/87/21/34/206872134.db2.gz NMXLYSKZFOXVHQ-DEOSSOPVSA-N 1 0 377.532 4.333 50 0 GIAARO Cc1ccc(C[NH2+]C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)o1 ZINC000012242952 206875302 /nfs/dbraw/zinc/87/53/02/206875302.db2.gz CGJFBUDNJFZUMK-UHFFFAOYSA-N 1 0 381.520 4.019 50 0 GIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cn[nH]c2)C2CCCC2)CC1 ZINC000012760399 206932834 /nfs/dbraw/zinc/93/28/34/206932834.db2.gz UBXRKWOXFHHJRG-UHFFFAOYSA-N 1 0 394.563 4.058 50 0 GIAARO C[N@H+](CCOc1ccccc1F)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000014079350 207009693 /nfs/dbraw/zinc/00/96/93/207009693.db2.gz RCTHDLZIZLCPCN-UHFFFAOYSA-N 1 0 385.266 4.472 50 0 GIAARO Cc1ccc2c(c1)cc(C[NH2+]CCc1ccccn1)c(=O)n2Cc1ccccc1C ZINC000014882852 207031732 /nfs/dbraw/zinc/03/17/32/207031732.db2.gz IFZYVEVKEYWPKH-UHFFFAOYSA-N 1 0 397.522 4.394 50 0 GIAARO O=C(c1ccsc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000014947770 207032165 /nfs/dbraw/zinc/03/21/65/207032165.db2.gz ATWLXBSCVBQDGS-HXUWFJFHSA-N 1 0 376.472 4.155 50 0 GIAARO COc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1F ZINC000014957443 207032737 /nfs/dbraw/zinc/03/27/37/207032737.db2.gz AJUZKPSQZKTMAS-FQEVSTJZSA-N 1 0 384.495 4.004 50 0 GIAARO CSc1ccccc1C(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000014952118 207032860 /nfs/dbraw/zinc/03/28/60/207032860.db2.gz SRWBDBXURONDSD-UHFFFAOYSA-N 1 0 382.573 4.435 50 0 GIAARO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)o1 ZINC000014971623 207037549 /nfs/dbraw/zinc/03/75/49/207037549.db2.gz IUKVQUMIGPTCCF-UHFFFAOYSA-N 1 0 392.503 4.057 50 0 GIAARO CCCCc1ncc(C[NH+]2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)[nH]1 ZINC000015078155 207046327 /nfs/dbraw/zinc/04/63/27/207046327.db2.gz LSJHKCPZJNUBHF-UHFFFAOYSA-N 1 0 396.579 4.403 50 0 GIAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000015066954 207043144 /nfs/dbraw/zinc/04/31/44/207043144.db2.gz NLCNLQRCXGNIJG-SFHVURJKSA-N 1 0 393.462 4.115 50 0 GIAARO O=C(Nc1ccccc1F)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000015726931 207056550 /nfs/dbraw/zinc/05/65/50/207056550.db2.gz XCUJOHYHAFNQJA-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO CCc1cccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)c1 ZINC000015727006 207056732 /nfs/dbraw/zinc/05/67/32/207056732.db2.gz BPFILAPPIKNPJD-UHFFFAOYSA-N 1 0 392.478 4.293 50 0 GIAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccc(CN4CCOCC4)cc3)o2)cc1 ZINC000017318235 207090007 /nfs/dbraw/zinc/09/00/07/207090007.db2.gz YEEKXYIRQJXYEO-UHFFFAOYSA-N 1 0 380.463 4.208 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000017911462 207090976 /nfs/dbraw/zinc/09/09/76/207090976.db2.gz RONNJROAXRRVPD-JOCHJYFZSA-N 1 0 382.504 4.049 50 0 GIAARO COc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000017911476 207091230 /nfs/dbraw/zinc/09/12/30/207091230.db2.gz GNBVJYRVVGSSLV-XMMPIXPASA-N 1 0 388.511 4.344 50 0 GIAARO Clc1ccc(CN2CCC[C@H]([NH2+]Cc3cccn3-c3ccccn3)C2)cc1 ZINC000019223550 207109254 /nfs/dbraw/zinc/10/92/54/207109254.db2.gz HXEBVQRCIPFAPB-FQEVSTJZSA-N 1 0 380.923 4.280 50 0 GIAARO Clc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019361678 207118568 /nfs/dbraw/zinc/11/85/68/207118568.db2.gz FGSRSMKVYINSSC-UHFFFAOYSA-N 1 0 383.967 4.122 50 0 GIAARO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)CC1 ZINC000019744720 207158328 /nfs/dbraw/zinc/15/83/28/207158328.db2.gz CCIQXPOKODQRNF-QGZVFWFLSA-N 1 0 378.507 4.256 50 0 GIAARO CN(Cc1ccc(Cn2cccn2)cc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019838605 207166355 /nfs/dbraw/zinc/16/63/55/207166355.db2.gz OOZMGHJUTKXETE-RUZDIDTESA-N 1 0 388.559 4.070 50 0 GIAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccccc1F ZINC000019872074 207168893 /nfs/dbraw/zinc/16/88/93/207168893.db2.gz YXXSTVRBWJVEGZ-OAQYLSRUSA-N 1 0 381.447 4.237 50 0 GIAARO Cc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)s1 ZINC000020208046 207184512 /nfs/dbraw/zinc/18/45/12/207184512.db2.gz ZZUYAGDUNGVWNH-UHFFFAOYSA-N 1 0 384.545 4.336 50 0 GIAARO COc1ccc(C[NH2+]CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC ZINC000020365922 207190211 /nfs/dbraw/zinc/19/02/11/207190211.db2.gz ZZAJJFZTHJQWAP-UHFFFAOYSA-N 1 0 399.437 4.008 50 0 GIAARO Cc1cccc([C@@](O)(c2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000020440659 207192595 /nfs/dbraw/zinc/19/25/95/207192595.db2.gz DGRSYBGFFBYEHK-FTJBHMTQSA-N 1 0 387.523 4.347 50 0 GIAARO COc1ccc([C@](O)(CCC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440807 207192978 /nfs/dbraw/zinc/19/29/78/207192978.db2.gz YTUJAJLUZJTQQQ-LOSJGSFVSA-N 1 0 397.559 4.435 50 0 GIAARO CC(C)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000020514656 207200408 /nfs/dbraw/zinc/20/04/08/207200408.db2.gz GCGLEWATFRVLAL-QGZVFWFLSA-N 1 0 382.470 4.473 50 0 GIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)s1 ZINC000020542673 207203406 /nfs/dbraw/zinc/20/34/06/207203406.db2.gz YGPPJRLPACOFLO-HXUWFJFHSA-N 1 0 389.996 4.497 50 0 GIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574498 207204564 /nfs/dbraw/zinc/20/45/64/207204564.db2.gz OXFIEPRVTUOTDN-GASCZTMLSA-N 1 0 383.471 4.489 50 0 GIAARO Cc1oc(-c2ccoc2)nc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000020778775 207214858 /nfs/dbraw/zinc/21/48/58/207214858.db2.gz XMHSVHPSOHODAH-UHFFFAOYSA-N 1 0 381.520 4.185 50 0 GIAARO Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)c(C)c1 ZINC000020889543 207218416 /nfs/dbraw/zinc/21/84/16/207218416.db2.gz GFNSFCRVKNSCTN-UHFFFAOYSA-N 1 0 394.563 4.254 50 0 GIAARO CC(C)(C)C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020905676 207218974 /nfs/dbraw/zinc/21/89/74/207218974.db2.gz NPGDDFPJXYSQQW-LJQANCHMSA-N 1 0 383.502 4.338 50 0 GIAARO Clc1ccc2c(c1)C=C(C[NH2+][C@@H]1CCCc3c1cnn3-c1ccccn1)CO2 ZINC000020915916 207220342 /nfs/dbraw/zinc/22/03/42/207220342.db2.gz JMOWOAZRDSKLMD-LJQANCHMSA-N 1 0 392.890 4.364 50 0 GIAARO Cc1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1C ZINC000020927145 207220876 /nfs/dbraw/zinc/22/08/76/207220876.db2.gz DZWFVXJIQHPCOD-UHFFFAOYSA-N 1 0 394.544 4.465 50 0 GIAARO CCc1nc(C)c(C[NH+]2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)[nH]1 ZINC000020997452 207222432 /nfs/dbraw/zinc/22/24/32/207222432.db2.gz JOSHXSCOZYPRGY-UHFFFAOYSA-N 1 0 395.469 4.117 50 0 GIAARO Cc1c(Cl)cccc1-n1ncc(C(=O)NCCC(C)C)c1C1CC[NH2+]CC1 ZINC000021018080 207225078 /nfs/dbraw/zinc/22/50/78/207225078.db2.gz DUUBCGLOVXJXCX-UHFFFAOYSA-N 1 0 388.943 4.077 50 0 GIAARO C[N@H+](CCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21)C1CCCCC1 ZINC000021714762 207235652 /nfs/dbraw/zinc/23/56/52/207235652.db2.gz RTXFMVZZLPYOPV-UHFFFAOYSA-N 1 0 387.434 4.239 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)c1OCC ZINC000022076024 207245896 /nfs/dbraw/zinc/24/58/96/207245896.db2.gz FCMGNSJCMFHCMU-QGZVFWFLSA-N 1 0 394.309 4.070 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000022075345 207246561 /nfs/dbraw/zinc/24/65/61/207246561.db2.gz PTNYZHKFVXISIL-JOCHJYFZSA-N 1 0 377.484 4.488 50 0 GIAARO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000022074918 207246867 /nfs/dbraw/zinc/24/68/67/207246867.db2.gz WNZHSNGHUDNIBC-UHFFFAOYSA-N 1 0 383.319 4.232 50 0 GIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000022919561 207264466 /nfs/dbraw/zinc/26/44/66/207264466.db2.gz NETWOUXYBCPMCX-HXUWFJFHSA-N 1 0 380.561 4.073 50 0 GIAARO CCc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2F)[NH+](C)C)cc1 ZINC000022684275 207259614 /nfs/dbraw/zinc/25/96/14/207259614.db2.gz PCQXTWYZGKWQFC-GOSISDBHSA-N 1 0 393.300 4.183 50 0 GIAARO C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000022793298 207261189 /nfs/dbraw/zinc/26/11/89/207261189.db2.gz GUNZLIHKKYTFCQ-SCLBCKFNSA-N 1 0 380.319 4.213 50 0 GIAARO Cc1ccc(Oc2ccc(OCC(=O)NC3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000023079760 207268260 /nfs/dbraw/zinc/26/82/60/207268260.db2.gz BWTNRHANFVAXFW-UHFFFAOYSA-N 1 0 382.504 4.155 50 0 GIAARO CC(=O)Nc1ccc(CN(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000023358607 207276246 /nfs/dbraw/zinc/27/62/46/207276246.db2.gz BUPXWBVCKHKOSL-DEOSSOPVSA-N 1 0 379.548 4.174 50 0 GIAARO OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C1CCCCC1 ZINC000022932667 207265180 /nfs/dbraw/zinc/26/51/80/207265180.db2.gz WBSXUVARARSOHE-FQEVSTJZSA-N 1 0 385.577 4.011 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000023740549 207282233 /nfs/dbraw/zinc/28/22/33/207282233.db2.gz MHNGNLKNWXQAPS-IBGZPJMESA-N 1 0 392.528 4.102 50 0 GIAARO CCCO[C@H]1CCC[N@H+](Cc2ccc(-c3nc(C(F)(F)F)cc(=O)[nH]3)cc2)C1 ZINC000023431081 207278220 /nfs/dbraw/zinc/27/82/20/207278220.db2.gz QTYQSGDCJBPTTO-INIZCTEOSA-N 1 0 395.425 4.259 50 0 GIAARO CC(C)c1noc(CC[NH2+]C2CCN(c3ccc(-c4cscn4)cc3)CC2)n1 ZINC000023580708 207279441 /nfs/dbraw/zinc/27/94/41/207279441.db2.gz AQGVUDUTNMXSHN-UHFFFAOYSA-N 1 0 397.548 4.118 50 0 GIAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000026311089 207311418 /nfs/dbraw/zinc/31/14/18/207311418.db2.gz ZZPZSKRKLLWBOB-HNNXBMFYSA-N 1 0 380.941 4.221 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccsc1 ZINC000025331196 207303093 /nfs/dbraw/zinc/30/30/93/207303093.db2.gz DHRXXUZYVYNYEF-LJQANCHMSA-N 1 0 386.492 4.499 50 0 GIAARO CC(C)(CNC(=O)Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025461291 207304101 /nfs/dbraw/zinc/30/41/01/207304101.db2.gz XQSYFSNZRWPTLN-UHFFFAOYSA-N 1 0 390.449 4.201 50 0 GIAARO Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2ccnc2)cc1 ZINC000026309207 207312398 /nfs/dbraw/zinc/31/23/98/207312398.db2.gz VAZGSHOHGTXTKP-UHFFFAOYSA-N 1 0 377.879 4.179 50 0 GIAARO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000027793487 207330111 /nfs/dbraw/zinc/33/01/11/207330111.db2.gz OUGZNIRRPPIZFH-QUCCMNQESA-N 1 0 384.520 4.432 50 0 GIAARO C[C@H](NC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(F)cc1 ZINC000027345283 207324294 /nfs/dbraw/zinc/32/42/94/207324294.db2.gz MIIWFSKJRLTULS-OXJNMPFZSA-N 1 0 397.494 4.174 50 0 GIAARO Cc1cc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc(C)c1Cl ZINC000027582099 207326513 /nfs/dbraw/zinc/32/65/13/207326513.db2.gz QPKRLABKIUFVHQ-QGZVFWFLSA-N 1 0 392.952 4.350 50 0 GIAARO CCc1ccc([C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000027597556 207328849 /nfs/dbraw/zinc/32/88/49/207328849.db2.gz BOKIFRIKFONPOA-IBGZPJMESA-N 1 0 378.438 4.229 50 0 GIAARO CCc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662495 207328908 /nfs/dbraw/zinc/32/89/08/207328908.db2.gz HQRCBYJNJFRCAS-FQEVSTJZSA-N 1 0 386.561 4.423 50 0 GIAARO COc1cccc(/C=C/C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000040090753 207338193 /nfs/dbraw/zinc/33/81/93/207338193.db2.gz FXFDNAYHSCFSBW-ZJVMWOEPSA-N 1 0 384.907 4.315 50 0 GIAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+]2CCCC2)cc1 ZINC000028293151 207338671 /nfs/dbraw/zinc/33/86/71/207338671.db2.gz FHXBMRFWOIJPCL-QHCPKHFHSA-N 1 0 380.532 4.144 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(F)cc2)c2cccs2)CC1 ZINC000030988844 207380152 /nfs/dbraw/zinc/38/01/52/207380152.db2.gz TWEOKBPDGJXUBB-SFHVURJKSA-N 1 0 375.513 4.160 50 0 GIAARO CC[C@@H](CNC(=O)c1ccccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000032445815 207395073 /nfs/dbraw/zinc/39/50/73/207395073.db2.gz YSTLSPFVEOLIRZ-KRWDZBQOSA-N 1 0 387.321 4.016 50 0 GIAARO CCc1ccc2oc(=O)cc(C[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)c2c1 ZINC000033088000 207439149 /nfs/dbraw/zinc/43/91/49/207439149.db2.gz IUQHMCGJVLPRKN-SFHVURJKSA-N 1 0 376.500 4.375 50 0 GIAARO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](C)O)nc(=O)c23)c(C)c1 ZINC000036207957 207515594 /nfs/dbraw/zinc/51/55/94/207515594.db2.gz GBVVFBZIGFFQSP-INIZCTEOSA-N 1 0 399.560 4.107 50 0 GIAARO CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000036763377 207538798 /nfs/dbraw/zinc/53/87/98/207538798.db2.gz YFLHBZRJFZODPX-QHCPKHFHSA-N 1 0 391.515 4.431 50 0 GIAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000040104281 207576815 /nfs/dbraw/zinc/57/68/15/207576815.db2.gz QEGKJKLOVFCXDK-UHFFFAOYSA-N 1 0 381.398 4.181 50 0 GIAARO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000044932233 207648416 /nfs/dbraw/zinc/64/84/16/207648416.db2.gz AMXHCZWLOGSEKM-UHFFFAOYSA-N 1 0 384.495 4.141 50 0 GIAARO CCOc1cc(C[NH2+]CC(=O)N(C)C)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000058169383 207767653 /nfs/dbraw/zinc/76/76/53/207767653.db2.gz AFMGBORCASAUDP-UHFFFAOYSA-N 1 0 398.547 4.140 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000064657421 207805023 /nfs/dbraw/zinc/80/50/23/207805023.db2.gz OEQNIJPRSBEYGC-KRWDZBQOSA-N 1 0 381.545 4.360 50 0 GIAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1C[C@H]2CCC[C@@]2(CO)C1 ZINC000072407975 208015713 /nfs/dbraw/zinc/01/57/13/208015713.db2.gz IHOCUXBFLOKQET-APWZRJJASA-N 1 0 380.410 4.263 50 0 GIAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH+]3CCC(C(N)=O)CC3)cc2c1 ZINC000072410976 208018981 /nfs/dbraw/zinc/01/89/81/208018981.db2.gz DSARAYRASXMQMN-UHFFFAOYSA-N 1 0 377.463 4.047 50 0 GIAARO COc1ccc(OC)c(-c2nc3c(C)cccc3cc2C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000072425909 208022613 /nfs/dbraw/zinc/02/26/13/208022613.db2.gz VZQRREMDUWJUNK-LJQANCHMSA-N 1 0 392.499 4.184 50 0 GIAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3CCO)c(-c3ccc(F)cc3)n2)cc1 ZINC000072478737 208032893 /nfs/dbraw/zinc/03/28/93/208032893.db2.gz QOGBUTCXFGECJM-OAQYLSRUSA-N 1 0 379.479 4.334 50 0 GIAARO Cc1ccccc1SCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000078624185 208064007 /nfs/dbraw/zinc/06/40/07/208064007.db2.gz UKHIRTSYILEPII-UHFFFAOYSA-N 1 0 383.561 4.256 50 0 GIAARO COc1ccc([C@H](CNc2cc(C)[nH+]c3ccccc23)N2CCOCC2)cc1 ZINC000089583116 208107949 /nfs/dbraw/zinc/10/79/49/208107949.db2.gz LYGSOJWPYOHEEL-QHCPKHFHSA-N 1 0 377.488 4.037 50 0 GIAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000089910237 208110706 /nfs/dbraw/zinc/11/07/06/208110706.db2.gz VCMFAZNQFJRPBR-INIZCTEOSA-N 1 0 391.475 4.084 50 0 GIAARO CC(=O)c1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)cc1 ZINC000091270176 208112968 /nfs/dbraw/zinc/11/29/68/208112968.db2.gz HPVYJCUVPPDBRB-UHFFFAOYSA-N 1 0 390.527 4.294 50 0 GIAARO O=C(c1cc(Cl)ccc1F)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095374559 208168524 /nfs/dbraw/zinc/16/85/24/208168524.db2.gz YTNBMWILYSTAMA-CEWLAPEOSA-N 1 0 384.882 4.182 50 0 GIAARO CCN1CC2(CC[NH+](Cc3cccc(C)n3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091931810 208140824 /nfs/dbraw/zinc/14/08/24/208140824.db2.gz KZFCGQVNNFIOJR-QFIPXVFZSA-N 1 0 377.532 4.008 50 0 GIAARO CCCC[C@H](O)C[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101097 208155928 /nfs/dbraw/zinc/15/59/28/208155928.db2.gz HABYVBAVUIMNTN-QHCPKHFHSA-N 1 0 385.548 4.044 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cc(C)no2)CC1 ZINC000095508416 208209532 /nfs/dbraw/zinc/20/95/32/208209532.db2.gz WNURXDXKZHYKIO-UHFFFAOYSA-N 1 0 399.535 4.002 50 0 GIAARO Cc1ccc(C(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)cn1 ZINC000095461574 208187560 /nfs/dbraw/zinc/18/75/60/208187560.db2.gz REKXJZUENBVLTR-QFIPXVFZSA-N 1 0 381.520 4.422 50 0 GIAARO COc1cc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)cc(OC)c1OC(F)F ZINC000095463789 208188322 /nfs/dbraw/zinc/18/83/22/208188322.db2.gz VNAKQHFGCLTCFN-KZULUSFZSA-N 1 0 399.409 4.310 50 0 GIAARO Cc1ccc(C(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)cn1 ZINC000095461575 208189071 /nfs/dbraw/zinc/18/90/71/208189071.db2.gz REKXJZUENBVLTR-JOCHJYFZSA-N 1 0 381.520 4.422 50 0 GIAARO CC(C)CN1CCc2nc[nH]c2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000095517546 208216785 /nfs/dbraw/zinc/21/67/85/208216785.db2.gz ZCNRFSVGIGALJZ-ONEGZZNKSA-N 1 0 382.527 4.067 50 0 GIAARO Cc1cccc(-c2nc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccco4)C3)cs2)c1 ZINC000095519509 208216858 /nfs/dbraw/zinc/21/68/58/208216858.db2.gz CMBWJHRRRGFVFK-GOSISDBHSA-N 1 0 395.528 4.240 50 0 GIAARO CC(=O)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cs1 ZINC000095528042 208226861 /nfs/dbraw/zinc/22/68/61/208226861.db2.gz ZNFQJCPJQOHPSO-PZJWPPBQSA-N 1 0 396.556 4.120 50 0 GIAARO Cc1ccc([C@@H]2CN(Cc3cnc(-c4cccs4)nc3)C[C@H]2[NH+](C)C)cc1 ZINC000095527441 208227302 /nfs/dbraw/zinc/22/73/02/208227302.db2.gz UDYCHAXBSWIJRH-VQTJNVASSA-N 1 0 378.545 4.043 50 0 GIAARO Cc1ccccc1C(C)(C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000095959167 208244952 /nfs/dbraw/zinc/24/49/52/208244952.db2.gz CFZWIRIKVNQTAX-HXUWFJFHSA-N 1 0 394.559 4.289 50 0 GIAARO CC1CC[NH+](C[C@@H]2CCCN(Cc3noc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000095964873 208245968 /nfs/dbraw/zinc/24/59/68/208245968.db2.gz GJAXVKUNLXYGDK-KRWDZBQOSA-N 1 0 388.943 4.334 50 0 GIAARO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(OC)cc2)cc1OC ZINC000095976041 208248216 /nfs/dbraw/zinc/24/82/16/208248216.db2.gz JBVAQTCJCPYNBM-VBKZILBWSA-N 1 0 393.911 4.358 50 0 GIAARO CCCOc1c(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2ccc(OC)cc2)cc1OC ZINC000095976042 208248470 /nfs/dbraw/zinc/24/84/70/208248470.db2.gz JBVAQTCJCPYNBM-JLTOFOAXSA-N 1 0 393.911 4.358 50 0 GIAARO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(=O)Nc2cccc(Br)c2)cc1 ZINC000095995897 208250116 /nfs/dbraw/zinc/25/01/16/208250116.db2.gz SFMWANULNSKCGM-KGLIPLIRSA-N 1 0 391.309 4.178 50 0 GIAARO CC1(C(=O)NCCc2cc3ccccc3[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000096012459 208253012 /nfs/dbraw/zinc/25/30/12/208253012.db2.gz DTRQQUXIYFTRPN-UHFFFAOYSA-N 1 0 375.516 4.129 50 0 GIAARO c1ccc(C[NH+]2CCC(c3nc([C@H]4CCOC4)no3)(c3ccccc3)CC2)cc1 ZINC000096163545 208282069 /nfs/dbraw/zinc/28/20/69/208282069.db2.gz BBRHTJUDZXKCSU-FQEVSTJZSA-N 1 0 389.499 4.156 50 0 GIAARO O=C(/C=C\c1ccc(Br)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000096912739 208328306 /nfs/dbraw/zinc/32/83/06/208328306.db2.gz MHDYRWALAZJCGA-XFXZXTDPSA-N 1 0 399.332 4.375 50 0 GIAARO CN(C)c1ccc(-c2cnc(-c3ccc(-c4nc5c([nH]4)C[NH2+]CC5)cc3)o2)cc1 ZINC000097805678 208364419 /nfs/dbraw/zinc/36/44/19/208364419.db2.gz LEXKWFYVHNWTPF-UHFFFAOYSA-N 1 0 385.471 4.110 50 0 GIAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](Cc2ccc(C)s2)C(C)C)c1 ZINC000060042095 209001216 /nfs/dbraw/zinc/00/12/16/209001216.db2.gz UOWIQKBHSXGBSN-INIZCTEOSA-N 1 0 390.549 4.162 50 0 GIAARO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000229355253 209002888 /nfs/dbraw/zinc/00/28/88/209002888.db2.gz OGRKSUSQAHHCPV-RBUKOAKNSA-N 1 0 382.552 4.198 50 0 GIAARO COc1ccccc1Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299799900 209091774 /nfs/dbraw/zinc/09/17/74/209091774.db2.gz VPXPKJMEUURPQH-ZCNNSNEGSA-N 1 0 375.472 4.362 50 0 GIAARO Fc1ccc(CC[NH2+]Cc2nn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000247514509 209026359 /nfs/dbraw/zinc/02/63/59/209026359.db2.gz JLLNVBPXHTXARU-UHFFFAOYSA-N 1 0 386.474 4.465 50 0 GIAARO CCCCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000247972750 209028479 /nfs/dbraw/zinc/02/84/79/209028479.db2.gz DSHXVRBGTFMSBU-IBGZPJMESA-N 1 0 384.568 4.478 50 0 GIAARO Cc1ccc(Cn2nc(C[NH2+]CCCOC(C)C)c(-c3ccccc3)n2)cc1 ZINC000248081970 209029776 /nfs/dbraw/zinc/02/97/76/209029776.db2.gz IZTUIYHXBXMNDM-UHFFFAOYSA-N 1 0 378.520 4.207 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3C)C2)nc2ccccc21 ZINC000247994868 209030111 /nfs/dbraw/zinc/03/01/11/209030111.db2.gz PACPJNQOXUOZSF-GOSISDBHSA-N 1 0 376.504 4.215 50 0 GIAARO Cc1ccccc1Cn1nc(C[NH2+]C[C@H](O)c2ccccc2)c(-c2ccccc2)n1 ZINC000248156917 209030600 /nfs/dbraw/zinc/03/06/00/209030600.db2.gz MFIACVHJRXGHMY-DEOSSOPVSA-N 1 0 398.510 4.125 50 0 GIAARO Cc1ccc(Cn2nc(C[NH2+]C[C@@H](O)c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000248118220 209030712 /nfs/dbraw/zinc/03/07/12/209030712.db2.gz UEIBIUGXXIPNQV-XMMPIXPASA-N 1 0 398.510 4.125 50 0 GIAARO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3CC)C2)cc1 ZINC000249695576 209031864 /nfs/dbraw/zinc/03/18/64/209031864.db2.gz RDIQTUSMGNWEMD-LJQANCHMSA-N 1 0 390.531 4.469 50 0 GIAARO CCOCCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248341713 209031959 /nfs/dbraw/zinc/03/19/59/209031959.db2.gz ZLASAIWHOLOOLC-UHFFFAOYSA-N 1 0 384.911 4.163 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3F)o2)[NH+](C)C)cc1 ZINC000007990329 221022679 /nfs/dbraw/zinc/02/26/79/221022679.db2.gz XPIVWAMTXIQCBV-IBGZPJMESA-N 1 0 382.435 4.127 50 0 GIAARO CSc1nc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)cs1 ZINC000012755303 221225774 /nfs/dbraw/zinc/22/57/74/221225774.db2.gz CKWQRADPKILFFY-FQEVSTJZSA-N 1 0 393.622 4.373 50 0 GIAARO COC(=O)c1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 ZINC000015063213 221327924 /nfs/dbraw/zinc/32/79/24/221327924.db2.gz AAYOAKXYQMHMJF-CYBMUJFWSA-N 1 0 385.414 4.096 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)SCc3ccccc3)c(C)c2)CC1 ZINC000040141065 132399776 /nfs/dbraw/zinc/39/97/76/132399776.db2.gz UVHMXUISBAXKMJ-IBGZPJMESA-N 1 0 397.588 4.397 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2)CC1 ZINC000004677220 136196645 /nfs/dbraw/zinc/19/66/45/136196645.db2.gz PIPWWXXVJNGHAK-UHFFFAOYSA-N 1 0 395.547 4.278 50 0 GIAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000299757032 209083170 /nfs/dbraw/zinc/08/31/70/209083170.db2.gz HIERYJVEAZSUSW-UHFFFAOYSA-N 1 0 399.579 4.030 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccc(-c2cncnc2)cc1 ZINC000426677806 534627876 /nfs/dbraw/zinc/62/78/76/534627876.db2.gz CEUDNVCKFDTKGH-HSZRJFAPSA-N 1 0 386.499 4.101 50 0 GIAARO CC[NH+](CC)CCOC(=O)[C@@H](Cc1ccc2ccccc2c1)C[C@@H]1CCCO1 ZINC000033985949 570228785 /nfs/dbraw/zinc/22/87/85/570228785.db2.gz IEBDTIUHMNLDTC-GOTSBHOMSA-N 1 0 383.532 4.453 50 0 in-vitro GIAARO O=C1CCCN1c1ccc(C[NH2+]Cc2ccc(Br)cc2F)cc1 ZINC000012853989 570267273 /nfs/dbraw/zinc/26/72/73/570267273.db2.gz PZHVNZQMEITRFH-UHFFFAOYSA-N 1 0 377.257 4.005 50 0 GIAARO Cc1cccc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1C ZINC000012869614 570270107 /nfs/dbraw/zinc/27/01/07/570270107.db2.gz ZWLWTZDQEQQLGU-UHFFFAOYSA-N 1 0 380.488 4.415 50 0 GIAARO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000000644768 570279963 /nfs/dbraw/zinc/27/99/63/570279963.db2.gz DNGIRVMIESHEGA-LJQANCHMSA-N 1 0 375.492 4.011 50 0 GIAARO COCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876529 570288093 /nfs/dbraw/zinc/28/80/93/570288093.db2.gz LOGVKGWEBGSKHR-UHFFFAOYSA-N 1 0 384.701 4.418 50 0 GIAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCC(C)C)cc3)CC2)cc1C ZINC000034668101 570292588 /nfs/dbraw/zinc/29/25/88/570292588.db2.gz JPERZDLZELKEIL-UHFFFAOYSA-N 1 0 379.548 4.011 50 0 GIAARO C[C@H](NCc1ccccc1C[NH+]1CCCC1)c1nnc(-c2ccc(F)cc2)o1 ZINC000012932572 570303275 /nfs/dbraw/zinc/30/32/75/570303275.db2.gz WRJHMUUWCFGJJL-INIZCTEOSA-N 1 0 380.467 4.322 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccc(CSC)cc2)[NH+]2CCCC2)cc1 ZINC000021911894 570317312 /nfs/dbraw/zinc/31/73/12/570317312.db2.gz VGBZIUFMGGZDAL-NRFANRHFSA-N 1 0 384.545 4.125 50 0 GIAARO Cc1cc([C@H]2C[C@H](C(=O)NC3CC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716647 570319439 /nfs/dbraw/zinc/31/94/39/570319439.db2.gz IEWAIOTWEUUXAC-OALUTQOASA-N 1 0 384.470 4.158 50 0 GIAARO Cc1cc([C@@H]2C[C@@H](C(=O)NC3CC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716648 570319464 /nfs/dbraw/zinc/31/94/64/570319464.db2.gz IEWAIOTWEUUXAC-RTBURBONSA-N 1 0 384.470 4.158 50 0 GIAARO COc1cccc(C[N@@H+]2C[C@H](C(=O)NCC3CC3)CC[C@@H]2c2ccccc2)c1 ZINC000034733803 570325876 /nfs/dbraw/zinc/32/58/76/570325876.db2.gz XDXWLSYWIJRLAO-FYYLOGMGSA-N 1 0 378.516 4.175 50 0 GIAARO COc1cc(C[NH2+]CCOc2ccccn2)ccc1OCc1ccc(Cl)cc1 ZINC000113396131 570330982 /nfs/dbraw/zinc/33/09/82/570330982.db2.gz UIFIOLNLIBMQCX-UHFFFAOYSA-N 1 0 398.890 4.491 50 0 GIAARO CCOc1cc(C[NH2+]CCOc2ccccn2)ccc1OCc1ccccc1 ZINC000113395901 570331010 /nfs/dbraw/zinc/33/10/10/570331010.db2.gz VIEQDYTZBJNDRU-UHFFFAOYSA-N 1 0 378.472 4.228 50 0 GIAARO COc1cccc([C@H](C[NH2+]C2CCN(C)CC2)c2c[nH]c3ccccc32)c1OC ZINC000023881020 570333710 /nfs/dbraw/zinc/33/37/10/570333710.db2.gz QDZQHAWGXSNUFD-NRFANRHFSA-N 1 0 393.531 4.001 50 0 GIAARO Cc1nc(-c2cccc(N3CCC([NH2+]CCc4nccs4)CC3)c2)cs1 ZINC000023191712 570349206 /nfs/dbraw/zinc/34/92/06/570349206.db2.gz HDQFXXACLWPAEC-UHFFFAOYSA-N 1 0 384.574 4.376 50 0 GIAARO O[C@H](C[NH2+]C[C@@H]1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004192507 570362309 /nfs/dbraw/zinc/36/23/09/570362309.db2.gz VWROENVTHCVTHF-CVEARBPZSA-N 1 0 393.314 4.231 50 0 aggregator GIAARO Cc1cn(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000004307398 570366849 /nfs/dbraw/zinc/36/68/49/570366849.db2.gz YPGZXYXXGBWRRZ-UHFFFAOYSA-N 1 0 375.516 4.121 50 0 GIAARO Cc1c(Cl)ccc2c(C(=O)NC3CC[NH+](C)CC3)cc(-c3cccnc3)nc12 ZINC000004488331 570378366 /nfs/dbraw/zinc/37/83/66/570378366.db2.gz YETORFGBLDHCPO-UHFFFAOYSA-N 1 0 394.906 4.083 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(C)ccc3C)C[C@@H]21 ZINC000004957084 570382192 /nfs/dbraw/zinc/38/21/92/570382192.db2.gz YEWIKRXSSXTQFP-NRFANRHFSA-N 1 0 391.515 4.277 50 0 GIAARO O=C(Nc1ccccc1C(F)(F)F)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090609025 570384702 /nfs/dbraw/zinc/38/47/02/570384702.db2.gz KTRUCMDWVBWEDM-CQSZACIVSA-N 1 0 387.471 4.141 50 0 GIAARO CCc1ccc([C@H](CNC(=O)/C=C/c2c(C)nc3sc(C)cn23)[NH+](C)C)cc1 ZINC000032734090 570393291 /nfs/dbraw/zinc/39/32/91/570393291.db2.gz PZDFPVAOOBDYHN-SGWGQVFISA-N 1 0 396.560 4.007 50 0 GIAARO NC(=[NH2+])SCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000004701018 570394998 /nfs/dbraw/zinc/39/49/98/570394998.db2.gz HWMASQCYVGFFIE-UHFFFAOYSA-N 1 0 387.306 4.428 50 0 GIAARO C[NH+](C)[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000004700986 570395031 /nfs/dbraw/zinc/39/50/31/570395031.db2.gz IRVQBVBJMQSBCO-WOJBJXKFSA-N 1 0 386.904 4.129 50 0 GIAARO CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000005044131 570405274 /nfs/dbraw/zinc/40/52/74/570405274.db2.gz VEAGHIUTBUYDPV-WMLDXEAASA-N 1 0 389.927 4.430 50 0 GIAARO CCOc1cc(C[NH2+][C@H](CC)CO)c(Br)cc1OC1CCCC1 ZINC000004858083 570413064 /nfs/dbraw/zinc/41/30/64/570413064.db2.gz HOZJBPYXIRRXEK-CQSZACIVSA-N 1 0 386.330 4.030 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000005093145 570415345 /nfs/dbraw/zinc/41/53/45/570415345.db2.gz DKOOXMZRSVJDEJ-KRWDZBQOSA-N 1 0 383.517 4.112 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3cccs3)=NN12 ZINC000005093151 570415484 /nfs/dbraw/zinc/41/54/84/570415484.db2.gz DKOOXMZRSVJDEJ-QGZVFWFLSA-N 1 0 383.517 4.112 50 0 GIAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000004988507 570421764 /nfs/dbraw/zinc/42/17/64/570421764.db2.gz MNZMNUMSBCJTEI-FQEVSTJZSA-N 1 0 383.488 4.049 50 0 GIAARO Cc1cc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)on1 ZINC000069951091 570426913 /nfs/dbraw/zinc/42/69/13/570426913.db2.gz XAAWULBFBQPLBX-JOCHJYFZSA-N 1 0 381.520 4.280 50 0 GIAARO CC(C)Cc1ccc(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000032952012 570428427 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50 0 GIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3cccs3)nc21 ZINC000005256902 570527368 /nfs/dbraw/zinc/52/73/68/570527368.db2.gz FUUKKTXZKNKADK-UHFFFAOYSA-N 1 0 395.937 4.228 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008326282 570528043 /nfs/dbraw/zinc/52/80/43/570528043.db2.gz ADXNCEHJDBXEAX-INIZCTEOSA-N 1 0 384.303 4.442 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008337040 570528788 /nfs/dbraw/zinc/52/87/88/570528788.db2.gz CCGNRIHWAYNSSU-MRXNPFEDSA-N 1 0 382.273 4.028 50 0 GIAARO CCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000005266383 570531337 /nfs/dbraw/zinc/53/13/37/570531337.db2.gz ZIHWQXROLDBYND-QGZVFWFLSA-N 1 0 391.471 4.111 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022778434 570547563 /nfs/dbraw/zinc/54/75/63/570547563.db2.gz AGFNSSWXMFKWPJ-QHCPKHFHSA-N 1 0 393.575 4.011 50 0 GIAARO CCOc1ccc([C@@]2(O)[C@@H](C)[N@@H+]3CCCC=C3N2c2ccc(OC)cc2)cc1 ZINC000005336521 570556158 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CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC(F)(F)F ZINC000011661693 570576913 /nfs/dbraw/zinc/57/69/13/570576913.db2.gz SCMZPTTVUYTNDM-HNNXBMFYSA-N 1 0 376.850 4.005 50 0 GIAARO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]Cc1ccc(Oc3ncccn3)cc1)CCC2 ZINC000011666036 570578851 /nfs/dbraw/zinc/57/88/51/570578851.db2.gz PUOKKRYRSPNCAK-FQEVSTJZSA-N 1 0 398.470 4.017 50 0 GIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000011668150 570579577 /nfs/dbraw/zinc/57/95/77/570579577.db2.gz BFZIAJKJYQOZLB-UHFFFAOYSA-N 1 0 378.501 4.056 50 0 GIAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 ZINC000011753923 570581460 /nfs/dbraw/zinc/58/14/60/570581460.db2.gz KWPJSUZFJWHTMG-ZDUSSCGKSA-N 1 0 384.430 4.268 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc(=O)[nH]c4)C3)C2)cc1 ZINC000011816705 570584360 /nfs/dbraw/zinc/58/43/60/570584360.db2.gz LMRBMILYEDFKQK-DEOSSOPVSA-N 1 0 393.531 4.039 50 0 GIAARO CSCCNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011818165 570584855 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GIAARO Cc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc4ccccc43)C2)s1 ZINC000011957037 570595670 /nfs/dbraw/zinc/59/56/70/570595670.db2.gz ZPZFJMTUNHZWEK-KRWDZBQOSA-N 1 0 379.529 4.247 50 0 GIAARO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc4ccccc4c3)CC2)O1 ZINC000012039652 570600382 /nfs/dbraw/zinc/60/03/82/570600382.db2.gz XPEREOVGROVNOT-JOCHJYFZSA-N 1 0 380.532 4.126 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1Cn1cccn1 ZINC000012051066 570600859 /nfs/dbraw/zinc/60/08/59/570600859.db2.gz UOXLQZMSMJBDBF-JOCHJYFZSA-N 1 0 394.494 4.156 50 0 GIAARO CCOc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000040720230 570604911 /nfs/dbraw/zinc/60/49/11/570604911.db2.gz XNPJANXDIDRASG-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO CCOc1cc(CNCCC[NH+](C)C)ccc1OCc1c(F)cccc1Cl ZINC000040720250 570604959 /nfs/dbraw/zinc/60/49/59/570604959.db2.gz IRQOTKHMCHBACZ-UHFFFAOYSA-N 1 0 394.918 4.498 50 0 GIAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccccc1C ZINC000040720511 570605219 /nfs/dbraw/zinc/60/52/19/570605219.db2.gz WMAZCOITWINIQT-UHFFFAOYSA-N 1 0 376.928 4.277 50 0 GIAARO Cc1ccccc1COc1ccc(Br)cc1CNCCC[NH+](C)C ZINC000040720386 570605459 /nfs/dbraw/zinc/60/54/59/570605459.db2.gz ARZWUZINFKIXBN-UHFFFAOYSA-N 1 0 391.353 4.378 50 0 GIAARO C[NH2+]CCCNCc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040720614 570605489 /nfs/dbraw/zinc/60/54/89/570605489.db2.gz ODZMIGXKJLYIFR-UHFFFAOYSA-N 1 0 383.319 4.280 50 0 GIAARO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccccc1C ZINC000040741892 570611487 /nfs/dbraw/zinc/61/14/87/570611487.db2.gz KFUBASHWXHVHRF-UHFFFAOYSA-N 1 0 377.912 4.487 50 0 GIAARO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000006809541 570611959 /nfs/dbraw/zinc/61/19/59/570611959.db2.gz ALYDTJTXZZTPEP-HXUWFJFHSA-N 1 0 392.952 4.236 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340946 570625514 /nfs/dbraw/zinc/62/55/14/570625514.db2.gz LKTIORWLKROGKD-FQEVSTJZSA-N 1 0 387.886 4.499 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cc(C)ccc2C)C[C@H]1c1ccc(OC)cc1 ZINC000036345133 570627517 /nfs/dbraw/zinc/62/75/17/570627517.db2.gz XJQCNEHRGGOJOT-QHCPKHFHSA-N 1 0 393.531 4.332 50 0 GIAARO Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036345540 570628134 /nfs/dbraw/zinc/62/81/34/570628134.db2.gz XAXUMUVQXIQGQN-HSZRJFAPSA-N 1 0 375.516 4.405 50 0 GIAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012299939 570635355 /nfs/dbraw/zinc/63/53/55/570635355.db2.gz FIIIVVFQSZVVSU-CYBMUJFWSA-N 1 0 378.856 4.033 50 0 GIAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1 ZINC000012301851 570636535 /nfs/dbraw/zinc/63/65/35/570636535.db2.gz SLYASSPXDKGDJI-QFIPXVFZSA-N 1 0 392.547 4.416 50 0 GIAARO CN(C)c1ncc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)s1 ZINC000012304259 570638167 /nfs/dbraw/zinc/63/81/67/570638167.db2.gz ZSYABBQRFQAEAL-OAQYLSRUSA-N 1 0 376.614 4.077 50 0 GIAARO COC[C@H](C)[NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000012314025 570640133 /nfs/dbraw/zinc/64/01/33/570640133.db2.gz ULYVUEQOZMAEJF-HNNXBMFYSA-N 1 0 385.895 4.326 50 0 GIAARO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000012316509 570641319 /nfs/dbraw/zinc/64/13/19/570641319.db2.gz QEMZJKYKZALZIC-KRWDZBQOSA-N 1 0 393.462 4.319 50 0 GIAARO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc2O1 ZINC000044918437 570643383 /nfs/dbraw/zinc/64/33/83/570643383.db2.gz CFRHQJZJJOMPRM-NRFANRHFSA-N 1 0 396.506 4.456 50 0 GIAARO CCn1c(C[NH3+])nnc1Sc1ncnc2scc(-c3ccc(C)c(C)c3)c21 ZINC000072312234 570647522 /nfs/dbraw/zinc/64/75/22/570647522.db2.gz FKFLWCRUVPBPEB-UHFFFAOYSA-N 1 0 396.545 4.196 50 0 GIAARO CC(C)=CC[NH+]1CCC(Oc2cccc(C(=O)NCCc3ccccc3)c2)CC1 ZINC000012385860 570650882 /nfs/dbraw/zinc/65/08/82/570650882.db2.gz GDRKQZBCQPPYNS-UHFFFAOYSA-N 1 0 392.543 4.469 50 0 GIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000006870777 570664194 /nfs/dbraw/zinc/66/41/94/570664194.db2.gz SDEDZPKGPMPZOG-DHIUTWEWSA-N 1 0 396.531 4.078 50 0 GIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000012440966 570664475 /nfs/dbraw/zinc/66/44/75/570664475.db2.gz HOCRINVXSVJPOX-QHCPKHFHSA-N 1 0 395.934 4.343 50 0 GIAARO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]n1 ZINC000012444731 570665608 /nfs/dbraw/zinc/66/56/08/570665608.db2.gz YOXKTMNEUASKMX-IBGZPJMESA-N 1 0 388.515 4.027 50 0 GIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)cc1F ZINC000012454526 570668752 /nfs/dbraw/zinc/66/87/52/570668752.db2.gz LZLKWANURAMYFG-IBGZPJMESA-N 1 0 393.462 4.115 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000012507412 570675391 /nfs/dbraw/zinc/67/53/91/570675391.db2.gz NAVODTIWKOIFKW-UHFFFAOYSA-N 1 0 397.515 4.310 50 0 GIAARO Cc1c(C[NH2+][C@H](CC(C)(C)C)c2cccnc2)c2ccccc2n1CC(N)=O ZINC000055060509 570681166 /nfs/dbraw/zinc/68/11/66/570681166.db2.gz ZOLHCKDNXYJQQO-HXUWFJFHSA-N 1 0 378.520 4.097 50 0 GIAARO CCn1cnnc1CC[NH2+]Cc1c(C)n(Cc2ccccc2F)c2ccccc21 ZINC000055088342 570681987 /nfs/dbraw/zinc/68/19/87/570681987.db2.gz GQYCIDBXEHSOPC-UHFFFAOYSA-N 1 0 391.494 4.081 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000012576806 570682899 /nfs/dbraw/zinc/68/28/99/570682899.db2.gz PFPAJLTZWAGGOU-LJQANCHMSA-N 1 0 395.478 4.034 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000012576811 570682967 /nfs/dbraw/zinc/68/29/67/570682967.db2.gz PFPAJLTZWAGGOU-IBGZPJMESA-N 1 0 395.478 4.034 50 0 GIAARO C[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1ccc2nsnc2c1 ZINC000055284516 570690291 /nfs/dbraw/zinc/69/02/91/570690291.db2.gz KKRAREQOSJFTDD-UHFFFAOYSA-N 1 0 375.457 4.460 50 0 GIAARO CCOc1ccccc1C[N@H+](CC)Cc1cc(=O)n2c3c(cccc13)CCC2 ZINC000055326344 570691406 /nfs/dbraw/zinc/69/14/06/570691406.db2.gz ORIMHLVDMMQNHG-UHFFFAOYSA-N 1 0 376.500 4.369 50 0 GIAARO COc1ccccc1C(=O)N(CC[NH+](C)C)c1nc2ccc(Cl)cc2s1 ZINC000004359194 570700096 /nfs/dbraw/zinc/70/00/96/570700096.db2.gz VNLWYTJKGXXWRL-UHFFFAOYSA-N 1 0 389.908 4.167 50 0 GIAARO Cc1ccc(-c2nnc(-c3cccnc3NCC[NH+]3CCC(C)CC3)o2)cc1 ZINC000065117712 570700852 /nfs/dbraw/zinc/70/08/52/570700852.db2.gz RBXTUMTVXMURSD-UHFFFAOYSA-N 1 0 377.492 4.251 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccnc(Cl)c4)C3)C2)c1 ZINC000012715091 570704169 /nfs/dbraw/zinc/70/41/69/570704169.db2.gz RQGJNIZLXRHCNC-QFIPXVFZSA-N 1 0 383.923 4.172 50 0 GIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)cc1OC ZINC000012715647 570704356 /nfs/dbraw/zinc/70/43/56/570704356.db2.gz QBINGCHOTFZKRW-FQEVSTJZSA-N 1 0 390.483 4.347 50 0 GIAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012715601 570704411 /nfs/dbraw/zinc/70/44/11/570704411.db2.gz DQRXSRASUWFJRZ-FQEVSTJZSA-N 1 0 378.520 4.058 50 0 GIAARO CC(C)CCO[C@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000057994340 570706042 /nfs/dbraw/zinc/70/60/42/570706042.db2.gz QGJRJYOAIZIGPC-LJQANCHMSA-N 1 0 382.548 4.483 50 0 GIAARO COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000004359758 570706267 /nfs/dbraw/zinc/70/62/67/570706267.db2.gz QDWAVFXQOWAWAE-UHFFFAOYSA-N 1 0 387.480 4.043 50 0 GIAARO Cc1ccc(C)c(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1 ZINC000012744769 570707542 /nfs/dbraw/zinc/70/75/42/570707542.db2.gz OFVNXGGLRVCXPE-UHFFFAOYSA-N 1 0 380.536 4.466 50 0 GIAARO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc1CO ZINC000012744855 570708078 /nfs/dbraw/zinc/70/80/78/570708078.db2.gz JSMRXBUJVYNQKN-SFHVURJKSA-N 1 0 387.907 4.326 50 0 GIAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCC(=O)N1CCCC1 ZINC000058108756 570709310 /nfs/dbraw/zinc/70/93/10/570709310.db2.gz KFSRTDZEGUGHIC-UHFFFAOYSA-N 1 0 376.541 4.001 50 0 GIAARO COc1ccc2oc(C)c(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2c1 ZINC000058114991 570709720 /nfs/dbraw/zinc/70/97/20/570709720.db2.gz SKEINOBWAHOWGW-IBGZPJMESA-N 1 0 392.499 4.392 50 0 GIAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000012759345 570710714 /nfs/dbraw/zinc/71/07/14/570710714.db2.gz BCVTVXOESUQTEP-BJKOFHAPSA-N 1 0 394.534 4.342 50 0 GIAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000036446955 570712112 /nfs/dbraw/zinc/71/21/12/570712112.db2.gz OJVAHXPXYVPUPS-SJORKVTESA-N 1 0 375.472 4.090 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)Cc1ccccc1 ZINC000012798898 570716975 /nfs/dbraw/zinc/71/69/75/570716975.db2.gz MFRAURFGDVVZOH-HNNXBMFYSA-N 1 0 395.728 4.005 50 0 GIAARO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(OC(F)F)c1 ZINC000058379197 570730171 /nfs/dbraw/zinc/73/01/71/570730171.db2.gz NSTBVYACOZRMBC-OAHLLOKOSA-N 1 0 395.494 4.303 50 0 GIAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000058412927 570732313 /nfs/dbraw/zinc/73/23/13/570732313.db2.gz GZXKEFDHHZSARO-IBGZPJMESA-N 1 0 391.943 4.117 50 0 GIAARO Cc1cc(C)cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)c1 ZINC000007000464 570733085 /nfs/dbraw/zinc/73/30/85/570733085.db2.gz AYVXYDUFJLKJKG-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000000959115 570739200 /nfs/dbraw/zinc/73/92/00/570739200.db2.gz KAZXVJVOLHAONX-UHFFFAOYSA-N 1 0 397.828 4.363 50 0 GIAARO Cc1ccc(NC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)c(C)c1 ZINC000065256373 570755011 /nfs/dbraw/zinc/75/50/11/570755011.db2.gz QKISLQHEFJNFQI-JOCHJYFZSA-N 1 0 386.499 4.102 50 0 GIAARO CCc1noc(-c2cccnc2N2CCC[N@H+](Cc3cc(C)ccc3C)CC2)n1 ZINC000065257897 570758931 /nfs/dbraw/zinc/75/89/31/570758931.db2.gz JKCMTIUSWPCITN-UHFFFAOYSA-N 1 0 391.519 4.023 50 0 GIAARO CCCc1noc(-c2cccnc2N2CCC[N@H+](Cc3ccccc3C)CC2)n1 ZINC000065257926 570758959 /nfs/dbraw/zinc/75/89/59/570758959.db2.gz FQSKPLHVMQEJFL-UHFFFAOYSA-N 1 0 391.519 4.105 50 0 GIAARO CCc1noc(-c2cccnc2N2CCC[N@H+](Cc3cccc(Cl)c3)CC2)n1 ZINC000065257904 570758991 /nfs/dbraw/zinc/75/89/91/570758991.db2.gz HCMZZTWHLFSDNR-UHFFFAOYSA-N 1 0 397.910 4.060 50 0 GIAARO c1ccc(-c2noc(C[N@@H+]3CC[C@H](c4ccnc(-c5ccncc5)c4)C3)n2)cc1 ZINC000065375235 570762435 /nfs/dbraw/zinc/76/24/35/570762435.db2.gz LUVXJRHJVGLXCF-FQEVSTJZSA-N 1 0 383.455 4.183 50 0 GIAARO COc1ccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCC[NH2+]2)c(Cl)c1O ZINC000065425561 570767980 /nfs/dbraw/zinc/76/79/80/570767980.db2.gz LMIGNLVAWQLJFO-OAHLLOKOSA-N 1 0 383.879 4.337 50 0 GIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2cccnc2)c1 ZINC000065436161 570769247 /nfs/dbraw/zinc/76/92/47/570769247.db2.gz VNGRHPWCIMHPNF-FQEVSTJZSA-N 1 0 376.460 4.276 50 0 GIAARO COc1ccc(-c2cc3n(n2)CCC[N@H+](Cc2ccc(C)cc2)C3)cc1OC ZINC000065270396 570773394 /nfs/dbraw/zinc/77/33/94/570773394.db2.gz IJJBFGOGHAXOQR-UHFFFAOYSA-N 1 0 377.488 4.282 50 0 GIAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCN2CCCC2=O)cc1 ZINC000013727980 570782161 /nfs/dbraw/zinc/78/21/61/570782161.db2.gz GKEHTMKDGXBHEC-UHFFFAOYSA-N 1 0 386.923 4.330 50 0 GIAARO [NH3+]CCCCC(=O)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067725906 570788540 /nfs/dbraw/zinc/78/85/40/570788540.db2.gz AHNJLXWIFAXBLL-UHFFFAOYSA-N 1 0 396.512 4.124 50 0 GIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000007105727 570789376 /nfs/dbraw/zinc/78/93/76/570789376.db2.gz TXNZSQHMDROUHZ-UHFFFAOYSA-N 1 0 387.483 4.483 50 0 GIAARO Cc1nccn1CC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067774625 570790691 /nfs/dbraw/zinc/79/06/91/570790691.db2.gz MVJFXNDSUKLSEM-UHFFFAOYSA-N 1 0 383.499 4.307 50 0 GIAARO Cc1cc(C)c2[nH]c(=O)c(-c3c(-c4ccccc4)ncn3[C@H]3CC[NH2+]C3)cc2c1 ZINC000067974140 570799095 /nfs/dbraw/zinc/79/90/95/570799095.db2.gz QIXDXPJOJYNGAG-IBGZPJMESA-N 1 0 384.483 4.210 50 0 GIAARO Cc1ccc(-c2nc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cs2)o1 ZINC000032762954 570800727 /nfs/dbraw/zinc/80/07/27/570800727.db2.gz PWZULDBKCSPXRL-OAHLLOKOSA-N 1 0 387.530 4.340 50 0 GIAARO COc1ccc([C@@H](CNC(=O)C2(c3ccc(F)cc3)CCCC2)[NH+](C)C)cc1 ZINC000036750510 570807834 /nfs/dbraw/zinc/80/78/34/570807834.db2.gz CYIMSVIQLINBGH-OAQYLSRUSA-N 1 0 384.495 4.065 50 0 GIAARO COc1ccc(C[C@H](C(=O)OC2C[C@@H](C)[NH+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000004492146 570809684 /nfs/dbraw/zinc/80/96/84/570809684.db2.gz GNHPJGJHBNDLTI-PNCHPQGNSA-N 1 0 381.516 4.436 50 0 GIAARO CCCCN(CC)C(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000004682111 570830036 /nfs/dbraw/zinc/83/00/36/570830036.db2.gz YZMYCIABPFMMGX-UHFFFAOYSA-N 1 0 381.358 4.310 50 0 GIAARO CC(C)[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C1CC1 ZINC000032825570 570839665 /nfs/dbraw/zinc/83/96/65/570839665.db2.gz SFRMHSHOOOHJHY-SFHVURJKSA-N 1 0 393.531 4.064 50 0 GIAARO COc1ccc(C(=O)C2CC[NH+](Cn3cnc4cc(C)c(C)cc43)CC2)cc1 ZINC000012544193 570844529 /nfs/dbraw/zinc/84/45/29/570844529.db2.gz PGAKRZUPGFNEKG-UHFFFAOYSA-N 1 0 377.488 4.214 50 0 GIAARO COc1ccc(Cl)cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492169 570854272 /nfs/dbraw/zinc/85/42/72/570854272.db2.gz CAUGWNOYTUEKSO-UHFFFAOYSA-N 1 0 393.314 4.396 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)Sc2ccc(C)cc2)CC1 ZINC000012557905 570860148 /nfs/dbraw/zinc/86/01/48/570860148.db2.gz RVUXFDUHGOLDDO-GOSISDBHSA-N 1 0 383.561 4.256 50 0 GIAARO CC(C)[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000032869470 570864452 /nfs/dbraw/zinc/86/44/52/570864452.db2.gz XDSWKBFGYYXMMU-QHCPKHFHSA-N 1 0 394.515 4.181 50 0 GIAARO Cc1ccc(NC2CC[NH+](C)CC2)cc1NC(=O)CCCOc1ccccc1F ZINC000170607743 570864634 /nfs/dbraw/zinc/86/46/34/570864634.db2.gz CMKVFMDQSZHJII-UHFFFAOYSA-N 1 0 399.510 4.438 50 0 GIAARO CCCCc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](NC(=O)C(C)C)C[C@H]23)s1 ZINC000534577759 570901675 /nfs/dbraw/zinc/90/16/75/570901675.db2.gz YIJOGZBMJHJLCX-PIPMEXSNSA-N 1 0 392.609 4.375 50 0 GIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263584927 570907847 /nfs/dbraw/zinc/90/78/47/570907847.db2.gz CEYCACVGGCARNN-CEWLAPEOSA-N 1 0 385.577 4.252 50 0 GIAARO Cc1ccsc1[C@H](CNC(=O)N(C)Cc1csc(C(C)C)n1)[NH+](C)C ZINC000534643490 570909249 /nfs/dbraw/zinc/90/92/49/570909249.db2.gz CNRYTALGFVTDLA-HNNXBMFYSA-N 1 0 380.583 4.081 50 0 GIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000032908714 570909466 /nfs/dbraw/zinc/90/94/66/570909466.db2.gz IUSHWFYLCTXONR-XMMPIXPASA-N 1 0 386.495 4.035 50 0 GIAARO CN(Cc1nnc(-c2ccccc2)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000032911840 570915141 /nfs/dbraw/zinc/91/51/41/570915141.db2.gz JFFREGRYHRWTIA-FUHWJXTLSA-N 1 0 390.270 4.134 50 0 GIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)CCc3ccccc3)sc2cc1C ZINC000004586165 570919818 /nfs/dbraw/zinc/91/98/18/570919818.db2.gz MHOAOWCGNFBFMG-UHFFFAOYSA-N 1 0 381.545 4.441 50 0 GIAARO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2ccccc2c1 ZINC000015357099 570923537 /nfs/dbraw/zinc/92/35/37/570923537.db2.gz IQTLWFJKAYLYAP-UHFFFAOYSA-N 1 0 394.540 4.304 50 0 GIAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCCCC2)cc1 ZINC000017041144 570925121 /nfs/dbraw/zinc/92/51/21/570925121.db2.gz JUIXJUHSNRROLI-QHCPKHFHSA-N 1 0 392.499 4.387 50 0 GIAARO CC(C)c1noc(CCCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000046934651 570937345 /nfs/dbraw/zinc/93/73/45/570937345.db2.gz SBLNWQLBQNBQEW-KRWDZBQOSA-N 1 0 384.524 4.386 50 0 GIAARO COc1ccc([C@H]2[NH2+]CC[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000001293557 570955957 /nfs/dbraw/zinc/95/59/57/570955957.db2.gz ADRGNPCYQFCFPB-ILBGXUMGSA-N 1 0 384.479 4.214 50 0 GIAARO COCc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000252498178 570976598 /nfs/dbraw/zinc/97/65/98/570976598.db2.gz QWEGLLAHXMONNB-UHFFFAOYSA-N 1 0 387.911 4.273 50 0 GIAARO COCc1c2ccccc2sc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000083914596 570978677 /nfs/dbraw/zinc/97/86/77/570978677.db2.gz UQJVPXSUPTWBAJ-SFHVURJKSA-N 1 0 394.540 4.442 50 0 GIAARO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)c2)CC1 ZINC000252508249 570978778 /nfs/dbraw/zinc/97/87/78/570978778.db2.gz XIBPHKCZWXUDJI-KRWDZBQOSA-N 1 0 398.473 4.023 50 0 GIAARO CC[NH+]1CCN(c2cccc(NC(=O)N3CCc4cc(Cl)ccc4C3)c2)CC1 ZINC000252510897 570980415 /nfs/dbraw/zinc/98/04/15/570980415.db2.gz ZQYMFHLXCCQIIA-UHFFFAOYSA-N 1 0 398.938 4.072 50 0 GIAARO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000170670517 571007551 /nfs/dbraw/zinc/00/75/51/571007551.db2.gz WIMVNEJMIPILMQ-RHSMWYFYSA-N 1 0 380.301 4.275 50 0 GIAARO O=C(CCCc1nc2ccccc2s1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012758713 571007995 /nfs/dbraw/zinc/00/79/95/571007995.db2.gz CMGDECAFXCGSLA-SFHVURJKSA-N 1 0 379.529 4.010 50 0 GIAARO O=C(Cc1c(Cl)cccc1Cl)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000007686670 571016174 /nfs/dbraw/zinc/01/61/74/571016174.db2.gz GMONZUXIAPBIPZ-IBGZPJMESA-N 1 0 377.315 4.489 50 0 GIAARO CCOc1ccc2oc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c(C)c2c1 ZINC000007718889 571020086 /nfs/dbraw/zinc/02/00/86/571020086.db2.gz DZTRQLNEYNWWEG-UHFFFAOYSA-N 1 0 393.487 4.144 50 0 GIAARO CC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC)c2)C(C)C)cc1 ZINC000007719244 571020743 /nfs/dbraw/zinc/02/07/43/571020743.db2.gz PSLBHARZHXDQPS-GAJHUEQPSA-N 1 0 395.547 4.485 50 0 GIAARO O=C(CCc1cccc(F)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000084535993 571022623 /nfs/dbraw/zinc/02/26/23/571022623.db2.gz ZYUSPPWJCOHYAU-GMAHTHKFSA-N 1 0 380.507 4.271 50 0 GIAARO COc1ccc(NC(=O)NC[C@H]2C[N@H+](CC3CC3)CC23CCCCC3)c(C)c1 ZINC000409420700 823220701 /nfs/dbraw/zinc/22/07/01/823220701.db2.gz IYKAAWZOEGIYLJ-IBGZPJMESA-N 1 0 385.552 4.417 50 0 GIAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1cccc(OC)c1 ZINC000003662354 817494361 /nfs/dbraw/zinc/49/43/61/817494361.db2.gz LBHIQNSVQDDDGV-UHFFFAOYSA-N 1 0 375.538 4.219 50 0 GIAARO CCc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(N(C)C)cc3)sc2c1 ZINC000004272540 817514947 /nfs/dbraw/zinc/51/49/47/817514947.db2.gz DSNYTGZLCPHAPQ-UHFFFAOYSA-N 1 0 396.560 4.133 50 0 GIAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccncc1 ZINC000005066677 817549087 /nfs/dbraw/zinc/54/90/87/817549087.db2.gz ZVORIIBGNGRSPY-UHFFFAOYSA-N 1 0 390.483 4.454 50 0 GIAARO CC(C)Cc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000007875342 817946268 /nfs/dbraw/zinc/94/62/68/817946268.db2.gz HYEJCFTXTZWQEJ-VGOFRKELSA-N 1 0 395.547 4.298 50 0 GIAARO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccc(F)cc3)C3CCCCC3)nc12 ZINC000007989274 817976900 /nfs/dbraw/zinc/97/69/00/817976900.db2.gz FRCBLHOBQKJSRL-UHFFFAOYSA-N 1 0 379.479 4.477 50 0 GIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1Sc1ccccc1 ZINC000007989537 817977401 /nfs/dbraw/zinc/97/74/01/817977401.db2.gz YCVSONCWWOBJLX-IBGZPJMESA-N 1 0 389.524 4.237 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1csc(-c2ccccc2)n1 ZINC000008039908 817987936 /nfs/dbraw/zinc/98/79/36/817987936.db2.gz VYFGPQQQRCJCAJ-UHFFFAOYSA-N 1 0 377.513 4.336 50 0 GIAARO C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CCC[N@H+](C)CC4)c23)C1 ZINC000008178100 818012833 /nfs/dbraw/zinc/01/28/33/818012833.db2.gz LKIOUPXZXPXHSY-HNNXBMFYSA-N 1 0 393.560 4.020 50 0 GIAARO CC(=O)c1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cs1 ZINC000011814846 818123356 /nfs/dbraw/zinc/12/33/56/818123356.db2.gz KYEUQFYZFNLHSU-LJQANCHMSA-N 1 0 388.552 4.476 50 0 GIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3cccc4cnccc43)C2)c1 ZINC000011814095 818123452 /nfs/dbraw/zinc/12/34/52/818123452.db2.gz HOBRDOPYGVKRNP-DEOSSOPVSA-N 1 0 376.500 4.061 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011818644 818123942 /nfs/dbraw/zinc/12/39/42/818123942.db2.gz PKDTWZCVESEMIQ-UHFFFAOYSA-N 1 0 393.527 4.268 50 0 GIAARO CC1(C)C[C@H](C[NH+]2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)CCO1 ZINC000011873095 818126313 /nfs/dbraw/zinc/12/63/13/818126313.db2.gz NRNMAADUUKPQLV-OAQYLSRUSA-N 1 0 398.591 4.269 50 0 GIAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c(F)c1 ZINC000011936700 818129936 /nfs/dbraw/zinc/12/99/36/818129936.db2.gz DDNFSQPOOHTOLB-FQEVSTJZSA-N 1 0 379.414 4.083 50 0 GIAARO O=C(c1ccc(NCc2ccsc2)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000012072432 818139800 /nfs/dbraw/zinc/13/98/00/818139800.db2.gz GBPVNJMDEYVUNI-UHFFFAOYSA-N 1 0 398.576 4.236 50 0 GIAARO CC(C)C[NH2+][C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c32)C1 ZINC000012150111 818143832 /nfs/dbraw/zinc/14/38/32/818143832.db2.gz LZGLGBNDKXBEEQ-GOSISDBHSA-N 1 0 395.572 4.194 50 0 GIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(C[C@H]3C(=O)NCc3cccc(C)n3)CC2)o1 ZINC000012160693 818144318 /nfs/dbraw/zinc/14/43/18/818144318.db2.gz JQWWYMLULJMXLR-UWJYYQICSA-N 1 0 395.547 4.204 50 0 GIAARO Cc1nc(N2CCC[C@@H]([NH2+]CCc3ccccc3)CC2)nc2ccc(F)cc12 ZINC000012333352 818155255 /nfs/dbraw/zinc/15/52/55/818155255.db2.gz DIUSOKYYNSTHDS-HXUWFJFHSA-N 1 0 378.495 4.269 50 0 GIAARO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3)cc1 ZINC000012572422 818166840 /nfs/dbraw/zinc/16/68/40/818166840.db2.gz KEMRLEWHEHQIGG-DEOSSOPVSA-N 1 0 395.522 4.272 50 0 GIAARO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)CC1 ZINC000012592519 818169039 /nfs/dbraw/zinc/16/90/39/818169039.db2.gz HZZRIAFSFCAZIG-GOSISDBHSA-N 1 0 378.507 4.256 50 0 GIAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000012588807 818169180 /nfs/dbraw/zinc/16/91/80/818169180.db2.gz DPOJLPHKRVTSPI-SFHVURJKSA-N 1 0 375.900 4.184 50 0 GIAARO CC(=O)c1cccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012702289 818176811 /nfs/dbraw/zinc/17/68/11/818176811.db2.gz GWJJAIDELOLDEJ-JOCHJYFZSA-N 1 0 382.523 4.415 50 0 GIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](C/C=C/c3ccccc3OC)C2)c1 ZINC000013594389 818213895 /nfs/dbraw/zinc/21/38/95/818213895.db2.gz LCASWJPGEVBKPS-JHEAYKPVSA-N 1 0 381.516 4.034 50 0 GIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2ccccc2Cl)c1 ZINC000014962418 818279080 /nfs/dbraw/zinc/27/90/80/818279080.db2.gz UFZGKJKIVSUZIH-LJQANCHMSA-N 1 0 386.923 4.062 50 0 GIAARO COCC[N@H+](C)Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000014965493 818279690 /nfs/dbraw/zinc/27/96/90/818279690.db2.gz JGSYGFKDHBSVRX-UHFFFAOYSA-N 1 0 383.467 4.074 50 0 GIAARO O=C(NCCC1=CCCCC1)[C@H]1CC12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014982777 818280720 /nfs/dbraw/zinc/28/07/20/818280720.db2.gz RYUCDRMPRRMZRE-HSZRJFAPSA-N 1 0 378.560 4.263 50 0 GIAARO CN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000019300694 818590372 /nfs/dbraw/zinc/59/03/72/818590372.db2.gz PBUPOYZDDFRSLQ-NRFANRHFSA-N 1 0 390.531 4.405 50 0 GIAARO COCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)o1 ZINC000019773677 818605063 /nfs/dbraw/zinc/60/50/63/818605063.db2.gz QACBWRADOTZUPE-CQSZACIVSA-N 1 0 387.430 4.474 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934123 818756764 /nfs/dbraw/zinc/75/67/64/818756764.db2.gz SXOZNFRCUUGHGR-SFHVURJKSA-N 1 0 388.515 4.291 50 0 GIAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(-c2nc(-c3ccoc3)cc(=O)[nH]2)c1 ZINC000023399372 818933721 /nfs/dbraw/zinc/93/37/21/818933721.db2.gz MZSBZLPYTNTCRO-MRXNPFEDSA-N 1 0 386.455 4.285 50 0 GIAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCCC3)c1 ZINC000023429248 818939671 /nfs/dbraw/zinc/93/96/71/818939671.db2.gz JNNTYILSLMFTMS-QGZVFWFLSA-N 1 0 388.515 4.294 50 0 GIAARO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[NH+]3CCSCC3)cc2)[nH]1 ZINC000023478528 818944719 /nfs/dbraw/zinc/94/47/19/818944719.db2.gz MJXJUXPAGOZJNG-UHFFFAOYSA-N 1 0 397.931 4.306 50 0 GIAARO OCC1CC[NH+](Cc2ccccc2NCc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000177226189 823404010 /nfs/dbraw/zinc/40/40/10/823404010.db2.gz VRLIIXFLUNAYEO-UHFFFAOYSA-N 1 0 395.478 4.297 50 0 GIAARO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177715229 823516004 /nfs/dbraw/zinc/51/60/04/823516004.db2.gz RHQFXIHJKLEZHC-CYBMUJFWSA-N 1 0 387.446 4.208 50 0 GIAARO COc1cc(C[C@H](C)[NH2+][C@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)ccc1O ZINC000036269427 821070692 /nfs/dbraw/zinc/07/06/92/821070692.db2.gz DFJOKNIZMAGTLK-DJJJIMSYSA-N 1 0 395.459 4.389 50 0 GIAARO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1)c1ccccc1 ZINC000040050461 821127835 /nfs/dbraw/zinc/12/78/35/821127835.db2.gz STWPZUOBLOGZBR-MOPGFXCFSA-N 1 0 380.532 4.303 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000040103806 821137132 /nfs/dbraw/zinc/13/71/32/821137132.db2.gz GOFZUIAHBVLEPO-KRWDZBQOSA-N 1 0 392.503 4.376 50 0 GIAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCC(=O)c1ccccc1 ZINC000040107144 821139378 /nfs/dbraw/zinc/13/93/78/821139378.db2.gz IFGXXQCSQUSYHR-IBGZPJMESA-N 1 0 378.516 4.340 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)COc2ccccc2-c2ccccc2)C1 ZINC000040121341 821142418 /nfs/dbraw/zinc/14/24/18/821142418.db2.gz OKZMUTKVRBNEQE-PMACEKPBSA-N 1 0 380.532 4.217 50 0 GIAARO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3Cl)CC2)cc1F ZINC000047323132 822565658 /nfs/dbraw/zinc/56/56/58/822565658.db2.gz DMEQKJJEXOMKTG-UHFFFAOYSA-N 1 0 391.874 4.274 50 0 GIAARO Cn1cc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)c(-c2cccc(Cl)c2)n1 ZINC000055108321 822938889 /nfs/dbraw/zinc/93/88/89/822938889.db2.gz DJCPLWQAFWWIIW-NRFANRHFSA-N 1 0 396.922 4.317 50 0 GIAARO CSc1ncc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cn1 ZINC000055270073 822948634 /nfs/dbraw/zinc/94/86/34/822948634.db2.gz ZAPLHCAQJCSTQV-SFHVURJKSA-N 1 0 379.533 4.188 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(CCOCC4CCCC4)no3)C2)c1 ZINC000575316865 823953123 /nfs/dbraw/zinc/95/31/23/823953123.db2.gz JMZHTABUBFSUJG-FQEVSTJZSA-N 1 0 399.535 4.207 50 0 GIAARO CCOc1ccccc1C[NH+]1CCC(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000575544304 823975468 /nfs/dbraw/zinc/97/54/68/823975468.db2.gz COFLLMZFSRRZPW-UHFFFAOYSA-N 1 0 392.543 4.432 50 0 GIAARO COc1ccc(CCC(=O)N2CCC[C@H](Cn3c(C)c[nH+]c3C3CCC3)C2)cc1 ZINC000575547403 823975479 /nfs/dbraw/zinc/97/54/79/823975479.db2.gz AQIFIBALYLTXBL-FQEVSTJZSA-N 1 0 395.547 4.339 50 0 GIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)c2ncoc2-c2cccc(C)c2)C1 ZINC000575547955 823976184 /nfs/dbraw/zinc/97/61/84/823976184.db2.gz BFXTWZFIJNGAHW-GOSISDBHSA-N 1 0 376.460 4.120 50 0 GIAARO C[NH+](C)C1(CNC(=O)c2cccc(-c3ccc4ocnc4c3)c2)CCCCC1 ZINC000426403830 231214866 /nfs/dbraw/zinc/21/48/66/231214866.db2.gz WTSRDPGNRBSLFO-UHFFFAOYSA-N 1 0 377.488 4.489 50 0 GIAARO COc1ccc(F)cc1-c1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000426360033 231207003 /nfs/dbraw/zinc/20/70/03/231207003.db2.gz YIOPNRQQUZLCEP-QHCPKHFHSA-N 1 0 382.479 4.059 50 0 GIAARO Cc1nc([C@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CCCC2)c(C)s1 ZINC000426443117 231223269 /nfs/dbraw/zinc/22/32/69/231223269.db2.gz GDEUUZYTHMLBTH-HNNXBMFYSA-N 1 0 378.586 4.261 50 0 GIAARO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000019147573 210228653 /nfs/dbraw/zinc/22/86/53/210228653.db2.gz XFALIPLUSRIEOP-UHFFFAOYSA-N 1 0 378.407 4.058 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)[NH+]2CCCC2)cc1 ZINC000017911667 210211276 /nfs/dbraw/zinc/21/12/76/210211276.db2.gz FFEPXNGDHQCIAW-FQEVSTJZSA-N 1 0 396.462 4.456 50 0 GIAARO CCN(CC)c1ccc2cc(C(=O)Nc3cc(C)ccc3OC)c(=[NH2+])oc2c1 ZINC000017077569 210201030 /nfs/dbraw/zinc/20/10/30/210201030.db2.gz CCHBLJYTLRWRKL-UHFFFAOYSA-N 1 0 379.460 4.328 50 0 GIAARO CCOc1ccc(OCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000016506623 210190364 /nfs/dbraw/zinc/19/03/64/210190364.db2.gz HOAHFMLETBOVIO-UHFFFAOYSA-N 1 0 396.531 4.157 50 0 GIAARO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862299 210175495 /nfs/dbraw/zinc/17/54/95/210175495.db2.gz YDXMQALKLNRWJN-UHFFFAOYSA-N 1 0 384.907 4.447 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+](C)C)cc1 ZINC000015859699 210174729 /nfs/dbraw/zinc/17/47/29/210174729.db2.gz CUAMMRPMOLHNEG-IBGZPJMESA-N 1 0 383.879 4.336 50 0 GIAARO COc1cccc(OCCn2c3ccccc3nc2C[NH+]2CCCCCC2)c1 ZINC000015831916 210173462 /nfs/dbraw/zinc/17/34/62/210173462.db2.gz VHXPKWGTQAPZGM-UHFFFAOYSA-N 1 0 379.504 4.500 50 0 GIAARO COc1cccc(-c2noc(NCC3CC[NH+](Cc4ccccc4C)CC3)n2)c1 ZINC000015770850 210167558 /nfs/dbraw/zinc/16/75/58/210167558.db2.gz ZZYIGQFFZFHVGB-UHFFFAOYSA-N 1 0 392.503 4.378 50 0 GIAARO CC(C)(C)CN1CCC[C@]2(CC[N@H+](Cc3coc(-c4ccccc4)n3)C2)C1=O ZINC000015080654 210152850 /nfs/dbraw/zinc/15/28/50/210152850.db2.gz LJJSEXLDOYTIHI-HSZRJFAPSA-N 1 0 381.520 4.202 50 0 GIAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000015076245 210151310 /nfs/dbraw/zinc/15/13/10/210151310.db2.gz BNBIJSOBZIQMAX-MRXNPFEDSA-N 1 0 387.911 4.138 50 0 GIAARO CN(C(=O)c1ccc2cccc(F)c2n1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015073075 210149579 /nfs/dbraw/zinc/14/95/79/210149579.db2.gz NKTRGECGUDDAPG-FQEVSTJZSA-N 1 0 391.490 4.153 50 0 GIAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)cc1C ZINC000015068548 210149091 /nfs/dbraw/zinc/14/90/91/210149091.db2.gz FLRQJZRKQGFKMG-QGZVFWFLSA-N 1 0 381.472 4.136 50 0 GIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)CC1 ZINC000015067029 210148763 /nfs/dbraw/zinc/14/87/63/210148763.db2.gz ICEGCWSIACCNFL-LJQANCHMSA-N 1 0 394.515 4.355 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCC[C@@H]2CO)c(F)c1 ZINC000015066225 210147568 /nfs/dbraw/zinc/14/75/68/210147568.db2.gz IGGUBJNIKLKYTG-LJQANCHMSA-N 1 0 395.478 4.034 50 0 GIAARO C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1C[NH+](C)C)c1ccco1 ZINC000014984220 210141389 /nfs/dbraw/zinc/14/13/89/210141389.db2.gz OTRPIFBTVALIHK-QGZVFWFLSA-N 1 0 378.472 4.264 50 0 GIAARO O=c1c2c(ncn1C1CCCC1)sc1c2CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000014958735 210134338 /nfs/dbraw/zinc/13/43/38/210134338.db2.gz OSFMPMBEEYDOCY-MRXNPFEDSA-N 1 0 379.529 4.220 50 0 GIAARO O=c1c2c(ncn1C1CCCC1)sc1c2CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000014958731 210133394 /nfs/dbraw/zinc/13/33/94/210133394.db2.gz OSFMPMBEEYDOCY-INIZCTEOSA-N 1 0 379.529 4.220 50 0 GIAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCc1ccccc1 ZINC000014963955 210133319 /nfs/dbraw/zinc/13/33/19/210133319.db2.gz MOGHSWNMMMWAQZ-HXUWFJFHSA-N 1 0 390.449 4.419 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000014196999 210109843 /nfs/dbraw/zinc/10/98/43/210109843.db2.gz RYAMYQLNGOWUBH-LJQANCHMSA-N 1 0 383.492 4.066 50 0 GIAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1 ZINC000014142421 210105850 /nfs/dbraw/zinc/10/58/50/210105850.db2.gz LDPNDYAVSWRSIP-OAHLLOKOSA-N 1 0 379.485 4.290 50 0 GIAARO COc1ccc(CC[NH2+][C@H]2c3ccccc3C(=O)N2C2CCCCC2)cc1OC ZINC000013896203 210095413 /nfs/dbraw/zinc/09/54/13/210095413.db2.gz SRAXQYDHTXBAJZ-HSZRJFAPSA-N 1 0 394.515 4.323 50 0 GIAARO OCCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013727321 210084486 /nfs/dbraw/zinc/08/44/86/210084486.db2.gz PRVHFYHBEVWWLM-UHFFFAOYSA-N 1 0 378.310 4.280 50 0 GIAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717570 210083206 /nfs/dbraw/zinc/08/32/06/210083206.db2.gz GBDCTRGTUWACST-UHFFFAOYSA-N 1 0 393.491 4.276 50 0 GIAARO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012994600 210041406 /nfs/dbraw/zinc/04/14/06/210041406.db2.gz UISDUBYUBJBRII-INIZCTEOSA-N 1 0 379.529 4.181 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)n(-c2ccccc2C)n1 ZINC000012975233 210038749 /nfs/dbraw/zinc/03/87/49/210038749.db2.gz OQJGNXNRDGJTKP-HSZRJFAPSA-N 1 0 376.504 4.415 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2ccc(OC)cc2nc1C ZINC000012923873 210030500 /nfs/dbraw/zinc/03/05/00/210030500.db2.gz NNMHXYFQUVHGQZ-UHFFFAOYSA-N 1 0 391.515 4.324 50 0 GIAARO O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012886937 210023029 /nfs/dbraw/zinc/02/30/29/210023029.db2.gz PBDNGWSSXDHEEM-UHFFFAOYSA-N 1 0 377.315 4.317 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)n(-c2ccccc2C)n1 ZINC000012865960 210020544 /nfs/dbraw/zinc/02/05/44/210020544.db2.gz ZPDKQYHJNIDZBQ-INIZCTEOSA-N 1 0 382.895 4.432 50 0 GIAARO O=C(CCC1CC[NH+](C[C@@H]2CC=CCC2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012597601 209983566 /nfs/dbraw/zinc/98/35/66/209983566.db2.gz SGUYXVVSTYXLRH-LJQANCHMSA-N 1 0 384.520 4.245 50 0 GIAARO COc1ccc(-n2cc(C[N@H+](C)C3CCOCC3)c(-c3cccc(F)c3)n2)cc1 ZINC000012453586 209961406 /nfs/dbraw/zinc/96/14/06/209961406.db2.gz GBGWEVIXWLGZSR-UHFFFAOYSA-N 1 0 395.478 4.298 50 0 GIAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](C2CCSCC2)CC1 ZINC000012319673 209939580 /nfs/dbraw/zinc/93/95/80/209939580.db2.gz KLZAYBZNVXNSHK-UHFFFAOYSA-N 1 0 397.544 4.420 50 0 GIAARO COc1ccc(C[NH+]2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)cc1C ZINC000012094054 209908882 /nfs/dbraw/zinc/90/88/82/209908882.db2.gz NFPKQSYZUSGXDU-UHFFFAOYSA-N 1 0 392.499 4.228 50 0 GIAARO O=C(c1ccc(OC2CC[NH+](Cc3cccc(F)c3)CC2)cc1)N1CCCCC1 ZINC000011955681 209895249 /nfs/dbraw/zinc/89/52/49/209895249.db2.gz XLZSAMZGZZPSBM-UHFFFAOYSA-N 1 0 396.506 4.495 50 0 GIAARO CCCC[NH2+]C1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000011790138 209883091 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GIAARO COc1ccc(Br)cc1CN1CCC([NH+]2CCC(C)CC2)CC1 ZINC000002784951 209385389 /nfs/dbraw/zinc/38/53/89/209385389.db2.gz IVSMHMVOAMMWET-UHFFFAOYSA-N 1 0 381.358 4.154 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)c(Br)cc1OCCO ZINC000002882925 209395014 /nfs/dbraw/zinc/39/50/14/209395014.db2.gz PKRADNGMBZZFOT-AWEZNQCLSA-N 1 0 394.309 4.070 50 0 GIAARO O=C(c1cccc(Br)c1)c1cccc(CN2CCSCC2)c1 ZINC000002515282 209368326 /nfs/dbraw/zinc/36/83/26/209368326.db2.gz CIAJYKYXDFNWBT-UHFFFAOYSA-N 1 0 376.319 4.229 50 0 GIAARO O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000002503266 209368383 /nfs/dbraw/zinc/36/83/83/209368383.db2.gz LXUKCGHZRRLNRH-QFIPXVFZSA-N 1 0 389.524 4.264 50 0 GIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1 ZINC000002400807 209361125 /nfs/dbraw/zinc/36/11/25/209361125.db2.gz DUHPZVAZQUSFEI-OAQYLSRUSA-N 1 0 390.483 4.070 50 0 GIAARO Cc1c[nH]c2cccc(OC[C@@H](C[NH2+]C(C)(C)C)OC(=O)c3ccccc3)c12 ZINC000001898475 209342496 /nfs/dbraw/zinc/34/24/96/209342496.db2.gz YMEKUWLYUSAUHI-GOSISDBHSA-N 1 0 380.488 4.469 50 0 GIAARO CCOC(=O)c1c(NC(=O)C[NH2+]CC(C)C)sc(Cl)c1-c1ccccc1 ZINC000001466011 209329149 /nfs/dbraw/zinc/32/91/49/209329149.db2.gz JOLIKCRDQMQDOH-UHFFFAOYSA-N 1 0 394.924 4.429 50 0 GIAARO COc1ccc(Br)cc1CN1CCC([N@@H+]2CCC[C@H](C)C2)CC1 ZINC000001166568 209308594 /nfs/dbraw/zinc/30/85/94/209308594.db2.gz PVVZIKSNMTWZHQ-HNNXBMFYSA-N 1 0 381.358 4.154 50 0 GIAARO CC(C)CC[N@@H+]1CCN(CC(c2ccccc2)c2ccccc2)C[C@H]1CCO ZINC000036385755 209192567 /nfs/dbraw/zinc/19/25/67/209192567.db2.gz XUSXFDPXBDANPT-XMMPIXPASA-N 1 0 380.576 4.233 50 0 GIAARO C/C(=C\c1ccccc1)C[N@@H+]1CCOc2ccc([C@H](O)c3ccncc3)cc2C1 ZINC000299781768 212037442 /nfs/dbraw/zinc/03/74/42/212037442.db2.gz UVFCKGKBQDKZRY-DQJRMYJUSA-N 1 0 386.495 4.461 50 0 GIAARO COc1cccc(-c2cccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCCC3)c2)c1 ZINC000299776975 212035931 /nfs/dbraw/zinc/03/59/31/212035931.db2.gz MVFAAKJHJAWDDG-JOCHJYFZSA-N 1 0 378.516 4.453 50 0 GIAARO Cc1cc(C)nc(-c2cccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)c2)c1 ZINC000299763746 212033731 /nfs/dbraw/zinc/03/37/31/212033731.db2.gz QQNOWKRAUXZJKT-HXUWFJFHSA-N 1 0 379.529 4.460 50 0 GIAARO CC(C)n1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261491785 212029911 /nfs/dbraw/zinc/02/99/11/212029911.db2.gz JGVQKLSVWNHMEU-UHFFFAOYSA-N 1 0 392.532 4.080 50 0 GIAARO Cc1ccc(-c2nc(C(=O)N3c4ccccc4CC[C@H]3C[NH+](C)C)cs2)o1 ZINC000328596724 209144578 /nfs/dbraw/zinc/14/45/78/209144578.db2.gz UTMXQQUATDPQQJ-INIZCTEOSA-N 1 0 381.501 4.235 50 0 GIAARO CC[NH+](CC)CCCSc1nnc(Nc2cccc(NC(C)=O)c2)s1 ZINC000170605583 211660375 /nfs/dbraw/zinc/66/03/75/211660375.db2.gz QYNDMBCUNSFMDV-UHFFFAOYSA-N 1 0 379.555 4.064 50 0 GIAARO Cc1nn(C)c(Oc2cccnc2)c1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000097032514 211356583 /nfs/dbraw/zinc/35/65/83/211356583.db2.gz ZRHMGGJMFWXXMV-NRFANRHFSA-N 1 0 377.492 4.428 50 0 GIAARO COc1cc(CNCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc(OC)c1OC ZINC000097002545 211355181 /nfs/dbraw/zinc/35/51/81/211355181.db2.gz IBZPQMVCKGFSEO-GOSISDBHSA-N 1 0 398.547 4.466 50 0 GIAARO C[NH+](C)C[C@@H](NC(=O)/C=C\c1cc(Br)ccc1F)c1ccccc1 ZINC000096920597 211350631 /nfs/dbraw/zinc/35/06/31/211350631.db2.gz OPBBELZPZJYMCZ-IBWPDUFMSA-N 1 0 391.284 4.021 50 0 GIAARO C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccc2c(c1)OCCO2 ZINC000096875449 211349400 /nfs/dbraw/zinc/34/94/00/211349400.db2.gz ODLKPXNXYCXCBJ-UHFFFAOYSA-N 1 0 385.467 4.405 50 0 GIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3csc(NC)n3)CC2)C1 ZINC000096167127 211316873 /nfs/dbraw/zinc/31/68/73/211316873.db2.gz MEXLMRYPYHECIU-IBGZPJMESA-N 1 0 384.593 4.276 50 0 GIAARO Cc1cccnc1[C@H](C)[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000096164317 211315314 /nfs/dbraw/zinc/31/53/14/211315314.db2.gz UEEUVIMYAHRNJF-INIZCTEOSA-N 1 0 379.533 4.228 50 0 GIAARO COc1cccc([C@H]([NH2+]C2CCC(NC(C)=O)CC2)c2ccccc2Cl)c1 ZINC000095995559 211293296 /nfs/dbraw/zinc/29/32/96/211293296.db2.gz TUCNBDFKCPAJOY-IRZJEQJZSA-N 1 0 386.923 4.475 50 0 GIAARO Cc1nn(C)c2nc(NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCC3)sc12 ZINC000096135714 211307316 /nfs/dbraw/zinc/30/73/16/211307316.db2.gz RVDKSAGBELDJSI-OAHLLOKOSA-N 1 0 375.929 4.241 50 0 GIAARO CCn1cc(CN(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cn1 ZINC000096136820 211306773 /nfs/dbraw/zinc/30/67/73/211306773.db2.gz RDIKEUIENAKZRS-UHFFFAOYSA-N 1 0 383.540 4.331 50 0 GIAARO COCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)s1 ZINC000096140026 211306644 /nfs/dbraw/zinc/30/66/44/211306644.db2.gz PMPGVVFNIUEPFR-LJQANCHMSA-N 1 0 398.572 4.236 50 0 GIAARO Cc1ccc(F)cc1NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000095959308 211287451 /nfs/dbraw/zinc/28/74/51/211287451.db2.gz APBYUMIWNSZNLZ-KRWDZBQOSA-N 1 0 385.483 4.156 50 0 GIAARO CC(C)n1cccc1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000095521031 211268012 /nfs/dbraw/zinc/26/80/12/211268012.db2.gz FAEHVOXRKYYTEU-UHFFFAOYSA-N 1 0 385.527 4.235 50 0 GIAARO CO[C@H](C)C(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000095518770 211264667 /nfs/dbraw/zinc/26/46/67/211264667.db2.gz DYECIGLONGASLJ-HXUWFJFHSA-N 1 0 386.580 4.056 50 0 GIAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000095513337 211262634 /nfs/dbraw/zinc/26/26/34/211262634.db2.gz RHOCUHHFSKFQIA-OAHLLOKOSA-N 1 0 394.441 4.368 50 0 GIAARO COCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000095511405 211261637 /nfs/dbraw/zinc/26/16/37/211261637.db2.gz CLSDALUQKNANJU-LJQANCHMSA-N 1 0 377.488 4.132 50 0 GIAARO Cc1ccc(SCCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000095482549 211250339 /nfs/dbraw/zinc/25/03/39/211250339.db2.gz WPCVSRRGCWHYJE-UHFFFAOYSA-N 1 0 398.572 4.267 50 0 GIAARO Cc1ccc(-c2ccsc2C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000095427340 211238419 /nfs/dbraw/zinc/23/84/19/211238419.db2.gz ZDSSODIEHMEESA-NHCUHLMSSA-N 1 0 398.572 4.221 50 0 GIAARO Cc1ncc(C[NH+]2CCCCC2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095474921 211246776 /nfs/dbraw/zinc/24/67/76/211246776.db2.gz FVUYAQIMLLWOHP-UHFFFAOYSA-N 1 0 392.455 4.124 50 0 GIAARO COc1cc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)cc(OC)c1OC(F)F ZINC000095463787 211244735 /nfs/dbraw/zinc/24/47/35/211244735.db2.gz VNAKQHFGCLTCFN-XIKOKIGWSA-N 1 0 399.409 4.310 50 0 GIAARO Cc1nc(CN2CCC[N@H+](Cc3ccc(Cl)c4cccnc34)CC2)cs1 ZINC000095381581 211231584 /nfs/dbraw/zinc/23/15/84/211231584.db2.gz VGWGRUNMOXZOGT-UHFFFAOYSA-N 1 0 386.952 4.361 50 0 GIAARO COc1ccc(F)cc1C[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091997855 211213263 /nfs/dbraw/zinc/21/32/63/211213263.db2.gz YIFBNEKNYGJBEG-UHFFFAOYSA-N 1 0 396.506 4.239 50 0 GIAARO CCOc1ccc2nc(C[N@@H+]3CC[C@@H](Cc4ccc(CO)cc4)C3)ccc2c1 ZINC000091680260 211204509 /nfs/dbraw/zinc/20/45/09/211204509.db2.gz RDOYIFRVDHMGHG-FQEVSTJZSA-N 1 0 376.500 4.190 50 0 GIAARO CC[NH+](CC)Cc1cc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)c(-c2ccccc2)o1 ZINC000091645769 211201639 /nfs/dbraw/zinc/20/16/39/211201639.db2.gz OFVCIWWBYNMLAF-HXOBKFHXSA-N 1 0 384.520 4.021 50 0 GIAARO O=C1CCC2(CC[NH+](Cc3ccc(Cl)s3)CC2)CN1Cc1ccccn1 ZINC000091745388 211206614 /nfs/dbraw/zinc/20/66/14/211206614.db2.gz KPGCAAWQMGAWHM-UHFFFAOYSA-N 1 0 389.952 4.201 50 0 GIAARO O=C1CCC2(CC[NH+](Cc3cc4ccccc4o3)CC2)CN1Cc1ccncc1 ZINC000091288949 211190785 /nfs/dbraw/zinc/19/07/85/211190785.db2.gz KICRWIPBGWUXBN-UHFFFAOYSA-N 1 0 389.499 4.233 50 0 GIAARO CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc1 ZINC000091321870 211189443 /nfs/dbraw/zinc/18/94/43/211189443.db2.gz DDUXDHYINNRQIP-FGZHOGPDSA-N 1 0 377.532 4.017 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651189 211178274 /nfs/dbraw/zinc/17/82/74/211178274.db2.gz FWOSZMXPWJINAR-UHFFFAOYSA-N 1 0 384.455 4.172 50 0 GIAARO CCc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(OC)c3)CC2)nc1 ZINC000077519267 211136641 /nfs/dbraw/zinc/13/66/41/211136641.db2.gz QVCIQTFTGGQTTE-UHFFFAOYSA-N 1 0 376.504 4.422 50 0 GIAARO CC(C)Oc1cccc2c1c(NC(=O)C[N@H+](C)C(C)C)nn2-c1ccc(F)cc1 ZINC000072423602 211115489 /nfs/dbraw/zinc/11/54/89/211115489.db2.gz BUUARUCTAILOCF-UHFFFAOYSA-N 1 0 398.482 4.231 50 0 GIAARO OC[C@H]1C=CC[N@@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072478825 211124515 /nfs/dbraw/zinc/12/45/15/211124515.db2.gz VLTNTYCMHVQKDT-GOSISDBHSA-N 1 0 394.858 4.017 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCCOCC2)cc1F ZINC000072463147 211121506 /nfs/dbraw/zinc/12/15/06/211121506.db2.gz GQMFBGJZTSFIEF-UHFFFAOYSA-N 1 0 395.478 4.218 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@](C)(O)C2)c(F)c1 ZINC000072430325 211117202 /nfs/dbraw/zinc/11/72/02/211117202.db2.gz JGPWTTHNOSTZLD-QHCPKHFHSA-N 1 0 395.478 4.034 50 0 GIAARO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)on1 ZINC000072169382 211080946 /nfs/dbraw/zinc/08/09/46/211080946.db2.gz GHZAQPWPDGOPAZ-HXUWFJFHSA-N 1 0 387.499 4.310 50 0 GIAARO CNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000071774678 211063148 /nfs/dbraw/zinc/06/31/48/211063148.db2.gz CSGMFEIHAGGNSC-GOSISDBHSA-N 1 0 391.471 4.010 50 0 GIAARO COc1ccccc1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071763533 211060385 /nfs/dbraw/zinc/06/03/85/211060385.db2.gz RNCBUDWWKGSGPX-NRFANRHFSA-N 1 0 384.495 4.093 50 0 GIAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(O)c1 ZINC000071748959 211052991 /nfs/dbraw/zinc/05/29/91/211052991.db2.gz NWEHBKTXXGMBKO-OAQYLSRUSA-N 1 0 384.495 4.212 50 0 GIAARO COc1cccc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071749816 211056707 /nfs/dbraw/zinc/05/67/07/211056707.db2.gz UBPVDCPSDYJVAR-QFIPXVFZSA-N 1 0 384.495 4.093 50 0 GIAARO Cc1cccc2c1ccn2CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000071375874 211047574 /nfs/dbraw/zinc/04/75/74/211047574.db2.gz FTNZNQUQKQIRKK-UHFFFAOYSA-N 1 0 375.516 4.121 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H](c1ccccc1)C(F)(F)F ZINC000069417677 211038519 /nfs/dbraw/zinc/03/85/19/211038519.db2.gz VHQRCIKTLLEJIN-WBVHZDCISA-N 1 0 381.398 4.019 50 0 GIAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067641847 211012682 /nfs/dbraw/zinc/01/26/82/211012682.db2.gz HTSVUYBLLFRESJ-KSFYIVLOSA-N 1 0 388.515 4.002 50 0 GIAARO CCOC(=O)C1CC[NH+](Cc2c(-c3ccc(C)cc3)nc3sccn23)CC1 ZINC000057255084 210896662 /nfs/dbraw/zinc/89/66/62/210896662.db2.gz NZUYXAHATZYKDP-UHFFFAOYSA-N 1 0 383.517 4.146 50 0 GIAARO c1sc2ncn3c(SCC[NH+]4CCCC4)nnc3c2c1-c1ccccc1 ZINC000036646128 210731107 /nfs/dbraw/zinc/73/11/07/210731107.db2.gz XGMMEKJBLBJRJY-UHFFFAOYSA-N 1 0 381.530 4.194 50 0 GIAARO O=C(Cn1ccc2ccc(Cl)cc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032089169 210570970 /nfs/dbraw/zinc/57/09/70/210570970.db2.gz BRRMOXHOMNBARX-UHFFFAOYSA-N 1 0 381.907 4.076 50 0 GIAARO C[C@@H](CCc1ccco1)NC(=O)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663513 210389352 /nfs/dbraw/zinc/38/93/52/210389352.db2.gz UGYLKQJMNAUEPY-KRWDZBQOSA-N 1 0 387.549 4.004 50 0 GIAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000021841507 210394955 /nfs/dbraw/zinc/39/49/55/210394955.db2.gz DUPLHFHHKNUOTC-DEOSSOPVSA-N 1 0 388.559 4.221 50 0 GIAARO Cc1cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(=O)n1Cc1ccco1 ZINC000021098259 210376893 /nfs/dbraw/zinc/37/68/93/210376893.db2.gz OPFNBADYICYCBD-JOCHJYFZSA-N 1 0 396.462 4.218 50 0 aggregator GIAARO CCOc1ccc([C@@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021168415 210380122 /nfs/dbraw/zinc/38/01/22/210380122.db2.gz YZELSFCZUDEPPS-ZEQRLZLVSA-N 1 0 383.532 4.045 50 0 GIAARO CCCOc1c(Br)cc(C[NH2+]CCCn2ccnc2)cc1OCC ZINC000020932585 210370755 /nfs/dbraw/zinc/37/07/55/210370755.db2.gz HCOKZIMHKPZVQD-UHFFFAOYSA-N 1 0 396.329 4.013 50 0 GIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CC1CCCC1 ZINC000020919167 210368873 /nfs/dbraw/zinc/36/88/73/210368873.db2.gz LHDBKRWWGHMFQP-JOCHJYFZSA-N 1 0 386.580 4.379 50 0 GIAARO COc1ccc(C)cc1NC(=O)NCC1CC[NH+](Cc2ccccc2C)CC1 ZINC000020889676 210366354 /nfs/dbraw/zinc/36/63/54/210366354.db2.gz ISHMUHFSTIBUCR-UHFFFAOYSA-N 1 0 381.520 4.346 50 0 GIAARO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccc(C)cc1 ZINC000020873994 210365169 /nfs/dbraw/zinc/36/51/69/210365169.db2.gz YBUHLTRERLLTQS-QFIPXVFZSA-N 1 0 377.484 4.406 50 0 GIAARO COc1cccc([C@H]2CCCC[N@@H+]2Cc2cccc(-c3nc(C)cc(=O)[nH]3)c2)c1 ZINC000020783097 210361417 /nfs/dbraw/zinc/36/14/17/210361417.db2.gz MFQUSWGHXWNWKP-JOCHJYFZSA-N 1 0 389.499 4.481 50 0 GIAARO O[C@@](c1ccccc1)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020792782 210361339 /nfs/dbraw/zinc/36/13/39/210361339.db2.gz NAOLDPFPKNQJJY-DQEYMECFSA-N 1 0 391.486 4.178 50 0 GIAARO Cc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)cc1 ZINC000020576372 210348345 /nfs/dbraw/zinc/34/83/45/210348345.db2.gz IPBAWMQXUJJXRS-UHFFFAOYSA-N 1 0 381.549 4.163 50 0 GIAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000020575063 210347817 /nfs/dbraw/zinc/34/78/17/210347817.db2.gz PPXJJTZOEGKVJJ-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO OCC[C@H]1C[N@H+](Cc2ccccc2-c2ccco2)CCN1Cc1ccsc1 ZINC000020538788 210346894 /nfs/dbraw/zinc/34/68/94/210346894.db2.gz RQHUOWKEBMZIDT-FQEVSTJZSA-N 1 0 382.529 4.077 50 0 GIAARO CCOc1c(C[NH2+]CCc2ccc(OC)cc2)cc(Br)cc1OC ZINC000020476789 210339530 /nfs/dbraw/zinc/33/95/30/210339530.db2.gz QQRCVLDNQVDTFE-UHFFFAOYSA-N 1 0 394.309 4.197 50 0 GIAARO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccco4)C3)CC2)c1 ZINC000020455417 210336602 /nfs/dbraw/zinc/33/66/02/210336602.db2.gz SYZDEHAZVIIWHF-LJQANCHMSA-N 1 0 393.453 4.085 50 0 GIAARO Cc1cccc([C@](O)(c2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000020440655 210333523 /nfs/dbraw/zinc/33/35/23/210333523.db2.gz DGRSYBGFFBYEHK-CLJLJLNGSA-N 1 0 387.523 4.347 50 0 GIAARO CC[NH+]1CCN(CCCOc2ccc3ccccc3c2Br)CC1 ZINC000020406485 210332169 /nfs/dbraw/zinc/33/21/69/210332169.db2.gz YDGDWPVBMUXSOV-UHFFFAOYSA-N 1 0 377.326 4.009 50 0 GIAARO CNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cc(C)n(-c3cccnc3)c2C)s1 ZINC000020203487 210321821 /nfs/dbraw/zinc/32/18/21/210321821.db2.gz WRNXTSBSTFUCDK-LJQANCHMSA-N 1 0 394.544 4.247 50 0 GIAARO OCC[NH+]1CCN(Cc2ccccc2Sc2cccc3ccccc32)CC1 ZINC000019801848 210298752 /nfs/dbraw/zinc/29/87/52/210298752.db2.gz ZUNPGRJCRBPBND-UHFFFAOYSA-N 1 0 378.541 4.101 50 0 GIAARO CCOc1c(Br)cc(C[NH2+]CCc2ccc(F)cc2)cc1OC ZINC000019922754 210307821 /nfs/dbraw/zinc/30/78/21/210307821.db2.gz WKULQINUSHLLDU-UHFFFAOYSA-N 1 0 382.273 4.328 50 0 GIAARO FC(F)(F)c1cc(-c2ccco2)nc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019894412 210307652 /nfs/dbraw/zinc/30/76/52/210307652.db2.gz HKICAJFOJCGUSA-UHFFFAOYSA-N 1 0 388.393 4.078 50 0 GIAARO COc1ccc(-n2c(C[NH2+]CCc3ccc(C)cc3)nc3ccccc3c2=O)cc1 ZINC000019908671 210306918 /nfs/dbraw/zinc/30/69/18/210306918.db2.gz UAWZBFKYIYNGGK-UHFFFAOYSA-N 1 0 399.494 4.035 50 0 GIAARO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000019774464 210296712 /nfs/dbraw/zinc/29/67/12/210296712.db2.gz HQBSCYXQTZRBRR-INIZCTEOSA-N 1 0 379.435 4.324 50 0 GIAARO COc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1Br ZINC000019781803 210296349 /nfs/dbraw/zinc/29/63/49/210296349.db2.gz NBUSPEHSDWCPHT-UHFFFAOYSA-N 1 0 389.337 4.084 50 0 GIAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC000019774351 210296380 /nfs/dbraw/zinc/29/63/80/210296380.db2.gz AOGKAOUCTAPNMX-FQEVSTJZSA-N 1 0 381.486 4.234 50 0 GIAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000019773511 210296045 /nfs/dbraw/zinc/29/60/45/210296045.db2.gz SPDKJAHHONYPBM-JOCHJYFZSA-N 1 0 385.596 4.252 50 0 GIAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)ccc21 ZINC000019607096 210275295 /nfs/dbraw/zinc/27/52/95/210275295.db2.gz FLMSCWWEWBLSPV-FQEVSTJZSA-N 1 0 377.532 4.111 50 0 GIAARO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCCCC3)cc2O)cc1 ZINC000008742747 221054419 /nfs/dbraw/zinc/05/44/19/221054419.db2.gz PEZRHTAQHUKSFI-UHFFFAOYSA-N 1 0 393.487 4.323 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2nc3ccccc3n2C)C1 ZINC000011820150 221128791 /nfs/dbraw/zinc/12/87/91/221128791.db2.gz XLMVBBFPNVATRS-NRFANRHFSA-N 1 0 390.575 4.268 50 0 GIAARO CSCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000011821671 221129635 /nfs/dbraw/zinc/12/96/35/221129635.db2.gz WYWXUQUUNZGFMC-LJQANCHMSA-N 1 0 385.533 4.420 50 0 GIAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000011838315 221130512 /nfs/dbraw/zinc/13/05/12/221130512.db2.gz ULFYZMNBPFVSIK-UHFFFAOYSA-N 1 0 384.568 4.329 50 0 GIAARO O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccccc1Cl ZINC000016994205 221375071 /nfs/dbraw/zinc/37/50/71/221375071.db2.gz AOMWDOIVOWVVDD-UHFFFAOYSA-O 1 0 387.290 4.334 50 0 GIAARO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040104063 132396093 /nfs/dbraw/zinc/39/60/93/132396093.db2.gz VAYDTMXHHXVSQW-INIZCTEOSA-N 1 0 386.927 4.317 50 0 GIAARO Cc1cc(C)cc(N2CCC([N@@H+]3CCC[C@H](CCC(=O)N4CCCC4)C3)CC2)c1 ZINC000039363340 136153743 /nfs/dbraw/zinc/15/37/43/136153743.db2.gz IOVYFPJTEJEJCV-JOCHJYFZSA-N 1 0 397.607 4.387 50 0 GIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(c2ccccc2)CC1 ZINC000059410496 136155613 /nfs/dbraw/zinc/15/56/13/136155613.db2.gz LTZXTCGSLVIUMX-AFFJLAOCSA-N 1 0 394.559 4.267 50 0 GIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3C=C12 ZINC000061992865 136156266 /nfs/dbraw/zinc/15/62/66/136156266.db2.gz KOEZUQWSZXYTHE-FSIRCMOZSA-N 1 0 394.559 4.123 50 0 GIAARO CCc1cc(N2CCC([NH2+]Cc3c(Cl)cccc3N3CCCC3)CC2)ncn1 ZINC000089282927 136175543 /nfs/dbraw/zinc/17/55/43/136175543.db2.gz UTAOOMROBBVFGW-UHFFFAOYSA-N 1 0 399.970 4.051 50 0 GIAARO Cc1[nH]c2cc(C)ccc2c1[C@@H](O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000020057330 136202503 /nfs/dbraw/zinc/20/25/03/136202503.db2.gz UUHTWGVGWOAKIR-QHCPKHFHSA-N 1 0 377.532 4.257 50 0 GIAARO COc1ccccc1CNC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426474473 534088459 /nfs/dbraw/zinc/08/84/59/534088459.db2.gz XRGDYUGNEYCZRA-OAQYLSRUSA-N 1 0 381.520 4.194 50 0 GIAARO FC(F)(F)Oc1cc(Br)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000241383521 534403002 /nfs/dbraw/zinc/40/30/02/534403002.db2.gz MVYMVCBIMUIPRH-NEPJUHHUSA-N 1 0 379.220 4.386 50 0 GIAARO C[NH2+]C[C@@H]1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)C1 ZINC000178974267 522055504 /nfs/dbraw/zinc/05/55/04/522055504.db2.gz UFFNTXQQQXGSAA-HNNXBMFYSA-N 1 0 398.890 4.347 50 0 GIAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CC2CCCCC2)CC1 ZINC000058152688 535746133 /nfs/dbraw/zinc/74/61/33/535746133.db2.gz FFBHPSKLCDBRQU-KRWDZBQOSA-N 1 0 375.532 4.115 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1c(C)noc1-c1ccc(OC(F)(F)F)cc1 ZINC000022628383 570264558 /nfs/dbraw/zinc/26/45/58/570264558.db2.gz AVYQLVHTNSQSOZ-UHFFFAOYSA-N 1 0 399.413 4.010 50 0 GIAARO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000071889331 570270227 /nfs/dbraw/zinc/27/02/27/570270227.db2.gz AECDAUPPFXJJKP-FQEVSTJZSA-N 1 0 393.369 4.452 50 0 GIAARO CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012876215 570274734 /nfs/dbraw/zinc/27/47/34/570274734.db2.gz XEQWHZAKAZPSDF-QGZVFWFLSA-N 1 0 376.884 4.044 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCCCO1 ZINC000215467053 570289315 /nfs/dbraw/zinc/28/93/15/570289315.db2.gz VIYPTMDJNGILSC-HSZRJFAPSA-N 1 0 378.516 4.003 50 0 GIAARO CC(C)C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000034683665 570301457 /nfs/dbraw/zinc/30/14/57/570301457.db2.gz SUOFURAIFUINAL-UHFFFAOYSA-N 1 0 390.524 4.141 50 0 GIAARO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Cl)c1OCC ZINC000022074397 570304878 /nfs/dbraw/zinc/30/48/78/570304878.db2.gz IURNDMYDGGOMTK-UHFFFAOYSA-N 1 0 393.911 4.487 50 0 GIAARO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Br)c1OC ZINC000022074671 570304896 /nfs/dbraw/zinc/30/48/96/570304896.db2.gz ZSELXMRSYHOSJH-UHFFFAOYSA-N 1 0 382.273 4.328 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000106979733 570307708 /nfs/dbraw/zinc/30/77/08/570307708.db2.gz OMAUPCNWWKFXJR-HNNXBMFYSA-N 1 0 398.551 4.493 50 0 GIAARO COc1cccc(C[N@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)c1 ZINC000022240783 570309799 /nfs/dbraw/zinc/30/97/99/570309799.db2.gz FQLINUOWZIKRRO-QFIPXVFZSA-N 1 0 377.484 4.234 50 0 GIAARO CCCC[NH2+]Cc1cc(I)c(OC(C)C)c(OCC)c1 ZINC000002863689 570312335 /nfs/dbraw/zinc/31/23/35/570312335.db2.gz JNDQQRFUUPIHKE-UHFFFAOYSA-N 1 0 391.293 4.367 50 0 GIAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](C[C@H](O)c1ccccc1)CC2 ZINC000035310587 570323827 /nfs/dbraw/zinc/32/38/27/570323827.db2.gz VVHYMQWHTKCPDC-WIOPSUGQSA-N 1 0 389.495 4.385 50 0 GIAARO c1cc(-c2noc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)n2)cs1 ZINC000022800221 570328870 /nfs/dbraw/zinc/32/88/70/570328870.db2.gz YHHGNVYORMYZOM-UHFFFAOYSA-N 1 0 390.512 4.269 50 0 GIAARO OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C1CCCCC1 ZINC000022851270 570330979 /nfs/dbraw/zinc/33/09/79/570330979.db2.gz WBSXUVARARSOHE-HXUWFJFHSA-N 1 0 385.577 4.011 50 0 GIAARO CCCOc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1Br ZINC000113398904 570331882 /nfs/dbraw/zinc/33/18/82/570331882.db2.gz CCWYNVNCXIZAHX-UHFFFAOYSA-N 1 0 388.309 4.447 50 0 GIAARO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1c(Cl)cccc1Cl ZINC000022932866 570337525 /nfs/dbraw/zinc/33/75/25/570337525.db2.gz RPJWOKSXUAEVOF-UHFFFAOYSA-N 1 0 398.359 4.201 50 0 GIAARO CC[NH+]1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000022933172 570337858 /nfs/dbraw/zinc/33/78/58/570337858.db2.gz YROBLCGYSOGHTF-UHFFFAOYSA-N 1 0 389.952 4.067 50 0 GIAARO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3cccc(F)c3)c2)cc1 ZINC000024084742 570345186 /nfs/dbraw/zinc/34/51/86/570345186.db2.gz XMWRDHMUUZSKFV-UHFFFAOYSA-N 1 0 378.447 4.419 50 0 GIAARO COCCC[C@H]1CCC[N@@H+](C2CCN(c3ccc(-c4cc[nH]n4)cc3)CC2)C1 ZINC000023251731 570352747 /nfs/dbraw/zinc/35/27/47/570352747.db2.gz DVYSVOFCJZJTNH-LJQANCHMSA-N 1 0 382.552 4.184 50 0 GIAARO Cc1ccc(-n2cc(C[NH2+]CCc3cnn(C)c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000023337990 570354937 /nfs/dbraw/zinc/35/49/37/570354937.db2.gz BGNCVNHADQSJEQ-UHFFFAOYSA-N 1 0 389.478 4.053 50 0 GIAARO O[C@H](c1ccccn1)C1CC[NH+](Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000023380521 570359326 /nfs/dbraw/zinc/35/93/26/570359326.db2.gz LGDOSXPNUGCRNN-QHCPKHFHSA-N 1 0 388.471 4.164 50 0 GIAARO COc1ccc([C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)C)cc1 ZINC000604404888 570361484 /nfs/dbraw/zinc/36/14/84/570361484.db2.gz IKAJZSOJQKSGBW-KSEOMHKRSA-N 1 0 387.568 4.298 50 0 GIAARO O=C(Nc1ccccc1)OC[C@@H](C[NH+]1CCCCC1)OC(=O)Nc1ccccc1 ZINC000004213008 570362969 /nfs/dbraw/zinc/36/29/69/570362969.db2.gz YUGZHQHSNYIFLG-HXUWFJFHSA-N 1 0 397.475 4.338 50 0 in-man GIAARO Cc1nc(-c2cccc(N3CCC([NH2+]CCc4ccccn4)CC3)c2)cs1 ZINC000023479128 570363645 /nfs/dbraw/zinc/36/36/45/570363645.db2.gz DKKRTLWDQGAMOK-UHFFFAOYSA-N 1 0 378.545 4.315 50 0 GIAARO COCCn1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3c3cccnc3)s2)n1 ZINC000023541836 570364862 /nfs/dbraw/zinc/36/48/62/570364862.db2.gz BPIADACXJHZXOT-FQEVSTJZSA-N 1 0 382.533 4.380 50 0 GIAARO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000004302731 570366670 /nfs/dbraw/zinc/36/66/70/570366670.db2.gz MISJSONIEDURRL-UHFFFAOYSA-N 1 0 385.870 4.353 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccccc1C(F)(F)F ZINC000023654287 570368924 /nfs/dbraw/zinc/36/89/24/570368924.db2.gz CKHJYJPEHYPWMF-UHFFFAOYSA-N 1 0 377.410 4.018 50 0 GIAARO O=C(Nc1ccc2ccccc2c1)N1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000004395049 570373772 /nfs/dbraw/zinc/37/37/72/570373772.db2.gz JKMNBSKXALAJEQ-UHFFFAOYSA-N 1 0 389.499 4.458 50 0 GIAARO CSc1ccc(CN(C)Cn2nc(C[NH+]3CCCCC3)oc2=S)cc1 ZINC000024375164 570382755 /nfs/dbraw/zinc/38/27/55/570382755.db2.gz SFUBTITVBFDOOK-UHFFFAOYSA-N 1 0 378.567 4.003 50 0 GIAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](C[C@@H]4CC=CCC4)CC3)CC2)c1C ZINC000004561101 570384645 /nfs/dbraw/zinc/38/46/45/570384645.db2.gz FVAAMBZWCCZARO-JOCHJYFZSA-N 1 0 395.591 4.020 50 0 GIAARO Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000024925365 570398547 /nfs/dbraw/zinc/39/85/47/570398547.db2.gz SPBJCXYYWFUSDJ-UHFFFAOYSA-N 1 0 377.410 4.018 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cccc3ncccc32)[NH+]2CCCCC2)cc1 ZINC000024969593 570400404 /nfs/dbraw/zinc/40/04/04/570400404.db2.gz SYEVKIISWQNIJY-HSZRJFAPSA-N 1 0 389.499 4.200 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccsc1 ZINC000025329714 570410997 /nfs/dbraw/zinc/41/09/97/570410997.db2.gz RFILKUNSEPFBCE-MRXNPFEDSA-N 1 0 378.588 4.259 50 0 GIAARO COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000004898986 570416550 /nfs/dbraw/zinc/41/65/50/570416550.db2.gz CLEXUAUMGOONAO-QFIPXVFZSA-N 1 0 391.515 4.439 50 0 GIAARO C[NH+](C)CCN(C(=O)CCc1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000005121429 570420887 /nfs/dbraw/zinc/42/08/87/570420887.db2.gz AKANOQCBLUASKQ-UHFFFAOYSA-N 1 0 387.936 4.477 50 0 GIAARO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000239284699 570428845 /nfs/dbraw/zinc/42/88/45/570428845.db2.gz BXJKCGCJXLNCFG-CVDCTZTESA-N 1 0 387.527 4.456 50 0 GIAARO O=C(NCC1(c2cccc(F)c2)CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000222881559 570429930 /nfs/dbraw/zinc/42/99/30/570429930.db2.gz DTEABIKSNHGMND-QFIPXVFZSA-N 1 0 380.507 4.418 50 0 GIAARO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000239667647 570430486 /nfs/dbraw/zinc/43/04/86/570430486.db2.gz BQZYCSZDBNSNBU-ZOCIIQOWSA-N 1 0 386.467 4.096 50 0 GIAARO CCc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027581524 570436614 /nfs/dbraw/zinc/43/66/14/570436614.db2.gz DXAGFZJXRNYTJJ-OAQYLSRUSA-N 1 0 386.923 4.235 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1cc(Br)ccc1F)c1ccsc1 ZINC000025811496 570436698 /nfs/dbraw/zinc/43/66/98/570436698.db2.gz OBRALUZRTRPOHV-GIZXNFQBSA-N 1 0 397.313 4.082 50 0 GIAARO CCCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1 ZINC000027747554 570441760 /nfs/dbraw/zinc/44/17/60/570441760.db2.gz RIRZJJGUDSJJJA-HSZRJFAPSA-N 1 0 396.531 4.441 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028289784 570455456 /nfs/dbraw/zinc/45/54/56/570455456.db2.gz GGLZGMNUFDLSHJ-LJQANCHMSA-N 1 0 392.499 4.123 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1cc(=O)c2ccccc2o1 ZINC000028289951 570455620 /nfs/dbraw/zinc/45/56/20/570455620.db2.gz UQIQZOMHRVWOPM-KRWDZBQOSA-N 1 0 396.512 4.202 50 0 GIAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc4ccccc4o3)CC2)c1 ZINC000026954229 570458758 /nfs/dbraw/zinc/45/87/58/570458758.db2.gz DIJKUIXRAWOVGJ-UHFFFAOYSA-N 1 0 391.515 4.073 50 0 in-vitro GIAARO Brc1cc2c(cc1C[n+]1ccc(Cc3ccccc3)cc1)OCCO2 ZINC000029393156 570473110 /nfs/dbraw/zinc/47/31/10/570473110.db2.gz JSSLIROQNGNMEV-UHFFFAOYSA-N 1 0 397.292 4.147 50 0 GIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NOCc2ccccc2)cc1 ZINC000029728564 570478607 /nfs/dbraw/zinc/47/86/07/570478607.db2.gz AXDBZDGOGGYZTR-UHFFFAOYSA-N 1 0 389.499 4.346 50 0 GIAARO COc1ccc(C[NH2+]C[C@@](C)(O)C(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000072289925 570482946 /nfs/dbraw/zinc/48/29/46/570482946.db2.gz JQNWRPDOEUIWQP-RUZDIDTESA-N 1 0 391.511 4.377 50 0 GIAARO CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000064593969 570490499 /nfs/dbraw/zinc/49/04/99/570490499.db2.gz DTIKQZQYFSLVAL-UHFFFAOYSA-N 1 0 395.934 4.301 50 0 GIAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 ZINC000061720464 570502987 /nfs/dbraw/zinc/50/29/87/570502987.db2.gz UPEDLYRJCFFGER-ISKFKSNPSA-N 1 0 388.442 4.329 50 0 GIAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)o3)CC2)c2ccccc21 ZINC000064669849 570515096 /nfs/dbraw/zinc/51/50/96/570515096.db2.gz OVMDPYIXMSMRPS-UHFFFAOYSA-N 1 0 379.504 4.091 50 0 GIAARO COc1cc(C[NH2+]C[C@H](C)c2cccc(Br)c2)cc(OC)c1OC ZINC000084640046 570516189 /nfs/dbraw/zinc/51/61/89/570516189.db2.gz NBWGKSJLTOWREJ-ZDUSSCGKSA-N 1 0 394.309 4.368 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008326392 570528118 /nfs/dbraw/zinc/52/81/18/570528118.db2.gz JGCKATPDPCYDGM-INIZCTEOSA-N 1 0 384.303 4.442 50 0 GIAARO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008327033 570528468 /nfs/dbraw/zinc/52/84/68/570528468.db2.gz RTRWCOVLLKTPBU-QGZVFWFLSA-N 1 0 381.875 4.317 50 0 GIAARO C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC(Sc2ccccn2)CC1 ZINC000072308941 570529313 /nfs/dbraw/zinc/52/93/13/570529313.db2.gz GARFVTABUZVQJM-CQSZACIVSA-N 1 0 398.557 4.275 50 0 GIAARO CCCCSc1nc2sc3c(c2c(NCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000005252415 570529507 /nfs/dbraw/zinc/52/95/07/570529507.db2.gz QBKNVGTYGICADO-UHFFFAOYSA-N 1 0 394.610 4.408 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2CSC)[NH+](C)C)cc1 ZINC000032960868 570531340 /nfs/dbraw/zinc/53/13/40/570531340.db2.gz XIXPMZIAYVOGPL-LJQANCHMSA-N 1 0 398.528 4.337 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102157 570538927 /nfs/dbraw/zinc/53/89/27/570538927.db2.gz CKPTYSUCFGIZBL-XMMPIXPASA-N 1 0 391.511 4.275 50 0 GIAARO COc1ccccc1CN(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036102917 570539690 /nfs/dbraw/zinc/53/96/90/570539690.db2.gz DQKTXCBCCHFKDL-QFIPXVFZSA-N 1 0 395.474 4.276 50 0 GIAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102509 570539750 /nfs/dbraw/zinc/53/97/50/570539750.db2.gz MJASHCIAWIVVMW-XMMPIXPASA-N 1 0 379.475 4.406 50 0 GIAARO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102575 570539779 /nfs/dbraw/zinc/53/97/79/570539779.db2.gz HQXPEUZDCQTYLY-QFIPXVFZSA-N 1 0 393.458 4.160 50 0 GIAARO Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036104674 570541524 /nfs/dbraw/zinc/54/15/24/570541524.db2.gz ZVOCTUWJGPYWJJ-JOCHJYFZSA-N 1 0 383.463 4.307 50 0 GIAARO C[C@@H]([NH2+]CCCN(Cc1ccccc1)Cc1ccccc1)C(C)(C)n1cncn1 ZINC000225409395 570570829 /nfs/dbraw/zinc/57/08/29/570570829.db2.gz QARTVKVHKBMBLR-OAQYLSRUSA-N 1 0 391.563 4.084 50 0 GIAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCC[C@H](CCCO)C3)ccc2c1 ZINC000011663376 570577953 /nfs/dbraw/zinc/57/79/53/570577953.db2.gz MCYUADPBXVEUKP-QGZVFWFLSA-N 1 0 379.504 4.223 50 0 GIAARO Fc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)c1 ZINC000011663204 570577992 /nfs/dbraw/zinc/57/79/92/570577992.db2.gz OSEMTYKQCMJFNG-LJQANCHMSA-N 1 0 394.450 4.021 50 0 GIAARO CC[N@@H+](Cc1ccc2nonc2c1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011814325 570583472 /nfs/dbraw/zinc/58/34/72/570583472.db2.gz HLPQRSGCGVFLHW-FQEVSTJZSA-N 1 0 396.510 4.139 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)/C=C/c2cccs2)C1 ZINC000011842007 570586742 /nfs/dbraw/zinc/58/67/42/570586742.db2.gz WBZHUFZVGIAKOY-SGWGQVFISA-N 1 0 382.573 4.483 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cccc(N(C)C)c2)C1 ZINC000011937109 570594652 /nfs/dbraw/zinc/59/46/52/570594652.db2.gz ADAGLVCGDWXQJB-OAQYLSRUSA-N 1 0 393.575 4.088 50 0 GIAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)c(OC)c2)oc1C ZINC000011946631 570595165 /nfs/dbraw/zinc/59/51/65/570595165.db2.gz WKGYWPGODHHFRK-MRXNPFEDSA-N 1 0 390.455 4.105 50 0 GIAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)c(OC)c2)oc1C ZINC000011946628 570595421 /nfs/dbraw/zinc/59/54/21/570595421.db2.gz WKGYWPGODHHFRK-INIZCTEOSA-N 1 0 390.455 4.105 50 0 GIAARO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3-c3ccco3)CC2)O1 ZINC000011964657 570596224 /nfs/dbraw/zinc/59/62/24/570596224.db2.gz VZYYNKLRNVPGRO-HXUWFJFHSA-N 1 0 396.531 4.232 50 0 GIAARO CC[C@@H](C)[NH2+]C1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000011963923 570596229 /nfs/dbraw/zinc/59/62/29/570596229.db2.gz VEXNOQMRDHDJPN-QGZVFWFLSA-N 1 0 381.520 4.304 50 0 GIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1C2CC3CC(C2)CC1C3 ZINC000011979992 570596941 /nfs/dbraw/zinc/59/69/41/570596941.db2.gz OQVYXWDWKJTKCN-BWDFVOPUSA-N 1 0 384.539 4.369 50 0 GIAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000012002184 570597876 /nfs/dbraw/zinc/59/78/76/570597876.db2.gz YKWVBYFHEIBXRE-ICSRJNTNSA-N 1 0 384.568 4.497 50 0 GIAARO CCOc1cc(CNCCC[NH2+]C)ccc1OCc1c(F)cccc1Cl ZINC000040720244 570604487 /nfs/dbraw/zinc/60/44/87/570604487.db2.gz JPWHAFNJKNNHIO-UHFFFAOYSA-N 1 0 380.891 4.156 50 0 GIAARO COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720569 570605469 /nfs/dbraw/zinc/60/54/69/570605469.db2.gz FBASMBIMTUCEBB-UHFFFAOYSA-N 1 0 376.928 4.277 50 0 GIAARO CCc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)cc1 ZINC000012098460 570608114 /nfs/dbraw/zinc/60/81/14/570608114.db2.gz FGITZRFOBNECPN-QHCPKHFHSA-N 1 0 392.543 4.193 50 0 GIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(C)o3)C2)c1 ZINC000012093321 570608229 /nfs/dbraw/zinc/60/82/29/570608229.db2.gz FUQFYWLVRDDPCJ-KRWDZBQOSA-N 1 0 388.483 4.044 50 0 GIAARO COc1ccc(C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000040733123 570609381 /nfs/dbraw/zinc/60/93/81/570609381.db2.gz QASTVEUGXSFFNQ-UHFFFAOYSA-N 1 0 390.483 4.311 50 0 GIAARO CCc1nc2sc3c(c2c(N2CC[NH+](Cc4ccccc4)CC2)n1)CCC3 ZINC000041090223 570614929 /nfs/dbraw/zinc/61/49/29/570614929.db2.gz VNUKKHHJAZPRHU-UHFFFAOYSA-N 1 0 378.545 4.065 50 0 GIAARO Cc1ccoc1C(=O)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012201583 570624455 /nfs/dbraw/zinc/62/44/55/570624455.db2.gz QFHHQQUFCDIIRM-QGZVFWFLSA-N 1 0 388.458 4.241 50 0 GIAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2Cl)oc1C ZINC000012201351 570624599 /nfs/dbraw/zinc/62/45/99/570624599.db2.gz BXVFVRRMOANKEW-INIZCTEOSA-N 1 0 375.900 4.184 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl ZINC000036341049 570625319 /nfs/dbraw/zinc/62/53/19/570625319.db2.gz HVYJNVLLMHGEIT-OAQYLSRUSA-N 1 0 399.922 4.368 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1cc(C)ccc1C ZINC000036344581 570626425 /nfs/dbraw/zinc/62/64/25/570626425.db2.gz WAUBGGQLOZOEHK-HSZRJFAPSA-N 1 0 393.531 4.332 50 0 GIAARO C[C@H](C[NH2+]C1CCN(c2cccc(NC(=O)C3CC3)c2)CC1)c1ccccc1 ZINC000012213031 570627245 /nfs/dbraw/zinc/62/72/45/570627245.db2.gz YJJCRJHTFVHGQJ-GOSISDBHSA-N 1 0 377.532 4.397 50 0 GIAARO O=C(NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)C1=CCCCC1 ZINC000012217403 570627291 /nfs/dbraw/zinc/62/72/91/570627291.db2.gz DWPQRXJLRIRZPB-QHCPKHFHSA-N 1 0 376.500 4.239 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000036345199 570627609 /nfs/dbraw/zinc/62/76/09/570627609.db2.gz VJJMWQOGIZXVOQ-VGSWGCGISA-N 1 0 379.479 4.378 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccncc4)C3)C2)cc1 ZINC000012298791 570634785 /nfs/dbraw/zinc/63/47/85/570634785.db2.gz JBULZYVHZVMSMT-DEOSSOPVSA-N 1 0 377.532 4.333 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccc(Cl)s2)CC1)NCc1cccnc1 ZINC000012302129 570636523 /nfs/dbraw/zinc/63/65/23/570636523.db2.gz NATOVJJNYQHPSP-UHFFFAOYSA-N 1 0 377.941 4.105 50 0 GIAARO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012304022 570637481 /nfs/dbraw/zinc/63/74/81/570637481.db2.gz UVUVGMMPAJTZCS-MRXNPFEDSA-N 1 0 387.911 4.375 50 0 GIAARO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000036379474 570648512 /nfs/dbraw/zinc/64/85/12/570648512.db2.gz SPRHKIJSYCZQDV-GGAORHGYSA-N 1 0 390.483 4.007 50 0 GIAARO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000036379472 570648525 /nfs/dbraw/zinc/64/85/25/570648525.db2.gz SPRHKIJSYCZQDV-FYYLOGMGSA-N 1 0 390.483 4.007 50 0 GIAARO CCOc1ccccc1C[NH+]1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012386125 570650980 /nfs/dbraw/zinc/65/09/80/570650980.db2.gz FSNJVUGMXKORKH-UHFFFAOYSA-N 1 0 392.499 4.310 50 0 GIAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012442890 570665180 /nfs/dbraw/zinc/66/51/80/570665180.db2.gz LKBCGTZWCQSXQF-GOSISDBHSA-N 1 0 387.907 4.114 50 0 GIAARO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NC3CCCCCC3)CC1)cn2C ZINC000065060025 570668068 /nfs/dbraw/zinc/66/80/68/570668068.db2.gz ZSXXZJPCSAIOCT-UHFFFAOYSA-N 1 0 397.563 4.238 50 0 GIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000012454438 570668584 /nfs/dbraw/zinc/66/85/84/570668584.db2.gz SRBMAPUHHXRLOA-FQEVSTJZSA-N 1 0 396.531 4.012 50 0 GIAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)CC1 ZINC000012457577 570669565 /nfs/dbraw/zinc/66/95/65/570669565.db2.gz YPHUBUDQALAAQN-KRWDZBQOSA-N 1 0 382.470 4.361 50 0 GIAARO CCn1nc(C(=O)N(CCC[NH+](C)C)c2nc3cc(C)cc(C)c3s2)cc1C ZINC000013703039 570670148 /nfs/dbraw/zinc/67/01/48/570670148.db2.gz YOMZXNYBENRZKQ-UHFFFAOYSA-N 1 0 399.564 4.036 50 0 GIAARO COc1cccc(COC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000060350563 570672470 /nfs/dbraw/zinc/67/24/70/570672470.db2.gz BNZJLDUSPUECSN-HXUWFJFHSA-N 1 0 393.405 4.193 50 0 GIAARO CC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)s1 ZINC000012473514 570673257 /nfs/dbraw/zinc/67/32/57/570673257.db2.gz QXXLDKYLYXYEMO-QHCPKHFHSA-N 1 0 396.556 4.122 50 0 GIAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000012571546 570680963 /nfs/dbraw/zinc/68/09/63/570680963.db2.gz OAILSHYOMDABKQ-INIZCTEOSA-N 1 0 396.466 4.301 50 0 GIAARO c1cn(CCCCOc2ccccc2C[N@@H+]2CCC[C@@H]2c2ccccn2)cn1 ZINC000055108525 570683601 /nfs/dbraw/zinc/68/36/01/570683601.db2.gz BKGPERSHHRGXKF-JOCHJYFZSA-N 1 0 376.504 4.474 50 0 GIAARO COc1ccc2c(c1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000242273686 570688564 /nfs/dbraw/zinc/68/85/64/570688564.db2.gz YEZJGXSYVWUQJH-IBGZPJMESA-N 1 0 393.531 4.170 50 0 GIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1C ZINC000012704869 570700111 /nfs/dbraw/zinc/70/01/11/570700111.db2.gz AFCXMGHLZMFEHL-IBGZPJMESA-N 1 0 383.536 4.240 50 0 GIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](CC3CCCC3)C2)c(OC)c1 ZINC000012711587 570702515 /nfs/dbraw/zinc/70/25/15/570702515.db2.gz DHRRLCSSRIVDNT-IBGZPJMESA-N 1 0 388.552 4.002 50 0 GIAARO COc1cccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1OC ZINC000012714832 570703743 /nfs/dbraw/zinc/70/37/43/570703743.db2.gz GLIRBINGVNZWBO-CYBMUJFWSA-N 1 0 387.430 4.327 50 0 GIAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000012714228 570703866 /nfs/dbraw/zinc/70/38/66/570703866.db2.gz IVVAWYKUESWIAH-XMMPIXPASA-N 1 0 397.515 4.179 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+](C)[C@H]1CCOC1 ZINC000012716673 570704753 /nfs/dbraw/zinc/70/47/53/570704753.db2.gz NRPVBZIIESAZJD-SFHVURJKSA-N 1 0 383.442 4.347 50 0 GIAARO COc1ccc(-c2nnc(-c3cccnc3NCC[NH+]3CCCCCC3)o2)cc1 ZINC000065117744 570705043 /nfs/dbraw/zinc/70/50/43/570705043.db2.gz PAMAPEXAHSVFML-UHFFFAOYSA-N 1 0 393.491 4.095 50 0 GIAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc4ccccc43)C2)o1 ZINC000012717846 570705319 /nfs/dbraw/zinc/70/53/19/570705319.db2.gz ROTWNNZCWLFYKD-SFHVURJKSA-N 1 0 392.499 4.221 50 0 GIAARO Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1NC(=O)c1ccccc1 ZINC000057987029 570705363 /nfs/dbraw/zinc/70/53/63/570705363.db2.gz ZECCVLBDFSANTC-UHFFFAOYSA-N 1 0 393.531 4.242 50 0 GIAARO CC(C)CC(=O)Nc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000058308540 570726060 /nfs/dbraw/zinc/72/60/60/570726060.db2.gz NXWOBENOVSMSSR-KRWDZBQOSA-N 1 0 388.556 4.303 50 0 GIAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000058390508 570730324 /nfs/dbraw/zinc/73/03/24/570730324.db2.gz VNHSRKNQIICTKU-UHFFFAOYSA-N 1 0 398.526 4.029 50 0 GIAARO O=C(CCc1conc1-c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065213295 570733857 /nfs/dbraw/zinc/73/38/57/570733857.db2.gz CAENFRDNLAWJGZ-UHFFFAOYSA-N 1 0 389.499 4.055 50 0 GIAARO Cc1ccc(-n2ncc(C(=O)Nc3ccccc3F)c2C2CC[NH2+]CC2)cc1C ZINC000007000345 570734433 /nfs/dbraw/zinc/73/44/33/570734433.db2.gz UFKSPVHSHXHUII-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000065256979 570755521 /nfs/dbraw/zinc/75/55/21/570755521.db2.gz BSGMNHOPDPXFHG-JOCHJYFZSA-N 1 0 386.499 4.011 50 0 GIAARO Cc1c2ccccc2sc1[C@@H]1CC(=O)Nc2c1cnn2C1CC[NH+](C)CC1 ZINC000065376683 570763002 /nfs/dbraw/zinc/76/30/02/570763002.db2.gz AAFDDYPDUJNWJB-MRXNPFEDSA-N 1 0 380.517 4.147 50 0 GIAARO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(-n2ccnc2)cc1 ZINC000007050216 570764848 /nfs/dbraw/zinc/76/48/48/570764848.db2.gz FNXIIEACBBJIDB-GFCCVEGCSA-N 1 0 396.299 4.219 50 0 GIAARO COc1ccc([C@H]2CC(c3ccccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)cc1 ZINC000065298538 570787566 /nfs/dbraw/zinc/78/75/66/570787566.db2.gz AJZXUUVMBFKYFL-OAQYLSRUSA-N 1 0 393.531 4.125 50 0 GIAARO CCc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000032733297 570787981 /nfs/dbraw/zinc/78/79/81/570787981.db2.gz SWTHASXYVUHMGU-OAQYLSRUSA-N 1 0 398.572 4.353 50 0 GIAARO CCOCCC[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000010474681 570790917 /nfs/dbraw/zinc/79/09/17/570790917.db2.gz PIUVOXWCSBLWBF-UHFFFAOYSA-N 1 0 395.135 4.127 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)Nc3cccs3)cc12 ZINC000036709090 570798072 /nfs/dbraw/zinc/79/80/72/570798072.db2.gz UTICXEMSFADCDY-UHFFFAOYSA-N 1 0 381.505 4.001 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Br ZINC000012985993 570817931 /nfs/dbraw/zinc/81/79/31/570817931.db2.gz RKMYZRZMZCZKJB-UHFFFAOYSA-N 1 0 387.321 4.365 50 0 GIAARO Cc1ccc(Oc2ccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)cn2)cc1C ZINC000101658400 570828614 /nfs/dbraw/zinc/82/86/14/570828614.db2.gz LDJTYARNHNEERY-UHFFFAOYSA-N 1 0 392.503 4.359 50 0 GIAARO CC[N@@H+]1CCC[C@H]1CNc1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000003413040 570865286 /nfs/dbraw/zinc/86/52/86/570865286.db2.gz GBXWRYISCNUCOW-HNNXBMFYSA-N 1 0 379.533 4.138 50 0 GIAARO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(c2ccncc2)CC1 ZINC000170613603 570871729 /nfs/dbraw/zinc/87/17/29/570871729.db2.gz YWIKWEDVHIQVNH-CQSZACIVSA-N 1 0 388.309 4.051 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCC3)[NH+]2CCCCC2)cc1 ZINC000012594106 570884270 /nfs/dbraw/zinc/88/42/70/570884270.db2.gz VPZWIFKFXUJLOI-IBGZPJMESA-N 1 0 384.545 4.202 50 0 GIAARO Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc1F ZINC000003852240 570884654 /nfs/dbraw/zinc/88/46/54/570884654.db2.gz PDMPPQHCRIKPJB-UHFFFAOYSA-N 1 0 391.446 4.311 50 0 GIAARO C[N@H+](CCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)Cc1ccccc1 ZINC000033267183 570887704 /nfs/dbraw/zinc/88/77/04/570887704.db2.gz LLXLDHHVJNXRQR-UHFFFAOYSA-N 1 0 396.494 4.159 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2coc3cc(OC)ccc23)cc1 ZINC000016780337 570910058 /nfs/dbraw/zinc/91/00/58/570910058.db2.gz PUMRUCXNUSLMNZ-UHFFFAOYSA-N 1 0 380.488 4.142 50 0 GIAARO Fc1ccc(Oc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1Cl ZINC000037357461 570927515 /nfs/dbraw/zinc/92/75/15/570927515.db2.gz OHSVRDKURGGWJO-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO CCN(C(=O)c1cc2ccc(OC)cc2[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000105780114 570932731 /nfs/dbraw/zinc/93/27/31/570932731.db2.gz ZSOIKDLXWXGAML-XLIONFOSSA-N 1 0 391.515 4.474 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](CCCCOc2ccc(I)cc2)C1 ZINC000002822282 570933236 /nfs/dbraw/zinc/93/32/36/570933236.db2.gz AYENYAAILQYWOI-GJZGRUSLSA-N 1 0 387.305 4.428 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(Br)ccc1Cl ZINC000046989223 570937891 /nfs/dbraw/zinc/93/78/91/570937891.db2.gz JQYYERWDVIUENK-ZDUSSCGKSA-N 1 0 387.749 4.487 50 0 GIAARO FC(F)(F)Oc1cc(Br)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000225581939 570943357 /nfs/dbraw/zinc/94/33/57/570943357.db2.gz MVYMVCBIMUIPRH-VXGBXAGGSA-N 1 0 379.220 4.386 50 0 GIAARO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1OCC ZINC000106135292 570948921 /nfs/dbraw/zinc/94/89/21/570948921.db2.gz OYVAROHDNMCWHT-XLIONFOSSA-N 1 0 382.504 4.049 50 0 GIAARO CCCOc1ccc(CN(CCC[NH+](C)C)C(=O)c2cccs2)cc1OC ZINC000060632259 570951977 /nfs/dbraw/zinc/95/19/77/570951977.db2.gz UQPGNIJGBKISGU-UHFFFAOYSA-N 1 0 390.549 4.140 50 0 GIAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000001281055 570953828 /nfs/dbraw/zinc/95/38/28/570953828.db2.gz QDINBRCYNUCMQI-XMMPIXPASA-N 1 0 383.499 4.178 50 0 GIAARO COC[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000083847546 570968528 /nfs/dbraw/zinc/96/85/28/570968528.db2.gz IYZIOKSHPGJMLL-LJQANCHMSA-N 1 0 394.437 4.227 50 0 GIAARO CN1CC[C@@H](NC(=O)Cc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000107541949 570974635 /nfs/dbraw/zinc/97/46/35/570974635.db2.gz IJHLXQBYWPNKRV-IEBWSBKVSA-N 1 0 381.278 4.237 50 0 GIAARO CC1(C)[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000108390251 570987729 /nfs/dbraw/zinc/98/77/29/570987729.db2.gz NQTRESXYLUTSBX-YPAWHYETSA-N 1 0 378.516 4.476 50 0 GIAARO Cn1cc([C@@H](CNC(=O)c2ccccc2C(F)(F)F)[NH+](C)C)c2ccccc21 ZINC000023239912 570991113 /nfs/dbraw/zinc/99/11/13/570991113.db2.gz BWTOYIDPQFNCOL-LJQANCHMSA-N 1 0 389.421 4.230 50 0 GIAARO Cc1nc(-c2cccc(F)c2)sc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252570418 570995844 /nfs/dbraw/zinc/99/58/44/570995844.db2.gz WSIKHYPDAXUZNE-AEFFLSMTSA-N 1 0 387.524 4.252 50 0 GIAARO COc1cccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[NH+](C)C)c1 ZINC000007684555 571015772 /nfs/dbraw/zinc/01/57/72/571015772.db2.gz KHQUKZBDLIQFNW-QHCPKHFHSA-N 1 0 388.511 4.246 50 0 GIAARO O=C(Cc1c(Cl)cccc1Cl)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000007686665 571016121 /nfs/dbraw/zinc/01/61/21/571016121.db2.gz GMONZUXIAPBIPZ-LJQANCHMSA-N 1 0 377.315 4.489 50 0 GIAARO C[NH+](C)CCNC(=O)c1cc2sccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000037526566 571026319 /nfs/dbraw/zinc/02/63/19/571026319.db2.gz OWAFYHLVKYNMQD-UHFFFAOYSA-N 1 0 383.561 4.340 50 0 GIAARO Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CC[NH+](CC(C)C)CC2)n1 ZINC000037554094 571030439 /nfs/dbraw/zinc/03/04/39/571030439.db2.gz YQRNTRLCOZTRBO-UHFFFAOYSA-N 1 0 383.511 4.295 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 ZINC000001300849 817376443 /nfs/dbraw/zinc/37/64/43/817376443.db2.gz GJSIOAPYXAYQNJ-LJQANCHMSA-N 1 0 397.906 4.314 50 0 GIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)cc1Cl ZINC000003049949 817415571 /nfs/dbraw/zinc/41/55/71/817415571.db2.gz MBLHZPJWTCPTFA-HNNXBMFYSA-N 1 0 376.957 4.365 50 0 GIAARO COc1ccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000003058561 817416978 /nfs/dbraw/zinc/41/69/78/817416978.db2.gz IUGRQQIVGOKHBN-JXFKEZNVSA-N 1 0 375.582 4.367 50 0 GIAARO O[C@@H](C[NH2+]CCc1ccc(C(F)(F)F)cc1)COc1ccc2ccccc2c1 ZINC000003360644 817442610 /nfs/dbraw/zinc/44/26/10/817442610.db2.gz ZVBOWQHDIGYEQB-FQEVSTJZSA-N 1 0 389.417 4.431 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+]2CCCC2)cc1 ZINC000003534367 817480567 /nfs/dbraw/zinc/48/05/67/817480567.db2.gz HRKGGEMIEGRECN-LJQANCHMSA-N 1 0 394.849 4.194 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 ZINC000007988499 817976991 /nfs/dbraw/zinc/97/69/91/817976991.db2.gz TUGKIKQCZNTMFZ-IBGZPJMESA-N 1 0 393.512 4.033 50 0 GIAARO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008150742 818007804 /nfs/dbraw/zinc/00/78/04/818007804.db2.gz UTUASHKNRICHSN-PZJWPPBQSA-N 1 0 397.515 4.158 50 0 GIAARO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)NCc1ccc2c(c1)OCO2 ZINC000008166083 818010020 /nfs/dbraw/zinc/01/00/20/818010020.db2.gz IBFLTTUUEQEMAW-UHFFFAOYSA-N 1 0 398.478 4.006 50 0 GIAARO CCC[NH+]1CCC(N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000011662999 818106678 /nfs/dbraw/zinc/10/66/78/818106678.db2.gz FYVJTLWNCWLZCQ-OAQYLSRUSA-N 1 0 384.543 4.489 50 0 GIAARO COc1ccc2c(C)nc(N3CCC([NH2+][C@@H](C)Cc4ccsc4)CC3)nc2c1 ZINC000011870603 818125720 /nfs/dbraw/zinc/12/57/20/818125720.db2.gz CAPIJDTXYPPHBZ-HNNXBMFYSA-N 1 0 396.560 4.198 50 0 GIAARO CN(C)c1ncc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)s1 ZINC000011878640 818127100 /nfs/dbraw/zinc/12/71/00/818127100.db2.gz HKBJDQAGFYDKLZ-GOSISDBHSA-N 1 0 399.539 4.337 50 0 GIAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000011955075 818132241 /nfs/dbraw/zinc/13/22/41/818132241.db2.gz KAUKPKBUNFOVMC-DEOSSOPVSA-N 1 0 393.506 4.137 50 0 GIAARO COC[C@H](C)[NH2+]Cc1cc2cc(C)ccc2n(Cc2ccccc2Cl)c1=O ZINC000012199010 818145890 /nfs/dbraw/zinc/14/58/90/818145890.db2.gz IHJUUZYFQUVYEK-INIZCTEOSA-N 1 0 384.907 4.136 50 0 GIAARO Cc1ocnc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012197061 818146294 /nfs/dbraw/zinc/14/62/94/818146294.db2.gz GTFDWNOEZGWZQV-QHCPKHFHSA-N 1 0 381.520 4.235 50 0 GIAARO Cn1cc(C[N@H+](C)C2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012203516 818146680 /nfs/dbraw/zinc/14/66/80/818146680.db2.gz IBJNLEIRFYESBI-UHFFFAOYSA-N 1 0 377.488 4.490 50 0 GIAARO Cc1c[nH]c(CC[NH2+]Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)n1 ZINC000012317642 818154318 /nfs/dbraw/zinc/15/43/18/818154318.db2.gz HPCNPINQJCPDCV-UHFFFAOYSA-N 1 0 389.478 4.351 50 0 GIAARO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)oc1C ZINC000012386628 818156596 /nfs/dbraw/zinc/15/65/96/818156596.db2.gz VTDBSNMGONFJAO-UHFFFAOYSA-N 1 0 396.466 4.321 50 0 GIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012443276 818160247 /nfs/dbraw/zinc/16/02/47/818160247.db2.gz IJVDHCMNOXRKQS-DEOSSOPVSA-N 1 0 375.516 4.080 50 0 GIAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3s2)CC1)NC[C@@H]1CCCO1 ZINC000012584942 818168667 /nfs/dbraw/zinc/16/86/67/818168667.db2.gz YMBKGIKPWBNHIA-IBGZPJMESA-N 1 0 386.561 4.189 50 0 GIAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCCCC1 ZINC000012710814 818176894 /nfs/dbraw/zinc/17/68/94/818176894.db2.gz WSKAUYKEUJTAKX-UHFFFAOYSA-N 1 0 392.543 4.399 50 0 GIAARO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 ZINC000012751617 818180489 /nfs/dbraw/zinc/18/04/89/818180489.db2.gz HVHPKCZQCZMWQS-UHFFFAOYSA-N 1 0 380.536 4.411 50 0 GIAARO COc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1C[NH+](C)C ZINC000014992275 818280516 /nfs/dbraw/zinc/28/05/16/818280516.db2.gz MNLMNHZPPCPUQN-UHFFFAOYSA-N 1 0 390.483 4.441 50 0 GIAARO COCCC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000015063545 818287032 /nfs/dbraw/zinc/28/70/32/818287032.db2.gz GFLFETGJEYEFDD-UHFFFAOYSA-N 1 0 386.580 4.057 50 0 GIAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)c1 ZINC000015078325 818288349 /nfs/dbraw/zinc/28/83/49/818288349.db2.gz DEYGXKYVGMOGQL-VWLOTQADSA-N 1 0 389.543 4.388 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)CCc3ccccc3)cc2C)CC1 ZINC000057866400 823343067 /nfs/dbraw/zinc/34/30/67/823343067.db2.gz MUNUBRCTTZCTRL-FQEVSTJZSA-N 1 0 394.563 4.280 50 0 GIAARO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000019741904 818604013 /nfs/dbraw/zinc/60/40/13/818604013.db2.gz IPALFRPMCBMPSZ-AWEZNQCLSA-N 1 0 397.425 4.463 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934119 818756777 /nfs/dbraw/zinc/75/67/77/818756777.db2.gz SXOZNFRCUUGHGR-GOSISDBHSA-N 1 0 388.515 4.291 50 0 GIAARO C[C@@H]1CCCN(C(=O)CC[N@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)C1 ZINC000023144508 818903815 /nfs/dbraw/zinc/90/38/15/818903815.db2.gz WOCICRNEBKPSHM-JPYJTQIMSA-N 1 0 396.506 4.410 50 0 GIAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CN1Cc1cccc(Cl)c1 ZINC000023360734 818927754 /nfs/dbraw/zinc/92/77/54/818927754.db2.gz YQSBSXHEFZCAHP-SFTDATJTSA-N 1 0 391.987 4.120 50 0 GIAARO Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1 ZINC000023373577 818928986 /nfs/dbraw/zinc/92/89/86/818928986.db2.gz PWLXIEVAKOISEO-JOCHJYFZSA-N 1 0 387.930 4.266 50 0 GIAARO O=C(NCCOc1cccnc1)c1ccc([C@@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC000023540850 818957323 /nfs/dbraw/zinc/95/73/23/818957323.db2.gz IODZRDGMVILULJ-SFHVURJKSA-N 1 0 385.533 4.031 50 0 GIAARO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177715214 823515919 /nfs/dbraw/zinc/51/59/19/823515919.db2.gz RHQFXIHJKLEZHC-ZDUSSCGKSA-N 1 0 387.446 4.208 50 0 GIAARO COc1cc(C[NH2+]CCCc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000038478227 821096469 /nfs/dbraw/zinc/09/64/69/821096469.db2.gz SCRFURNYKRHJEA-UHFFFAOYSA-N 1 0 383.410 4.454 50 0 GIAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000039749696 821121488 /nfs/dbraw/zinc/12/14/88/821121488.db2.gz RZKKUBHQJYPWJT-UHFFFAOYSA-N 1 0 376.544 4.380 50 0 GIAARO COCc1ccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000040142752 821147947 /nfs/dbraw/zinc/14/79/47/821147947.db2.gz QQDLLQKWOLUEPM-QFIPXVFZSA-N 1 0 380.532 4.036 50 0 GIAARO Cc1cccc(-c2ncc(C[NH2+][C@H]3CCCc4c3cnn4-c3ccccn3)cn2)c1 ZINC000055284299 822949332 /nfs/dbraw/zinc/94/93/32/822949332.db2.gz JIZGXPKQCXMKLA-NRFANRHFSA-N 1 0 396.498 4.200 50 0 GIAARO Cc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055327528 822952501 /nfs/dbraw/zinc/95/25/01/822952501.db2.gz KUVWVDKCTQPSEB-OAQYLSRUSA-N 1 0 397.950 4.075 50 0 GIAARO Cc1c(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)sc2cccc(F)c12 ZINC000190612677 823591566 /nfs/dbraw/zinc/59/15/66/823591566.db2.gz QSHPAZRDWMBJDV-QGZVFWFLSA-N 1 0 397.519 4.338 50 0 GIAARO O=C(c1ccccc1OC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCCC1 ZINC000169776576 823915598 /nfs/dbraw/zinc/91/55/98/823915598.db2.gz LDXCTWHQWWXNPA-SFHVURJKSA-N 1 0 384.545 4.275 50 0 GIAARO COCCn1c(C)cnc1C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000575317150 823953226 /nfs/dbraw/zinc/95/32/26/823953226.db2.gz CBORPPHIQDLEBG-GOSISDBHSA-N 1 0 395.469 4.311 50 0 GIAARO Cc1c[nH+]c(CC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)n1CC1CC1 ZINC000575317557 823953649 /nfs/dbraw/zinc/95/36/49/823953649.db2.gz NNVSWXRGWVWWGT-UHFFFAOYSA-N 1 0 376.504 4.178 50 0 GIAARO CCOc1ccccc1C[NH+]1CCC2(CC1)[C@H](OC)CN2c1cccc(F)c1 ZINC000575552959 823976815 /nfs/dbraw/zinc/97/68/15/823976815.db2.gz MEGKBDSXEAJTBS-JOCHJYFZSA-N 1 0 384.495 4.094 50 0 GIAARO Cc1ccc(-c2nc(CC(=O)NCCC[N@@H+](C)Cc3ccccc3)cs2)cc1 ZINC000018232723 210218093 /nfs/dbraw/zinc/21/80/93/210218093.db2.gz VOEAXRVHOHNOKH-UHFFFAOYSA-N 1 0 393.556 4.299 50 0 GIAARO Cc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(C)n1-c1ccnn1C(C)C ZINC000017311858 210209987 /nfs/dbraw/zinc/20/99/87/210209987.db2.gz WNJXPSWKZGFXSZ-KRWDZBQOSA-N 1 0 394.519 4.494 50 0 GIAARO COc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC000016607027 210190484 /nfs/dbraw/zinc/19/04/84/210190484.db2.gz NEQPZQFVEVNTQB-UHFFFAOYSA-N 1 0 388.895 4.208 50 0 GIAARO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)NCc2cccs2)s1 ZINC000016397189 210189190 /nfs/dbraw/zinc/18/91/90/210189190.db2.gz NWNUVVSULZQOPF-UHFFFAOYSA-N 1 0 384.570 4.479 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860312 210174592 /nfs/dbraw/zinc/17/45/92/210174592.db2.gz NMXUWIDIMJTUAI-OAQYLSRUSA-N 1 0 384.520 4.173 50 0 GIAARO C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(C[NH+](C)C)cc4)cc3c2C1 ZINC000015140533 210154344 /nfs/dbraw/zinc/15/43/44/210154344.db2.gz AQNWSKIYNIHNHF-MRXNPFEDSA-N 1 0 375.516 4.284 50 0 GIAARO Cc1c(C[NH2+]Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)cnn1C ZINC000015073135 210149637 /nfs/dbraw/zinc/14/96/37/210149637.db2.gz NAFYKVZVAMWGBP-UHFFFAOYSA-N 1 0 385.515 4.488 50 0 GIAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000015076247 210149397 /nfs/dbraw/zinc/14/93/97/210149397.db2.gz BNBIJSOBZIQMAX-INIZCTEOSA-N 1 0 387.911 4.138 50 0 GIAARO C[NH+]1CCC2(CCN(C(=O)C[C@H](c3ccccc3)c3ccc(F)cc3)C2)CC1 ZINC000426477964 530051314 /nfs/dbraw/zinc/05/13/14/530051314.db2.gz GQZSIDAHPZOUJC-JOCHJYFZSA-N 1 0 380.507 4.292 50 0 GIAARO COCCOC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)CC1 ZINC000015062251 210146073 /nfs/dbraw/zinc/14/60/73/210146073.db2.gz XTJIJARKAAVWTA-UHFFFAOYSA-N 1 0 398.425 4.296 50 0 GIAARO COc1ccc(-n2cc(C[NH2+]C[C@H]3CCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000015064473 210145052 /nfs/dbraw/zinc/14/50/52/210145052.db2.gz IHZOHPYPYKKNQD-LJQANCHMSA-N 1 0 397.906 4.470 50 0 GIAARO CCN1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000015065295 210144551 /nfs/dbraw/zinc/14/45/51/210144551.db2.gz IRZBXVLLMGKHFG-NRFANRHFSA-N 1 0 380.532 4.227 50 0 GIAARO Cc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)nc1C ZINC000015062906 210144663 /nfs/dbraw/zinc/14/46/63/210144663.db2.gz WZMMMDQZBLASAD-HSZRJFAPSA-N 1 0 382.527 4.029 50 0 GIAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981487 210139212 /nfs/dbraw/zinc/13/92/12/210139212.db2.gz MKRQXDJUTDXHHF-HSZRJFAPSA-N 1 0 384.520 4.093 50 0 GIAARO c1cc2cnccc2c(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000014978673 210138668 /nfs/dbraw/zinc/13/86/68/210138668.db2.gz LMNSCYQGANGAKT-HXUWFJFHSA-N 1 0 375.472 4.083 50 0 GIAARO CC(=O)c1cc(C[NH2+][C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cs1 ZINC000014974789 210138749 /nfs/dbraw/zinc/13/87/49/210138749.db2.gz SCUDUVUEJWQRRF-OAHLLOKOSA-N 1 0 383.439 4.123 50 0 GIAARO COc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1OC ZINC000014974268 210137789 /nfs/dbraw/zinc/13/77/89/210137789.db2.gz RDXPVGPRONDETI-JOCHJYFZSA-N 1 0 396.575 4.399 50 0 GIAARO COc1ccc(CC[NH+]2CCC(CN(C)Cc3c(F)cccc3F)CC2)cc1 ZINC000014967995 210136561 /nfs/dbraw/zinc/13/65/61/210136561.db2.gz PQSBRXAMPHNEGL-UHFFFAOYSA-N 1 0 388.502 4.360 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(C)o3)C2)cc1C ZINC000014969651 210136414 /nfs/dbraw/zinc/13/64/14/210136414.db2.gz BINMVODZLYRQMC-IBGZPJMESA-N 1 0 384.520 4.214 50 0 GIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)CC1 ZINC000014964256 210136058 /nfs/dbraw/zinc/13/60/58/210136058.db2.gz PFWLKNQUMOAGNM-INIZCTEOSA-N 1 0 392.927 4.164 50 0 GIAARO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)no1 ZINC000014950458 210131408 /nfs/dbraw/zinc/13/14/08/210131408.db2.gz WSDKGHNQILZVSH-QHCPKHFHSA-N 1 0 381.520 4.235 50 0 GIAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014532908 210119379 /nfs/dbraw/zinc/11/93/79/210119379.db2.gz XQBGZCZVZBUYLL-FQEVSTJZSA-N 1 0 389.584 4.144 50 0 GIAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)c(Br)c1 ZINC000014125596 210105804 /nfs/dbraw/zinc/10/58/04/210105804.db2.gz DJONXJGUIDLXBR-CYBMUJFWSA-N 1 0 377.282 4.055 50 0 GIAARO COc1ccc(CC[NH2+][C@@H]2c3ccccc3C(=O)N2C2CCCCC2)cc1OC ZINC000013896207 210096579 /nfs/dbraw/zinc/09/65/79/210096579.db2.gz SRAXQYDHTXBAJZ-QHCPKHFHSA-N 1 0 394.515 4.323 50 0 GIAARO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccc(Cl)nc1 ZINC000013721914 210084536 /nfs/dbraw/zinc/08/45/36/210084536.db2.gz XPEWOVFQHSTCIQ-UHFFFAOYSA-N 1 0 378.900 4.227 50 0 GIAARO COCCC[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000013722665 210084561 /nfs/dbraw/zinc/08/45/61/210084561.db2.gz GDTNGUKMOCBPHM-UHFFFAOYSA-N 1 0 394.309 4.163 50 0 GIAARO O=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCCC[NH+]1CCCC1 ZINC000013369708 210058723 /nfs/dbraw/zinc/05/87/23/210058723.db2.gz RHMWTWAEQUYGGZ-UHFFFAOYSA-N 1 0 390.531 4.086 50 0 GIAARO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012994598 210042434 /nfs/dbraw/zinc/04/24/34/210042434.db2.gz UISDUBYUBJBRII-MRXNPFEDSA-N 1 0 379.529 4.181 50 0 GIAARO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000012980884 210039539 /nfs/dbraw/zinc/03/95/39/210039539.db2.gz RDCYIFOUCHMXIF-UHFFFAOYSA-N 1 0 387.549 4.033 50 0 GIAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1c(F)cccc1F ZINC000012896863 210024428 /nfs/dbraw/zinc/02/44/28/210024428.db2.gz WIRCTDHTCKRQFM-UHFFFAOYSA-N 1 0 388.414 4.077 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1cccc(F)c1 ZINC000012855756 210018193 /nfs/dbraw/zinc/01/81/93/210018193.db2.gz VTNQAKYPNQGBIH-SFHVURJKSA-N 1 0 390.549 4.337 50 0 GIAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)n1Cc1ccco1 ZINC000012816992 210015769 /nfs/dbraw/zinc/01/57/69/210015769.db2.gz GQRIPNRFGOAPRY-UHFFFAOYSA-N 1 0 391.515 4.141 50 0 GIAARO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012820869 210015466 /nfs/dbraw/zinc/01/54/66/210015466.db2.gz AQABXDJPRGQDSI-QGZVFWFLSA-N 1 0 386.923 4.197 50 0 GIAARO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000011938537 209895829 /nfs/dbraw/zinc/89/58/29/209895829.db2.gz IUQMHRARNPKIOY-OAQYLSRUSA-N 1 0 396.531 4.339 50 0 GIAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1cccc(Cl)c1 ZINC000011963117 209893471 /nfs/dbraw/zinc/89/34/71/209893471.db2.gz PKZZQUXQBVJADD-IBGZPJMESA-N 1 0 390.886 4.029 50 0 GIAARO Cc1cccc2cc(CN(CC[NH+](C)C)C(=O)C3CCCCC3)c(N(C)C)nc12 ZINC000011909094 209891483 /nfs/dbraw/zinc/89/14/83/209891483.db2.gz GFNGRCIIHRVNSW-UHFFFAOYSA-N 1 0 396.579 4.080 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(C)cc3)=NN12 ZINC000005477580 209597301 /nfs/dbraw/zinc/59/73/01/209597301.db2.gz AWBLSBZBJMZZPF-OAQYLSRUSA-N 1 0 391.515 4.359 50 0 GIAARO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1Cl ZINC000004703978 209513856 /nfs/dbraw/zinc/51/38/56/209513856.db2.gz IYNFWJDOJDGBBF-UHFFFAOYSA-N 1 0 387.911 4.133 50 0 GIAARO C[NH+](C)CCCN(C(=O)c1cccc(F)c1)c1nc2c(cccc2F)s1 ZINC000004359756 209481329 /nfs/dbraw/zinc/48/13/29/209481329.db2.gz FPFRAZIQRRFRHQ-UHFFFAOYSA-N 1 0 375.444 4.173 50 0 GIAARO Cc1ccc(Cl)cc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1cccnc1 ZINC000002934091 209399042 /nfs/dbraw/zinc/39/90/42/209399042.db2.gz YKNQZDJPYCBOEA-OAHLLOKOSA-N 1 0 376.957 4.365 50 0 GIAARO O[C@@H](C[NH2+]CCNc1cccc2ccccc21)COCc1ccc(Cl)cc1 ZINC000002631328 209372352 /nfs/dbraw/zinc/37/23/52/209372352.db2.gz RQOBEEQQMRKWKC-FQEVSTJZSA-N 1 0 384.907 4.072 50 0 GIAARO CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000002420400 209362252 /nfs/dbraw/zinc/36/22/52/209362252.db2.gz UJKCBGFILQRGNP-NRFANRHFSA-N 1 0 390.483 4.023 50 0 GIAARO COc1ccc(OC)c(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000002387272 209360302 /nfs/dbraw/zinc/36/03/02/209360302.db2.gz SXXXSTPMDGKOCH-UHFFFAOYSA-N 1 0 394.519 4.152 50 0 GIAARO CC[C@H](C(=O)Nc1ccc(C(=O)OCC[NH+](CC)CC)cc1)c1ccccc1 ZINC000002069674 209344486 /nfs/dbraw/zinc/34/44/86/209344486.db2.gz PLEZFTVKBZIPBO-NRFANRHFSA-N 1 0 382.504 4.318 50 0 GIAARO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCc1ccccc1 ZINC000001408205 209326361 /nfs/dbraw/zinc/32/63/61/209326361.db2.gz HMNPMEWDLDMFIB-NRFANRHFSA-N 1 0 399.454 4.121 50 0 GIAARO Cc1[nH+]ccc(N2CCN(C)CC2)c1Oc1ncc(C(F)(F)F)cc1Cl ZINC000001401429 209326037 /nfs/dbraw/zinc/32/60/37/209326037.db2.gz FJMACWQDKRIOGF-UHFFFAOYSA-N 1 0 386.805 4.001 50 0 GIAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000009950006 209321627 /nfs/dbraw/zinc/32/16/27/209321627.db2.gz BORAMAXCXKNKRN-UHFFFAOYSA-N 1 0 390.959 4.050 50 0 GIAARO CC(C)(C)[NH2+][C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000001170900 209310625 /nfs/dbraw/zinc/31/06/25/209310625.db2.gz MHJPTSNUUIOCHW-NHCUHLMSSA-N 1 0 380.513 4.302 50 0 GIAARO CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCC[NH+](CC)CC ZINC000000952248 209283848 /nfs/dbraw/zinc/28/38/48/209283848.db2.gz OROGFCHNNLCUAV-UHFFFAOYSA-N 1 0 384.307 4.472 50 0 GIAARO CC[NH+](CC)CCn1c2ccccc2n2c1nc(C)c2C(=O)c1cccs1 ZINC000000821037 209269688 /nfs/dbraw/zinc/26/96/88/209269688.db2.gz VKQAWTZPUYYIHD-UHFFFAOYSA-N 1 0 380.517 4.232 50 0 GIAARO CC[NH+](CC)CCNc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000000779512 209263458 /nfs/dbraw/zinc/26/34/58/209263458.db2.gz YGQXSTJWCTVMRE-UHFFFAOYSA-N 1 0 399.564 4.153 50 0 GIAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)[nH]1 ZINC000095966313 209237375 /nfs/dbraw/zinc/23/73/75/209237375.db2.gz ODBAPXXASOCMBB-QGZVFWFLSA-N 1 0 397.910 4.120 50 0 GIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc3n[nH]cc3c2)cc1 ZINC000299801014 212040731 /nfs/dbraw/zinc/04/07/31/212040731.db2.gz XUSNSZJFQHIQTN-OAQYLSRUSA-N 1 0 377.492 4.384 50 0 GIAARO COc1ccc(OC)c2nc(N3CCCC3)c(C[NH2+]CCc3ccccc3)cc12 ZINC000299787622 212037179 /nfs/dbraw/zinc/03/71/79/212037179.db2.gz PVFRQQFPAAXATP-UHFFFAOYSA-N 1 0 391.515 4.185 50 0 GIAARO Cc1cc(NC(=O)NC[C@H](c2sccc2C)[NH+](C)C)n(C2CCCC2)n1 ZINC000096165549 211315818 /nfs/dbraw/zinc/31/58/18/211315818.db2.gz RJWZIJFHZADCBM-MRXNPFEDSA-N 1 0 375.542 4.101 50 0 GIAARO Cc1cc2cc(NC(=O)NCCSCc3ccc(C[NH+](C)C)o3)ccc2o1 ZINC000096180404 211315463 /nfs/dbraw/zinc/31/54/63/211315463.db2.gz SAXJDZNPGUYUNW-UHFFFAOYSA-N 1 0 387.505 4.451 50 0 GIAARO Cc1cccc(-c2nc3ccc(NC(=O)N4CCC[N@@H+](C)C[C@H]4C)cc3o2)c1 ZINC000096147863 211309637 /nfs/dbraw/zinc/30/96/37/211309637.db2.gz HJPQGSZLNDGGBQ-MRXNPFEDSA-N 1 0 378.476 4.361 50 0 GIAARO Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)n([C@H](C)C2CC2)n1 ZINC000096131567 211305015 /nfs/dbraw/zinc/30/50/15/211305015.db2.gz PKRSGHMFGWJXLA-QGZVFWFLSA-N 1 0 381.524 4.080 50 0 GIAARO CCN(Cc1noc(C)n1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000096137458 211306953 /nfs/dbraw/zinc/30/69/53/211306953.db2.gz BBTYBHIODUGOIN-UHFFFAOYSA-N 1 0 385.512 4.197 50 0 GIAARO Cc1cccc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)n1 ZINC000096139466 211306174 /nfs/dbraw/zinc/30/61/74/211306174.db2.gz ZRKFEEKQZGZGLU-HSZRJFAPSA-N 1 0 389.543 4.151 50 0 GIAARO C[NH+]1CCC(Oc2ccc(NC(=O)NCCc3ccccc3Cl)cc2)CC1 ZINC000095499469 211253947 /nfs/dbraw/zinc/25/39/47/211253947.db2.gz VLJTUVIUHPPINV-UHFFFAOYSA-N 1 0 387.911 4.177 50 0 GIAARO COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000095376656 211229566 /nfs/dbraw/zinc/22/95/66/211229566.db2.gz KQCFTNQIPPTXNK-REWPJTCUSA-N 1 0 399.531 4.355 50 0 GIAARO Fc1ccc(C(F)(F)F)cc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095372528 211229673 /nfs/dbraw/zinc/22/96/73/211229673.db2.gz ADLPJPMLEXMNIF-HNAYVOBHSA-N 1 0 393.428 4.336 50 0 GIAARO CC1(C)C[C@@H](C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)CCO1 ZINC000091987681 211212595 /nfs/dbraw/zinc/21/25/95/211212595.db2.gz DWJFQPMVYDIYDU-QFIPXVFZSA-N 1 0 398.591 4.139 50 0 GIAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](C2CCCCCCC2)CC3)cn1 ZINC000091893514 211209573 /nfs/dbraw/zinc/20/95/73/211209573.db2.gz QCKITDSOUOIKNL-UHFFFAOYSA-N 1 0 384.568 4.103 50 0 GIAARO O=C1CCC2(CC[NH+](Cc3ccccc3Cl)CC2)CN1Cc1ccncc1 ZINC000092080934 211217409 /nfs/dbraw/zinc/21/74/09/211217409.db2.gz BPYWREBQWVKNQC-UHFFFAOYSA-N 1 0 383.923 4.140 50 0 GIAARO O=c1cc(C[NH+]2CCC3(CNc4ccccc43)CC2)[nH]c2c(Cl)cccc12 ZINC000092065654 211214486 /nfs/dbraw/zinc/21/44/86/211214486.db2.gz INNYXAOBLOEMFQ-UHFFFAOYSA-N 1 0 379.891 4.141 50 0 GIAARO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cc1 ZINC000091646151 211200084 /nfs/dbraw/zinc/20/00/84/211200084.db2.gz DOXSVATZBAUZHA-UHFFFAOYSA-N 1 0 377.532 4.049 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[N@H+](C)CC2)cc1 ZINC000072479938 211124033 /nfs/dbraw/zinc/12/40/33/211124033.db2.gz FPAIBLLVIAPLMQ-UHFFFAOYSA-N 1 0 375.516 4.356 50 0 GIAARO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000072411370 211114526 /nfs/dbraw/zinc/11/45/26/211114526.db2.gz BMMSLGHFKVBCNK-HXUWFJFHSA-N 1 0 392.499 4.184 50 0 GIAARO Cc1cccc2c(CN3CCOC[C@H](C[NH+](C)C)C3)c(-c3ccccc3)[nH]c21 ZINC000072148768 211076171 /nfs/dbraw/zinc/07/61/71/211076171.db2.gz SMFDXQWTNREWLM-LJQANCHMSA-N 1 0 377.532 4.153 50 0 GIAARO CC(C)[C@@H]1CN(C(=O)c2ncoc2C2CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072169326 211080653 /nfs/dbraw/zinc/08/06/53/211080653.db2.gz FWZDESLWRJCVLN-IBGZPJMESA-N 1 0 385.483 4.064 50 0 GIAARO COc1ccnc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)c1OC ZINC000072151800 211077421 /nfs/dbraw/zinc/07/74/21/211077421.db2.gz KHEODAFAFOFAIS-HNNXBMFYSA-N 1 0 376.447 4.222 50 0 GIAARO COc1c(C)cc(-c2ccc(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)cn2)cc1C ZINC000071774840 211062221 /nfs/dbraw/zinc/06/22/21/211062221.db2.gz YVABLPQJBHIYQG-LJQANCHMSA-N 1 0 395.547 4.082 50 0 GIAARO CCC(=O)N(c1ccccc1)[C@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000071769279 211059873 /nfs/dbraw/zinc/05/98/73/211059873.db2.gz RSXFNAUIXGOMCW-NRFANRHFSA-N 1 0 382.479 4.306 50 0 GIAARO CCc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)nc1 ZINC000071615146 211052014 /nfs/dbraw/zinc/05/20/14/211052014.db2.gz ZDDUJCBGESMWND-JOCHJYFZSA-N 1 0 383.511 4.042 50 0 GIAARO O=C(N[C@H]1CCOc2c(Cl)cccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000069414320 211037825 /nfs/dbraw/zinc/03/78/25/211037825.db2.gz ZUYDLVCWHQLQJD-FQEVSTJZSA-N 1 0 384.907 4.192 50 0 GIAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000067983573 211033815 /nfs/dbraw/zinc/03/38/15/211033815.db2.gz JVBQAMQPPKOISJ-INIZCTEOSA-N 1 0 387.911 4.138 50 0 GIAARO O=C(CC[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1)NC1CC1 ZINC000067895952 211029461 /nfs/dbraw/zinc/02/94/61/211029461.db2.gz OYHBYMNUYPJVBY-UHFFFAOYSA-N 1 0 387.483 4.035 50 0 GIAARO CCC[C@H]([NH3+])C(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067842010 211024608 /nfs/dbraw/zinc/02/46/08/211024608.db2.gz UANLOQGSIFTOBT-FQEVSTJZSA-N 1 0 375.472 4.021 50 0 GIAARO FC(F)(F)c1cccc(Oc2ncccc2C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000067784120 211020672 /nfs/dbraw/zinc/02/06/72/211020672.db2.gz OROJCUGHYCIUJW-GOSISDBHSA-N 1 0 377.410 4.077 50 0 GIAARO Cc1ccc2cc(C3(O)CC[NH+](CCOCc4ccccc4)CC3)ccc2n1 ZINC000067458726 211010731 /nfs/dbraw/zinc/01/07/31/211010731.db2.gz GOCGQSUXJNRNPG-UHFFFAOYSA-N 1 0 376.500 4.043 50 0 GIAARO Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000046046715 210834031 /nfs/dbraw/zinc/83/40/31/210834031.db2.gz SWCXXKOZJNVJBQ-UHFFFAOYSA-N 1 0 375.900 4.299 50 0 GIAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000040051912 210767568 /nfs/dbraw/zinc/76/75/68/210767568.db2.gz WVIJKSYBXAHJBD-UHFFFAOYSA-N 1 0 384.907 4.276 50 0 GIAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697523 210661059 /nfs/dbraw/zinc/66/10/59/210661059.db2.gz GLSKZCSLOVTGBU-JTHBVZDNSA-N 1 0 378.516 4.037 50 0 GIAARO CCOc1ccc([C@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021168421 210380673 /nfs/dbraw/zinc/38/06/73/210380673.db2.gz YZELSFCZUDEPPS-BJKOFHAPSA-N 1 0 383.532 4.045 50 0 GIAARO CCOc1ccc([C@@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021168427 210380173 /nfs/dbraw/zinc/38/01/73/210380173.db2.gz YZELSFCZUDEPPS-RPWUZVMVSA-N 1 0 383.532 4.045 50 0 GIAARO CC(C)CC[C@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170127 210379749 /nfs/dbraw/zinc/37/97/49/210379749.db2.gz PWIDABSTYCVTRN-RPWUZVMVSA-N 1 0 383.532 4.132 50 0 GIAARO Cc1ccc(CNC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000021175037 210379802 /nfs/dbraw/zinc/37/98/02/210379802.db2.gz NENLMJMFZTZSDW-UHFFFAOYSA-N 1 0 385.939 4.360 50 0 GIAARO Cc1c(=O)[nH]c(-c2ccccc2C[N@H+](C)Cc2ccoc2)nc1C(F)(F)F ZINC000020996331 210373660 /nfs/dbraw/zinc/37/36/60/210373660.db2.gz CHECTKLNPFLETJ-UHFFFAOYSA-N 1 0 377.366 4.401 50 0 GIAARO C[C@H]1CCC[N@H+](CCCNC(=O)C2=Cc3sc4c(c3CS2)CCCC4)C1 ZINC000020931404 210371662 /nfs/dbraw/zinc/37/16/62/210371662.db2.gz KTLYLDMTGYBKTC-HNNXBMFYSA-N 1 0 390.618 4.453 50 0 GIAARO C[NH2+]CCCNCc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874652 210365757 /nfs/dbraw/zinc/36/57/57/210365757.db2.gz HZXQMPQTRSEDGK-UHFFFAOYSA-N 1 0 377.326 4.036 50 0 GIAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874911 210364408 /nfs/dbraw/zinc/36/44/08/210364408.db2.gz WRILXYHMXNEQFW-UHFFFAOYSA-N 1 0 376.928 4.277 50 0 GIAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000020820844 210363083 /nfs/dbraw/zinc/36/30/83/210363083.db2.gz ZJOSHLBLQQIMRO-GOSISDBHSA-N 1 0 383.561 4.011 50 0 GIAARO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccco1 ZINC000020604681 210350477 /nfs/dbraw/zinc/35/04/77/210350477.db2.gz GFOFJHZSFKLAAP-QHCPKHFHSA-N 1 0 392.499 4.325 50 0 aggregator GIAARO C[C@H]1CCc2c(sc3c2CSC(C(=O)NCCC[NH+]2CCCC2)=C3)C1 ZINC000020557735 210348022 /nfs/dbraw/zinc/34/80/22/210348022.db2.gz HMGUEMLEZYKWAF-AWEZNQCLSA-N 1 0 376.591 4.063 50 0 GIAARO Cc1ccccc1C[NH2+]Cc1cccn1-c1nnc(N2CCC(C)CC2)s1 ZINC000020576359 210347578 /nfs/dbraw/zinc/34/75/78/210347578.db2.gz NWYZHTXCJMLEBA-UHFFFAOYSA-N 1 0 381.549 4.163 50 0 GIAARO COc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440772 210333353 /nfs/dbraw/zinc/33/33/53/210333353.db2.gz CQDLQCAGLLFFQK-BJKOFHAPSA-N 1 0 383.532 4.045 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019999272 210310218 /nfs/dbraw/zinc/31/02/18/210310218.db2.gz ZRTFOPWDUXHOJR-UHFFFAOYSA-N 1 0 399.494 4.456 50 0 GIAARO Cc1ccc(-n2cc(CN3CC[C@H]([NH+](C)C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000019839530 210303273 /nfs/dbraw/zinc/30/32/73/210303273.db2.gz VTFQVJXPQJHLPT-QFIPXVFZSA-N 1 0 378.495 4.123 50 0 GIAARO C[C@H](Oc1ccccc1)c1cc(=O)[nH]c(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000019792692 210297565 /nfs/dbraw/zinc/29/75/65/210297565.db2.gz PTYUNBOAZNDEQH-KRWDZBQOSA-N 1 0 375.472 4.173 50 0 GIAARO Cc1cccc(-c2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)c1 ZINC000019681682 210281406 /nfs/dbraw/zinc/28/14/06/210281406.db2.gz HAAUFJDETRVCDD-UHFFFAOYSA-N 1 0 377.517 4.474 50 0 GIAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000011821178 221128896 /nfs/dbraw/zinc/12/88/96/221128896.db2.gz SOSGWFNZGGLMAL-UHFFFAOYSA-N 1 0 388.471 4.120 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)C2CCCC2)CC1 ZINC000011841402 221131785 /nfs/dbraw/zinc/13/17/85/221131785.db2.gz ZQVFLQPMYHSQDJ-DEOSSOPVSA-N 1 0 398.591 4.405 50 0 GIAARO Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccc5cccnc54)[N@@H+]4CCC[C@@]34C2=O)o1 ZINC000011933649 221137623 /nfs/dbraw/zinc/13/76/23/221137623.db2.gz MNDXAKCQEOWTEY-XZOYJPPVSA-N 1 0 387.483 4.074 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)c(F)c1 ZINC000011935314 221138806 /nfs/dbraw/zinc/13/88/06/221138806.db2.gz IDOOFEYJKNMNIY-CQSZACIVSA-N 1 0 397.450 4.189 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000011916604 221136491 /nfs/dbraw/zinc/13/64/91/221136491.db2.gz VYQPOBUXSPKMMB-QHCPKHFHSA-N 1 0 396.531 4.439 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCCc4ccccc43)cc2C)CC1 ZINC000057984405 136154200 /nfs/dbraw/zinc/15/42/00/136154200.db2.gz WMKSDNMXQGUMFV-JOCHJYFZSA-N 1 0 392.547 4.336 50 0 GIAARO c1ccc(-c2noc(-c3ccc(N4CC[NH+](C5CCCCC5)CC4)nc3)n2)cc1 ZINC000064676738 136157464 /nfs/dbraw/zinc/15/74/64/136157464.db2.gz UZXUMIYWASGGDB-UHFFFAOYSA-N 1 0 389.503 4.253 50 0 GIAARO Cc1noc(C)c1COc1ccc(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1 ZINC000096003685 136183170 /nfs/dbraw/zinc/18/31/70/136183170.db2.gz SEFQHWMYVNLZLZ-NRFANRHFSA-N 1 0 391.515 4.363 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000003363297 136196595 /nfs/dbraw/zinc/19/65/95/136196595.db2.gz RGUPIRNFLWAIME-UHFFFAOYSA-N 1 0 378.303 4.388 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(=O)c2cc(C)c(C)cc2o1)c1ccccc1 ZINC000028292246 221674082 /nfs/dbraw/zinc/67/40/82/221674082.db2.gz DOQFCTHJZHQMHN-FQEVSTJZSA-N 1 0 392.499 4.223 50 0 GIAARO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000025175653 520496858 /nfs/dbraw/zinc/49/68/58/520496858.db2.gz QWZBFPZYZXJMPU-LDADJPATSA-N 1 0 390.505 4.311 50 0 GIAARO Cc1nc(-c2ccccn2)sc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008184981 526610116 /nfs/dbraw/zinc/61/01/16/526610116.db2.gz RDUDNSHAFCJUBM-UHFFFAOYSA-N 1 0 398.576 4.432 50 0 GIAARO O=C(Nc1ccccc1-c1ccccc1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000095496722 527401348 /nfs/dbraw/zinc/40/13/48/527401348.db2.gz XLYJKUPRUHIMIE-FQEVSTJZSA-N 1 0 379.504 4.072 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)c1cccc(OC)c1 ZINC000047827267 570215029 /nfs/dbraw/zinc/21/50/29/570215029.db2.gz CKTMHXXKSCWTKB-OAQYLSRUSA-N 1 0 393.487 4.163 50 0 GIAARO CC[NH+](CC)CC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 ZINC000048311138 570233437 /nfs/dbraw/zinc/23/34/37/570233437.db2.gz VPMQIBBJJRYJSJ-UHFFFAOYSA-N 1 0 378.419 4.244 50 0 GIAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1cccnc1Oc1ccccc1 ZINC000048356641 570242760 /nfs/dbraw/zinc/24/27/60/570242760.db2.gz MPFPYCMMAHDJHL-UHFFFAOYSA-N 1 0 376.460 4.257 50 0 GIAARO Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000048364854 570245042 /nfs/dbraw/zinc/24/50/42/570245042.db2.gz CLQLFUGZNFEOBI-OAQYLSRUSA-N 1 0 395.482 4.053 50 0 GIAARO C[C@H]([NH2+]CCOc1ccccc1F)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000049581024 570271180 /nfs/dbraw/zinc/27/11/80/570271180.db2.gz MWQVNSHAABSQOF-SFHVURJKSA-N 1 0 392.474 4.088 50 0 GIAARO CC(C)C[NH+]1CCC(N(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000034683681 570301479 /nfs/dbraw/zinc/30/14/79/570301479.db2.gz IDPUIMZUUSJRRM-UHFFFAOYSA-N 1 0 390.524 4.141 50 0 GIAARO CC[NH2+]CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 ZINC000002963809 570320497 /nfs/dbraw/zinc/32/04/97/570320497.db2.gz KMOPIRNEXBHZCE-UHFFFAOYSA-N 1 0 381.476 4.016 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)c1oc2c(cccc2F)c1C)[NH+]1CCCC1 ZINC000022680060 570324275 /nfs/dbraw/zinc/32/42/75/570324275.db2.gz SMMPOGGECPVJRY-LJQANCHMSA-N 1 0 396.462 4.456 50 0 GIAARO c1csc(-c2noc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)n2)c1 ZINC000022804705 570329154 /nfs/dbraw/zinc/32/91/54/570329154.db2.gz BTAKHXBTLVRGQQ-UHFFFAOYSA-N 1 0 390.512 4.269 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000023742459 570330450 /nfs/dbraw/zinc/33/04/50/570330450.db2.gz BKPHXANXBKHMNV-DEOSSOPVSA-N 1 0 396.490 4.465 50 0 GIAARO COc1cccc(C[NH2+]CCc2nc3ccccc3[nH]2)c1OCc1ccccc1 ZINC000113399571 570332495 /nfs/dbraw/zinc/33/24/95/570332495.db2.gz UHZZAMALGZUARO-UHFFFAOYSA-N 1 0 387.483 4.483 50 0 GIAARO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000022932695 570337540 /nfs/dbraw/zinc/33/75/40/570337540.db2.gz MHWRNFKFDKMEMA-GOSISDBHSA-N 1 0 376.504 4.015 50 0 GIAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000237273771 570341682 /nfs/dbraw/zinc/34/16/82/570341682.db2.gz ZSHVZFHGBOTGGP-INIZCTEOSA-N 1 0 393.462 4.219 50 0 GIAARO Cc1cccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)c1 ZINC000247889722 570343080 /nfs/dbraw/zinc/34/30/80/570343080.db2.gz UWHWBYHOVJPZKS-IFMALSPDSA-N 1 0 389.923 4.069 50 0 GIAARO Cc1nccc(-c2cccc(N3CCC([NH2+]CCc4cccs4)CC3)c2)n1 ZINC000023231377 570351047 /nfs/dbraw/zinc/35/10/47/570351047.db2.gz QZYPZMYZRQNDRQ-UHFFFAOYSA-N 1 0 378.545 4.315 50 0 GIAARO Cc1cccc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)c1 ZINC000008120286 570361102 /nfs/dbraw/zinc/36/11/02/570361102.db2.gz RSXARJQASAEAGG-UHFFFAOYSA-N 1 0 395.510 4.322 50 0 GIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+]([C@H](C)Cc2cccnc2)CC1 ZINC000023478222 570363236 /nfs/dbraw/zinc/36/32/36/570363236.db2.gz NTOAAHCDTIBVRJ-HXUWFJFHSA-N 1 0 380.532 4.291 50 0 GIAARO CCC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)C2CC2)CC1 ZINC000004241102 570363796 /nfs/dbraw/zinc/36/37/96/570363796.db2.gz KRDMDBOYZZQGFT-UHFFFAOYSA-N 1 0 385.552 4.150 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000004307404 570366892 /nfs/dbraw/zinc/36/68/92/570366892.db2.gz OZIMKGIAXSLLHC-UHFFFAOYSA-N 1 0 378.398 4.101 50 0 GIAARO Cc1cc(N2CCN(CC(=O)c3ccc(Cl)cc3)CC2)c2ccccc2[nH+]1 ZINC000004336355 570369334 /nfs/dbraw/zinc/36/93/34/570369334.db2.gz MTZQGEPGYCFKJS-UHFFFAOYSA-N 1 0 379.891 4.202 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1csc2ccccc21 ZINC000575621780 570370576 /nfs/dbraw/zinc/37/05/76/570370576.db2.gz UHHZQJQTEFHTMI-LJQANCHMSA-N 1 0 382.504 4.491 50 0 GIAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000237498467 570372492 /nfs/dbraw/zinc/37/24/92/570372492.db2.gz VHYPZNYJPOATIY-QWHCGFSZSA-N 1 0 394.302 4.380 50 0 GIAARO Cc1ccc(OCCCC[NH+]2CCC(C)CC2)c(I)c1 ZINC000006189847 570375118 /nfs/dbraw/zinc/37/51/18/570375118.db2.gz QXBFSVQDARIRGC-UHFFFAOYSA-N 1 0 387.305 4.491 50 0 GIAARO C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)[C@@H](O)c1ccc(O)cc1 ZINC000023935777 570375468 /nfs/dbraw/zinc/37/54/68/570375468.db2.gz QTHMKDAEOJUAAD-RNODOKPDSA-N 1 0 380.469 4.474 50 0 GIAARO Cc1cc(N2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)cc[nH+]1 ZINC000220289499 570384548 /nfs/dbraw/zinc/38/45/48/570384548.db2.gz NXDXMKQQNJXGRE-UHFFFAOYSA-N 1 0 383.923 4.204 50 0 GIAARO O=C(CCN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1ccccc1F ZINC000024831896 570394878 /nfs/dbraw/zinc/39/48/78/570394878.db2.gz AMCIKJICISYMBJ-UHFFFAOYSA-N 1 0 397.519 4.187 50 0 GIAARO CCOc1ccccc1C[NH+]1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC000004712138 570397103 /nfs/dbraw/zinc/39/71/03/570397103.db2.gz JXTZQKXNYKJNGK-UHFFFAOYSA-N 1 0 397.538 4.011 50 0 GIAARO O[C@@H](COCC(c1ccccc1)c1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000035590814 570398939 /nfs/dbraw/zinc/39/89/39/570398939.db2.gz GQPBGIFQSTUTAH-RUZDIDTESA-N 1 0 387.523 4.254 50 0 GIAARO COc1cc(C[NH2+]C2CCCCCCC2)c(Br)cc1OCCO ZINC000004834405 570409718 /nfs/dbraw/zinc/40/97/18/570409718.db2.gz RAZSTMZKMGDMBW-UHFFFAOYSA-N 1 0 386.330 4.031 50 0 GIAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025329901 570411044 /nfs/dbraw/zinc/41/10/44/570411044.db2.gz WWXAMOBVFAQHOO-IAQYHMDHSA-N 1 0 387.332 4.241 50 0 GIAARO O=C(Nc1cccc(C[NH2+]CCn2ccnc2)c1)c1ccc(Cl)cc1Cl ZINC000026309169 570424356 /nfs/dbraw/zinc/42/43/56/570424356.db2.gz BIVVHCPGRRJHDY-UHFFFAOYSA-N 1 0 389.286 4.232 50 0 GIAARO O[C@@](c1ccccc1)(c1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000026568989 570426985 /nfs/dbraw/zinc/42/69/85/570426985.db2.gz HLARMCFCXXGSBI-RPWUZVMVSA-N 1 0 377.459 4.135 50 0 GIAARO Cc1cc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)ccc1Cl ZINC000027582018 570436482 /nfs/dbraw/zinc/43/64/82/570436482.db2.gz TWWDEIGNCMIJHN-SFHVURJKSA-N 1 0 392.952 4.432 50 0 GIAARO COc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027663749 570439207 /nfs/dbraw/zinc/43/92/07/570439207.db2.gz XWADPZFEXLOYSN-OAQYLSRUSA-N 1 0 386.923 4.235 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1nc(-c2ccccc2)oc1C)c1ccccc1 ZINC000029165713 570469820 /nfs/dbraw/zinc/46/98/20/570469820.db2.gz SDRPDQMCGPADSM-FQEVSTJZSA-N 1 0 377.488 4.463 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(F)c1 ZINC000029836855 570481312 /nfs/dbraw/zinc/48/13/12/570481312.db2.gz CXXIGESEJBDUMX-HXUWFJFHSA-N 1 0 390.458 4.482 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)CC1 ZINC000005172722 570491957 /nfs/dbraw/zinc/49/19/57/570491957.db2.gz RLUSIOKXUDUKTP-UHFFFAOYSA-N 1 0 399.494 4.315 50 0 GIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000030630152 570493062 /nfs/dbraw/zinc/49/30/62/570493062.db2.gz GWTQFYFMOZOGID-QGZVFWFLSA-N 1 0 375.472 4.470 50 0 GIAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2sccc2C)ccc1OCC(N)=O ZINC000033087213 570519592 /nfs/dbraw/zinc/51/95/92/570519592.db2.gz YWIDIKXQJINPCX-KRWDZBQOSA-N 1 0 388.533 4.047 50 0 GIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)o1 ZINC000036097908 570536080 /nfs/dbraw/zinc/53/60/80/570536080.db2.gz ODXOMQKRKLAHPG-QFIPXVFZSA-N 1 0 383.463 4.307 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)c1 ZINC000036098510 570536609 /nfs/dbraw/zinc/53/66/09/570536609.db2.gz XCUABDRRDHRKEW-QFIPXVFZSA-N 1 0 395.474 4.276 50 0 GIAARO Cc1cccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)c1 ZINC000036100680 570537855 /nfs/dbraw/zinc/53/78/55/570537855.db2.gz UWHWBYHOVJPZKS-RBBKRZOGSA-N 1 0 389.923 4.069 50 0 GIAARO COc1ccccc1CN(Cc1ccco1)C[C@H](O)COc1ccccc1C ZINC000036102712 570539612 /nfs/dbraw/zinc/53/96/12/570539612.db2.gz FJZRESOFYITZHN-FQEVSTJZSA-N 1 0 381.472 4.039 50 0 GIAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)Cc2cccc(F)c2)cc1 ZINC000036104299 570541043 /nfs/dbraw/zinc/54/10/43/570541043.db2.gz FCYBPZOHEZVBHZ-QFIPXVFZSA-N 1 0 395.474 4.276 50 0 GIAARO CC[C@H](C)C[NH2+]CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1 ZINC000036094728 570560714 /nfs/dbraw/zinc/56/07/14/570560714.db2.gz AEENEMOEBJOKGN-OXJNMPFZSA-N 1 0 386.561 4.197 50 0 in-vitro GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4CCOCC4)C3)C2)cc1 ZINC000011662058 570576995 /nfs/dbraw/zinc/57/69/95/570576995.db2.gz PUKNDYFZCMQUMN-DEOSSOPVSA-N 1 0 384.564 4.051 50 0 GIAARO CCN(Cc1ccccc1OC)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011700706 570580110 /nfs/dbraw/zinc/58/01/10/570580110.db2.gz GCUMGXTWNISIRR-JOCHJYFZSA-N 1 0 396.575 4.480 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)cn1 ZINC000011753424 570580918 /nfs/dbraw/zinc/58/09/18/570580918.db2.gz WKVUBLIDOXXDPO-FQEVSTJZSA-N 1 0 392.478 4.077 50 0 GIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000011814704 570583794 /nfs/dbraw/zinc/58/37/94/570583794.db2.gz QZVQDFZALZRNEB-IBGZPJMESA-N 1 0 398.547 4.131 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cnn1-c1ccccc1 ZINC000011815862 570583959 /nfs/dbraw/zinc/58/39/59/570583959.db2.gz TVQMEQMIBWBRGA-INIZCTEOSA-N 1 0 375.451 4.356 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)cc1OC ZINC000011816923 570584334 /nfs/dbraw/zinc/58/43/34/570584334.db2.gz CJNWCVYTAYRIAH-QGZVFWFLSA-N 1 0 378.472 4.280 50 0 GIAARO Cc1cccc(-n2cc(C[NH2+]CCc3cn[nH]c3)c(-c3cccc(F)c3)n2)c1 ZINC000011818401 570584822 /nfs/dbraw/zinc/58/48/22/570584822.db2.gz BPCLAFMPHZFEKG-UHFFFAOYSA-N 1 0 375.451 4.042 50 0 GIAARO Cc1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)c1C ZINC000011818268 570584910 /nfs/dbraw/zinc/58/49/10/570584910.db2.gz XGQDTKCBFIGTLE-HXUWFJFHSA-N 1 0 382.523 4.469 50 0 GIAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCSCC3)cc2)n1 ZINC000011818295 570584972 /nfs/dbraw/zinc/58/49/72/570584972.db2.gz UFQTYRVJHNFYPS-NRFANRHFSA-N 1 0 398.576 4.178 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000011817636 570585020 /nfs/dbraw/zinc/58/50/20/570585020.db2.gz ZXHIWZQEVKKWMJ-UHFFFAOYSA-N 1 0 382.504 4.004 50 0 GIAARO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000011843401 570587800 /nfs/dbraw/zinc/58/78/00/570587800.db2.gz UDECBNCNXHHCDA-IBGZPJMESA-N 1 0 392.499 4.012 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccsc1 ZINC000011872998 570589563 /nfs/dbraw/zinc/58/95/63/570589563.db2.gz ZKISYQXDYPOTKI-KRWDZBQOSA-N 1 0 376.953 4.428 50 0 GIAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1)NC1CC1 ZINC000011936690 570594086 /nfs/dbraw/zinc/59/40/86/570594086.db2.gz NZSQXBRGHQFILI-HNNXBMFYSA-N 1 0 386.927 4.001 50 0 GIAARO COC[C@H]1CCC[N@H+](Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000011999862 570597884 /nfs/dbraw/zinc/59/78/84/570597884.db2.gz FRFMKDKBCHSKKO-KRWDZBQOSA-N 1 0 383.467 4.438 50 0 GIAARO CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c(C)n1 ZINC000012000469 570597892 /nfs/dbraw/zinc/59/78/92/570597892.db2.gz XFFXFDKXYRCSTG-FQEVSTJZSA-N 1 0 383.536 4.484 50 0 GIAARO CC(C)n1cc(C[NH+]2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)cn1 ZINC000012022999 570598822 /nfs/dbraw/zinc/59/88/22/570598822.db2.gz CTVDXGYDHHCVRT-UHFFFAOYSA-N 1 0 382.552 4.115 50 0 GIAARO CCOC(C(=O)OCCC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000005462446 570602246 /nfs/dbraw/zinc/60/22/46/570602246.db2.gz FGMLLFVPMQNDMM-UHFFFAOYSA-N 1 0 381.516 4.386 50 0 GIAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCSCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000012074014 570604636 /nfs/dbraw/zinc/60/46/36/570604636.db2.gz FAZHIVOONRPEBK-AWEZNQCLSA-N 1 0 386.483 4.043 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)cc(Br)c1OC(C)C ZINC000040719602 570604738 /nfs/dbraw/zinc/60/47/38/570604738.db2.gz DLVLHDBYLPXAMT-MRXNPFEDSA-N 1 0 399.373 4.209 50 0 GIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cccs2)cc1Cl ZINC000005471013 570604921 /nfs/dbraw/zinc/60/49/21/570604921.db2.gz PJVCQOPIUPVXOC-UHFFFAOYSA-N 1 0 380.897 4.152 50 0 GIAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040720615 570605380 /nfs/dbraw/zinc/60/53/80/570605380.db2.gz YAWAKQSIRCAZDY-UHFFFAOYSA-N 1 0 383.319 4.232 50 0 GIAARO CCOc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1ccccc1F ZINC000040721006 570605918 /nfs/dbraw/zinc/60/59/18/570605918.db2.gz JAIGMYCKUONALQ-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO Clc1ccccc1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000040721950 570606313 /nfs/dbraw/zinc/60/63/13/570606313.db2.gz OJKLGTXDNVDGCH-UHFFFAOYSA-N 1 0 391.862 4.398 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000005478363 570608537 /nfs/dbraw/zinc/60/85/37/570608537.db2.gz MELPJFLPELMAHW-NRFANRHFSA-N 1 0 379.479 4.490 50 0 GIAARO CCOc1ccccc1C[NH+]1CCC2(C[C@H]2C(=O)NCCc2ccccc2)CC1 ZINC000012099139 570608577 /nfs/dbraw/zinc/60/85/77/570608577.db2.gz DEIOPJIPEPPODX-QFIPXVFZSA-N 1 0 392.543 4.046 50 0 GIAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000040732820 570608945 /nfs/dbraw/zinc/60/89/45/570608945.db2.gz PJGJHIPNZGPLPV-UHFFFAOYSA-N 1 0 392.474 4.484 50 0 GIAARO CCCCOCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040733153 570609441 /nfs/dbraw/zinc/60/94/41/570609441.db2.gz JVGYRZOQLBEUBF-UHFFFAOYSA-N 1 0 384.520 4.309 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040742768 570612212 /nfs/dbraw/zinc/61/22/12/570612212.db2.gz QYYDDGRRURXSQL-INIZCTEOSA-N 1 0 384.303 4.442 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040744075 570613547 /nfs/dbraw/zinc/61/35/47/570613547.db2.gz OBVSTVHIOFWONV-CYBMUJFWSA-N 1 0 384.303 4.442 50 0 GIAARO CC1CC[NH+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC000036341283 570625562 /nfs/dbraw/zinc/62/55/62/570625562.db2.gz FGAYLZNDSFPBHV-QFIPXVFZSA-N 1 0 397.469 4.374 50 0 GIAARO O[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000012208389 570626702 /nfs/dbraw/zinc/62/67/02/570626702.db2.gz KJTRCZZNESMEDV-GOSISDBHSA-N 1 0 385.870 4.289 50 0 GIAARO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036343532 570627030 /nfs/dbraw/zinc/62/70/30/570627030.db2.gz PIGOKCCLCURGHB-HSZRJFAPSA-N 1 0 375.516 4.385 50 0 GIAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c(C)c1C ZINC000012299598 570635244 /nfs/dbraw/zinc/63/52/44/570635244.db2.gz SAMFHKFJXAFGMW-UHFFFAOYSA-N 1 0 398.551 4.330 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)n1 ZINC000012303930 570637733 /nfs/dbraw/zinc/63/77/33/570637733.db2.gz FUHKTLRGPYVSSV-MRXNPFEDSA-N 1 0 391.437 4.051 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+]([C@@H](C)Cc2cccnc2)CC1 ZINC000012304406 570638228 /nfs/dbraw/zinc/63/82/28/570638228.db2.gz DHMZKLLRYASWTB-FQEVSTJZSA-N 1 0 396.531 4.127 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)/C=C/c1ccccn1 ZINC000012308858 570640412 /nfs/dbraw/zinc/64/04/12/570640412.db2.gz RNVMGYFEXLVSMT-VAWYXSNFSA-N 1 0 391.559 4.206 50 0 GIAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000012386669 570651267 /nfs/dbraw/zinc/65/12/67/570651267.db2.gz VZUJNEYSKDMUDH-SFHVURJKSA-N 1 0 378.447 4.477 50 0 GIAARO CCOc1ccc([C@]2(O)[C@H](C)[N@@H+]3CCCC=C3N2c2ccc(OC)cc2)cc1 ZINC000005336512 570662060 /nfs/dbraw/zinc/66/20/60/570662060.db2.gz WIAKONAZEZMVLZ-GAJHUEQPSA-N 1 0 380.488 4.085 50 0 GIAARO COc1ccc(CC2(CO)CC[NH+](Cc3ccccc3OC(F)F)CC2)cc1 ZINC000012439035 570663534 /nfs/dbraw/zinc/66/35/34/570663534.db2.gz DFLHBBIPHZGCNW-UHFFFAOYSA-N 1 0 391.458 4.114 50 0 GIAARO Cn1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c2cc(Cl)ccc21 ZINC000065060076 570667898 /nfs/dbraw/zinc/66/78/98/570667898.db2.gz KNVKMCFXMTWLFS-UHFFFAOYSA-N 1 0 387.955 4.493 50 0 GIAARO CCS[C@H]1CCCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000153107198 570671938 /nfs/dbraw/zinc/67/19/38/570671938.db2.gz FHYLIPZVOKXSDQ-AWEZNQCLSA-N 1 0 395.366 4.329 50 0 GIAARO O=c1[nH]c2cccc(N3CC[NH+](Cc4cccc(-c5ccccc5)c4)CC3)c2o1 ZINC000052971454 570673612 /nfs/dbraw/zinc/67/36/12/570673612.db2.gz CYGODHVAJQTCBG-UHFFFAOYSA-N 1 0 385.467 4.110 50 0 investigational GIAARO C[C@@H]1CCc2c(sc3ncnc(N4CC[NH+](Cc5ccccc5)CC4)c23)C1 ZINC000054209027 570676722 /nfs/dbraw/zinc/67/67/22/570676722.db2.gz DESNIKZBNPUKSF-MRXNPFEDSA-N 1 0 378.545 4.138 50 0 GIAARO CCCCN(Cc1sccc1C)C(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000055042057 570679964 /nfs/dbraw/zinc/67/99/64/570679964.db2.gz BCONYTHBOPICND-UHFFFAOYSA-N 1 0 378.582 4.076 50 0 GIAARO CCn1cc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c(C)n1 ZINC000012574268 570682012 /nfs/dbraw/zinc/68/20/12/570682012.db2.gz APKFWTUOBBOZOG-FQEVSTJZSA-N 1 0 381.499 4.340 50 0 GIAARO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012585788 570684981 /nfs/dbraw/zinc/68/49/81/570684981.db2.gz CMWCJOFZPGFDMT-SFHVURJKSA-N 1 0 375.406 4.356 50 0 GIAARO CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000241435169 570686505 /nfs/dbraw/zinc/68/65/05/570686505.db2.gz NLHKEEPKVZHTIS-UHFFFAOYSA-N 1 0 396.535 4.241 50 0 GIAARO Cc1ncsc1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012597401 570690076 /nfs/dbraw/zinc/69/00/76/570690076.db2.gz RUGBJJSQDCEUMU-JOCHJYFZSA-N 1 0 383.561 4.012 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@H](O)C2)c(C)s1 ZINC000012597634 570690242 /nfs/dbraw/zinc/69/02/42/570690242.db2.gz NADLONDIMFSAMZ-KRWDZBQOSA-N 1 0 385.508 4.313 50 0 GIAARO Cc1ccc(C(=O)Nc2cc(NC(=O)[C@@H](C)C[N@@H+](C)C(C)C)ccc2C)cc1 ZINC000055281432 570690319 /nfs/dbraw/zinc/69/03/19/570690319.db2.gz RFTAWZPEEBVDLR-SFHVURJKSA-N 1 0 381.520 4.471 50 0 GIAARO CCCOc1ccccc1[C@@H](C)[NH2+]Cc1c(C)n(CC(N)=O)c2ccccc12 ZINC000055370125 570692743 /nfs/dbraw/zinc/69/27/43/570692743.db2.gz ZWIUUOGZZBXUKI-MRXNPFEDSA-N 1 0 379.504 4.075 50 0 GIAARO O=C(Cc1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055531404 570696216 /nfs/dbraw/zinc/69/62/16/570696216.db2.gz ZIYCMPOEXHAUQK-UHFFFAOYSA-N 1 0 385.511 4.190 50 0 GIAARO Cc1cccc(-n2cc(C[NH2+]Cc3cnn(C)c3)c(-c3cccc(F)c3)n2)c1 ZINC000012709546 570702177 /nfs/dbraw/zinc/70/21/77/570702177.db2.gz CMJAUODZDBLBQX-UHFFFAOYSA-N 1 0 375.451 4.010 50 0 GIAARO O=C(c1ccccc1OC1CC[NH+](C/C=C/c2ccco2)CC1)N1CCCC1 ZINC000012711544 570702627 /nfs/dbraw/zinc/70/26/27/570702627.db2.gz OPSUHDMLEOWAPD-FNORWQNLSA-N 1 0 380.488 4.072 50 0 GIAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+](C)C)no2)cc1 ZINC000032623089 570707537 /nfs/dbraw/zinc/70/75/37/570707537.db2.gz ZFKOOFKMBJTQSK-IBGZPJMESA-N 1 0 399.878 4.036 50 0 GIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3cccc4cccnc43)C2)c1 ZINC000012746633 570708841 /nfs/dbraw/zinc/70/88/41/570708841.db2.gz HQPPZOMFKHJDLI-DEOSSOPVSA-N 1 0 376.500 4.061 50 0 GIAARO C[NH+](C)[C@H](CNc1nc(-c2cccnc2)nc2ccccc21)c1cccs1 ZINC000058157492 570711915 /nfs/dbraw/zinc/71/19/15/570711915.db2.gz XOEDCHIBUTXDPE-GOSISDBHSA-N 1 0 375.501 4.468 50 0 GIAARO C[C@H](OC[C@H](O)C[NH2+]Cc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000058160593 570712968 /nfs/dbraw/zinc/71/29/68/570712968.db2.gz GNEPNPIGKRSFBF-XJKSGUPXSA-N 1 0 376.909 4.178 50 0 GIAARO CCCCN(C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1)C(C)C ZINC000248018582 570719805 /nfs/dbraw/zinc/71/98/05/570719805.db2.gz TYNFYKOSBAEHHI-IBGZPJMESA-N 1 0 384.568 4.305 50 0 GIAARO CC(C)N(C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1)C(C)C ZINC000248174636 570721675 /nfs/dbraw/zinc/72/16/75/570721675.db2.gz UXGGHSBDIIMNPJ-LJQANCHMSA-N 1 0 384.568 4.475 50 0 GIAARO CC(C)n1c(CN2CCC(C(=O)NCc3ccccc3)CC2)nc2ccccc21 ZINC000248160213 570721692 /nfs/dbraw/zinc/72/16/92/570721692.db2.gz KQDCAPDVHRNBCY-UHFFFAOYSA-N 1 0 390.531 4.146 50 0 GIAARO COc1ccccc1CC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248246539 570722031 /nfs/dbraw/zinc/72/20/31/570722031.db2.gz MIYDNVZUGDJSJF-UHFFFAOYSA-N 1 0 398.510 4.334 50 0 GIAARO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCSc1ccccc1Cl ZINC000058356717 570728870 /nfs/dbraw/zinc/72/88/70/570728870.db2.gz KYCOXOIAUZISGZ-AWEZNQCLSA-N 1 0 398.981 4.163 50 0 GIAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000058445841 570734079 /nfs/dbraw/zinc/73/40/79/570734079.db2.gz LRRQTUSQZIUAFZ-MSOLQXFVSA-N 1 0 379.287 4.442 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)c1cc2c(s1)CC[C@@H](C)C2)[NH+]1CCCC1 ZINC000032688920 570740693 /nfs/dbraw/zinc/74/06/93/570740693.db2.gz RYUDAEZDJXKODK-VQIMIIECSA-N 1 0 398.572 4.448 50 0 GIAARO c1ncn(-c2ccccc2C[NH2+]Cc2cnc(-c3ccc4ccccc4c3)nc2)n1 ZINC000063870510 570752310 /nfs/dbraw/zinc/75/23/10/570752310.db2.gz DUBVJONNJRCROM-UHFFFAOYSA-N 1 0 392.466 4.167 50 0 GIAARO CCSc1ncc(-c2c(-c3ccccc3)ncn2C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000065370846 570761695 /nfs/dbraw/zinc/76/16/95/570761695.db2.gz RMESBAULQLIRMF-MRXNPFEDSA-N 1 0 379.533 4.071 50 0 GIAARO CCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(C[NH+](C)C)cs2)no1 ZINC000065372154 570761925 /nfs/dbraw/zinc/76/19/25/570761925.db2.gz CUAZDKMKZILAIM-UHFFFAOYSA-N 1 0 393.516 4.334 50 0 GIAARO Cn1nc(-c2c(-c3ccccc3)ncn2[C@H]2CC[NH2+]C2)c2c1cccc2Cl ZINC000065489238 570770476 /nfs/dbraw/zinc/77/04/76/570770476.db2.gz ZBMDFBXCMIGKGQ-HNNXBMFYSA-N 1 0 377.879 4.292 50 0 GIAARO Cn1nc(-c2c(-c3ccccc3)ncn2[C@@H]2CC[NH2+]C2)c2c1cccc2Cl ZINC000065489235 570770605 /nfs/dbraw/zinc/77/06/05/570770605.db2.gz ZBMDFBXCMIGKGQ-OAHLLOKOSA-N 1 0 377.879 4.292 50 0 GIAARO CCc1ccc([C@@H](CNC(=O)c2c(C)nn(-c3ccccc3)c2C)[NH+](C)C)cc1 ZINC000032733611 570788442 /nfs/dbraw/zinc/78/84/42/570788442.db2.gz ODXOXNRQXPAZBY-JOCHJYFZSA-N 1 0 390.531 4.084 50 0 GIAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000032751493 570791905 /nfs/dbraw/zinc/79/19/05/570791905.db2.gz GXPBDTCAEQKKED-NRFANRHFSA-N 1 0 375.472 4.437 50 0 GIAARO COc1ccc2nc3oc(C(=O)N4CC[NH+](C5CCCCC5)CC4)cc3cc2c1 ZINC000065331035 570801524 /nfs/dbraw/zinc/80/15/24/570801524.db2.gz WNUWRKAKEQRHLE-UHFFFAOYSA-N 1 0 393.487 4.080 50 0 GIAARO O=C(C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)N1CCCC1 ZINC000005900528 570802108 /nfs/dbraw/zinc/80/21/08/570802108.db2.gz KXRVYFMGUPMVDG-UHFFFAOYSA-N 1 0 378.516 4.100 50 0 GIAARO COc1ccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)c(OC)c1OC ZINC000004678902 570825345 /nfs/dbraw/zinc/82/53/45/570825345.db2.gz NHPBKJPPWOIOES-UHFFFAOYSA-N 1 0 381.476 4.342 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2C)CC1 ZINC000012528155 570832503 /nfs/dbraw/zinc/83/25/03/570832503.db2.gz PQQCNCJWKUQHNZ-UHFFFAOYSA-N 1 0 397.950 4.461 50 0 GIAARO CC(C)(CNC(=O)CCCC(=O)c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000037171402 570844833 /nfs/dbraw/zinc/84/48/33/570844833.db2.gz BYSMPDVBPXTIRG-UHFFFAOYSA-N 1 0 384.545 4.054 50 0 GIAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccccc1C(F)(F)F ZINC000043971862 570846524 /nfs/dbraw/zinc/84/65/24/570846524.db2.gz LERZSCPTJMEFQE-UHFFFAOYSA-N 1 0 382.451 4.409 50 0 GIAARO COc1ccc(Cl)cc1C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971850 570846650 /nfs/dbraw/zinc/84/66/50/570846650.db2.gz HOLWUJMHCCQECE-UHFFFAOYSA-N 1 0 378.925 4.052 50 0 GIAARO Cc1csc2nc(C[N@@H+](C)C(c3ccccc3)c3ccccc3)cc(=O)n12 ZINC000007977396 570847030 /nfs/dbraw/zinc/84/70/30/570847030.db2.gz JOGCAFKYXUAZPJ-UHFFFAOYSA-N 1 0 375.497 4.286 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000003422575 570866628 /nfs/dbraw/zinc/86/66/28/570866628.db2.gz QWNRXRGBTYLNIS-MRXNPFEDSA-N 1 0 381.701 4.135 50 0 GIAARO COc1cccc(CN(C(=O)C[NH+]2CCCC2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000015256643 570886273 /nfs/dbraw/zinc/88/62/73/570886273.db2.gz QECQBTVJTMMBTP-UHFFFAOYSA-N 1 0 382.548 4.088 50 0 GIAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc2ncccc21 ZINC000032903434 570899930 /nfs/dbraw/zinc/89/99/30/570899930.db2.gz PYKIRHNXIIVZSX-OAQYLSRUSA-N 1 0 379.891 4.455 50 0 GIAARO Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1F ZINC000079025096 570911387 /nfs/dbraw/zinc/91/13/87/570911387.db2.gz UIOBYPMLUTWRRV-SECBINFHSA-N 1 0 381.238 4.446 50 0 GIAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC000023128053 570913539 /nfs/dbraw/zinc/91/35/39/570913539.db2.gz ZQGPKHIKYATXDY-UHFFFAOYSA-N 1 0 382.451 4.409 50 0 GIAARO COc1nc2ccccc2cc1-c1cccc(C(=O)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000534649388 570917701 /nfs/dbraw/zinc/91/77/01/570917701.db2.gz QXOHBQHQRRPSKO-HXUWFJFHSA-N 1 0 389.499 4.125 50 0 GIAARO CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000032927857 570939404 /nfs/dbraw/zinc/93/94/04/570939404.db2.gz FVKVIIWERYFTRL-IBGZPJMESA-N 1 0 395.547 4.452 50 0 GIAARO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012977913 570947999 /nfs/dbraw/zinc/94/79/99/570947999.db2.gz BOELZLLRPCWHHR-JKSUJKDBSA-N 1 0 385.895 4.018 50 0 GIAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000252477864 570966423 /nfs/dbraw/zinc/96/64/23/570966423.db2.gz WQYVKMTWYWANPX-SJORKVTESA-N 1 0 375.488 4.238 50 0 GIAARO C[C@H]1CCC[N@H+](CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000033312167 570970702 /nfs/dbraw/zinc/97/07/02/570970702.db2.gz ZWDUFULJKYVMOO-HNNXBMFYSA-N 1 0 394.357 4.425 50 0 GIAARO CCN(C(=O)Nc1ccc2c(c1)OCCO2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000107151078 570971863 /nfs/dbraw/zinc/97/18/63/570971863.db2.gz YIFOZCADIQZFJR-XLIONFOSSA-N 1 0 395.503 4.147 50 0 GIAARO CCN(C(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000107151075 570971901 /nfs/dbraw/zinc/97/19/01/570971901.db2.gz YIFOZCADIQZFJR-YLJYHZDGSA-N 1 0 395.503 4.147 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccs1 ZINC000012729346 570973555 /nfs/dbraw/zinc/97/35/55/570973555.db2.gz OSXDKVDVUDAUIR-LJQANCHMSA-N 1 0 393.512 4.033 50 0 GIAARO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000011344613 570976758 /nfs/dbraw/zinc/97/67/58/570976758.db2.gz AWPZIEORZVCFHW-KRWDZBQOSA-N 1 0 387.483 4.231 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000045438895 570990955 /nfs/dbraw/zinc/99/09/55/570990955.db2.gz UDOJDANEBBAALC-IEBWSBKVSA-N 1 0 397.485 4.380 50 0 GIAARO Cc1c2cc(F)ccc2sc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000053092112 570994407 /nfs/dbraw/zinc/99/44/07/570994407.db2.gz QSRCUPDDTOZZJO-UHFFFAOYSA-N 1 0 383.492 4.138 50 0 GIAARO O=C(/C=C/c1ccccc1Cl)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252570633 570995883 /nfs/dbraw/zinc/99/58/83/570995883.db2.gz XAHYBIGYCZGZBF-AATRIKPKSA-N 1 0 378.969 4.077 50 0 GIAARO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000060816905 570997228 /nfs/dbraw/zinc/99/72/28/570997228.db2.gz GTFVWGIMCUPOOY-UHFFFAOYSA-N 1 0 396.531 4.075 50 0 GIAARO CCCOc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000170654903 570999679 /nfs/dbraw/zinc/99/96/79/570999679.db2.gz PWJTXWXSQISESL-CTNGQTDRSA-N 1 0 396.531 4.024 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012754627 571006694 /nfs/dbraw/zinc/00/66/94/571006694.db2.gz WJQIVFQJAXBRHA-UHFFFAOYSA-N 1 0 394.906 4.256 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1Br ZINC000007686962 571016253 /nfs/dbraw/zinc/01/62/53/571016253.db2.gz SWZVKKBUGYWYRE-OAHLLOKOSA-N 1 0 379.323 4.078 50 0 GIAARO O[C@H](C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000084522230 571021265 /nfs/dbraw/zinc/02/12/65/571021265.db2.gz FICNGSBHBDMXFG-WOJBJXKFSA-N 1 0 379.422 4.184 50 0 GIAARO COc1cc(C[NH+]2CCC(N(C(=O)C(C)C)c3ccccc3)CC2)cc(OC)c1 ZINC000037560291 571031762 /nfs/dbraw/zinc/03/17/62/571031762.db2.gz VTIJQRDYJWRRFX-UHFFFAOYSA-N 1 0 396.531 4.357 50 0 GIAARO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000084718325 571033016 /nfs/dbraw/zinc/03/30/16/571033016.db2.gz SAAZBRKPVOBQMP-JOCHJYFZSA-N 1 0 383.511 4.377 50 0 GIAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccccc1Br ZINC000012784289 571037819 /nfs/dbraw/zinc/03/78/19/571037819.db2.gz LJNSSEVJUUMMGH-UHFFFAOYSA-N 1 0 391.309 4.422 50 0 GIAARO Nc1n(Cc2ccccc2)c2ccccc2[n+]1CC(=O)c1ccc(Cl)cc1 ZINC000001241496 817375838 /nfs/dbraw/zinc/37/58/38/817375838.db2.gz PGOVVWIRBBVHPO-UHFFFAOYSA-O 1 0 376.867 4.096 50 0 GIAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000002942633 817407427 /nfs/dbraw/zinc/40/74/27/817407427.db2.gz ZZAZHFYLWKJNNT-LBPRGKRZSA-N 1 0 394.300 4.271 50 0 GIAARO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccncc1 ZINC000003049912 817415457 /nfs/dbraw/zinc/41/54/57/817415457.db2.gz COVYUOJUWGGYOP-HNNXBMFYSA-N 1 0 376.957 4.365 50 0 GIAARO COc1ccc(NC(=S)N[C@H](C)[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000003211486 817421837 /nfs/dbraw/zinc/42/18/37/817421837.db2.gz PRNFUCRCPWUKRP-RDTXWAMCSA-N 1 0 375.563 4.269 50 0 GIAARO Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc1C ZINC000004193207 817510014 /nfs/dbraw/zinc/51/00/14/817510014.db2.gz FCMSCFOAKUCLTG-UHFFFAOYSA-N 1 0 387.483 4.480 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000057473963 823301088 /nfs/dbraw/zinc/30/10/88/823301088.db2.gz GTNSKFBAZNNUQA-JOCHJYFZSA-N 1 0 376.504 4.415 50 0 GIAARO CC[N@@H+](Cc1cc(=O)oc2cc(C)c(Cl)cc12)C[C@@H]1COc2ccccc2O1 ZINC000057451287 823299043 /nfs/dbraw/zinc/29/90/43/823299043.db2.gz AEMGZXJTDIVNAA-MRXNPFEDSA-N 1 0 399.874 4.417 50 0 GIAARO c1ccc(C[N@@H+]2CC[C@H](Nc3nc(-c4cccnc4)nc4ccccc43)C2)cc1 ZINC000007980988 817975055 /nfs/dbraw/zinc/97/50/55/817975055.db2.gz OKJPMYNMTKATPR-FQEVSTJZSA-N 1 0 381.483 4.378 50 0 GIAARO Cc1ccc(C(=O)CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000008013112 817982757 /nfs/dbraw/zinc/98/27/57/817982757.db2.gz XAFFNIVLLPPKCL-UHFFFAOYSA-N 1 0 378.516 4.179 50 0 GIAARO Cc1nn(CC(C)C)c2sc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc12 ZINC000008037847 817987878 /nfs/dbraw/zinc/98/78/78/817987878.db2.gz RXCJPASKUJQLOJ-UHFFFAOYSA-N 1 0 376.570 4.101 50 0 GIAARO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008073957 817994134 /nfs/dbraw/zinc/99/41/34/817994134.db2.gz SOCVHXZQYBLRNO-INIZCTEOSA-N 1 0 391.540 4.454 50 0 GIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000057557637 823309652 /nfs/dbraw/zinc/30/96/52/823309652.db2.gz ALKGKWKXDBPOKX-UHFFFAOYSA-N 1 0 389.474 4.400 50 0 GIAARO O=C(CCc1cccnc1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012195394 818146235 /nfs/dbraw/zinc/14/62/35/818146235.db2.gz UXEWVHJNBXLCII-XMMPIXPASA-N 1 0 383.580 4.299 50 0 GIAARO CC(C)C[N@@H+]1CCOc2ccc(C3(O)CCN(c4ccccc4F)CC3)cc2C1 ZINC000012247792 818148592 /nfs/dbraw/zinc/14/85/92/818148592.db2.gz XVLIQPATAJJODR-UHFFFAOYSA-N 1 0 398.522 4.164 50 0 GIAARO CN(C)c1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012306179 818153729 /nfs/dbraw/zinc/15/37/29/818153729.db2.gz CRUKWRSNLJCXMX-XMMPIXPASA-N 1 0 395.522 4.020 50 0 GIAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCCC[C@H]3CCCO)ccc2c1 ZINC000012302885 818153855 /nfs/dbraw/zinc/15/38/55/818153855.db2.gz NBMWERYCOMGFOA-NRFANRHFSA-N 1 0 379.504 4.366 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1Cl ZINC000012308062 818153895 /nfs/dbraw/zinc/15/38/95/818153895.db2.gz NEZOFZLQKNVHFZ-UHFFFAOYSA-N 1 0 395.894 4.021 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1cccnc1 ZINC000012386633 818156567 /nfs/dbraw/zinc/15/65/67/818156567.db2.gz LPMLDTYSXFVSHV-UHFFFAOYSA-N 1 0 395.894 4.021 50 0 GIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012448915 818161052 /nfs/dbraw/zinc/16/10/52/818161052.db2.gz YTAIYKVBXAOVGX-NRFANRHFSA-N 1 0 385.511 4.391 50 0 GIAARO CCc1noc(C)c1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012597216 818169868 /nfs/dbraw/zinc/16/98/68/818169868.db2.gz PYYHMLDMPCZXSD-XMMPIXPASA-N 1 0 395.547 4.106 50 0 GIAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2=O)c1 ZINC000012715264 818177787 /nfs/dbraw/zinc/17/77/87/818177787.db2.gz ZWUVQDZRNRMAOR-JOCHJYFZSA-N 1 0 384.545 4.080 50 0 GIAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2nc(-c3cccs3)no2)[C@H]2CCCC[C@@H]21 ZINC000014949018 818278851 /nfs/dbraw/zinc/27/88/51/818278851.db2.gz QTKROCRCXXNBHN-NPPFBWRTSA-N 1 0 395.528 4.450 50 0 GIAARO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000176969362 823337978 /nfs/dbraw/zinc/33/79/78/823337978.db2.gz OWBXVSUAOQXIRJ-ZDUSSCGKSA-N 1 0 383.970 4.010 50 0 GIAARO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000176969346 823338135 /nfs/dbraw/zinc/33/81/35/823338135.db2.gz OWBXVSUAOQXIRJ-CYBMUJFWSA-N 1 0 383.970 4.010 50 0 GIAARO Cc1ncc2c(c1-c1noc(C[C@@H](c3ccco3)c3ccccc3)n1)CC[NH2+]C2 ZINC000020996344 818645768 /nfs/dbraw/zinc/64/57/68/818645768.db2.gz PTLGCRSOPPZRBQ-LJQANCHMSA-N 1 0 386.455 4.053 50 0 GIAARO COc1cc2[nH+]c(NCCc3ccc(OC)c(OC)c3)cc(C)c2c(OC)c1 ZINC000022022939 818764982 /nfs/dbraw/zinc/76/49/82/818764982.db2.gz DSFNOSBSPMWKMN-UHFFFAOYSA-N 1 0 382.460 4.232 50 0 GIAARO OC1(c2ccc(Br)cc2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000023282651 818920200 /nfs/dbraw/zinc/92/02/00/818920200.db2.gz OILMYNCOJBGIHH-UHFFFAOYSA-N 1 0 385.305 4.414 50 0 GIAARO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(-c2nc(-c3ccco3)cc(=O)[nH]2)c1 ZINC000023478732 818944403 /nfs/dbraw/zinc/94/44/03/818944403.db2.gz ADSKHFQMOCMPHS-OAHLLOKOSA-N 1 0 375.428 4.483 50 0 GIAARO C[NH+](C)CCNC(=O)C[C@](C)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000031813882 820864590 /nfs/dbraw/zinc/86/45/90/820864590.db2.gz WNQXJWRFMJCWSY-SFHVURJKSA-N 1 0 384.467 4.141 50 0 GIAARO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000032441337 820944106 /nfs/dbraw/zinc/94/41/06/820944106.db2.gz PXUWSDAAKWRMDO-OUKQBFOZSA-N 1 0 392.952 4.271 50 0 GIAARO COc1cc(C[NH+]2CCC(Cn3c(C)nc4ccccc43)CC2)cc(OC)c1 ZINC000038488541 821096849 /nfs/dbraw/zinc/09/68/49/821096849.db2.gz RIPZOYXVECTUEY-UHFFFAOYSA-N 1 0 379.504 4.274 50 0 GIAARO Cc1ccc(-c2ccccc2CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)o1 ZINC000039437852 821106152 /nfs/dbraw/zinc/10/61/52/821106152.db2.gz CPZMVVIDTMJTDY-HXUWFJFHSA-N 1 0 396.556 4.385 50 0 GIAARO COc1cccc([C@H](CNC(=O)c2ccc(SC(F)F)cc2)[NH+](C)C)c1 ZINC000040047270 821127890 /nfs/dbraw/zinc/12/78/90/821127890.db2.gz QLUZLUBRCVCMKY-KRWDZBQOSA-N 1 0 380.460 4.043 50 0 GIAARO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000040112308 821140149 /nfs/dbraw/zinc/14/01/49/821140149.db2.gz VYIXWNNSBFDOEJ-INIZCTEOSA-N 1 0 393.531 4.004 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000040112652 821140477 /nfs/dbraw/zinc/14/04/77/821140477.db2.gz YHSVRUJIDHFMJO-GOSISDBHSA-N 1 0 380.536 4.134 50 0 GIAARO COc1ccc(CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1F ZINC000040121402 821143117 /nfs/dbraw/zinc/14/31/17/821143117.db2.gz IDVGUURFJOPUNV-ROUUACIJSA-N 1 0 398.522 4.171 50 0 GIAARO Cn1ccnc1COc1ccc(C[N@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000040135430 821146581 /nfs/dbraw/zinc/14/65/81/821146581.db2.gz UIXCPQMVVBQZNP-UHFFFAOYSA-N 1 0 385.895 4.163 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000040157102 821151984 /nfs/dbraw/zinc/15/19/84/821151984.db2.gz QADIBGOPSADQQB-ZIAGYGMSSA-N 1 0 393.380 4.030 50 0 GIAARO Clc1ccc(Cl)c(OCC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000180866673 821502373 /nfs/dbraw/zinc/50/23/73/821502373.db2.gz KVGPLRVEBLFXLY-ZDUSSCGKSA-N 1 0 381.307 4.178 50 0 GIAARO O[C@@H](C[NH2+]Cc1c(C2CC2)nc2sccn12)c1cccc(C(F)(F)F)c1 ZINC000181780287 821989293 /nfs/dbraw/zinc/98/92/93/821989293.db2.gz PFUWCUUYGCOPGQ-HNNXBMFYSA-N 1 0 381.423 4.115 50 0 GIAARO O[C@H](C[NH2+]Cc1c(C2CC2)nc2sccn12)c1cccc(C(F)(F)F)c1 ZINC000181780265 821989326 /nfs/dbraw/zinc/98/93/26/821989326.db2.gz PFUWCUUYGCOPGQ-OAHLLOKOSA-N 1 0 381.423 4.115 50 0 GIAARO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181945724 822042483 /nfs/dbraw/zinc/04/24/83/822042483.db2.gz SGZNHUHAAWGJPV-HXUWFJFHSA-N 1 0 386.442 4.073 50 0 GIAARO O=C(N[C@@H](CC1CCC1)c1ccccc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000180592351 822707319 /nfs/dbraw/zinc/70/73/19/822707319.db2.gz ZTWMGGQIZXSKQF-QHCPKHFHSA-N 1 0 392.547 4.277 50 0 GIAARO CCC[N@H+](Cc1ccc2c[nH]nc2c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000124719803 823620739 /nfs/dbraw/zinc/62/07/39/823620739.db2.gz OECDXTLQRDYYAM-UHFFFAOYSA-N 1 0 376.504 4.080 50 0 GIAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000575548773 823976482 /nfs/dbraw/zinc/97/64/82/823976482.db2.gz DGWLPSUUKHVPBN-LJQANCHMSA-N 1 0 376.504 4.347 50 0 GIAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000575559438 823977434 /nfs/dbraw/zinc/97/74/34/823977434.db2.gz OVWNENWGHNLYAS-SFHVURJKSA-N 1 0 390.531 4.422 50 0 GIAARO CC1(C)Cc2c3c(ncn4nc(Cc5ccccc5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019461719 210252655 /nfs/dbraw/zinc/25/26/55/210252655.db2.gz WNNGTNDNJMYQSE-UHFFFAOYSA-N 1 0 377.517 4.089 50 0 GIAARO COc1ccc(Br)cc1CN1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000019361731 210244306 /nfs/dbraw/zinc/24/43/06/210244306.db2.gz ZKHVGRLKKHRXRK-YJBOKZPZSA-N 1 0 381.358 4.154 50 0 GIAARO Cc1cc(C(F)(F)F)cc(-c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)n1 ZINC000426415442 231217278 /nfs/dbraw/zinc/21/72/78/231217278.db2.gz PCBYVMZVWJVGFS-QGZVFWFLSA-N 1 0 377.410 4.029 50 0 GIAARO Cc1cc(C(F)(F)F)cc(-c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2)n1 ZINC000426415436 231217343 /nfs/dbraw/zinc/21/73/43/231217343.db2.gz PCBYVMZVWJVGFS-KRWDZBQOSA-N 1 0 377.410 4.029 50 0 GIAARO COc1ccc(-c2ccc(C(=O)N3CC[NH+](CC4CCC4)CC3)cc2)cc1C ZINC000426606826 231246362 /nfs/dbraw/zinc/24/63/62/231246362.db2.gz XLLFTPKLEXNEFR-UHFFFAOYSA-N 1 0 378.516 4.229 50 0 GIAARO O[C@@](C[NH2+]Cc1ccccc1)(c1ccccc1)c1ccc(Br)cc1 ZINC000019205328 210229869 /nfs/dbraw/zinc/22/98/69/210229869.db2.gz FAZOMQARKCSJRS-NRFANRHFSA-N 1 0 382.301 4.475 50 0 GIAARO Cc1cc(C)nc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3C3CCOCC3)s2)c1 ZINC000019110799 210225676 /nfs/dbraw/zinc/22/56/76/210225676.db2.gz IMCJTLYHQHTLAF-QGZVFWFLSA-N 1 0 385.533 4.328 50 0 GIAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)c(C)o1 ZINC000019111963 210224780 /nfs/dbraw/zinc/22/47/80/210224780.db2.gz XVISCZZQDSZHCO-SFHVURJKSA-N 1 0 399.535 4.129 50 0 GIAARO COc1cccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000017311912 210210017 /nfs/dbraw/zinc/21/00/17/210210017.db2.gz ZWTFFKJDQUVGFW-UHFFFAOYSA-N 1 0 384.483 4.292 50 0 GIAARO CCOc1cc2c(cc1OCC)CN(Cc1nc(-c3ccc(C)cc3)no1)CC2 ZINC000016418681 210189000 /nfs/dbraw/zinc/18/90/00/210189000.db2.gz FBXHFENOHZXCGY-UHFFFAOYSA-N 1 0 393.487 4.401 50 0 GIAARO Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)cc1C ZINC000015772724 210167503 /nfs/dbraw/zinc/16/75/03/210167503.db2.gz FSHHPJWETQPTIN-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO CN(C(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000015067616 210148895 /nfs/dbraw/zinc/14/88/95/210148895.db2.gz PCWCHWPQGYKJSB-FQEVSTJZSA-N 1 0 386.923 4.120 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)c(-c2cccc(Cl)c2)n1 ZINC000015068473 210147590 /nfs/dbraw/zinc/14/75/90/210147590.db2.gz XLGOWSSFDCHHSE-OAQYLSRUSA-N 1 0 396.922 4.317 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@@H]2CCCO2)cc1F ZINC000015064883 210145106 /nfs/dbraw/zinc/14/51/06/210145106.db2.gz JAJDKXVQOZLUMC-IBGZPJMESA-N 1 0 395.478 4.264 50 0 GIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccccc1F ZINC000014965882 210135418 /nfs/dbraw/zinc/13/54/18/210135418.db2.gz OXPXXWSXUYABOX-FQEVSTJZSA-N 1 0 398.522 4.251 50 0 GIAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCc1ccccc1 ZINC000014963951 210133313 /nfs/dbraw/zinc/13/33/13/210133313.db2.gz MOGHSWNMMMWAQZ-FQEVSTJZSA-N 1 0 390.449 4.419 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CC[C@H](C)C3)[NH+]2CCCC2)cc1 ZINC000014701031 210122835 /nfs/dbraw/zinc/12/28/35/210122835.db2.gz WKPNCKXXQVJSLT-OXJNMPFZSA-N 1 0 398.572 4.448 50 0 GIAARO CC(C)Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000014141736 210104842 /nfs/dbraw/zinc/10/48/42/210104842.db2.gz OBWUNQVYARPBSL-KRWDZBQOSA-N 1 0 393.531 4.067 50 0 GIAARO Cc1ccc(-c2c[n+](CC(=O)Nc3cccc(Cl)c3C)c3n2CCC3)cc1 ZINC000013769083 210090766 /nfs/dbraw/zinc/09/07/66/210090766.db2.gz HWSLGWMTWHZPOU-UHFFFAOYSA-O 1 0 380.899 4.298 50 0 GIAARO CCc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000013636799 210074368 /nfs/dbraw/zinc/07/43/68/210074368.db2.gz LQSPYJANHXSNPP-HWBMXIPRSA-N 1 0 390.527 4.196 50 0 GIAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4nccnc34)C2)cc1C ZINC000013594383 210071154 /nfs/dbraw/zinc/07/11/54/210071154.db2.gz GSTBMCZYAYCRFB-LJQANCHMSA-N 1 0 389.499 4.350 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)ccc1F)c1cccc(OC)c1 ZINC000012751297 210000503 /nfs/dbraw/zinc/00/05/03/210000503.db2.gz GWQJLLXGNJIXQX-LJQANCHMSA-N 1 0 378.875 4.301 50 0 GIAARO C[C@H](C[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1)c1ccccc1 ZINC000012597324 209984593 /nfs/dbraw/zinc/98/45/93/209984593.db2.gz MBELHNVTEVEZOM-GOSISDBHSA-N 1 0 380.536 4.452 50 0 GIAARO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c(C)o1 ZINC000012471357 209962648 /nfs/dbraw/zinc/96/26/48/209962648.db2.gz ZSTHCILFGSAEFR-XMMPIXPASA-N 1 0 380.532 4.457 50 0 GIAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)CC(C)C)c1 ZINC000012298243 209929903 /nfs/dbraw/zinc/92/99/03/209929903.db2.gz PLRHZJRQJDLBGW-UHFFFAOYSA-N 1 0 388.552 4.209 50 0 GIAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000012031396 209898932 /nfs/dbraw/zinc/89/89/32/209898932.db2.gz MFTPLTOCTXTVLS-UHFFFAOYSA-N 1 0 398.478 4.448 50 0 GIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000005200826 209580167 /nfs/dbraw/zinc/58/01/67/209580167.db2.gz NUGCVVWWLICSCL-RUDMXATFSA-N 1 0 390.314 4.397 50 0 GIAARO CCCC[NH2+][C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1-c1ccc(OC)cc1 ZINC000004732244 209519074 /nfs/dbraw/zinc/51/90/74/209519074.db2.gz RGKXPOWHEJHMRA-AWEZNQCLSA-N 1 0 385.895 4.498 50 0 GIAARO COc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)cc1Cl ZINC000002934217 209397948 /nfs/dbraw/zinc/39/79/48/209397948.db2.gz ZLYZRQJETYDCSZ-AWEZNQCLSA-N 1 0 392.956 4.065 50 0 GIAARO CC(C)c1nc2oc3c(ncnc3NCCC[NH+](C)C)c2c2c1COC(C)(C)C2 ZINC000002356682 209359011 /nfs/dbraw/zinc/35/90/11/209359011.db2.gz MFFFOTLMQAAQPB-UHFFFAOYSA-N 1 0 397.523 4.109 50 0 GIAARO CC[NH+](CC)CCNc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 ZINC000002296154 209354613 /nfs/dbraw/zinc/35/46/13/209354613.db2.gz ILOAGDMTKLORQP-UHFFFAOYSA-N 1 0 399.564 4.153 50 0 GIAARO CC(C)(C)[NH2+][C@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000001170899 209310469 /nfs/dbraw/zinc/31/04/69/209310469.db2.gz MHJPTSNUUIOCHW-LEWJYISDSA-N 1 0 380.513 4.302 50 0 GIAARO CCC1=[NH+]c2ccc(Br)cc2[C@H](c2ccccc2)N1CC(=O)OC ZINC000000975194 209285352 /nfs/dbraw/zinc/28/53/52/209285352.db2.gz HPGFBGDSTCAFDU-IBGZPJMESA-N 1 0 387.277 4.467 50 0 GIAARO O=C(COc1ccccc1-c1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009496262 209275944 /nfs/dbraw/zinc/27/59/44/209275944.db2.gz PQESSJIZBKZKJH-QFIPXVFZSA-N 1 0 386.495 4.123 50 0 GIAARO COc1cccc(C(=O)N2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000034697781 209247074 /nfs/dbraw/zinc/24/70/74/209247074.db2.gz SNTHEBVKMDAMMN-ISKFKSNPSA-N 1 0 392.543 4.345 50 0 GIAARO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)o2)c1 ZINC000027572782 209191936 /nfs/dbraw/zinc/19/19/36/209191936.db2.gz RJNZOEHTMMEVHE-IEBWSBKVSA-N 1 0 390.487 4.457 50 0 GIAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccncc2)cs1 ZINC000004916246 212065059 /nfs/dbraw/zinc/06/50/59/212065059.db2.gz FUIKLHKXWWGMNL-BLLLJJGKSA-N 1 0 382.411 4.212 50 0 GIAARO COc1ccccc1OCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299795595 212039696 /nfs/dbraw/zinc/03/96/96/212039696.db2.gz OSHHBBBFQRGVCN-OTWHNJEPSA-N 1 0 391.471 4.350 50 0 GIAARO COc1ccccc1Oc1ccccc1NC(=O)NCC12CCC[NH+]1CCC2 ZINC000299780061 212036821 /nfs/dbraw/zinc/03/68/21/212036821.db2.gz RSLZDILQSBTNGO-UHFFFAOYSA-N 1 0 381.476 4.237 50 0 GIAARO CSc1ccc2c(C)cc(-c3cccc(C(=O)N4CC[C@@H]([NH3+])C4)c3)nc2c1 ZINC000299769269 212033907 /nfs/dbraw/zinc/03/39/07/212033907.db2.gz LFYRGARCTBWBNY-QGZVFWFLSA-N 1 0 377.513 4.105 50 0 GIAARO CSc1ccc2c(C)cc(-c3cccc(C(=O)N4CC[C@H]([NH3+])C4)c3)nc2c1 ZINC000299769267 212032267 /nfs/dbraw/zinc/03/22/67/212032267.db2.gz LFYRGARCTBWBNY-KRWDZBQOSA-N 1 0 377.513 4.105 50 0 GIAARO CSCCC(=O)NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000244690958 211975960 /nfs/dbraw/zinc/97/59/60/211975960.db2.gz JADAIJHVGXHCJT-UHFFFAOYSA-N 1 0 382.573 4.090 50 0 GIAARO COc1ccc2sc(N(CCC[NH+](C)C)C(=O)C3CCCCC3)nc2c1 ZINC000004359796 211542881 /nfs/dbraw/zinc/54/28/81/211542881.db2.gz BXNSJEPSHIZDAY-UHFFFAOYSA-N 1 0 375.538 4.170 50 0 GIAARO C[N@@H+]1CCCN(C(=O)c2ccccc2Oc2cccc(Br)c2)CC1 ZINC000097464202 211363957 /nfs/dbraw/zinc/36/39/57/211363957.db2.gz SGJJKDONFSRFDN-UHFFFAOYSA-N 1 0 389.293 4.019 50 0 GIAARO Cc1nn(C)c(Oc2cccnc2)c1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000097032513 211356044 /nfs/dbraw/zinc/35/60/44/211356044.db2.gz ZRHMGGJMFWXXMV-OAQYLSRUSA-N 1 0 377.492 4.428 50 0 GIAARO C[C@@H](CCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000097016637 211354481 /nfs/dbraw/zinc/35/44/81/211354481.db2.gz TUSYKBNVQFVSGR-IFXJQAMLSA-N 1 0 398.890 4.218 50 0 GIAARO Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCCC[NH+]2CCCCCC2)o1 ZINC000096324150 211335208 /nfs/dbraw/zinc/33/52/08/211335208.db2.gz MHPHAZYZNQENCK-UHFFFAOYSA-N 1 0 396.491 4.096 50 0 GIAARO O=C(NCc1ccncc1)c1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000096280597 211330201 /nfs/dbraw/zinc/33/02/01/211330201.db2.gz ARRTVLYTHOBFHA-UHFFFAOYSA-N 1 0 399.538 4.466 50 0 GIAARO COc1ccc(NC(=O)c2cccc3[nH]cc(C[NH+]4CCCC4)c32)c(OC)c1 ZINC000096363695 211336648 /nfs/dbraw/zinc/33/66/48/211336648.db2.gz OLXFWNBOTCADGE-UHFFFAOYSA-N 1 0 379.460 4.033 50 0 GIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3c(C)noc3C)CC2)C1 ZINC000096165454 211316536 /nfs/dbraw/zinc/31/65/36/211316536.db2.gz RPDIRALSNMXZEL-HXUWFJFHSA-N 1 0 381.520 4.023 50 0 GIAARO CC1(C)[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000096009167 211295200 /nfs/dbraw/zinc/29/52/00/211295200.db2.gz NQTRESXYLUTSBX-BHIFYINESA-N 1 0 378.516 4.476 50 0 GIAARO Cc1ccc(-c2nc(C[N@H+](Cc3ccccc3)CC3(O)CCOCC3)co2)cc1 ZINC000095968335 211289109 /nfs/dbraw/zinc/28/91/09/211289109.db2.gz PPPMPAZCDCLTCD-UHFFFAOYSA-N 1 0 392.499 4.194 50 0 GIAARO C[C@H]([NH2+]C1(CNC(=O)c2csc3c2CCCC3)CCOCC1)c1ccccc1 ZINC000095959172 211288158 /nfs/dbraw/zinc/28/81/58/211288158.db2.gz UFTQNONQLGEAPZ-KRWDZBQOSA-N 1 0 398.572 4.257 50 0 GIAARO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)NCCc1nc2ccccc2s1 ZINC000095941406 211284725 /nfs/dbraw/zinc/28/47/25/211284725.db2.gz QUHANVLSAYSEBN-QZTJIDSGSA-N 1 0 397.519 4.020 50 0 GIAARO C[C@@H]1CCCN1C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095519240 211265240 /nfs/dbraw/zinc/26/52/40/211265240.db2.gz VNGJTIHGJPERRC-HXUWFJFHSA-N 1 0 392.543 4.397 50 0 GIAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000095389762 211236843 /nfs/dbraw/zinc/23/68/43/211236843.db2.gz LBTQCUUWDXPFGP-IBGZPJMESA-N 1 0 382.504 4.094 50 0 GIAARO O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095381528 211231096 /nfs/dbraw/zinc/23/10/96/211231096.db2.gz NBLIRUWQCWVYHL-SFHVURJKSA-N 1 0 377.410 4.101 50 0 GIAARO COc1cc(Cl)ccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095364572 211224902 /nfs/dbraw/zinc/22/49/02/211224902.db2.gz JDDZYXQOICXPHI-IEBWSBKVSA-N 1 0 384.907 4.085 50 0 GIAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cncn3C3CCCCC3)C2)CN1CC1CC1 ZINC000091551009 211197275 /nfs/dbraw/zinc/19/72/75/211197275.db2.gz MLHFXRAZUDLARU-HSZRJFAPSA-N 1 0 384.568 4.003 50 0 GIAARO c1ccc(COC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 ZINC000089836673 211185743 /nfs/dbraw/zinc/18/57/43/211185743.db2.gz JOMIZDAGPXTUOF-XMMPIXPASA-N 1 0 381.516 4.426 50 0 GIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C1 ZINC000091486054 211194792 /nfs/dbraw/zinc/19/47/92/211194792.db2.gz VSYXTJAPQVGEDB-QFIPXVFZSA-N 1 0 377.532 4.122 50 0 GIAARO COCC[NH2+]Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040733323 211181604 /nfs/dbraw/zinc/18/16/04/211181604.db2.gz YXGXFMFTPGVWIA-UHFFFAOYSA-N 1 0 394.309 4.081 50 0 GIAARO COCCn1cc(CCCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000079491762 211157984 /nfs/dbraw/zinc/15/79/84/211157984.db2.gz IKXUPTYUCYOJAM-UHFFFAOYSA-N 1 0 399.579 4.036 50 0 GIAARO Cc1ccc(CNc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)o1 ZINC000072475724 211124928 /nfs/dbraw/zinc/12/49/28/211124928.db2.gz KGSNLBIPRLPVQQ-UHFFFAOYSA-N 1 0 382.895 4.313 50 0 GIAARO COc1ccc(OC)c2nc(-c3ccc(Cl)cc3)c(C[N@@H+]3CC[C@@H](O)C3)cc12 ZINC000072478605 211124371 /nfs/dbraw/zinc/12/43/71/211124371.db2.gz XLKJVXFLNNBHDT-QGZVFWFLSA-N 1 0 398.890 4.139 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CC[C@H]([NH+](C)C)C1 ZINC000072424096 211116694 /nfs/dbraw/zinc/11/66/94/211116694.db2.gz ACGKFIPPVJEAOD-IBGZPJMESA-N 1 0 396.485 4.262 50 0 GIAARO C[NH+]1CCC(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)CC1 ZINC000071775007 211062349 /nfs/dbraw/zinc/06/23/49/211062349.db2.gz GRPSNQINOVZQLQ-INIZCTEOSA-N 1 0 382.470 4.218 50 0 GIAARO CN(C)N1c2cc(Cl)ccc2[C@](CC[NH+](C)C)(c2ccc(Cl)cc2)C1=O ZINC000071767292 211060628 /nfs/dbraw/zinc/06/06/28/211060628.db2.gz LAUTYBKAVHYHMG-FQEVSTJZSA-N 1 0 392.330 4.054 50 0 GIAARO OCCOc1ccccc1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000071762496 211059628 /nfs/dbraw/zinc/05/96/28/211059628.db2.gz QWRBOXSXFVGNBW-KRWDZBQOSA-N 1 0 375.459 4.181 50 0 GIAARO COc1ncc(C[N@@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000071662426 211052257 /nfs/dbraw/zinc/05/22/57/211052257.db2.gz VNPAQWVTUKWVOT-OAHLLOKOSA-N 1 0 379.426 4.349 50 0 GIAARO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071524189 211048678 /nfs/dbraw/zinc/04/86/78/211048678.db2.gz CBVFIERJVQDETE-FQEVSTJZSA-N 1 0 381.520 4.233 50 0 GIAARO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CCCn2ccnc2C)CCO3)s1 ZINC000067975279 211031952 /nfs/dbraw/zinc/03/19/52/211031952.db2.gz ZTAGBYDNNHTHMH-UHFFFAOYSA-N 1 0 383.517 4.219 50 0 GIAARO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067856848 211027687 /nfs/dbraw/zinc/02/76/87/211027687.db2.gz HTSVUYBLLFRESJ-ZHRRBRCNSA-N 1 0 388.515 4.002 50 0 GIAARO Cc1ccccc1-c1ncc(C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)s1 ZINC000067446575 211009472 /nfs/dbraw/zinc/00/94/72/211009472.db2.gz XIKHEVKWMKOIKM-UHFFFAOYSA-N 1 0 379.460 4.389 50 0 GIAARO COc1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)c4ccc(OC)c(F)c4)CC3)c2c1 ZINC000066436465 211002803 /nfs/dbraw/zinc/00/28/03/211002803.db2.gz QRRYEPRVXTZHFX-JOCHJYFZSA-N 1 0 398.478 4.237 50 0 GIAARO CCn1nc(C)c(C[NH2+][C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)c1C ZINC000055182454 210882445 /nfs/dbraw/zinc/88/24/45/210882445.db2.gz XAOIFSIZTPDYTK-HNNXBMFYSA-N 1 0 384.572 4.238 50 0 GIAARO Cc1ccc(CCCC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000048285918 210849784 /nfs/dbraw/zinc/84/97/84/210849784.db2.gz SYFHTILYAOVNRQ-NHCUHLMSSA-N 1 0 394.559 4.243 50 0 GIAARO CCOc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1ccccc1C ZINC000040744319 210792979 /nfs/dbraw/zinc/79/29/79/210792979.db2.gz ACBMDGMTCOJQLX-UHFFFAOYSA-N 1 0 377.912 4.488 50 0 GIAARO CC1CC[NH+](CCCCNC(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000040146742 210778172 /nfs/dbraw/zinc/77/81/72/210778172.db2.gz HXNLVSYFSPPNQQ-UHFFFAOYSA-N 1 0 383.561 4.475 50 0 GIAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCC3)n2Cc2cccc(F)c2)s1 ZINC000037587860 210744551 /nfs/dbraw/zinc/74/45/51/210744551.db2.gz PGDNLPVJMVSWPJ-UHFFFAOYSA-N 1 0 385.508 4.024 50 0 GIAARO O=C(Cc1ccccc1Cl)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000036350642 210720217 /nfs/dbraw/zinc/72/02/17/210720217.db2.gz IWGXDIDEUPTEAU-IBGZPJMESA-N 1 0 377.315 4.489 50 0 GIAARO Cc1ccccc1-n1nnnc1C1([NH+]2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000035170780 210676332 /nfs/dbraw/zinc/67/63/32/210676332.db2.gz OJDBGHAQQPRZAB-UHFFFAOYSA-N 1 0 377.536 4.108 50 0 GIAARO COc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C ZINC000026120982 210492606 /nfs/dbraw/zinc/49/26/06/210492606.db2.gz YNTXJQUSUVDGOC-UHFFFAOYSA-N 1 0 392.503 4.066 50 0 GIAARO COc1ccc([C@@H](CC(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccc2)cc1 ZINC000012193477 210458545 /nfs/dbraw/zinc/45/85/45/210458545.db2.gz YUEBXBTXGMVDRL-DEOSSOPVSA-N 1 0 392.543 4.304 50 0 GIAARO C[NH+](C)CCN[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000022039583 210403607 /nfs/dbraw/zinc/40/36/07/210403607.db2.gz ZMCCXUOTSABWOS-QGZVFWFLSA-N 1 0 399.844 4.190 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccccc1 ZINC000021805527 210394999 /nfs/dbraw/zinc/39/49/99/210394999.db2.gz VCHMNHKKRZBXFO-QFIPXVFZSA-N 1 0 389.499 4.253 50 0 GIAARO CCCCC[C@@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170108 210380808 /nfs/dbraw/zinc/38/08/08/210380808.db2.gz RJELKSWVSZXBSD-DNQXCXABSA-N 1 0 383.532 4.276 50 0 GIAARO CCOc1cc(CNCCC[NH2+]C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874917 210364387 /nfs/dbraw/zinc/36/43/87/210364387.db2.gz TYTGSNQSJSOWMJ-UHFFFAOYSA-N 1 0 376.928 4.325 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020720073 210357308 /nfs/dbraw/zinc/35/73/08/210357308.db2.gz JMVGIBFBKBWXGW-SFHVURJKSA-N 1 0 398.528 4.055 50 0 GIAARO COc1cc(C[NH2+][C@@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1 ZINC000020477151 210340576 /nfs/dbraw/zinc/34/05/76/210340576.db2.gz SJSVHBIGZBAXFI-HXUWFJFHSA-N 1 0 386.923 4.111 50 0 GIAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000020406700 210330352 /nfs/dbraw/zinc/33/03/52/210330352.db2.gz NUCXVUSYXVBYRR-UHFFFAOYSA-N 1 0 383.319 4.232 50 0 GIAARO O[C@@H](CSc1cccc(Cl)c1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020385246 210331682 /nfs/dbraw/zinc/33/16/82/210331682.db2.gz PTLBRGFSIHPASR-GOSISDBHSA-N 1 0 397.371 4.269 50 0 GIAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000020119371 210317962 /nfs/dbraw/zinc/31/79/62/210317962.db2.gz NDDYQLLHERQXBV-QFIPXVFZSA-N 1 0 379.479 4.172 50 0 GIAARO O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019831790 210300527 /nfs/dbraw/zinc/30/05/27/210300527.db2.gz OHBHQBZFBLILCF-QFIPXVFZSA-N 1 0 396.918 4.055 50 0 GIAARO Clc1cccc(CN2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000019888972 210304659 /nfs/dbraw/zinc/30/46/59/210304659.db2.gz IKBIUFSHOGLTSY-UHFFFAOYSA-N 1 0 383.967 4.122 50 0 GIAARO Clc1ccc(-c2n[nH]c3c2CN(C2CC[NH+](Cc4ccco4)CC2)CC3)cc1 ZINC000011820293 221129731 /nfs/dbraw/zinc/12/97/31/221129731.db2.gz JUPBPZNLYOYTOZ-UHFFFAOYSA-N 1 0 396.922 4.346 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2)cc1 ZINC000011840729 221130315 /nfs/dbraw/zinc/13/03/15/221130315.db2.gz CLEVQXZVMKSBGM-XMMPIXPASA-N 1 0 377.532 4.333 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)cc1 ZINC000011840731 221130480 /nfs/dbraw/zinc/13/04/80/221130480.db2.gz CLEVQXZVMKSBGM-DEOSSOPVSA-N 1 0 377.532 4.333 50 0 GIAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000011840795 221131162 /nfs/dbraw/zinc/13/11/62/221131162.db2.gz KYQHDWBVZXYREI-DEOSSOPVSA-N 1 0 379.500 4.277 50 0 GIAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000011838389 221131369 /nfs/dbraw/zinc/13/13/69/221131369.db2.gz UTORYZYVFXBPCS-KRWDZBQOSA-N 1 0 398.478 4.305 50 0 GIAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C3CCCCCC3)C2)CC1 ZINC000055211723 132444493 /nfs/dbraw/zinc/44/44/93/132444493.db2.gz TVPUEFXLLAXUTN-QFIPXVFZSA-N 1 0 383.580 4.078 50 0 GIAARO Cc1c2cc(Cl)ccc2oc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000095459031 136179269 /nfs/dbraw/zinc/17/92/69/136179269.db2.gz UKXOVIXBOYWDRJ-UHFFFAOYSA-N 1 0 383.879 4.436 50 0 GIAARO Cc1cc(N2CCC([NH2+]C[C@H](c3ccccc3C)N(C)C)CC2)nc(C(C)C)n1 ZINC000095527551 136181712 /nfs/dbraw/zinc/18/17/12/136181712.db2.gz TWMHCRJHLMCIFV-JOCHJYFZSA-N 1 0 395.595 4.078 50 0 GIAARO COc1ccc([C@@H](CNC(=O)N2CCCc3cc(C)ccc32)[NH+]2CCCC2)cc1 ZINC000012909609 136200797 /nfs/dbraw/zinc/20/07/97/136200797.db2.gz ZTFXKLQPRMHHMJ-HSZRJFAPSA-N 1 0 393.531 4.303 50 0 GIAARO Cc1nc([C@H](C)NC(=O)N(C)CC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000426420085 534594244 /nfs/dbraw/zinc/59/42/44/534594244.db2.gz KFRQATDDQXQCEP-INIZCTEOSA-N 1 0 386.565 4.066 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)/C=C/c1ccco1 ZINC000012763064 523044145 /nfs/dbraw/zinc/04/41/45/523044145.db2.gz GIQRYUFCCRLANK-VYENPZKTSA-N 1 0 386.923 4.359 50 0 GIAARO Cc1ccccc1-c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000426574950 534791694 /nfs/dbraw/zinc/79/16/94/534791694.db2.gz CYIUKSWFDIIZMV-JOCHJYFZSA-N 1 0 378.516 4.035 50 0 GIAARO Cc1ccccc1OC1CCN(C(=O)c2ccc(-c3cc(N)cc[nH+]3)cc2)CC1 ZINC000426538044 534825543 /nfs/dbraw/zinc/82/55/43/534825543.db2.gz DZCLVDOEJOVAGJ-UHFFFAOYSA-N 1 0 387.483 4.323 50 0 GIAARO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)cc1)C(C)C ZINC000078726033 528775581 /nfs/dbraw/zinc/77/55/81/528775581.db2.gz GZGCXHSMZWANPE-UHFFFAOYSA-N 1 0 377.492 4.263 50 0 GIAARO CC1(C)C[C@H](C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)CCO1 ZINC000072440207 535366915 /nfs/dbraw/zinc/36/69/15/535366915.db2.gz FSLDMZWBLLWAGP-LJQANCHMSA-N 1 0 394.563 4.270 50 0 GIAARO COc1ccc2cc(C[NH2+]Cc3cc(C)nc(N4CCCCC4)n3)ccc2c1 ZINC000095450136 537034825 /nfs/dbraw/zinc/03/48/25/537034825.db2.gz MFGCSJVTHNPBLI-UHFFFAOYSA-N 1 0 376.504 4.227 50 0 GIAARO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048255067 570224050 /nfs/dbraw/zinc/22/40/50/570224050.db2.gz BJNNEJNMKJNPJS-CALCHBBNSA-N 1 0 388.556 4.079 50 0 GIAARO Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000048364851 570245292 /nfs/dbraw/zinc/24/52/92/570245292.db2.gz CLQLFUGZNFEOBI-NRFANRHFSA-N 1 0 395.482 4.053 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000048366400 570246284 /nfs/dbraw/zinc/24/62/84/570246284.db2.gz XDQVCZNPCFVPBD-UHFFFAOYSA-N 1 0 387.483 4.268 50 0 GIAARO CCc1ccc(N2C(=O)C[C@H]([NH2+]CC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000001288026 570260459 /nfs/dbraw/zinc/26/04/59/570260459.db2.gz RBOLCDLCRARKTC-DEOSSOPVSA-N 1 0 398.506 4.303 50 0 GIAARO Cc1nc(-c2ccccc2F)sc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000012296612 570293959 /nfs/dbraw/zinc/29/39/59/570293959.db2.gz YLTOHZVDYJFKAP-MAUKXSAKSA-N 1 0 387.524 4.252 50 0 GIAARO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000012921300 570294476 /nfs/dbraw/zinc/29/44/76/570294476.db2.gz JOXKEYMFUDVADS-MRXNPFEDSA-N 1 0 378.472 4.316 50 0 GIAARO CC(C)=CC(=O)Nc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nc1 ZINC000034682001 570300110 /nfs/dbraw/zinc/30/01/10/570300110.db2.gz CNVAXVKQJOFSFP-UHFFFAOYSA-N 1 0 398.938 4.352 50 0 GIAARO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000034683335 570300949 /nfs/dbraw/zinc/30/09/49/570300949.db2.gz QFLWXYCIUVNBQB-UHFFFAOYSA-N 1 0 380.532 4.256 50 0 GIAARO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022074922 570304974 /nfs/dbraw/zinc/30/49/74/570304974.db2.gz PICHFGJIRBKKPM-UHFFFAOYSA-N 1 0 383.319 4.232 50 0 GIAARO COCCNC(=O)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739879 570327324 /nfs/dbraw/zinc/32/73/24/570327324.db2.gz DTICTTJHWJCJNO-PZJWPPBQSA-N 1 0 386.923 4.056 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000050028027 570328573 /nfs/dbraw/zinc/32/85/73/570328573.db2.gz XRYBTGAGLPNSOK-KRWDZBQOSA-N 1 0 385.895 4.149 50 0 GIAARO COc1cc(C[NH2+]CCOc2ccccn2)cc(Cl)c1OCc1ccccc1 ZINC000113395802 570330907 /nfs/dbraw/zinc/33/09/07/570330907.db2.gz ANIUEYFVPUFALD-UHFFFAOYSA-N 1 0 398.890 4.491 50 0 GIAARO CCCOc1ccc(C[NH2+]CCCOc2ccccn2)cc1Br ZINC000113396508 570331427 /nfs/dbraw/zinc/33/14/27/570331427.db2.gz PFFIDAWFXMJWJN-UHFFFAOYSA-N 1 0 379.298 4.192 50 0 GIAARO CC1(C)C[C@@]2(CCCN(CC[N@@H+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1 ZINC000022924282 570336208 /nfs/dbraw/zinc/33/62/08/570336208.db2.gz VOSHMDSOMREFNT-PSWAGMNNSA-N 1 0 392.628 4.329 50 0 GIAARO CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000024022939 570342673 /nfs/dbraw/zinc/34/26/73/570342673.db2.gz GPYUHONIRWSMSG-QFIPXVFZSA-N 1 0 384.520 4.102 50 0 GIAARO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023074988 570342730 /nfs/dbraw/zinc/34/27/30/570342730.db2.gz BTHZOKWZOILXDE-NRFANRHFSA-N 1 0 389.499 4.228 50 0 GIAARO CC[NH+](CC)CCOC(=O)[C@H](Cc1cccc2ccccc21)C[C@@H]1CCCO1 ZINC000003831172 570351008 /nfs/dbraw/zinc/35/10/08/570351008.db2.gz KBAFPSLPKGSANY-YADHBBJMSA-N 1 0 383.532 4.453 50 0 world GIAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000237436498 570359224 /nfs/dbraw/zinc/35/92/24/570359224.db2.gz IUGXBDUSQGCUDN-RYUDHWBXSA-N 1 0 398.359 4.245 50 0 GIAARO O[C@@H](c1ccccn1)C1CC[NH+](Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000023380523 570359493 /nfs/dbraw/zinc/35/94/93/570359493.db2.gz LGDOSXPNUGCRNN-HSZRJFAPSA-N 1 0 388.471 4.164 50 0 GIAARO CCC[C@H](O)C[N@H+](CCOC)Cc1cccn1Cc1ccc(C(C)(C)C)cc1 ZINC000004907716 570361473 /nfs/dbraw/zinc/36/14/73/570361473.db2.gz WGPRHHBJYIOBHA-QHCPKHFHSA-N 1 0 386.580 4.443 50 0 GIAARO O[C@H](C[NH2+]C[C@H]1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004192514 570362360 /nfs/dbraw/zinc/36/23/60/570362360.db2.gz VWROENVTHCVTHF-HZPDHXFCSA-N 1 0 393.314 4.231 50 0 aggregator GIAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1ccccc1)C(C)C ZINC000010930394 570372680 /nfs/dbraw/zinc/37/26/80/570372680.db2.gz BONFMOYEPHXOGE-UHFFFAOYSA-N 1 0 376.504 4.338 50 0 GIAARO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C[C@H](O)c1ccccc1)CC2 ZINC000023908563 570375058 /nfs/dbraw/zinc/37/50/58/570375058.db2.gz FJFFCYJYGDSGJR-WMZHIEFXSA-N 1 0 395.524 4.446 50 0 GIAARO Brc1ccc(OCc2ccccc2)c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000004657491 570390071 /nfs/dbraw/zinc/39/00/71/570390071.db2.gz PREAXUKGCQUJBJ-SFHVURJKSA-N 1 0 376.294 4.297 50 0 GIAARO Brc1ccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000004744579 570401360 /nfs/dbraw/zinc/40/13/60/570401360.db2.gz RGEKVKDFAMKIKN-UHFFFAOYSA-N 1 0 385.349 4.472 50 0 GIAARO CC(C)c1cc(C(=O)NCC2([NH+](C)C)CCCCC2)c2cnn(C(C)C)c2n1 ZINC000024991460 570402404 /nfs/dbraw/zinc/40/24/04/570402404.db2.gz NAAQNWWITYAOBW-UHFFFAOYSA-N 1 0 385.556 4.130 50 0 GIAARO Cc1cc(C)c2nc(C)cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c2c1 ZINC000033252879 570403307 /nfs/dbraw/zinc/40/33/07/570403307.db2.gz HEMKLNFRGOADNW-UHFFFAOYSA-N 1 0 375.516 4.412 50 0 GIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1nc(Cl)ccc1Cl ZINC000121167715 570403625 /nfs/dbraw/zinc/40/36/25/570403625.db2.gz OXBFFPRFHOVLFY-CJNGLKHVSA-N 1 0 376.287 4.145 50 0 GIAARO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000004784523 570405632 /nfs/dbraw/zinc/40/56/32/570405632.db2.gz HNWXBSYLTKXPJH-HSZRJFAPSA-N 1 0 390.527 4.362 50 0 GIAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000004786608 570405710 /nfs/dbraw/zinc/40/57/10/570405710.db2.gz BGNVUYNDYLQLPV-UHFFFAOYSA-N 1 0 377.440 4.293 50 0 GIAARO Cc1cccc2c1-c1sc(C(=O)N(CC[NH+](C)C)Cc3ccco3)cc1CO2 ZINC000005050022 570405844 /nfs/dbraw/zinc/40/58/44/570405844.db2.gz ULXJKGQJFCAJGN-UHFFFAOYSA-N 1 0 396.512 4.413 50 0 GIAARO CC[C@@H](C)[N@H+](CCNC(=O)c1cc(C)nn1-c1ccccc1)C1CCCCC1 ZINC000005058700 570408360 /nfs/dbraw/zinc/40/83/60/570408360.db2.gz KSWYGEQSCTYHHF-LJQANCHMSA-N 1 0 382.552 4.344 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3OC)=NN12 ZINC000005093603 570415719 /nfs/dbraw/zinc/41/57/19/570415719.db2.gz HATSPIFVBIEQDP-FQEVSTJZSA-N 1 0 377.488 4.051 50 0 GIAARO CC(C)[NH+](CCCNC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1)C(C)C ZINC000025584639 570416554 /nfs/dbraw/zinc/41/65/54/570416554.db2.gz MWRYRMPGEFLKIR-UHFFFAOYSA-N 1 0 398.334 4.486 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cccnc1Sc1ccccc1)c1cccs1 ZINC000025664387 570417639 /nfs/dbraw/zinc/41/76/39/570417639.db2.gz WWUADCDVPDYYNV-QGZVFWFLSA-N 1 0 383.542 4.327 50 0 GIAARO Cc1nc(COc2cccc(C(=O)N[C@H]3CC[C@@H]([NH+]4CCCCC4)C3)c2)cs1 ZINC000390832637 570426836 /nfs/dbraw/zinc/42/68/36/570426836.db2.gz SQYWQLRCLMDDRL-AZUAARDMSA-N 1 0 399.560 4.167 50 0 GIAARO C[C@@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000032951970 570428385 /nfs/dbraw/zinc/42/83/85/570428385.db2.gz WUKSIMROLFDTMM-GOSISDBHSA-N 1 0 392.609 4.117 50 0 GIAARO CC1(C)CC(NS(=O)(=O)c2ccc(Cl)c3ccccc32)CC(C)(C)[NH2+]1 ZINC000026844880 570429146 /nfs/dbraw/zinc/42/91/46/570429146.db2.gz WEVAQBWDJFZZPW-UHFFFAOYSA-N 1 0 380.941 4.081 50 0 GIAARO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000239667646 570430408 /nfs/dbraw/zinc/43/04/08/570430408.db2.gz BQZYCSZDBNSNBU-JVPBZIDWSA-N 1 0 386.467 4.096 50 0 GIAARO COc1cccc([C@@H](CNC(=O)c2ccc(Cl)cc2F)[NH+]2CCCC2)c1 ZINC000027343132 570433348 /nfs/dbraw/zinc/43/33/48/570433348.db2.gz VZMYTLQLRSGAOX-LJQANCHMSA-N 1 0 376.859 4.055 50 0 GIAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1C ZINC000027581518 570436439 /nfs/dbraw/zinc/43/64/39/570436439.db2.gz CGSSWEIJGMHRPU-FQEVSTJZSA-N 1 0 386.923 4.289 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCCC2)cc1 ZINC000027581568 570436569 /nfs/dbraw/zinc/43/65/69/570436569.db2.gz MWYBYSOPODMXAV-HSZRJFAPSA-N 1 0 380.532 4.334 50 0 GIAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc1 ZINC000027662240 570438150 /nfs/dbraw/zinc/43/81/50/570438150.db2.gz UTXBCFRJGUMTKK-HSZRJFAPSA-N 1 0 396.531 4.441 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CC1 ZINC000011949593 570450230 /nfs/dbraw/zinc/45/02/30/570450230.db2.gz MZWPPNZJQUHINE-UHFFFAOYSA-N 1 0 392.528 4.204 50 0 GIAARO Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)c12 ZINC000156188949 570455491 /nfs/dbraw/zinc/45/54/91/570455491.db2.gz DKDQWMLLXNUNTD-IUODEOHRSA-N 1 0 398.894 4.051 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1C ZINC000028291542 570456002 /nfs/dbraw/zinc/45/60/02/570456002.db2.gz CGELTJBAFCBDFH-HXUWFJFHSA-N 1 0 386.561 4.333 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)cc1C ZINC000028290962 570456158 /nfs/dbraw/zinc/45/61/58/570456158.db2.gz LKGYQGGIDORKRX-QFIPXVFZSA-N 1 0 382.548 4.399 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4c(C)c(C)[nH]c43)cc2)CC1 ZINC000029798977 570480131 /nfs/dbraw/zinc/48/01/31/570480131.db2.gz YTXSIVQFXLTYPZ-UHFFFAOYSA-N 1 0 376.504 4.179 50 0 GIAARO c1cnn(Cc2ccccc2C[NH2+]Cc2cccc(OCc3ccccn3)c2)c1 ZINC000030629061 570492451 /nfs/dbraw/zinc/49/24/51/570492451.db2.gz VKOMGYXPCFJYPW-UHFFFAOYSA-N 1 0 384.483 4.195 50 0 GIAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccc(OCc2ccc(F)cc2)cc1 ZINC000061720467 570502976 /nfs/dbraw/zinc/50/29/76/570502976.db2.gz UPEDLYRJCFFGER-UPVQGACJSA-N 1 0 388.442 4.329 50 0 GIAARO Cc1ccc2occ(CN3CC[N@@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)c(=O)c2c1 ZINC000584904398 570504936 /nfs/dbraw/zinc/50/49/36/570504936.db2.gz CQCLHXBXXLTALA-GMAHTHKFSA-N 1 0 380.532 4.330 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1-n1cccc1 ZINC000032105621 570508840 /nfs/dbraw/zinc/50/88/40/570508840.db2.gz QNPPLGRZHSIERW-UHFFFAOYSA-N 1 0 377.463 4.011 50 0 GIAARO COc1ccc(CCCC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000078726131 570509108 /nfs/dbraw/zinc/50/91/08/570509108.db2.gz KBHTYKUVPYBMBA-UHFFFAOYSA-N 1 0 394.559 4.185 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000064657592 570512237 /nfs/dbraw/zinc/51/22/37/570512237.db2.gz SCTMHSQBXAOUSL-INIZCTEOSA-N 1 0 399.535 4.500 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+](C)C)cc1 ZINC000032623106 570512376 /nfs/dbraw/zinc/51/23/76/570512376.db2.gz XYHMTWUHYUULPW-OAQYLSRUSA-N 1 0 377.488 4.300 50 0 GIAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+](C)C)no2)cc1 ZINC000032622139 570512556 /nfs/dbraw/zinc/51/25/56/570512556.db2.gz PBBLQKHJSUYNTO-IBGZPJMESA-N 1 0 383.879 4.336 50 0 GIAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(C(=O)N4CCOCC4)cc3)c2c1 ZINC000000898016 570513557 /nfs/dbraw/zinc/51/35/57/570513557.db2.gz HQCKKCLWVDQHIQ-UHFFFAOYSA-N 1 0 375.472 4.376 50 0 GIAARO O=C(c1ccccc1F)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000072304631 570515530 /nfs/dbraw/zinc/51/55/30/570515530.db2.gz FNXUXNWKVHFTRC-KRWDZBQOSA-N 1 0 394.412 4.352 50 0 GIAARO Cc1cc(N2CCCC2)ccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043496307 570521356 /nfs/dbraw/zinc/52/13/56/570521356.db2.gz QXAHEIRFBNJTAH-UHFFFAOYSA-N 1 0 392.547 4.335 50 0 GIAARO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000072308201 570526548 /nfs/dbraw/zinc/52/65/48/570526548.db2.gz TZIHFAKMBLWSMZ-CYBMUJFWSA-N 1 0 394.338 4.065 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCc1ccccc1F ZINC000008326297 570528177 /nfs/dbraw/zinc/52/81/77/570528177.db2.gz IHYFIERXHWKXRY-INIZCTEOSA-N 1 0 381.875 4.317 50 0 GIAARO C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008535068 570533375 /nfs/dbraw/zinc/53/33/75/570533375.db2.gz GMFDBVJPPKFKDQ-GFCCVEGCSA-N 1 0 384.701 4.152 50 0 GIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)o1 ZINC000036097910 570535971 /nfs/dbraw/zinc/53/59/71/570535971.db2.gz ODXOMQKRKLAHPG-JOCHJYFZSA-N 1 0 383.463 4.307 50 0 GIAARO COCCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036097410 570536104 /nfs/dbraw/zinc/53/61/04/570536104.db2.gz WMQDUBRVBGZXGU-NRFANRHFSA-N 1 0 391.939 4.235 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)c1 ZINC000036098532 570536576 /nfs/dbraw/zinc/53/65/76/570536576.db2.gz JZGKFMPZWCLOGW-QHCPKHFHSA-N 1 0 379.475 4.440 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)Cc2ccccc2)c1OC ZINC000036103641 570540423 /nfs/dbraw/zinc/54/04/23/570540423.db2.gz VAKUMLUWPVPKCW-HSZRJFAPSA-N 1 0 391.511 4.310 50 0 GIAARO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC(C)(C)C1 ZINC000035083521 570549304 /nfs/dbraw/zinc/54/93/04/570549304.db2.gz AQXFPFUNXBPFNS-UIFIKXQLSA-N 1 0 394.987 4.054 50 0 GIAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000040107100 570556090 /nfs/dbraw/zinc/55/60/90/570556090.db2.gz MDUBIFMDGGDRLQ-SFHVURJKSA-N 1 0 375.516 4.259 50 0 GIAARO COc1cccc(NC(=O)N2CCC([N@H+](C)Cc3cccc(Cl)c3)CC2)c1 ZINC000006750539 570568372 /nfs/dbraw/zinc/56/83/72/570568372.db2.gz NSAIJZNBRYNRQA-UHFFFAOYSA-N 1 0 387.911 4.477 50 0 GIAARO CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C[C@H]1CCC[N@@H+]1CC ZINC000225410029 570571173 /nfs/dbraw/zinc/57/11/73/570571173.db2.gz VAOZQEDKEKCRPL-CYBMUJFWSA-N 1 0 392.758 4.392 50 0 GIAARO Clc1ccccc1Oc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000037357412 570571635 /nfs/dbraw/zinc/57/16/35/570571635.db2.gz XAWGQSISKNBLHU-UHFFFAOYSA-N 1 0 380.879 4.245 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1csc(C)n1 ZINC000011661778 570576926 /nfs/dbraw/zinc/57/69/26/570576926.db2.gz XVDHUTVPEJCKBT-UHFFFAOYSA-N 1 0 385.577 4.177 50 0 GIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000011664132 570577868 /nfs/dbraw/zinc/57/78/68/570577868.db2.gz JHZTVMGSGHAQGP-HSZRJFAPSA-N 1 0 379.479 4.033 50 0 GIAARO O=C(c1ccsc1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011665011 570578870 /nfs/dbraw/zinc/57/88/70/570578870.db2.gz TWVWEGMYJJQULQ-UHFFFAOYSA-N 1 0 383.561 4.440 50 0 GIAARO COc1ccc(C(=O)N(C)C2CCCCC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000011878168 570589745 /nfs/dbraw/zinc/58/97/45/570589745.db2.gz XQBHSEDVSWNUPG-UHFFFAOYSA-N 1 0 388.552 4.352 50 0 GIAARO O=C(C1CCCC1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000011954070 570595826 /nfs/dbraw/zinc/59/58/26/570595826.db2.gz XAQLFZWHTMIDFR-SFHVURJKSA-N 1 0 376.491 4.216 50 0 GIAARO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006790359 570595909 /nfs/dbraw/zinc/59/59/09/570595909.db2.gz PKVIUOPEBAKVQZ-RDPSFJRHSA-N 1 0 397.559 4.497 50 0 GIAARO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006790358 570596156 /nfs/dbraw/zinc/59/61/56/570596156.db2.gz PKVIUOPEBAKVQZ-YKSBVNFPSA-N 1 0 397.559 4.497 50 0 GIAARO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)O1 ZINC000011996524 570597473 /nfs/dbraw/zinc/59/74/73/570597473.db2.gz VDFONPYPGHTLAJ-QHCPKHFHSA-N 1 0 394.515 4.129 50 0 GIAARO CC[C@H](C)c1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000029552151 570598378 /nfs/dbraw/zinc/59/83/78/570598378.db2.gz KLQBJLPEMLBZGC-IBGZPJMESA-N 1 0 380.532 4.491 50 0 GIAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccc(F)cc1 ZINC000012036162 570599946 /nfs/dbraw/zinc/59/99/46/570599946.db2.gz QWELTVDHLRUBET-UHFFFAOYSA-N 1 0 392.474 4.250 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)cc1Cn1cccn1 ZINC000012051070 570600852 /nfs/dbraw/zinc/60/08/52/570600852.db2.gz UOXLQZMSMJBDBF-QFIPXVFZSA-N 1 0 394.494 4.156 50 0 GIAARO COc1cccc(C[NH2+]CCN(C)C)c1OCc1c(Cl)cccc1Cl ZINC000040719465 570604267 /nfs/dbraw/zinc/60/42/67/570604267.db2.gz ZULLCNGUTMABTJ-UHFFFAOYSA-N 1 0 383.319 4.232 50 0 GIAARO C[NH2+]CCCNCc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000040720374 570605287 /nfs/dbraw/zinc/60/52/87/570605287.db2.gz IAKDJKMIAYSOCT-UHFFFAOYSA-N 1 0 377.326 4.036 50 0 GIAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccsc2)CC1)N1CCCCC1 ZINC000012094272 570608157 /nfs/dbraw/zinc/60/81/57/570608157.db2.gz PGUKNADGLCGNRJ-UHFFFAOYSA-N 1 0 384.545 4.418 50 0 GIAARO Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]Cc2ccncc2)cc1 ZINC000040743621 570613184 /nfs/dbraw/zinc/61/31/84/570613184.db2.gz USXZHHLTJKGZJQ-UHFFFAOYSA-N 1 0 395.890 4.351 50 0 GIAARO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]CCCCO ZINC000040744303 570613752 /nfs/dbraw/zinc/61/37/52/570613752.db2.gz JSWGJFXEJBMJBA-UHFFFAOYSA-N 1 0 378.310 4.199 50 0 GIAARO OCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000040744882 570614201 /nfs/dbraw/zinc/61/42/01/570614201.db2.gz CNTJXLOFJWDTDA-UHFFFAOYSA-N 1 0 384.701 4.154 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3cccc(OC)c3)=NN12 ZINC000005500170 570614744 /nfs/dbraw/zinc/61/47/44/570614744.db2.gz WUYTUXQHKHIYLL-QFIPXVFZSA-N 1 0 391.515 4.359 50 0 GIAARO O=c1c2ccc(C(F)(F)F)cc2ncn1CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000042460234 570619995 /nfs/dbraw/zinc/61/99/95/570619995.db2.gz DJANTXHIBWKGJL-KBXCAEBGSA-N 1 0 379.426 4.070 50 0 GIAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000012194113 570622732 /nfs/dbraw/zinc/62/27/32/570622732.db2.gz IXLQCDDBXXHSRH-INIZCTEOSA-N 1 0 387.911 4.138 50 0 GIAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3cccc(F)c3n2)C1)c1cccs1 ZINC000012208831 570626363 /nfs/dbraw/zinc/62/63/63/570626363.db2.gz ZTEAHCGNUIIIMV-HNNXBMFYSA-N 1 0 383.492 4.077 50 0 GIAARO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000036345206 570627661 /nfs/dbraw/zinc/62/76/61/570627661.db2.gz UVXWOSXTBTUCIV-JOCHJYFZSA-N 1 0 379.479 4.235 50 0 GIAARO COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+](C)C(C)C)c1 ZINC000036345699 570628242 /nfs/dbraw/zinc/62/82/42/570628242.db2.gz CXEZCHYOSNKOLS-QHCPKHFHSA-N 1 0 393.531 4.330 50 0 GIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000012299886 570635179 /nfs/dbraw/zinc/63/51/79/570635179.db2.gz PIYQPVHKWZCDIR-DEOSSOPVSA-N 1 0 393.506 4.423 50 0 GIAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012299938 570635428 /nfs/dbraw/zinc/63/54/28/570635428.db2.gz FIIIVVFQSZVVSU-ZDUSSCGKSA-N 1 0 378.856 4.033 50 0 GIAARO CSCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000012301627 570636315 /nfs/dbraw/zinc/63/63/15/570636315.db2.gz JOYSZXYNHKWPRT-HXUWFJFHSA-N 1 0 385.533 4.420 50 0 GIAARO CCn1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cn1 ZINC000012308248 570640148 /nfs/dbraw/zinc/64/01/48/570640148.db2.gz YXSPXTYIPQIFOR-JOCHJYFZSA-N 1 0 395.595 4.345 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2-c2ccco2)CC1)C1CC1 ZINC000012316043 570641104 /nfs/dbraw/zinc/64/11/04/570641104.db2.gz KHKWNLQGWCCBRZ-UHFFFAOYSA-N 1 0 390.487 4.329 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000012373350 570648611 /nfs/dbraw/zinc/64/86/11/570648611.db2.gz YCCDWLJKIXEGQG-KRWDZBQOSA-N 1 0 397.469 4.330 50 0 GIAARO Cc1ccc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000012435665 570662120 /nfs/dbraw/zinc/66/21/20/570662120.db2.gz DKWHBBYZJWCVMN-UHFFFAOYSA-N 1 0 392.547 4.082 50 0 GIAARO C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)nnc2-c2ccccc2)C[C@H](C)[NH2+]1 ZINC000005528182 570663642 /nfs/dbraw/zinc/66/36/42/570663642.db2.gz SIDFCKYUJZRRSD-GASCZTMLSA-N 1 0 379.895 4.046 50 0 GIAARO Cc1cc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)ccc1Br ZINC000006877179 570667941 /nfs/dbraw/zinc/66/79/41/570667941.db2.gz BSYWDKFXDMJFPS-UHFFFAOYSA-N 1 0 394.357 4.487 50 0 GIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2)c1 ZINC000012454707 570668609 /nfs/dbraw/zinc/66/86/09/570668609.db2.gz WGBVHGWFBFFGIF-OAQYLSRUSA-N 1 0 388.508 4.024 50 0 GIAARO CCN(CC)C(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(C)c3)oc2C)CC1 ZINC000012455525 570669133 /nfs/dbraw/zinc/66/91/33/570669133.db2.gz YFWRIYDWJLJFOE-UHFFFAOYSA-N 1 0 399.535 4.047 50 0 GIAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)C[NH2+][C@H](C)c3ccccc3)ccc21 ZINC000012421902 570672593 /nfs/dbraw/zinc/67/25/93/570672593.db2.gz XSSCDLYTAFULIO-UZLBHIALSA-N 1 0 394.515 4.263 50 0 GIAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@](CO)(CCc3ccccc3)C1)CO2 ZINC000012471231 570672894 /nfs/dbraw/zinc/67/28/94/570672894.db2.gz KOZKNWPFUUCSOB-VWLOTQADSA-N 1 0 393.527 4.178 50 0 GIAARO c1cnn(-c2cccc(C[NH2+][C@H]3CCCN(c4nc5ccccc5s4)C3)c2)c1 ZINC000012479162 570674492 /nfs/dbraw/zinc/67/44/92/570674492.db2.gz HUXVOHSGRYGPSX-SFHVURJKSA-N 1 0 389.528 4.241 50 0 GIAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000055042404 570679988 /nfs/dbraw/zinc/67/99/88/570679988.db2.gz LOTOJLVEIKZPCB-KRWDZBQOSA-N 1 0 377.513 4.447 50 0 GIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000012571418 570680994 /nfs/dbraw/zinc/68/09/94/570680994.db2.gz BSYIIGICPBERST-UHFFFAOYSA-N 1 0 393.512 4.366 50 0 GIAARO Cc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)s1 ZINC000012572295 570681252 /nfs/dbraw/zinc/68/12/52/570681252.db2.gz BVSDGOHFFKJSAT-AWEZNQCLSA-N 1 0 397.466 4.112 50 0 GIAARO COc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1 ZINC000012576515 570682412 /nfs/dbraw/zinc/68/24/12/570682412.db2.gz ZOEUDFXNAGZEHO-JOCHJYFZSA-N 1 0 389.923 4.174 50 0 GIAARO CSCC[C@@H](C)[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000012587425 570685581 /nfs/dbraw/zinc/68/55/81/570685581.db2.gz FEIMGUFBZCWGTC-GOSISDBHSA-N 1 0 390.593 4.298 50 0 GIAARO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000016043235 570686429 /nfs/dbraw/zinc/68/64/29/570686429.db2.gz XPIMRLYLQKZKIJ-OEMFJLHTSA-N 1 0 394.515 4.002 50 0 GIAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N(Cc1nccs1)Cc1ccccc1 ZINC000055196380 570686781 /nfs/dbraw/zinc/68/67/81/570686781.db2.gz CTDAQEGODDOAHB-INIZCTEOSA-N 1 0 383.542 4.472 50 0 GIAARO C[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H]1COc2ccccc2O1 ZINC000055307296 570690726 /nfs/dbraw/zinc/69/07/26/570690726.db2.gz NFHOIWARLXPZPD-KRWDZBQOSA-N 1 0 375.428 4.095 50 0 GIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1F ZINC000055535423 570696173 /nfs/dbraw/zinc/69/61/73/570696173.db2.gz RSZJWIRCVVIWGH-UHFFFAOYSA-N 1 0 389.474 4.400 50 0 GIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1CO ZINC000012701507 570698960 /nfs/dbraw/zinc/69/89/60/570698960.db2.gz FBKLNFICPHVEBL-GOSISDBHSA-N 1 0 387.907 4.326 50 0 GIAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000012707119 570700662 /nfs/dbraw/zinc/70/06/62/570700662.db2.gz KLFFIFDYILBQJU-UHFFFAOYSA-N 1 0 375.896 4.089 50 0 GIAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4ncsc4c3)nc21 ZINC000004359235 570700693 /nfs/dbraw/zinc/70/06/93/570700693.db2.gz LSPUZLJQVZDQQX-UHFFFAOYSA-N 1 0 396.541 4.423 50 0 GIAARO COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000057263068 570701604 /nfs/dbraw/zinc/70/16/04/570701604.db2.gz BMHCRHJBQUMGFD-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO C[NH+](C)CCN(C(=O)CCc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000004359426 570701630 /nfs/dbraw/zinc/70/16/30/570701630.db2.gz WKJWEABEDQALTM-UHFFFAOYSA-N 1 0 389.471 4.102 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000012716670 570704991 /nfs/dbraw/zinc/70/49/91/570704991.db2.gz NRPVBZIIESAZJD-GOSISDBHSA-N 1 0 383.442 4.347 50 0 GIAARO C[NH+](C)CCCN(C(=O)Cc1ccccc1)c1nc2ccc(Cl)cc2s1 ZINC000004359658 570706182 /nfs/dbraw/zinc/70/61/82/570706182.db2.gz HFJFOUDLSCQPJJ-UHFFFAOYSA-N 1 0 387.936 4.477 50 0 GIAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)Nc1cc(F)ccc1F ZINC000012727143 570706742 /nfs/dbraw/zinc/70/67/42/570706742.db2.gz NCWUCGYSLILFFY-UHFFFAOYSA-N 1 0 377.410 4.138 50 0 GIAARO Cc1cc(C)n(-c2cccc(NC(=O)NC[C@H](C3CCCCC3)[NH+](C)C)c2)n1 ZINC000058086359 570708934 /nfs/dbraw/zinc/70/89/34/570708934.db2.gz KHBVVUSXYJOXEB-OAQYLSRUSA-N 1 0 383.540 4.121 50 0 GIAARO O=C(CCc1nc2ccccc2s1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000012783705 570712326 /nfs/dbraw/zinc/71/23/26/570712326.db2.gz IRXQQGXFWAPIKH-MRXNPFEDSA-N 1 0 385.558 4.244 50 0 GIAARO [NH2+]=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC1CCCC1 ZINC000058159562 570712402 /nfs/dbraw/zinc/71/24/02/570712402.db2.gz WBLZTMXFQZCYJU-UHFFFAOYSA-N 1 0 377.467 4.235 50 0 GIAARO Fc1ccc(Cn2nc(C[NH2+]CCc3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000247548135 570715724 /nfs/dbraw/zinc/71/57/24/570715724.db2.gz VDGSKWNXCAWYHJ-UHFFFAOYSA-N 1 0 386.474 4.465 50 0 GIAARO OCCOCC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000247735431 570716062 /nfs/dbraw/zinc/71/60/62/570716062.db2.gz KDEKBUGJXDPNSW-UHFFFAOYSA-N 1 0 393.314 4.095 50 0 GIAARO CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)nc2ccccc21 ZINC000248140472 570721088 /nfs/dbraw/zinc/72/10/88/570721088.db2.gz BQDGSRFPDRETLJ-FQEVSTJZSA-N 1 0 390.531 4.146 50 0 GIAARO Fc1ccc(OCc2noc(C[N@@H+]3CCC[C@H]3CCc3ccccc3)n2)cc1 ZINC000058277676 570724168 /nfs/dbraw/zinc/72/41/68/570724168.db2.gz HVYZZCYLVZREDZ-IBGZPJMESA-N 1 0 381.451 4.385 50 0 GIAARO CC[NH+](CC)CCn1ccc2cc(NC(=O)NCc3ccccc3OC)ccc21 ZINC000058282557 570724558 /nfs/dbraw/zinc/72/45/58/570724558.db2.gz KHSVTFLOTLKFAO-UHFFFAOYSA-N 1 0 394.519 4.313 50 0 GIAARO CC[N@H+](C)Cc1cccc(CNC(=O)CCc2ncc(-c3ccccc3)o2)c1 ZINC000058292498 570725001 /nfs/dbraw/zinc/72/50/01/570725001.db2.gz YPRYVJOSEDXZTM-UHFFFAOYSA-N 1 0 377.488 4.042 50 0 GIAARO COc1ccc(C)cc1NC(=O)CC[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000252478829 570727662 /nfs/dbraw/zinc/72/76/62/570727662.db2.gz AVPWJGGNAPXBLE-FQEVSTJZSA-N 1 0 381.520 4.215 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+](C)C1CCCCC1)C[C@H](C)CC2 ZINC000000955169 570737475 /nfs/dbraw/zinc/73/74/75/570737475.db2.gz JDMHAFMFARYOAH-CQSZACIVSA-N 1 0 392.565 4.253 50 0 GIAARO O[C@@H](COc1ccc(F)cc1)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000059387300 570738211 /nfs/dbraw/zinc/73/82/11/570738211.db2.gz KYHFRBXYYCJPJM-QGZVFWFLSA-N 1 0 383.385 4.249 50 0 GIAARO CC[C@H](Cn1cnc(-c2ccccc2)c1-c1cccc(O)c1)[NH+]1CCOCC1 ZINC000063856712 570751878 /nfs/dbraw/zinc/75/18/78/570751878.db2.gz DZQOIZIYRCRURB-HXUWFJFHSA-N 1 0 377.488 4.034 50 0 GIAARO COc1cc(C[N@H+](Cc2c(C)nn(C)c2C)C(C)C)cc(Cl)c1OC(C)=O ZINC000063885129 570752762 /nfs/dbraw/zinc/75/27/62/570752762.db2.gz DKQAKTVKCVAPSU-UHFFFAOYSA-N 1 0 393.915 4.035 50 0 GIAARO CCc1ccc(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCC[C@@H](CO)C2)o1 ZINC000065395625 570765551 /nfs/dbraw/zinc/76/55/51/570765551.db2.gz JETLAKNJPUGQOR-GOSISDBHSA-N 1 0 379.504 4.077 50 0 GIAARO Cc1nc(COc2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2)cs1 ZINC000007065605 570782663 /nfs/dbraw/zinc/78/26/63/570782663.db2.gz HRRWVFXYBOGLAM-UHFFFAOYSA-N 1 0 395.528 4.022 50 0 GIAARO Cc1csc2nc(C[N@H+](Cc3ccc(C(F)(F)F)cc3)C3CC3)cc(=O)n12 ZINC000032777451 570799952 /nfs/dbraw/zinc/79/99/52/570799952.db2.gz CKLYNVJAVFABMU-UHFFFAOYSA-N 1 0 393.434 4.248 50 0 GIAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(SC)cc1 ZINC000004679205 570825298 /nfs/dbraw/zinc/82/52/98/570825298.db2.gz FXSSMRROPPDKDA-UHFFFAOYSA-N 1 0 397.500 4.259 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2C)CC1 ZINC000012521671 570828271 /nfs/dbraw/zinc/82/82/71/570828271.db2.gz NGACUWJBHVFQGT-UHFFFAOYSA-N 1 0 380.467 4.010 50 0 GIAARO Cc1csc([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000065553714 570834338 /nfs/dbraw/zinc/83/43/38/570834338.db2.gz OBZRVCMGVGGFKO-VQTJNVASSA-N 1 0 383.561 4.417 50 0 GIAARO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000007486661 570850762 /nfs/dbraw/zinc/85/07/62/570850762.db2.gz XGUSHDHRGREEFZ-QGZVFWFLSA-N 1 0 395.503 4.151 50 0 GIAARO O=C(COc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492072 570854339 /nfs/dbraw/zinc/85/43/39/570854339.db2.gz WKEHZZVOZJEFQZ-UHFFFAOYSA-N 1 0 393.314 4.153 50 0 GIAARO CCOCCC[NH2+][C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000003305669 570854570 /nfs/dbraw/zinc/85/45/70/570854570.db2.gz ZBTIVTPZMLROGN-IBGZPJMESA-N 1 0 376.884 4.045 50 0 GIAARO CC[NH+](CC)CCNC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000033252399 570860865 /nfs/dbraw/zinc/86/08/65/570860865.db2.gz HLEOAMBKQKQGRR-UHFFFAOYSA-N 1 0 398.894 4.129 50 0 GIAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000023039748 570893290 /nfs/dbraw/zinc/89/32/90/570893290.db2.gz XSLRAGDIUHMHEV-UHFFFAOYSA-N 1 0 392.330 4.140 50 0 GIAARO Cc1csc2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)cc(=O)n12 ZINC000033268793 570893503 /nfs/dbraw/zinc/89/35/03/570893503.db2.gz LMKBGZSUAYZQPM-UHFFFAOYSA-N 1 0 375.497 4.267 50 0 GIAARO COCC1(NC(=O)c2ccc(-c3cccc4c(N)cc[nH+]c43)cc2)CCCC1 ZINC000534576005 570901264 /nfs/dbraw/zinc/90/12/64/570901264.db2.gz MNOZAPJVUOWAAK-UHFFFAOYSA-N 1 0 375.472 4.003 50 0 GIAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@@H]2CCCO2)c(C)c1 ZINC000105750443 570932486 /nfs/dbraw/zinc/93/24/86/570932486.db2.gz ZBCWLNGVSAPTBY-PKTZIBPZSA-N 1 0 383.532 4.033 50 0 GIAARO Cc1cc(C)c(OCCOCC[NH2+]Cc2ccccc2)c(Br)c1 ZINC000002822318 570933179 /nfs/dbraw/zinc/93/31/79/570933179.db2.gz OLTNLANUTJEPCO-UHFFFAOYSA-N 1 0 378.310 4.251 50 0 GIAARO Cc1cc(C)c(OCCOCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Br)c1 ZINC000002822864 570933269 /nfs/dbraw/zinc/93/32/69/570933269.db2.gz SIRQYOHQTBOJBG-IYBDPMFKSA-N 1 0 384.358 4.439 50 0 GIAARO Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C ZINC000032924233 570935664 /nfs/dbraw/zinc/93/56/64/570935664.db2.gz CXPQHIMMEDWDFO-FQEVSTJZSA-N 1 0 380.532 4.373 50 0 GIAARO CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H](C)c1cccc(OC)c1 ZINC000032927859 570939438 /nfs/dbraw/zinc/93/94/38/570939438.db2.gz FVKVIIWERYFTRL-LJQANCHMSA-N 1 0 395.547 4.452 50 0 GIAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccc(Cl)c2)C[C@@H]1C ZINC000252513171 570982625 /nfs/dbraw/zinc/98/26/25/570982625.db2.gz XTGAMMLNBCQPQQ-KXEYLTKFSA-N 1 0 392.971 4.290 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)c1cc2c(cc(C)cc2C)[nH]1)[NH+]1CCCC1 ZINC000012743001 570986986 /nfs/dbraw/zinc/98/69/86/570986986.db2.gz HHZFZJAQJUEJTD-JOCHJYFZSA-N 1 0 391.515 4.360 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)n(-c2ccc(C)cc2)n1 ZINC000015481955 570988928 /nfs/dbraw/zinc/98/89/28/570988928.db2.gz UPDYBRUAWHZSNJ-INIZCTEOSA-N 1 0 382.895 4.432 50 0 GIAARO CC(C)C[NH+]1CCC(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045462128 570991471 /nfs/dbraw/zinc/99/14/71/570991471.db2.gz LEBNKOUUJQCFKP-UHFFFAOYSA-N 1 0 380.536 4.087 50 0 GIAARO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000005044240 571046218 /nfs/dbraw/zinc/04/62/18/571046218.db2.gz BBLGUADRSONUJQ-KRWDZBQOSA-N 1 0 389.927 4.432 50 0 GIAARO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](CC3CC3)CC23CCCCC3)cc1F ZINC000409420526 823220735 /nfs/dbraw/zinc/22/07/35/823220735.db2.gz YBMPCTBXZMMLAX-QGZVFWFLSA-N 1 0 389.515 4.248 50 0 GIAARO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NN2CCOCC2)c1 ZINC000002974728 817409954 /nfs/dbraw/zinc/40/99/54/817409954.db2.gz FUSQZQPDCWHQGB-UHFFFAOYSA-N 1 0 385.471 4.055 50 0 GIAARO COc1cc(Cl)ccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccncc1 ZINC000003049865 817414982 /nfs/dbraw/zinc/41/49/82/817414982.db2.gz UVRCWCFPXQGDHD-AWEZNQCLSA-N 1 0 392.956 4.065 50 0 GIAARO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccncc1 ZINC000003049915 817415535 /nfs/dbraw/zinc/41/55/35/817415535.db2.gz COVYUOJUWGGYOP-OAHLLOKOSA-N 1 0 376.957 4.365 50 0 GIAARO COc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)cc1Cl ZINC000003049909 817415669 /nfs/dbraw/zinc/41/56/69/817415669.db2.gz BYIWVANEUDPIKF-CQSZACIVSA-N 1 0 392.956 4.065 50 0 GIAARO COc1ccccc1NC(=S)N(CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000003665528 817494163 /nfs/dbraw/zinc/49/41/63/817494163.db2.gz HYGHKARRCIOCTC-UHFFFAOYSA-N 1 0 387.549 4.363 50 0 GIAARO CCC[NH+](CCC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1 ZINC000004057552 817499323 /nfs/dbraw/zinc/49/93/23/817499323.db2.gz SREITWSGXSNLBY-UHFFFAOYSA-N 1 0 383.492 4.232 50 0 aggregator GIAARO Oc1ccc(-c2nnc(SCC[NH+]3CCCCC3)n2Cc2ccccc2)cc1 ZINC000004130549 817506326 /nfs/dbraw/zinc/50/63/26/817506326.db2.gz LKPADWYHKJTHMU-UHFFFAOYSA-N 1 0 394.544 4.277 50 0 GIAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@H+](Cc1cccc(F)c1)CC2 ZINC000004301878 817518746 /nfs/dbraw/zinc/51/87/46/817518746.db2.gz ORZUIMGMXAQGPX-OIBXWCBGSA-N 1 0 383.463 4.423 50 0 GIAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000005587158 817598525 /nfs/dbraw/zinc/59/85/25/817598525.db2.gz OHWNYQSDSYNAEV-MRXNPFEDSA-N 1 0 378.438 4.467 50 0 GIAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc(F)c1 ZINC000057322843 823279079 /nfs/dbraw/zinc/27/90/79/823279079.db2.gz GOHNKTWPKQYYAP-INIZCTEOSA-N 1 0 391.446 4.367 50 0 GIAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000057290219 823276212 /nfs/dbraw/zinc/27/62/12/823276212.db2.gz CVKKOXOCWWEAFX-INIZCTEOSA-N 1 0 396.487 4.416 50 0 GIAARO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007854562 817939833 /nfs/dbraw/zinc/93/98/33/817939833.db2.gz BXJKCGCJXLNCFG-WMZHIEFXSA-N 1 0 387.527 4.456 50 0 GIAARO O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007923721 817959936 /nfs/dbraw/zinc/95/99/36/817959936.db2.gz QTCLXKMOWBIWMA-UHFFFAOYSA-N 1 0 376.422 4.160 50 0 GIAARO O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007923732 817960074 /nfs/dbraw/zinc/96/00/74/817960074.db2.gz KKTWMLXKUDUFST-UHFFFAOYSA-N 1 0 377.315 4.448 50 0 GIAARO COc1ccccc1[C@@H](CNc1nc(C(F)(F)F)nc2ccccc21)[NH+](C)C ZINC000007989385 817977634 /nfs/dbraw/zinc/97/76/34/817977634.db2.gz MAEZHFBYVHNPBQ-MRXNPFEDSA-N 1 0 390.409 4.372 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]CCc1c[nH]cn1 ZINC000011820208 818123951 /nfs/dbraw/zinc/12/39/51/818123951.db2.gz WAAXEGXYCHSOER-UHFFFAOYSA-N 1 0 393.441 4.181 50 0 GIAARO Cc1cc(C)cc(NC(=O)[C@H]2CC23CC[NH+](Cc2ccc4c(c2)OCO4)CC3)c1 ZINC000011965454 818132830 /nfs/dbraw/zinc/13/28/30/818132830.db2.gz CVOFOVYWPNHWOI-HXUWFJFHSA-N 1 0 392.499 4.273 50 0 GIAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(C[C@@H]3C(=O)NCc3cccc(C)n3)CC2)o1 ZINC000012160685 818144229 /nfs/dbraw/zinc/14/42/29/818144229.db2.gz JQWWYMLULJMXLR-DYESRHJHSA-N 1 0 395.547 4.204 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)c1 ZINC000012315992 818154365 /nfs/dbraw/zinc/15/43/65/818154365.db2.gz LXLNXQFFDNOEPE-QHCPKHFHSA-N 1 0 382.504 4.033 50 0 GIAARO O=C(c1ccc2[nH]ccc2c1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012476855 818163237 /nfs/dbraw/zinc/16/32/37/818163237.db2.gz QKPKADVZVUUVMN-VWLOTQADSA-N 1 0 387.527 4.339 50 0 GIAARO CC1=C(CC[N@@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)C(C)(C)CCC1 ZINC000012570528 818166899 /nfs/dbraw/zinc/16/68/99/818166899.db2.gz QOSPUUGRLMFTCB-HXUWFJFHSA-N 1 0 376.585 4.254 50 0 GIAARO CCOCc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)ccc1OC ZINC000012593971 818169195 /nfs/dbraw/zinc/16/91/95/818169195.db2.gz NOYWGRMNWLPARU-DEOSSOPVSA-N 1 0 383.532 4.049 50 0 GIAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CCc1ccc(F)cc1)C3 ZINC000014988820 818280742 /nfs/dbraw/zinc/28/07/42/818280742.db2.gz PYLWIDGZKRVBCO-QGZVFWFLSA-N 1 0 399.535 4.087 50 0 GIAARO Cc1cc(NC(=O)NCCCN2CC[NH+](C3CCCCC3)CC2)ccc1Cl ZINC000020500673 818623730 /nfs/dbraw/zinc/62/37/30/818623730.db2.gz DZHBPRPEPBAOBR-UHFFFAOYSA-N 1 0 392.975 4.110 50 0 GIAARO C[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nc(COc2ccccc2)cc(=O)[nH]1 ZINC000023310425 818922630 /nfs/dbraw/zinc/92/26/30/818922630.db2.gz PYHYQKPECTULAW-KRWDZBQOSA-N 1 0 375.472 4.000 50 0 GIAARO OC1CC[NH+](Cc2ccccc2NCC2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000123101198 823462396 /nfs/dbraw/zinc/46/23/96/823462396.db2.gz MJFLLVJXPWKTBU-UHFFFAOYSA-N 1 0 384.907 4.185 50 0 GIAARO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C)c1 ZINC000040095386 821136364 /nfs/dbraw/zinc/13/63/64/821136364.db2.gz XKIQETHUEHXEKG-RTBURBONSA-N 1 0 381.520 4.234 50 0 GIAARO CC(=O)c1cc(CCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)oc1C ZINC000040107108 821139522 /nfs/dbraw/zinc/13/95/22/821139522.db2.gz QDWBITYHQPRDML-QGZVFWFLSA-N 1 0 396.531 4.272 50 0 GIAARO CCc1[nH]c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(C)c1C(=O)OC ZINC000040119470 821141648 /nfs/dbraw/zinc/14/16/48/821141648.db2.gz SZTXSQZOVOBPMQ-OAHLLOKOSA-N 1 0 397.519 4.299 50 0 GIAARO CC(C)(C)[C@H]([NH2+]CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc(F)cc1 ZINC000040149158 821149663 /nfs/dbraw/zinc/14/96/63/821149663.db2.gz XWTNDXJKLRMYDP-GOSISDBHSA-N 1 0 389.515 4.495 50 0 GIAARO CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC(CCC[NH+](C)C)CC3)c12 ZINC000179346260 822468685 /nfs/dbraw/zinc/46/86/85/822468685.db2.gz NPRNSEWTVNHDJZ-UHFFFAOYSA-N 1 0 398.551 4.247 50 0 GIAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC(=O)N1CCCC1)CCC2 ZINC000179361527 822471263 /nfs/dbraw/zinc/47/12/63/822471263.db2.gz SZUAPDBYKZJZMS-QFIPXVFZSA-N 1 0 378.516 4.163 50 0 GIAARO Cc1c(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)sc2cccc(F)c12 ZINC000190612695 823591517 /nfs/dbraw/zinc/59/15/17/823591517.db2.gz QSHPAZRDWMBJDV-KRWDZBQOSA-N 1 0 397.519 4.338 50 0 GIAARO COCCN(C)c1ccc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000191351349 823675430 /nfs/dbraw/zinc/67/54/30/823675430.db2.gz SGOARMAUUVEKHC-HXUWFJFHSA-N 1 0 381.520 4.090 50 0 GIAARO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000191855692 823796793 /nfs/dbraw/zinc/79/67/93/823796793.db2.gz QZFPMRMQVSVVME-AVRDEDQJSA-N 1 0 398.934 4.312 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@H](Cn3c(C)cnc3-c3ccccc3)C2)n1 ZINC000575547627 823976439 /nfs/dbraw/zinc/97/64/39/823976439.db2.gz NLCSQPNYOIAOMR-IBGZPJMESA-N 1 0 376.504 4.174 50 0 GIAARO CCOc1cc(-c2ccccc2)sc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127064097 824009739 /nfs/dbraw/zinc/00/97/39/824009739.db2.gz YSYFXIUDSPVWPJ-KRWDZBQOSA-N 1 0 384.545 4.372 50 0 GIAARO Brc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019363396 210245038 /nfs/dbraw/zinc/24/50/38/210245038.db2.gz DCJMNODLUBWXRL-NHCUHLMSSA-N 1 0 385.349 4.417 50 0 GIAARO Cc1ccc(SC2CCN(C(=O)c3ccc(C)c(OCC[NH3+])c3)CC2)cc1 ZINC000426412121 231216588 /nfs/dbraw/zinc/21/65/88/231216588.db2.gz CIRJVBNZSIQZFM-UHFFFAOYSA-N 1 0 384.545 4.038 50 0 GIAARO COc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1OC ZINC000019360234 210243085 /nfs/dbraw/zinc/24/30/85/210243085.db2.gz SNWIXCDQSWDRGO-UHFFFAOYSA-N 1 0 376.500 4.175 50 0 GIAARO COc1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCS3)cc1 ZINC000015973958 210180960 /nfs/dbraw/zinc/18/09/60/210180960.db2.gz FRNSVUYIRKUTPF-UHFFFAOYSA-N 1 0 388.310 4.309 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(Br)cc2)c2ccco2)CC1 ZINC000015860059 210175203 /nfs/dbraw/zinc/17/52/03/210175203.db2.gz KJQKSQQTVPFOSQ-KRWDZBQOSA-N 1 0 391.309 4.245 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860315 210174552 /nfs/dbraw/zinc/17/45/52/210174552.db2.gz BXHSGYVZFMSNEB-FQEVSTJZSA-N 1 0 384.520 4.173 50 0 GIAARO O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015336069 210155573 /nfs/dbraw/zinc/15/55/73/210155573.db2.gz HDTMRDBVVVNZPQ-SDNWHVSQSA-N 1 0 390.936 4.026 50 0 GIAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000015080666 210152579 /nfs/dbraw/zinc/15/25/79/210152579.db2.gz YSBFQNNGFKVDSV-OAQYLSRUSA-N 1 0 389.495 4.306 50 0 GIAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NCc1cccc2[nH]ccc21 ZINC000426513761 530001479 /nfs/dbraw/zinc/00/14/79/530001479.db2.gz UQRLRHCLTWWIJS-UHFFFAOYSA-N 1 0 376.504 4.105 50 0 GIAARO COc1cccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)c1OC ZINC000015073143 210151051 /nfs/dbraw/zinc/15/10/51/210151051.db2.gz JPUGNQPXLOVXIT-UHFFFAOYSA-N 1 0 383.532 4.301 50 0 GIAARO CCCCc1nc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)c[nH]1 ZINC000015075407 210151145 /nfs/dbraw/zinc/15/11/45/210151145.db2.gz WEFPLACGXIRMLD-HXUWFJFHSA-N 1 0 398.595 4.147 50 0 GIAARO Cc1nn(C)c(Cl)c1CN(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000015077595 210150340 /nfs/dbraw/zinc/15/03/40/210150340.db2.gz LBWIIVWYABDMKL-LJQANCHMSA-N 1 0 388.987 4.077 50 0 GIAARO CSC[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000015071160 210148432 /nfs/dbraw/zinc/14/84/32/210148432.db2.gz RYJHDHRRAWVDBA-CQSZACIVSA-N 1 0 392.956 4.177 50 0 GIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)CCc1cccnc1 ZINC000015064375 210145692 /nfs/dbraw/zinc/14/56/92/210145692.db2.gz TUMDDILRPULZJT-UHFFFAOYSA-N 1 0 399.966 4.081 50 0 GIAARO Cc1ccccc1[C@@H](CC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000015063433 210145244 /nfs/dbraw/zinc/14/52/44/210145244.db2.gz ZAOWOKKDACMSFM-DEOSSOPVSA-N 1 0 385.511 4.261 50 0 GIAARO CCSc1ncc(CN2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000015062209 210145256 /nfs/dbraw/zinc/14/52/56/210145256.db2.gz UXSLPGATTHBNRG-HSZRJFAPSA-N 1 0 396.604 4.119 50 0 GIAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccc(OCCO)cc2)c1 ZINC000014964819 210136797 /nfs/dbraw/zinc/13/67/97/210136797.db2.gz ZBODQCYXRUKPAV-QHCPKHFHSA-N 1 0 391.515 4.027 50 0 GIAARO COc1cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1F ZINC000014970546 210136625 /nfs/dbraw/zinc/13/66/25/210136625.db2.gz IZFOTMQYRBBLSH-GFCCVEGCSA-N 1 0 375.394 4.457 50 0 GIAARO O=C(c1ccc(OC2CC[NH+](C3CCSCC3)CC2)cc1)N1CCCCC1 ZINC000014971255 210136287 /nfs/dbraw/zinc/13/62/87/210136287.db2.gz PRAZSTVHQNXSTE-UHFFFAOYSA-N 1 0 388.577 4.052 50 0 GIAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000014955994 210134357 /nfs/dbraw/zinc/13/43/57/210134357.db2.gz ISLUBIWXNTWZFE-NRFANRHFSA-N 1 0 389.495 4.306 50 0 GIAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)c1cccc(Cl)c1 ZINC000014879208 210129610 /nfs/dbraw/zinc/12/96/10/210129610.db2.gz YHHOUXFWAVQTFD-NRFANRHFSA-N 1 0 398.934 4.284 50 0 GIAARO OC[C@@H]1CCCN(c2nc3cc(F)ccc3cc2C[NH2+]C2CCCCCC2)C1 ZINC000014880702 210129232 /nfs/dbraw/zinc/12/92/32/210129232.db2.gz HCWTUJKOSWNHPC-QGZVFWFLSA-N 1 0 385.527 4.395 50 0 GIAARO OC1(c2ccc3c(c2)C[N@H+](C2CCC2)CCO3)CCN(c2ccccc2F)CC1 ZINC000014883319 210128474 /nfs/dbraw/zinc/12/84/74/210128474.db2.gz TZWAPCWCLKFFKU-UHFFFAOYSA-N 1 0 396.506 4.061 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)cc1C ZINC000014532021 210119266 /nfs/dbraw/zinc/11/92/66/210119266.db2.gz BUWDIVSTRDUAGR-UHFFFAOYSA-N 1 0 399.579 4.357 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000014188627 210109178 /nfs/dbraw/zinc/10/91/78/210109178.db2.gz GHDLETITEKUNRR-UHFFFAOYSA-N 1 0 378.438 4.406 50 0 GIAARO COc1ccc([C@@H](CNC(=O)N[C@@H]2CCCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000014123620 210105094 /nfs/dbraw/zinc/10/50/94/210105094.db2.gz YLUVDRNXLYNMLD-DHIUTWEWSA-N 1 0 393.531 4.209 50 0 GIAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1 ZINC000014142422 210105137 /nfs/dbraw/zinc/10/51/37/210105137.db2.gz LDPNDYAVSWRSIP-HNNXBMFYSA-N 1 0 379.485 4.290 50 0 GIAARO Cc1c(C)n(-c2nc3ccccc3s2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000013550066 210067014 /nfs/dbraw/zinc/06/70/14/210067014.db2.gz CMKWWGMDDQGVKP-UHFFFAOYSA-N 1 0 380.521 4.011 50 0 GIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000012995349 210043809 /nfs/dbraw/zinc/04/38/09/210043809.db2.gz ZHPTYQPTENJEKV-HXUWFJFHSA-N 1 0 398.503 4.268 50 0 GIAARO Cc1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cnn1-c1ccc(F)cc1 ZINC000012949489 210036035 /nfs/dbraw/zinc/03/60/35/210036035.db2.gz IXHJWRSZHJPHJB-UHFFFAOYSA-N 1 0 378.451 4.168 50 0 GIAARO CSC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 ZINC000012836436 210016336 /nfs/dbraw/zinc/01/63/36/210016336.db2.gz VAIBFZIGSMBNIP-INIZCTEOSA-N 1 0 387.553 4.224 50 0 GIAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cccc(C)c2)CC1 ZINC000012752214 210001302 /nfs/dbraw/zinc/00/13/02/210001302.db2.gz UITJUEXLTYQPOK-UHFFFAOYSA-N 1 0 380.532 4.030 50 0 GIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(OC)cc1 ZINC000012299209 209931971 /nfs/dbraw/zinc/93/19/71/209931971.db2.gz OCWLGYFHXPJVND-FQEVSTJZSA-N 1 0 398.522 4.251 50 0 GIAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cccc4c3OCO4)CC2)c1 ZINC000012242437 209925952 /nfs/dbraw/zinc/92/59/52/209925952.db2.gz QSCQNYPNOSEOCE-UHFFFAOYSA-N 1 0 375.472 4.493 50 0 GIAARO CCOc1ccccc1C[NH+]1CCC2(C[C@@H]2C(=O)NCCc2ccccc2)CC1 ZINC000012099138 209908055 /nfs/dbraw/zinc/90/80/55/209908055.db2.gz DEIOPJIPEPPODX-JOCHJYFZSA-N 1 0 392.543 4.046 50 0 GIAARO O=C(c1ccc(OC2CC[NH+](C/C=C/c3ccco3)CC2)cc1)N1CCCCC1 ZINC000012029612 209900077 /nfs/dbraw/zinc/90/00/77/209900077.db2.gz CNDOMGNYLUKWHA-GQCTYLIASA-N 1 0 394.515 4.462 50 0 GIAARO Cc1c(Nc2ccc(C[NH2+]CCC(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000009379390 209827120 /nfs/dbraw/zinc/82/71/20/209827120.db2.gz UYQFEVQNMOTMMX-UHFFFAOYSA-N 1 0 378.520 4.364 50 0 GIAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[NH+]1CCCCC1)c2-n1cccc1 ZINC000006780509 209683937 /nfs/dbraw/zinc/68/39/37/209683937.db2.gz YTGSNBQNSZVABJ-UHFFFAOYSA-N 1 0 396.560 4.310 50 0 GIAARO O[C@H](C[NH2+]CCc1ccc(C(F)(F)F)cc1)COc1ccc2ccccc2c1 ZINC000003360642 209429186 /nfs/dbraw/zinc/42/91/86/209429186.db2.gz ZVBOWQHDIGYEQB-HXUWFJFHSA-N 1 0 389.417 4.431 50 0 GIAARO O=C(C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)N1CCCCC1 ZINC000002828210 209390402 /nfs/dbraw/zinc/39/04/02/209390402.db2.gz QYWIHFMKVHTMIH-UHFFFAOYSA-N 1 0 392.543 4.490 50 0 GIAARO O[C@H](C[NH2+]CCNc1cccc2ccccc21)COCc1ccc(Cl)cc1 ZINC000002631329 209372811 /nfs/dbraw/zinc/37/28/11/209372811.db2.gz RQOBEEQQMRKWKC-HXUWFJFHSA-N 1 0 384.907 4.072 50 0 GIAARO CCc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(OC)cc2F)cc1 ZINC000002385237 209359704 /nfs/dbraw/zinc/35/97/04/209359704.db2.gz XZGZCTXTULHNEI-HSZRJFAPSA-N 1 0 383.487 4.047 50 0 GIAARO CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](CC)CC2)cc1 ZINC000010213837 209320828 /nfs/dbraw/zinc/32/08/28/209320828.db2.gz USDMCMGBVUVQNF-JOCHJYFZSA-N 1 0 391.515 4.441 50 0 GIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214138 209320691 /nfs/dbraw/zinc/32/06/91/209320691.db2.gz MOVIVHCQBGNMER-NRFANRHFSA-N 1 0 377.488 4.138 50 0 GIAARO COc1cccc(C(=O)N2C[C@H](C[NH+]3CCCCC3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000034697778 209246941 /nfs/dbraw/zinc/24/69/41/209246941.db2.gz SNTHEBVKMDAMMN-UPVQGACJSA-N 1 0 392.543 4.345 50 0 GIAARO FC(F)(F)c1ccc2oc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000095980439 209240453 /nfs/dbraw/zinc/24/04/53/209240453.db2.gz COPQSDVEGOEIRF-LBPRGKRZSA-N 1 0 391.397 4.222 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Br)c1 ZINC000016506469 209234683 /nfs/dbraw/zinc/23/46/83/209234683.db2.gz DGUGALDRGRPHAV-UHFFFAOYSA-N 1 0 387.321 4.365 50 0 GIAARO Cn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC000257198789 209223835 /nfs/dbraw/zinc/22/38/35/209223835.db2.gz IGUKVIWLZAHKCK-JVNMPXIPSA-N 1 0 389.543 4.214 50 0 GIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000253413507 209218741 /nfs/dbraw/zinc/21/87/41/209218741.db2.gz UYNFAJIZQWJGJC-LEWJYISDSA-N 1 0 384.564 4.056 50 0 GIAARO CC(C)Cn1ccc2c1cccc2OCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253394528 209217329 /nfs/dbraw/zinc/21/73/29/209217329.db2.gz ADQYEARHKJBSSO-PZJWPPBQSA-N 1 0 397.563 4.057 50 0 GIAARO COc1ccc(-c2csc(N3[NH2+]C(C(C)C)=C[C@]3(O)C(F)(F)F)n2)cc1 ZINC000001415787 212060731 /nfs/dbraw/zinc/06/07/31/212060731.db2.gz VMAZQVLSHCRYSJ-INIZCTEOSA-N 1 0 385.411 4.292 50 0 GIAARO CCOc1ccccc1CN(C)C[C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000055227856 212059408 /nfs/dbraw/zinc/05/94/08/212059408.db2.gz VLVSGKXHLHTPJU-QFIPXVFZSA-N 1 0 396.575 4.480 50 0 GIAARO c1ccc([C@@H]2C[C@H](c3noc(CCc4nc5ccccc5[nH]4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299787172 212036762 /nfs/dbraw/zinc/03/67/62/212036762.db2.gz VKHKFTFKSUNLCS-WMQCIHAUSA-N 1 0 399.498 4.424 50 0 GIAARO O=C(NCc1cc(-c2ccco2)on1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299771659 212035804 /nfs/dbraw/zinc/03/58/04/212035804.db2.gz VQKIAKJNLVRTAM-UHFFFAOYSA-N 1 0 380.448 4.242 50 0 GIAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cccc(-c2ccccn2)c1 ZINC000299755225 212031204 /nfs/dbraw/zinc/03/12/04/212031204.db2.gz BRDMFCVYVJIYBM-QHCPKHFHSA-N 1 0 389.474 4.455 50 0 GIAARO CN(C(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+](C)C)C1CCCCC1 ZINC000299767471 212033117 /nfs/dbraw/zinc/03/31/17/212033117.db2.gz HOMBPEMJESZSGF-JTHBVZDNSA-N 1 0 385.596 4.010 50 0 GIAARO CC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(-c2ccc(C[NH+](C)C)cn2)c1 ZINC000299767304 212032971 /nfs/dbraw/zinc/03/29/71/212032971.db2.gz QOUNTPOJJIGVBE-QHCPKHFHSA-N 1 0 388.515 4.429 50 0 GIAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH+]3CCCC3)CC2)cc1)c1ccccc1 ZINC000299766703 212032500 /nfs/dbraw/zinc/03/25/00/212032500.db2.gz RKIVJCJPKNLEOO-LJQANCHMSA-N 1 0 377.532 4.242 50 0 GIAARO CC[NH+](CC)Cc1ccc(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000060343815 211951142 /nfs/dbraw/zinc/95/11/42/211951142.db2.gz YWXASIAMVZUNRW-UHFFFAOYSA-N 1 0 391.515 4.464 50 0 GIAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CC[NH+]1CCCCC1 ZINC000004276597 211540985 /nfs/dbraw/zinc/54/09/85/211540985.db2.gz UMEQOTYYBASHPM-UHFFFAOYSA-N 1 0 386.517 4.406 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccccc1OC(F)F ZINC000045132387 211452313 /nfs/dbraw/zinc/45/23/13/211452313.db2.gz NWDYJTYXJMVTPQ-UHFFFAOYSA-N 1 0 391.462 4.129 50 0 GIAARO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000098069490 211378533 /nfs/dbraw/zinc/37/85/33/211378533.db2.gz KSUXBYJYKYXZSQ-ZDUSSCGKSA-N 1 0 382.838 4.251 50 0 GIAARO Cc1nc(C)c(-c2nnc(SCC[N@@H+](C)Cc3ccc(F)cc3)o2)s1 ZINC000097139634 211360237 /nfs/dbraw/zinc/36/02/37/211360237.db2.gz JRTCLUFIUBMYHZ-UHFFFAOYSA-N 1 0 378.498 4.173 50 0 GIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3csc(NC)n3)CC2)C1 ZINC000096167126 211315551 /nfs/dbraw/zinc/31/55/51/211315551.db2.gz MEXLMRYPYHECIU-LJQANCHMSA-N 1 0 384.593 4.276 50 0 GIAARO Cc1cccc(-c2nc3ccc(NC(=O)N4CCC[N@@H+](C)C[C@@H]4C)cc3o2)c1 ZINC000096147862 211310216 /nfs/dbraw/zinc/31/02/16/211310216.db2.gz HJPQGSZLNDGGBQ-INIZCTEOSA-N 1 0 378.476 4.361 50 0 GIAARO CCc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000095957471 211287682 /nfs/dbraw/zinc/28/76/82/211287682.db2.gz HCDCFTWAEWKENZ-UHFFFAOYSA-N 1 0 386.923 4.062 50 0 GIAARO Cc1ccccc1C(C)(C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000095959166 211287537 /nfs/dbraw/zinc/28/75/37/211287537.db2.gz CFZWIRIKVNQTAX-FQEVSTJZSA-N 1 0 394.559 4.289 50 0 GIAARO CCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[C@@H](C)CC ZINC000095945991 211285559 /nfs/dbraw/zinc/28/55/59/211285559.db2.gz ARAXGHLKNIHQOR-HNNXBMFYSA-N 1 0 396.597 4.186 50 0 GIAARO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)NCCc1nc2ccccc2s1 ZINC000095941407 211284646 /nfs/dbraw/zinc/28/46/46/211284646.db2.gz QUHANVLSAYSEBN-MSOLQXFVSA-N 1 0 397.519 4.020 50 0 GIAARO Cc1nc2ccccc2n(CCC[NH2+]Cc2ccc(SC(F)F)cc2)c1=O ZINC000095940849 211284687 /nfs/dbraw/zinc/28/46/87/211284687.db2.gz KKBKPMQQMZICIQ-UHFFFAOYSA-N 1 0 389.471 4.200 50 0 GIAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@H+](CCc2ncc[nH]2)C1 ZINC000095519244 211264048 /nfs/dbraw/zinc/26/40/48/211264048.db2.gz PKFOHCZYRXSQKX-LJQANCHMSA-N 1 0 392.478 4.109 50 0 GIAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000095530997 211275484 /nfs/dbraw/zinc/27/54/84/211275484.db2.gz SVPDPVQFUPNGBJ-LJQANCHMSA-N 1 0 392.478 4.375 50 0 GIAARO CC(=O)c1cccc(-c2ccc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)c1 ZINC000095525795 211271711 /nfs/dbraw/zinc/27/17/11/211271711.db2.gz BLOHBQGAYDSJIG-FCHUYYIVSA-N 1 0 377.488 4.257 50 0 GIAARO CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]1 ZINC000095524203 211270998 /nfs/dbraw/zinc/27/09/98/211270998.db2.gz MMGQIVXYTVXWFP-SFHVURJKSA-N 1 0 387.955 4.257 50 0 GIAARO CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3ccc(C)o3)c2)C[C@H]1c1ccc(C)o1 ZINC000095524876 211268900 /nfs/dbraw/zinc/26/89/00/211268900.db2.gz KCQUKLCUBXULJF-NHCUHLMSSA-N 1 0 378.472 4.261 50 0 GIAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000095505136 211257969 /nfs/dbraw/zinc/25/79/69/211257969.db2.gz WCDXRBAFTYYVEK-FQEVSTJZSA-N 1 0 392.478 4.109 50 0 GIAARO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC(c2ccc(F)cc2)C1 ZINC000095457113 211242809 /nfs/dbraw/zinc/24/28/09/211242809.db2.gz MQXDBTZIGDWGHF-XTXLOEGASA-N 1 0 382.479 4.492 50 0 GIAARO COc1ccc([C@@H]2CN(C(=O)c3cccc(C)c3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095359267 211223844 /nfs/dbraw/zinc/22/38/44/211223844.db2.gz AUHTWYCGTMWKMT-RBZQAINGSA-N 1 0 390.527 4.014 50 0 GIAARO c1ccc2c(c1)ccnc2N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095372591 211229443 /nfs/dbraw/zinc/22/94/43/211229443.db2.gz DMXRYMJQKIXURK-TUACAJSNSA-N 1 0 399.494 4.030 50 0 GIAARO Fc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cnn(-c4ccccc4)c2)C3)cc1 ZINC000095371376 211228382 /nfs/dbraw/zinc/22/83/82/211228382.db2.gz HDAIWIDEPQVENU-GBXCKJPGSA-N 1 0 390.506 4.108 50 0 GIAARO CC(=O)c1cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cs1 ZINC000095365650 211226233 /nfs/dbraw/zinc/22/62/33/211226233.db2.gz BTRBVFJFNYUMDW-DYESRHJHSA-N 1 0 380.557 4.014 50 0 GIAARO CCCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)o1 ZINC000092022476 211212336 /nfs/dbraw/zinc/21/23/36/211212336.db2.gz FBBJDTLTLHHONO-HSZRJFAPSA-N 1 0 381.520 4.032 50 0 GIAARO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](CCc3ccccc3)CC2)CN1C1CC1 ZINC000091651338 211201447 /nfs/dbraw/zinc/20/14/47/211201447.db2.gz WVUGFDQJCDUFHX-XMMPIXPASA-N 1 0 388.555 4.490 50 0 GIAARO C[C@H]1CN([C@@H](C[NH2+]Cc2cc(F)ccc2F)c2c(F)cccc2Cl)CCO1 ZINC000084715125 211174166 /nfs/dbraw/zinc/17/41/66/211174166.db2.gz MPEJUPZVDJQQPK-DJJJIMSYSA-N 1 0 398.856 4.309 50 0 GIAARO CCn1nc(C)c(C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)c1C ZINC000077470489 211134700 /nfs/dbraw/zinc/13/47/00/211134700.db2.gz ZOKHFDALMFGZCC-UHFFFAOYSA-N 1 0 377.536 4.213 50 0 GIAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@H+]3CCC(=O)NC[C@@H]3C)cc2c1 ZINC000072421775 211115701 /nfs/dbraw/zinc/11/57/01/211115701.db2.gz SPWZQAWGGYJUOJ-INIZCTEOSA-N 1 0 377.463 4.060 50 0 GIAARO Cn1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000072410476 211114051 /nfs/dbraw/zinc/11/40/51/211114051.db2.gz HYUAXZWOZGMCNB-UHFFFAOYSA-N 1 0 381.907 4.224 50 0 GIAARO Cc1ccc([C@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072132058 211073270 /nfs/dbraw/zinc/07/32/70/211073270.db2.gz MPGNYPLUSRRPBQ-AGILITTLSA-N 1 0 385.511 4.179 50 0 GIAARO O=C(c1ccc(Cl)cc1F)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072129028 211072319 /nfs/dbraw/zinc/07/23/19/211072319.db2.gz PNQUAFIHQDOEMS-HMXCVIKNSA-N 1 0 384.882 4.182 50 0 GIAARO CC[C@H]1CN(Cc2nc(-c3ccc(OC)cc3F)oc2C)CC[N@@H+]1C(C)C ZINC000071661731 211051289 /nfs/dbraw/zinc/05/12/89/211051289.db2.gz KGHFPNZTWYNXSK-INIZCTEOSA-N 1 0 375.488 4.102 50 0 GIAARO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000069676545 211038003 /nfs/dbraw/zinc/03/80/03/211038003.db2.gz MAQOTROJARLKKO-HUUCEWRRSA-N 1 0 381.398 4.059 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H](c1ccccc1)C(F)(F)F ZINC000069417679 211038591 /nfs/dbraw/zinc/03/85/91/211038591.db2.gz VHQRCIKTLLEJIN-NVXWUHKLSA-N 1 0 381.398 4.019 50 0 GIAARO Cc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)o1 ZINC000067896035 211028272 /nfs/dbraw/zinc/02/82/72/211028272.db2.gz INVHFRLXNWMIFH-UHFFFAOYSA-N 1 0 382.504 4.258 50 0 GIAARO C[N@@H+]1CCCN(c2ncccc2CNc2ccnc3cc(Cl)ccc32)CC1 ZINC000067741356 211019816 /nfs/dbraw/zinc/01/98/16/211019816.db2.gz DQWJNNRPXNJCKD-UHFFFAOYSA-N 1 0 381.911 4.037 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1OC ZINC000021719933 210391469 /nfs/dbraw/zinc/39/14/69/210391469.db2.gz VOCJPGXBMUBZCN-QGZVFWFLSA-N 1 0 382.464 4.036 50 0 GIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cc(OC)ccc1OC ZINC000021720810 210391488 /nfs/dbraw/zinc/39/14/88/210391488.db2.gz VNFRONDWFAGIJF-SFHVURJKSA-N 1 0 396.491 4.290 50 0 GIAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Nc3ccc(F)c(C)c3)CC2)c1 ZINC000021174743 210379304 /nfs/dbraw/zinc/37/93/04/210379304.db2.gz GPINROMHZXJOEG-UHFFFAOYSA-N 1 0 398.526 4.085 50 0 GIAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000021133910 210378927 /nfs/dbraw/zinc/37/89/27/210378927.db2.gz NXHKAKCUCRKILH-UHFFFAOYSA-N 1 0 395.503 4.230 50 0 GIAARO CCOc1ccc([C@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021168433 210380147 /nfs/dbraw/zinc/38/01/47/210380147.db2.gz YZELSFCZUDEPPS-DNQXCXABSA-N 1 0 383.532 4.045 50 0 GIAARO C[NH+](C)CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000021171665 210380224 /nfs/dbraw/zinc/38/02/24/210380224.db2.gz DOFQNCZPAUKJTP-MRXNPFEDSA-N 1 0 396.922 4.162 50 0 GIAARO Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c1C ZINC000021171688 210379881 /nfs/dbraw/zinc/37/98/81/210379881.db2.gz GOXPGSPMLPTOHH-LJQANCHMSA-N 1 0 390.531 4.125 50 0 GIAARO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C)c1 ZINC000020893154 210365967 /nfs/dbraw/zinc/36/59/67/210365967.db2.gz JKXKYRFCUUOLEK-UHFFFAOYSA-N 1 0 376.504 4.366 50 0 GIAARO O=C(c1ccc(Br)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000020868973 210364542 /nfs/dbraw/zinc/36/45/42/210364542.db2.gz DMCYYQGXWXLINC-GOSISDBHSA-N 1 0 379.342 4.320 50 0 GIAARO Clc1cccc(-c2n[nH]c3c2C[N@@H+]([C@H]2CCN(c4ccccc4)C2)CC3)c1 ZINC000020855207 210363499 /nfs/dbraw/zinc/36/34/99/210363499.db2.gz IYLUEXCMQOKFFV-IBGZPJMESA-N 1 0 378.907 4.367 50 0 GIAARO Cc1ccc(C)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)c1 ZINC000020857655 210363344 /nfs/dbraw/zinc/36/33/44/210363344.db2.gz SERHDVDBBMJRND-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO O[C@@](c1ccccc1)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020792786 210361113 /nfs/dbraw/zinc/36/11/13/210361113.db2.gz NAOLDPFPKNQJJY-RPBOFIJWSA-N 1 0 391.486 4.178 50 0 GIAARO CCCOc1ccc([C@](O)(CC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020507097 210343820 /nfs/dbraw/zinc/34/38/20/210343820.db2.gz MBJSJKWIMYOHPL-DNQXCXABSA-N 1 0 383.532 4.189 50 0 GIAARO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4cc(C)ccc4C)CC3)c2c1 ZINC000020213231 210324886 /nfs/dbraw/zinc/32/48/86/210324886.db2.gz IVIMBKJRMSWSLD-UHFFFAOYSA-N 1 0 390.527 4.290 50 0 GIAARO C[NH+]1CCN(CCO[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000019802422 210298302 /nfs/dbraw/zinc/29/83/02/210298302.db2.gz HTQNTTWSGOYWOJ-OAQYLSRUSA-N 1 0 388.964 4.299 50 0 aggregator GIAARO FC(F)(F)c1cc(-c2ccccc2)nc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019894403 210307565 /nfs/dbraw/zinc/30/75/65/210307565.db2.gz IMOHIUMSZDSTCQ-UHFFFAOYSA-N 1 0 398.432 4.485 50 0 GIAARO Clc1ccc(CN2CCC[C@@H]([NH2+]Cc3ccccc3Cn3cccn3)C2)cc1 ZINC000019595556 210275201 /nfs/dbraw/zinc/27/52/01/210275201.db2.gz AHKJSLCNHGUNAC-HSZRJFAPSA-N 1 0 394.950 4.339 50 0 GIAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)cc1 ZINC000011822139 221130371 /nfs/dbraw/zinc/13/03/71/221130371.db2.gz WTVJCYMOOSLBFC-OAQYLSRUSA-N 1 0 375.520 4.467 50 0 GIAARO CCc1nc(C)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)o1 ZINC000011841473 221132888 /nfs/dbraw/zinc/13/28/88/221132888.db2.gz BUSQTORDAHQTQO-FQEVSTJZSA-N 1 0 383.536 4.138 50 0 GIAARO Cc1ccccc1-c1cc2c(N3CC[NH+](C4CCCCC4)CC3)nccn2n1 ZINC000067285441 136164697 /nfs/dbraw/zinc/16/46/97/136164697.db2.gz QCNABIHKTSBAPP-UHFFFAOYSA-N 1 0 375.520 4.159 50 0 GIAARO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)co1 ZINC000072418587 136169570 /nfs/dbraw/zinc/16/95/70/136169570.db2.gz RNYIDOSOWFLPDW-UHFFFAOYSA-N 1 0 380.414 4.032 50 0 GIAARO C[NH2+]C1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000179142327 521950642 /nfs/dbraw/zinc/95/06/42/521950642.db2.gz RSAPIKPUOYPYEV-UHFFFAOYSA-N 1 0 377.410 4.273 50 0 GIAARO Clc1ccc(N2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000000757909 526955974 /nfs/dbraw/zinc/95/59/74/526955974.db2.gz PBQQTZCRYJIPBU-UHFFFAOYSA-N 1 0 383.967 4.169 50 0 GIAARO Clc1ccccc1N1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000000757702 526991219 /nfs/dbraw/zinc/99/12/19/526991219.db2.gz VSPREGAGCIVMPE-UHFFFAOYSA-N 1 0 383.967 4.169 50 0 GIAARO CC1(C)[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000241447054 527873515 /nfs/dbraw/zinc/87/35/15/527873515.db2.gz NQTRESXYLUTSBX-BHDDXSALSA-N 1 0 378.516 4.476 50 0 GIAARO CCCc1cnc(C)nc1N1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000096180582 535437655 /nfs/dbraw/zinc/43/76/55/535437655.db2.gz LKFIKCTWMGHMPS-UHFFFAOYSA-N 1 0 376.907 4.289 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000040103955 535756095 /nfs/dbraw/zinc/75/60/95/535756095.db2.gz AQZVRFLWVNZTKJ-FQEVSTJZSA-N 1 0 378.520 4.028 50 0 GIAARO C[N@H+](CCCNC(=O)Nc1nnc(C2CCCCC2)s1)Cc1ccccc1 ZINC000048309337 570232782 /nfs/dbraw/zinc/23/27/82/570232782.db2.gz QPWVXUBJCDVEIO-UHFFFAOYSA-N 1 0 387.553 4.229 50 0 GIAARO C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000048300950 570234205 /nfs/dbraw/zinc/23/42/05/570234205.db2.gz FBDWXMCPIUONOI-GOSISDBHSA-N 1 0 385.847 4.494 50 0 GIAARO Cc1ccc(C[N@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)o1 ZINC000006082999 570238694 /nfs/dbraw/zinc/23/86/94/570238694.db2.gz ALFNPRBMXJTCFF-URXFXBBRSA-N 1 0 379.500 4.495 50 0 GIAARO CC[NH+](CC)Cc1ccc(-c2nnc(-c3cnc4onc(C(C)C)c4c3)o2)o1 ZINC000071890732 570276357 /nfs/dbraw/zinc/27/63/57/570276357.db2.gz HRCHVIFWOADPKM-UHFFFAOYSA-N 1 0 381.436 4.498 50 0 GIAARO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000000644770 570280024 /nfs/dbraw/zinc/28/00/24/570280024.db2.gz ZRYNHKXBRUGMEP-FQEVSTJZSA-N 1 0 375.492 4.011 50 0 GIAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000022074776 570304820 /nfs/dbraw/zinc/30/48/20/570304820.db2.gz AZCMGAFENCOUPW-QFIPXVFZSA-N 1 0 377.484 4.406 50 0 GIAARO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCC(C)CC2)n3C)c1 ZINC000006199723 570325900 /nfs/dbraw/zinc/32/59/00/570325900.db2.gz GQZSATVPBUXZQZ-UHFFFAOYSA-N 1 0 390.531 4.408 50 0 GIAARO COc1cc(C[NH2+]CCOc2ccccn2)ccc1OCc1ccccc1Cl ZINC000113396168 570331302 /nfs/dbraw/zinc/33/13/02/570331302.db2.gz VZHVREMNDDUHNG-UHFFFAOYSA-N 1 0 398.890 4.491 50 0 GIAARO COc1cccc(C[NH2+]CCOc2ccccn2)c1OCc1ccc(Cl)cc1 ZINC000113396263 570331553 /nfs/dbraw/zinc/33/15/53/570331553.db2.gz VMOLCPQDVPYUMY-UHFFFAOYSA-N 1 0 398.890 4.491 50 0 GIAARO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237378019 570346115 /nfs/dbraw/zinc/34/61/15/570346115.db2.gz PFOFOCJUGBUIIO-RISCZKNCSA-N 1 0 397.466 4.337 50 0 GIAARO c1c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2ccccn12 ZINC000023253778 570352838 /nfs/dbraw/zinc/35/28/38/570352838.db2.gz FZHRQTSEIKXWKL-UHFFFAOYSA-N 1 0 382.511 4.242 50 0 GIAARO CCN(Cc1nc2ccccc2[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000023338813 570355485 /nfs/dbraw/zinc/35/54/85/570355485.db2.gz AOZNBJXTGOFGOA-HXUWFJFHSA-N 1 0 394.538 4.479 50 0 GIAARO c1ccc(-c2noc(-c3ccc(N4CCC([NH+]5CCCCC5)CC4)nc3)n2)cc1 ZINC000035461202 570364656 /nfs/dbraw/zinc/36/46/56/570364656.db2.gz QBGPOTGRXQIZBT-UHFFFAOYSA-N 1 0 389.503 4.253 50 0 GIAARO CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)s1 ZINC000023540859 570364702 /nfs/dbraw/zinc/36/47/02/570364702.db2.gz KAJIKSYHSYEINK-KRWDZBQOSA-N 1 0 380.517 4.143 50 0 GIAARO CC(C)(C)CC[N@@H+]1CCC[C@@H]1c1ccc(C(=O)NCCc2cnccn2)s1 ZINC000023543296 570365221 /nfs/dbraw/zinc/36/52/21/570365221.db2.gz MRENFUUHNFINJO-QGZVFWFLSA-N 1 0 386.565 4.084 50 0 GIAARO Cc1ccc(C)c(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)c1 ZINC000004921961 570369718 /nfs/dbraw/zinc/36/97/18/570369718.db2.gz FSCASZZYSSOKJI-UHFFFAOYSA-N 1 0 387.483 4.480 50 0 GIAARO COc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1OCc1ccccc1 ZINC000008395476 570376865 /nfs/dbraw/zinc/37/68/65/570376865.db2.gz WFOKSBSFGDVNJF-FQEVSTJZSA-N 1 0 391.467 4.204 50 0 GIAARO FC(F)(F)c1cccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1 ZINC000022774382 570377305 /nfs/dbraw/zinc/37/73/05/570377305.db2.gz MNXFQDOGXVPPPV-UHFFFAOYSA-N 1 0 388.183 4.486 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)CCOc3cccc(C)c3C)c(C)c2)CC1 ZINC000024681029 570389427 /nfs/dbraw/zinc/38/94/27/570389427.db2.gz WAWGAKZZXFEUSK-UHFFFAOYSA-N 1 0 395.547 4.161 50 0 GIAARO O=C([C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1)N1CCCCCC1 ZINC000004744900 570401594 /nfs/dbraw/zinc/40/15/94/570401594.db2.gz GRORKUIIVUJROL-KRWDZBQOSA-N 1 0 379.342 4.064 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccsc1 ZINC000025330003 570411504 /nfs/dbraw/zinc/41/15/04/570411504.db2.gz LYSVNMMZUGMAAH-SFHVURJKSA-N 1 0 378.497 4.405 50 0 GIAARO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)o2)cc1 ZINC000025382831 570412477 /nfs/dbraw/zinc/41/24/77/570412477.db2.gz SRLYHQHLKINZIB-HXUWFJFHSA-N 1 0 395.478 4.141 50 0 GIAARO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000004998504 570422598 /nfs/dbraw/zinc/42/25/98/570422598.db2.gz JXSYVEMDOJHZNA-UHFFFAOYSA-N 1 0 381.545 4.416 50 0 GIAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCC(=O)Nc1ccccc1C ZINC000005027752 570424599 /nfs/dbraw/zinc/42/45/99/570424599.db2.gz FXMYYAQQYJODGI-UHFFFAOYSA-N 1 0 382.504 4.443 50 0 GIAARO O[C@@](c1ccccc1)(c1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000026568980 570426866 /nfs/dbraw/zinc/42/68/66/570426866.db2.gz HLARMCFCXXGSBI-ZEQRLZLVSA-N 1 0 377.459 4.135 50 0 GIAARO O=C(C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F)N[C@H](c1nccs1)c1ccccc1 ZINC000241121899 570431089 /nfs/dbraw/zinc/43/10/89/570431089.db2.gz JEPWDFXXBQMFNC-INMHGKMJSA-N 1 0 397.466 4.059 50 0 GIAARO Cc1ccc(C)c(-n2cc(CN3CC[N@@H+]4CCC[C@H]4C3)c(-c3ccccc3)n2)c1 ZINC000243892565 570432770 /nfs/dbraw/zinc/43/27/70/570432770.db2.gz AIXXHXRYNMQZRT-QHCPKHFHSA-N 1 0 386.543 4.436 50 0 GIAARO Cc1c2ccc(Br)cc2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027583348 570436878 /nfs/dbraw/zinc/43/68/78/570436878.db2.gz FHRVCRBFNBYPAF-UHFFFAOYSA-N 1 0 393.325 4.498 50 0 GIAARO COc1cccc([C@H](CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)[NH+](C)C)c1 ZINC000027594859 570437382 /nfs/dbraw/zinc/43/73/82/570437382.db2.gz VZWNTNPELMTBRY-QHCPKHFHSA-N 1 0 391.515 4.088 50 0 GIAARO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)c1 ZINC000054032352 570437397 /nfs/dbraw/zinc/43/73/97/570437397.db2.gz JXRSBLMJMFQURX-UHFFFAOYSA-N 1 0 382.533 4.218 50 0 GIAARO COc1c(Cl)cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1Cl ZINC000027593462 570437509 /nfs/dbraw/zinc/43/75/09/570437509.db2.gz UAMLAPZISSTBLH-INIZCTEOSA-N 1 0 385.266 4.174 50 0 GIAARO CCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1 ZINC000027794412 570443014 /nfs/dbraw/zinc/44/30/14/570443014.db2.gz FMHKSNDPYPUKBH-JOCHJYFZSA-N 1 0 382.504 4.051 50 0 GIAARO Cc1c2ccc(C)c(C)c2oc1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027795577 570443466 /nfs/dbraw/zinc/44/34/66/570443466.db2.gz AIGSHMOEDGBEDC-UHFFFAOYSA-N 1 0 397.563 4.038 50 0 GIAARO CCCCOc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000027989179 570448015 /nfs/dbraw/zinc/44/80/15/570448015.db2.gz SXRKDAYEKBITOH-QHCPKHFHSA-N 1 0 396.531 4.441 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2cccs2)CC1 ZINC000028291511 570456165 /nfs/dbraw/zinc/45/61/65/570456165.db2.gz KWDUIQVNZPRQGO-SFHVURJKSA-N 1 0 392.952 4.370 50 0 GIAARO CC[NH+]1CCN(C2(CNC(=O)c3oc4ccc(C)cc4c3C)CCCCC2)CC1 ZINC000028292918 570457133 /nfs/dbraw/zinc/45/71/33/570457133.db2.gz AUAAQJDPHJTSQJ-UHFFFAOYSA-N 1 0 397.563 4.120 50 0 GIAARO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000006546725 570483043 /nfs/dbraw/zinc/48/30/43/570483043.db2.gz WMWHTOXECMWQPX-UHFFFAOYSA-N 1 0 381.545 4.416 50 0 GIAARO C[C@@H](C[NH2+]C[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006584700 570485713 /nfs/dbraw/zinc/48/57/13/570485713.db2.gz VVXCFBGYBYNXQB-WMZHIEFXSA-N 1 0 394.540 4.100 50 0 GIAARO O=C(Nc1cccc(C[NH2+]Cc2ccccc2OCc2cccnc2)c1)C1CC1 ZINC000030629169 570492325 /nfs/dbraw/zinc/49/23/25/570492325.db2.gz OEVFXFZYQJNLQK-UHFFFAOYSA-N 1 0 387.483 4.299 50 0 GIAARO Cc1n[nH]cc1CCC[NH2+][C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000089544529 570492885 /nfs/dbraw/zinc/49/28/85/570492885.db2.gz YYHRZSGPILKHLO-LPHOPBHVSA-N 1 0 378.561 4.199 50 0 GIAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000030910913 570500999 /nfs/dbraw/zinc/50/09/99/570500999.db2.gz GSZHOACVFZGKJL-FQEVSTJZSA-N 1 0 389.902 4.364 50 0 GIAARO Cn1c(CC[NH+]2CCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000005207569 570506544 /nfs/dbraw/zinc/50/65/44/570506544.db2.gz XWNLUZOMPIMRJW-UHFFFAOYSA-N 1 0 382.895 4.117 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+](C)C)cc1 ZINC000032623104 570512501 /nfs/dbraw/zinc/51/25/01/570512501.db2.gz XYHMTWUHYUULPW-NRFANRHFSA-N 1 0 377.488 4.300 50 0 GIAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)c2ccccc21 ZINC000064669823 570515081 /nfs/dbraw/zinc/51/50/81/570515081.db2.gz NOHMNNVRHKHVOZ-UHFFFAOYSA-N 1 0 389.543 4.498 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)Cc1cccc2ccccc21)[NH+]1CCCC1 ZINC000022679700 570516852 /nfs/dbraw/zinc/51/68/52/570516852.db2.gz AHODAOVBLLADJQ-QHCPKHFHSA-N 1 0 388.511 4.344 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000008254118 570526213 /nfs/dbraw/zinc/52/62/13/570526213.db2.gz MPXSDJYPMDQULK-CYBMUJFWSA-N 1 0 384.303 4.442 50 0 GIAARO OCCC[N@H+](Cc1cc(Cl)cc2c1OCOC2)[C@H]1CCCc2ccccc21 ZINC000072308757 570528495 /nfs/dbraw/zinc/52/84/95/570528495.db2.gz NAYLAMDQFWPJBR-NRFANRHFSA-N 1 0 387.907 4.469 50 0 GIAARO CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000005266379 570531221 /nfs/dbraw/zinc/53/12/21/570531221.db2.gz ZIHWQXROLDBYND-KRWDZBQOSA-N 1 0 391.471 4.111 50 0 GIAARO C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008497917 570532793 /nfs/dbraw/zinc/53/27/93/570532793.db2.gz OCKQABSGYPBNRI-LBPRGKRZSA-N 1 0 384.701 4.152 50 0 GIAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103012 570540303 /nfs/dbraw/zinc/54/03/03/570540303.db2.gz PMQICGVGDDPNGF-QHCPKHFHSA-N 1 0 379.475 4.406 50 0 GIAARO CCc1cccc2c([C@H](CC(=O)NCC[NH+](C)C)c3ccccc3)cn(CC)c21 ZINC000006724861 570552689 /nfs/dbraw/zinc/55/26/89/570552689.db2.gz ZFCQTKPWHWLSHA-JOCHJYFZSA-N 1 0 391.559 4.423 50 0 GIAARO CCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333332 570569205 /nfs/dbraw/zinc/56/92/05/570569205.db2.gz DOEHGTJJFPYIGU-UHFFFAOYSA-N 1 0 379.504 4.065 50 0 GIAARO CCCc1cc(=O)oc2c1ccc1c2CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000006755244 570572814 /nfs/dbraw/zinc/57/28/14/570572814.db2.gz WFYCGJNPDYFINV-UHFFFAOYSA-N 1 0 384.520 4.207 50 0 GIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011663276 570577925 /nfs/dbraw/zinc/57/79/25/570577925.db2.gz CTRVRMVSZLCKPX-HSZRJFAPSA-N 1 0 379.479 4.033 50 0 GIAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1c[nH]nc1-c1ccccc1F ZINC000011664277 570578446 /nfs/dbraw/zinc/57/84/46/570578446.db2.gz MNVRVAWCWKXZPV-MRXNPFEDSA-N 1 0 384.499 4.133 50 0 GIAARO Cc1ccc2cc(C[N@H+](C)CCc3ccccc3)c(=O)n(Cc3ccccn3)c2c1 ZINC000011782826 570582451 /nfs/dbraw/zinc/58/24/51/570582451.db2.gz IZQVXALRQFEYBI-UHFFFAOYSA-N 1 0 397.522 4.428 50 0 GIAARO CCn1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)c2ccccc21 ZINC000011844514 570588241 /nfs/dbraw/zinc/58/82/41/570588241.db2.gz WIYVCQVWTKQSEP-LJQANCHMSA-N 1 0 377.488 4.466 50 0 GIAARO COCCCC1CC[NH+](Cc2nc(-c3ccc(OC)cc3OC)oc2C)CC1 ZINC000039478796 570591975 /nfs/dbraw/zinc/59/19/75/570591975.db2.gz VDIPAHCYLDCFSW-UHFFFAOYSA-N 1 0 388.508 4.306 50 0 GIAARO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)COc3ccc(Cl)cc3)C2)C1 ZINC000039490110 570592666 /nfs/dbraw/zinc/59/26/66/570592666.db2.gz DDCVJSGBXVLGEQ-NRFANRHFSA-N 1 0 378.944 4.079 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936274 570594055 /nfs/dbraw/zinc/59/40/55/570594055.db2.gz CEAGEJIYAWAGTP-NRFANRHFSA-N 1 0 398.595 4.003 50 0 GIAARO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951366 570595763 /nfs/dbraw/zinc/59/57/63/570595763.db2.gz JCBSWKBOEUAZEI-QFIPXVFZSA-N 1 0 384.593 4.006 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccccc2-c2ccco2)CC1)NC[C@H]1CCCO1 ZINC000011950343 570595836 /nfs/dbraw/zinc/59/58/36/570595836.db2.gz YGWRZQPTXIAASB-OAQYLSRUSA-N 1 0 396.531 4.234 50 0 GIAARO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2cnn(CC)c2)C1 ZINC000011998174 570597183 /nfs/dbraw/zinc/59/71/83/570597183.db2.gz URRBDKDEXKLBGA-UJVYDMDKSA-N 1 0 381.520 4.152 50 0 GIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2)N1Cc1ccccc1OC(F)(F)F ZINC000012034815 570599982 /nfs/dbraw/zinc/59/99/82/570599982.db2.gz PIDIHKTWVDMNNW-GOSISDBHSA-N 1 0 392.421 4.256 50 0 GIAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CC1CCCCC1 ZINC000012053525 570601697 /nfs/dbraw/zinc/60/16/97/570601697.db2.gz IMUGTJIUDPBZMC-KRWDZBQOSA-N 1 0 392.927 4.120 50 0 GIAARO CCOc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccccc1C ZINC000040719743 570604709 /nfs/dbraw/zinc/60/47/09/570604709.db2.gz MRVIPNAWTLODSP-UHFFFAOYSA-N 1 0 379.504 4.349 50 0 GIAARO COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccccc1C ZINC000040720577 570605476 /nfs/dbraw/zinc/60/54/76/570605476.db2.gz OHYSJRKNTNWPPB-UHFFFAOYSA-N 1 0 376.928 4.277 50 0 GIAARO CN(C)CC[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000040720424 570605509 /nfs/dbraw/zinc/60/55/09/570605509.db2.gz GXIFPXPXVFEISI-UHFFFAOYSA-N 1 0 397.744 4.333 50 0 GIAARO c1cc(-c2ccccc2)oc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000040721153 570605964 /nfs/dbraw/zinc/60/59/64/570605964.db2.gz OAQAYJGZNFNRDT-UHFFFAOYSA-N 1 0 391.500 4.194 50 0 GIAARO CCCOc1c(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Cl)cc1OC ZINC000040722183 570606437 /nfs/dbraw/zinc/60/64/37/570606437.db2.gz ZSXSURMOZLDAAQ-UHFFFAOYSA-N 1 0 393.911 4.487 50 0 GIAARO COc1cc(Br)cc(C[NH2+]C[C@@H](O)c2ccccc2)c1OC(C)C ZINC000040728556 570607790 /nfs/dbraw/zinc/60/77/90/570607790.db2.gz HLINFTAAABXYPV-QGZVFWFLSA-N 1 0 394.309 4.068 50 0 GIAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)cc1 ZINC000040739119 570611170 /nfs/dbraw/zinc/61/11/70/570611170.db2.gz XUALBPQEAQMPLX-UHFFFAOYSA-N 1 0 378.447 4.441 50 0 GIAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1c(Cl)cccc1Cl ZINC000040742492 570612175 /nfs/dbraw/zinc/61/21/75/570612175.db2.gz VWBSOJFTUQQOHY-UHFFFAOYSA-N 1 0 390.694 4.316 50 0 GIAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742760 570612196 /nfs/dbraw/zinc/61/21/96/570612196.db2.gz YJVOGUPKNBNMLP-UHFFFAOYSA-N 1 0 384.303 4.442 50 0 GIAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCCN2CCCC2=O)c1 ZINC000040742955 570612681 /nfs/dbraw/zinc/61/26/81/570612681.db2.gz NMBWIXVCAPXGFE-UHFFFAOYSA-N 1 0 386.923 4.330 50 0 GIAARO CCOc1cc(C[NH2+]CCCCO)ccc1OCc1ccc(F)cc1Cl ZINC000040744289 570613505 /nfs/dbraw/zinc/61/35/05/570613505.db2.gz GQCVOUIHTQADGU-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO c1ccc(C[NH+]2CCN(c3ncccc3-c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000033004284 570618278 /nfs/dbraw/zinc/61/82/78/570618278.db2.gz MTVRAUQKYNCICO-UHFFFAOYSA-N 1 0 397.482 4.121 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000042881765 570623729 /nfs/dbraw/zinc/62/37/29/570623729.db2.gz ZTBTWWADQDCIHL-INIZCTEOSA-N 1 0 389.425 4.209 50 0 GIAARO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccn2C)CC1 ZINC000036341933 570625817 /nfs/dbraw/zinc/62/58/17/570625817.db2.gz QMDOQLNDFMFCRT-OAQYLSRUSA-N 1 0 398.938 4.088 50 0 GIAARO COc1ccc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)c(OC)c1C ZINC000012206789 570626091 /nfs/dbraw/zinc/62/60/91/570626091.db2.gz BBFDHTADDFICNW-UHFFFAOYSA-N 1 0 399.531 4.056 50 0 GIAARO COc1ccccc1/C=C/C[N@H+]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000012212680 570627234 /nfs/dbraw/zinc/62/72/34/570627234.db2.gz MMHJBTVUXGMTGG-VMPITWQZSA-N 1 0 384.907 4.096 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000036345200 570627619 /nfs/dbraw/zinc/62/76/19/570627619.db2.gz VJJMWQOGIZXVOQ-JTSKRJEESA-N 1 0 379.479 4.378 50 0 GIAARO Cc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)c(C)c1 ZINC000012226831 570628958 /nfs/dbraw/zinc/62/89/58/570628958.db2.gz JCFWDSPXSAVIDQ-UHFFFAOYSA-N 1 0 382.523 4.469 50 0 GIAARO O=C(Cc1ccccc1Cl)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000036350643 570633798 /nfs/dbraw/zinc/63/37/98/570633798.db2.gz IWGXDIDEUPTEAU-LJQANCHMSA-N 1 0 377.315 4.489 50 0 GIAARO OCC1(Cc2ccccc2Cl)CC[NH+](Cc2cccn2-c2ccccn2)CC1 ZINC000012297138 570634295 /nfs/dbraw/zinc/63/42/95/570634295.db2.gz VNVVUOFMTFKDTP-UHFFFAOYSA-N 1 0 395.934 4.343 50 0 GIAARO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)N(CC)CC)C3)c(C)o2)cc1 ZINC000012302403 570637280 /nfs/dbraw/zinc/63/72/80/570637280.db2.gz UKLXFGXRSKHZLD-IBGZPJMESA-N 1 0 399.535 4.129 50 0 GIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012308243 570640329 /nfs/dbraw/zinc/64/03/29/570640329.db2.gz DPDATRJYOZEEKZ-LJQANCHMSA-N 1 0 388.471 4.120 50 0 GIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012308244 570640339 /nfs/dbraw/zinc/64/03/39/570640339.db2.gz DPDATRJYOZEEKZ-IBGZPJMESA-N 1 0 388.471 4.120 50 0 GIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1Cl ZINC000012320276 570642954 /nfs/dbraw/zinc/64/29/54/570642954.db2.gz YGUGVDPYXMLFQJ-MRXNPFEDSA-N 1 0 387.911 4.375 50 0 GIAARO Cc1c2ccccc2oc1-c1noc(C(=O)NCC[C@H](C)[NH+]2CCCCCC2)n1 ZINC000065009976 570646221 /nfs/dbraw/zinc/64/62/21/570646221.db2.gz WRITVPLYQQNUIG-HNNXBMFYSA-N 1 0 396.491 4.176 50 0 GIAARO Cc1c2ccccc2oc1-c1noc(C(=O)NCC[C@@H](C)[NH+]2CCCCCC2)n1 ZINC000065009973 570646376 /nfs/dbraw/zinc/64/63/76/570646376.db2.gz WRITVPLYQQNUIG-OAHLLOKOSA-N 1 0 396.491 4.176 50 0 GIAARO Cc1c2ccccc2oc1-c1noc(C(=O)NCCC[N@@H+](C)C2CCCCC2)n1 ZINC000065009930 570646425 /nfs/dbraw/zinc/64/64/25/570646425.db2.gz UXXFWUSUDQXNBR-UHFFFAOYSA-N 1 0 396.491 4.176 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccoc2)CC1 ZINC000012430418 570659113 /nfs/dbraw/zinc/65/91/13/570659113.db2.gz YVJVRORHRMQTCB-UHFFFAOYSA-N 1 0 384.520 4.299 50 0 GIAARO OC[C@@]1(CCCc2ccccc2)CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000012431686 570660282 /nfs/dbraw/zinc/66/02/82/570660282.db2.gz BZAVQVAXPIHWGT-QFIPXVFZSA-N 1 0 381.545 4.289 50 0 GIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000012437458 570662520 /nfs/dbraw/zinc/66/25/20/570662520.db2.gz BNTFVVLOHGDYFU-MRXNPFEDSA-N 1 0 396.441 4.206 50 0 GIAARO COc1ccccc1-n1cc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)cn1 ZINC000012437751 570662630 /nfs/dbraw/zinc/66/26/30/570662630.db2.gz DOLWSHHNLNZHSD-QGZVFWFLSA-N 1 0 387.487 4.226 50 0 GIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](OC)C2)c1 ZINC000012453202 570668707 /nfs/dbraw/zinc/66/87/07/570668707.db2.gz SJCUQPYQDQQOGI-JOCHJYFZSA-N 1 0 377.488 4.159 50 0 GIAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](C2CCCCCC2)CC1 ZINC000012456731 570669029 /nfs/dbraw/zinc/66/90/29/570669029.db2.gz ZZNJGNUOBOMOPA-UHFFFAOYSA-N 1 0 386.536 4.153 50 0 GIAARO O=C(Nc1cccc(N2CCC([NH2+]Cc3cccs3)CC2)c1)c1cccnc1 ZINC000012455494 570669221 /nfs/dbraw/zinc/66/92/21/570669221.db2.gz NYCOUUBRINYJRV-UHFFFAOYSA-N 1 0 392.528 4.154 50 0 GIAARO O=C(Nc1cccc(-c2cnco2)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000052470121 570671545 /nfs/dbraw/zinc/67/15/45/570671545.db2.gz CRUQJWYOIKHPEE-UHFFFAOYSA-N 1 0 382.489 4.143 50 0 GIAARO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c(C)o1 ZINC000012471363 570672738 /nfs/dbraw/zinc/67/27/38/570672738.db2.gz ZSTHCILFGSAEFR-DEOSSOPVSA-N 1 0 380.532 4.457 50 0 GIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccs1 ZINC000004337821 570674665 /nfs/dbraw/zinc/67/46/65/570674665.db2.gz LVFQDQKLQYIAEG-IBGZPJMESA-N 1 0 396.512 4.050 50 0 GIAARO CCCCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)C1(C)C ZINC000239653738 570684100 /nfs/dbraw/zinc/68/41/00/570684100.db2.gz BKYZYPKGXQTQJP-QWHCGFSZSA-N 1 0 398.301 4.166 50 0 GIAARO Cc1c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)[nH]c2c1c(C)ccc2C ZINC000012589836 570686631 /nfs/dbraw/zinc/68/66/31/570686631.db2.gz BIXWWIHVINHUGK-DEOSSOPVSA-N 1 0 379.548 4.431 50 0 GIAARO Cc1cccc2cc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c(Cl)nc12 ZINC000241707036 570687490 /nfs/dbraw/zinc/68/74/90/570687490.db2.gz QMDGUWPWJWLCNX-QUCCMNQESA-N 1 0 379.891 4.372 50 0 GIAARO Cc1cccc(-c2ncc(C[NH2+]C[C@@]3(c4ccc(F)cc4)CCOC3)cn2)c1 ZINC000055326882 570691345 /nfs/dbraw/zinc/69/13/45/570691345.db2.gz YOJZVMWXSVDHGB-QHCPKHFHSA-N 1 0 377.463 4.039 50 0 GIAARO C[NH+](C)CCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(F)cc2s1 ZINC000004359158 570699402 /nfs/dbraw/zinc/69/94/02/570699402.db2.gz GMVWZIUUIGCMIY-UHFFFAOYSA-N 1 0 383.901 4.359 50 0 GIAARO c1coc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)c1 ZINC000012703472 570699486 /nfs/dbraw/zinc/69/94/86/570699486.db2.gz JRMUPJRETWXHSJ-UHFFFAOYSA-N 1 0 387.439 4.193 50 0 GIAARO C[NH+](C)CCN(C(=O)/C=C/c1cccs1)c1nc2c(cc(F)cc2F)s1 ZINC000004359423 570701586 /nfs/dbraw/zinc/70/15/86/570701586.db2.gz WUMVFMZQAQQKJR-AATRIKPKSA-N 1 0 393.484 4.244 50 0 GIAARO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000057530775 570702848 /nfs/dbraw/zinc/70/28/48/570702848.db2.gz HKUGXLGGBMPVEL-UHFFFAOYSA-N 1 0 390.314 4.310 50 0 GIAARO CC[N@H+](CCO)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012715814 570704429 /nfs/dbraw/zinc/70/44/29/570704429.db2.gz BVGSEONBVJHLCE-UHFFFAOYSA-N 1 0 375.472 4.159 50 0 GIAARO Cn1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@H+]24)c(-c2ccccc2)n1 ZINC000012716981 570704979 /nfs/dbraw/zinc/70/49/79/570704979.db2.gz ZUPWGXFLHQRRIL-JTJYXVOQSA-N 1 0 398.510 4.030 50 0 GIAARO COc1ccc([C@@H](CNC(=O)Nc2ccc(N3CCCC3)cc2C)[NH+](C)C)cc1 ZINC000057991997 570705825 /nfs/dbraw/zinc/70/58/25/570705825.db2.gz YHSKUTPLIQYDNG-JOCHJYFZSA-N 1 0 396.535 4.028 50 0 GIAARO COc1cccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)c1 ZINC000004359757 570706259 /nfs/dbraw/zinc/70/62/59/570706259.db2.gz NBNCAYPFGDTKAW-UHFFFAOYSA-N 1 0 387.480 4.043 50 0 GIAARO Fc1ccccc1Cn1cc(C[NH2+]CCOc2ccccn2)c2ccccc21 ZINC000247540127 570715729 /nfs/dbraw/zinc/71/57/29/570715729.db2.gz SAZICFJOAJQHAF-UHFFFAOYSA-N 1 0 375.447 4.392 50 0 GIAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2ccccc21 ZINC000248160765 570721415 /nfs/dbraw/zinc/72/14/15/570721415.db2.gz LBJQNKBKVFPLLX-GOSISDBHSA-N 1 0 376.504 4.468 50 0 GIAARO CCCCN(CCC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000249681522 570722587 /nfs/dbraw/zinc/72/25/87/570722587.db2.gz BKZIIQCWHFKWLH-IBGZPJMESA-N 1 0 384.568 4.307 50 0 GIAARO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000058368497 570729345 /nfs/dbraw/zinc/72/93/45/570729345.db2.gz YCAFABFVCZSEKV-UHFFFAOYSA-N 1 0 381.923 4.006 50 0 GIAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000058393065 570730659 /nfs/dbraw/zinc/73/06/59/570730659.db2.gz QGBASIBYJDQRDW-UHFFFAOYSA-N 1 0 398.457 4.157 50 0 GIAARO C[C@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058423531 570732594 /nfs/dbraw/zinc/73/25/94/570732594.db2.gz OEEBBNCYWSPAPE-HNNXBMFYSA-N 1 0 390.886 4.027 50 0 GIAARO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c(C)c1 ZINC000253612916 570735621 /nfs/dbraw/zinc/73/56/21/570735621.db2.gz OIXYAVLOGBVEBQ-SFHVURJKSA-N 1 0 376.504 4.041 50 0 GIAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c(C)c1 ZINC000253612915 570735646 /nfs/dbraw/zinc/73/56/46/570735646.db2.gz OIXYAVLOGBVEBQ-GOSISDBHSA-N 1 0 376.504 4.041 50 0 GIAARO C[N@H+](CCCNC(=O)c1sc2ncccc2c1-n1cccc1)C1CCCCC1 ZINC000033059859 570746913 /nfs/dbraw/zinc/74/69/13/570746913.db2.gz LJSHBTFJMSHPQF-UHFFFAOYSA-N 1 0 396.560 4.471 50 0 GIAARO O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255118 570752860 /nfs/dbraw/zinc/75/28/60/570752860.db2.gz ZSKCATVHCGPFGQ-UHFFFAOYSA-N 1 0 386.858 4.177 50 0 GIAARO Cc1c2ccccc2sc1[C@H]1CC(=O)Nc2c1cnn2C1CC[NH+](C)CC1 ZINC000065376685 570763068 /nfs/dbraw/zinc/76/30/68/570763068.db2.gz AAFDDYPDUJNWJB-INIZCTEOSA-N 1 0 380.517 4.147 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[NH+]2CCCCC2)cc1 ZINC000032759017 570798229 /nfs/dbraw/zinc/79/82/29/570798229.db2.gz PLTHLILPIJDRSU-JOCHJYFZSA-N 1 0 395.478 4.273 50 0 GIAARO COc1ccc([C@@H](CNC(=O)[C@H]2CCCc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000032759023 570798257 /nfs/dbraw/zinc/79/82/57/570798257.db2.gz PAVHRJCDVRXTBY-BJKOFHAPSA-N 1 0 392.543 4.459 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000032763309 570800742 /nfs/dbraw/zinc/80/07/42/570800742.db2.gz QNJVOPIZZLKBEX-OAHLLOKOSA-N 1 0 384.423 4.214 50 0 GIAARO CCC[NH+]1CCN(C(=O)Cn2c(-c3cccs3)cc3cc(F)ccc32)CC1 ZINC000034868201 570804655 /nfs/dbraw/zinc/80/46/55/570804655.db2.gz NEANQBYDBWZAPB-UHFFFAOYSA-N 1 0 385.508 4.063 50 0 GIAARO COc1ccc(NC(=S)N2CCC([N@H+](C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000004668294 570814474 /nfs/dbraw/zinc/81/44/74/570814474.db2.gz IUGRQQIVGOKHBN-UZLBHIALSA-N 1 0 375.582 4.367 50 0 GIAARO COc1ccc(CNC(=O)[C@H](C)Nc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000007286163 570825002 /nfs/dbraw/zinc/82/50/02/570825002.db2.gz VHFUOKQNEQFORZ-SFHVURJKSA-N 1 0 381.520 4.192 50 0 GIAARO CCOC(=O)c1sc2nc(C)nc(NCc3ccccc3C[NH+](C)C)c2c1C ZINC000014227429 570832788 /nfs/dbraw/zinc/83/27/88/570832788.db2.gz ALDSQKQULPZFEO-UHFFFAOYSA-N 1 0 398.532 4.159 50 0 GIAARO Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000065553710 570834270 /nfs/dbraw/zinc/83/42/70/570834270.db2.gz OBZRVCMGVGGFKO-UXHICEINSA-N 1 0 383.561 4.417 50 0 GIAARO CC(C)[NH+](CCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(C)C ZINC000012539179 570837910 /nfs/dbraw/zinc/83/79/10/570837910.db2.gz VVJKDNBLMKSNHF-UHFFFAOYSA-N 1 0 376.504 4.145 50 0 GIAARO COc1cc(SC)ccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447620 570844399 /nfs/dbraw/zinc/84/43/99/570844399.db2.gz AAZYALJQZHKXPB-UHFFFAOYSA-N 1 0 384.545 4.333 50 0 GIAARO Cc1cc(C[NH+]2CCC(CNC(=O)c3ccc(OC(C)C)cc3)CC2)c(C)o1 ZINC000043972609 570847538 /nfs/dbraw/zinc/84/75/38/570847538.db2.gz DEBZBUCMHPQQKE-UHFFFAOYSA-N 1 0 384.520 4.326 50 0 GIAARO O=C(NCc1cccnc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004701733 570849015 /nfs/dbraw/zinc/84/90/15/570849015.db2.gz KMHWPEIVFVLZJO-UHFFFAOYSA-N 1 0 399.538 4.466 50 0 GIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2cccc(N(C)C)c2)CC1 ZINC000043991204 570852840 /nfs/dbraw/zinc/85/28/40/570852840.db2.gz XYFZGSJETXOEQX-UHFFFAOYSA-N 1 0 397.588 4.117 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)n(-c2ccccc2C)n1 ZINC000032856108 570855822 /nfs/dbraw/zinc/85/58/22/570855822.db2.gz KPLAUDBKOVMQOS-MRXNPFEDSA-N 1 0 382.895 4.432 50 0 GIAARO CC1(C)CC(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000032862284 570860789 /nfs/dbraw/zinc/86/07/89/570860789.db2.gz JOCSNCYJGFBVQV-UHFFFAOYSA-N 1 0 375.847 4.372 50 0 GIAARO C[NH+](C)CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007542921 570877300 /nfs/dbraw/zinc/87/73/00/570877300.db2.gz YYDXKQITSRYSKA-MRXNPFEDSA-N 1 0 396.922 4.162 50 0 GIAARO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000170623174 570881360 /nfs/dbraw/zinc/88/13/60/570881360.db2.gz PPHMYBXWOOFAAA-ZFWWWQNUSA-N 1 0 392.345 4.119 50 0 GIAARO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000032900461 570894440 /nfs/dbraw/zinc/89/44/40/570894440.db2.gz KQRINEXNJDBVRL-UHFFFAOYSA-N 1 0 389.499 4.105 50 0 GIAARO Cc1cc(Cl)cc2c(-c3ccc(C(=O)N(C)CC[NH+](C)C)cc3)ccnc12 ZINC000534652452 570914596 /nfs/dbraw/zinc/91/45/96/570914596.db2.gz RPIASMBTXKADCK-UHFFFAOYSA-N 1 0 381.907 4.497 50 0 GIAARO CC[NH+](CC)CCN(C(=O)c1cccc(OC)c1)c1nc2ccccc2s1 ZINC000004585305 570916671 /nfs/dbraw/zinc/91/66/71/570916671.db2.gz KRCZPOQXEYIAST-UHFFFAOYSA-N 1 0 383.517 4.294 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(Cl)nc1C)c1ccccc1Cl ZINC000089967813 570922282 /nfs/dbraw/zinc/92/22/82/570922282.db2.gz ZBMJWKLKRFXXDK-SFHVURJKSA-N 1 0 394.346 4.439 50 0 GIAARO COc1ccc(Br)cc1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000019635829 570929165 /nfs/dbraw/zinc/92/91/65/570929165.db2.gz XWKLBCDGFXQSQA-UHFFFAOYSA-N 1 0 377.326 4.022 50 0 GIAARO CCOc1cc(C[NH2+]C)ccc1OCCOc1ccc(Br)cc1 ZINC000019777910 570929659 /nfs/dbraw/zinc/92/96/59/570929659.db2.gz PAMVLOFKZDIOBJ-UHFFFAOYSA-N 1 0 380.282 4.025 50 0 GIAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000046991176 570937968 /nfs/dbraw/zinc/93/79/68/570937968.db2.gz LPBGCROVXAKVCP-ZDUSSCGKSA-N 1 0 387.749 4.344 50 0 GIAARO Cc1c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc2nccc(C)c12 ZINC000252506281 570978513 /nfs/dbraw/zinc/97/85/13/570978513.db2.gz VYHLAFYAGWZINA-SFHVURJKSA-N 1 0 379.529 4.165 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000045438892 570991013 /nfs/dbraw/zinc/99/10/13/570991013.db2.gz UDOJDANEBBAALC-HKUYNNGSSA-N 1 0 397.485 4.380 50 0 GIAARO Cn1cc([C@H](CNC(=O)c2ccccc2C(F)(F)F)[NH+](C)C)c2ccccc21 ZINC000023239910 570991221 /nfs/dbraw/zinc/99/12/21/570991221.db2.gz BWTOYIDPQFNCOL-IBGZPJMESA-N 1 0 389.421 4.230 50 0 GIAARO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC000084064623 570992579 /nfs/dbraw/zinc/99/25/79/570992579.db2.gz AMHRMNSHAWDROM-HNNXBMFYSA-N 1 0 397.466 4.350 50 0 GIAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000045974153 571007275 /nfs/dbraw/zinc/00/72/75/571007275.db2.gz AIQRPYKKKXRTQI-UHFFFAOYSA-N 1 0 385.895 4.159 50 0 GIAARO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000037570656 571032770 /nfs/dbraw/zinc/03/27/70/571032770.db2.gz JILZBMYRSGFWQD-UHFFFAOYSA-N 1 0 384.495 4.488 50 0 GIAARO CCOc1ccc(NC(=O)NC[C@@H]2C[N@H+](CC3CC3)CC23CCCCC3)cc1 ZINC000409420036 823220683 /nfs/dbraw/zinc/22/06/83/823220683.db2.gz GALUBYXNVAMCHH-LJQANCHMSA-N 1 0 385.552 4.499 50 0 GIAARO C[C@H](c1ccncc1)N(CC[NH+](C)C)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000003049863 817414962 /nfs/dbraw/zinc/41/49/62/817414962.db2.gz DWNDLMGUMOVQAU-CYBMUJFWSA-N 1 0 380.920 4.196 50 0 GIAARO COc1ccc([C@H](CNc2nc(-c3cccnc3)nc3ccccc32)[NH+](C)C)cc1 ZINC000003411820 817451287 /nfs/dbraw/zinc/45/12/87/817451287.db2.gz LPXXLDUTBILXBZ-QFIPXVFZSA-N 1 0 399.498 4.415 50 0 GIAARO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)c(OC)c1 ZINC000057363680 823282770 /nfs/dbraw/zinc/28/27/70/823282770.db2.gz KAPCKASUPGZWIU-DEOSSOPVSA-N 1 0 390.483 4.330 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000057473965 823301267 /nfs/dbraw/zinc/30/12/67/823301267.db2.gz GTNSKFBAZNNUQA-QFIPXVFZSA-N 1 0 376.504 4.415 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1 ZINC000007828517 817927305 /nfs/dbraw/zinc/92/73/05/817927305.db2.gz AAANGTYPAMTBEF-UHFFFAOYSA-N 1 0 376.500 4.377 50 0 GIAARO Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012150 817982723 /nfs/dbraw/zinc/98/27/23/817982723.db2.gz GFCLFYUQCYCWGT-UHFFFAOYSA-N 1 0 375.472 4.176 50 0 GIAARO C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CCC[N@H+](C)CC4)c23)C1 ZINC000008178099 818012962 /nfs/dbraw/zinc/01/29/62/818012962.db2.gz LKIOUPXZXPXHSY-OAHLLOKOSA-N 1 0 393.560 4.020 50 0 GIAARO O=C(c1cccnc1)N1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000011661939 818106579 /nfs/dbraw/zinc/10/65/79/818106579.db2.gz OBBKLFYEJOVTNY-HXUWFJFHSA-N 1 0 383.923 4.109 50 0 GIAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1cccs1 ZINC000011783544 818119971 /nfs/dbraw/zinc/11/99/71/818119971.db2.gz AINJVMNAIAFWRU-UHFFFAOYSA-N 1 0 380.513 4.172 50 0 GIAARO C[C@H](Oc1ccccc1)C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000011818384 818123910 /nfs/dbraw/zinc/12/39/10/818123910.db2.gz SIIZWYFEFXEGLS-IBGZPJMESA-N 1 0 398.522 4.006 50 0 GIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000011844044 818125669 /nfs/dbraw/zinc/12/56/69/818125669.db2.gz WDDJONZTKHOITI-UHFFFAOYSA-N 1 0 381.516 4.473 50 0 GIAARO O=C1CC[C@H](CC[NH2+]Cc2ccncc2)N1CC1(c2ccccc2)CCCC1 ZINC000011911163 818128578 /nfs/dbraw/zinc/12/85/78/818128578.db2.gz JMZQVPYKLXVQHU-JOCHJYFZSA-N 1 0 377.532 4.064 50 0 GIAARO CC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012031147 818136836 /nfs/dbraw/zinc/13/68/36/818136836.db2.gz AFZDULIQHFOJTM-LJQANCHMSA-N 1 0 396.506 4.055 50 0 GIAARO O=C(CCc1ccsc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012073684 818140405 /nfs/dbraw/zinc/14/04/05/818140405.db2.gz YSYCFAYLBHPWEK-JOCHJYFZSA-N 1 0 386.536 4.335 50 0 GIAARO Cn1cc(C[NH+]2CCC(OCc3ccccn3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012194184 818146033 /nfs/dbraw/zinc/14/60/33/818146033.db2.gz SDJUXIKIPRRENR-UHFFFAOYSA-N 1 0 396.922 4.317 50 0 GIAARO COc1cccc(C[NH2+][C@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)c1 ZINC000012190208 818146096 /nfs/dbraw/zinc/14/60/96/818146096.db2.gz UNLMMOIXDRWPDL-IBGZPJMESA-N 1 0 394.494 4.235 50 0 GIAARO COc1ccccc1CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000012659789 818174745 /nfs/dbraw/zinc/17/47/45/818174745.db2.gz OIPXGHPONYZIRJ-TURXUYEKSA-N 1 0 383.532 4.142 50 0 GIAARO Cc1ccccc1CCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000012744005 818180677 /nfs/dbraw/zinc/18/06/77/818180677.db2.gz ZEAWTOKAPTYWJU-UHFFFAOYSA-N 1 0 378.560 4.341 50 0 GIAARO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012921366 818194718 /nfs/dbraw/zinc/19/47/18/818194718.db2.gz UXDGSJYPNOOYCA-GCJKJVERSA-N 1 0 383.488 4.275 50 0 GIAARO Cc1ccsc1-c1nc(C[NH+]2CCC(CCN3CCCC3=O)CC2)c(C)o1 ZINC000019112010 818585154 /nfs/dbraw/zinc/58/51/54/818585154.db2.gz WVICLSDXMRQICW-UHFFFAOYSA-N 1 0 387.549 4.244 50 0 GIAARO Cc1ccc(/C=C/C(=O)NCCN2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000020241338 818617711 /nfs/dbraw/zinc/61/77/11/818617711.db2.gz LUHSUUOGVHQADD-QZTYOQMJSA-N 1 0 397.607 4.099 50 0 GIAARO C[C@@H](Oc1ccccc1)c1cc(=O)[nH]c(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000020386115 818619919 /nfs/dbraw/zinc/61/99/19/818619919.db2.gz FKKCRZZEBHWKII-QGZVFWFLSA-N 1 0 375.472 4.173 50 0 GIAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3c[nH]nc3C3CCCCC3)C2)c1 ZINC000023373191 818928899 /nfs/dbraw/zinc/92/88/99/818928899.db2.gz NOSTYSSGBGASQZ-NRFANRHFSA-N 1 0 382.552 4.220 50 0 GIAARO CCCN(C(=O)Nc1nnc(C2CC2)s1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058326171 823379002 /nfs/dbraw/zinc/37/90/02/823379002.db2.gz IYSNBFIKPZUCDA-SFHVURJKSA-N 1 0 399.564 4.324 50 0 GIAARO CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000029766047 820512922 /nfs/dbraw/zinc/51/29/22/820512922.db2.gz ARBQMUMIOCQKRL-OUKQBFOZSA-N 1 0 389.499 4.399 50 0 GIAARO O=C(Cc1csc(-c2ccccc2)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031868300 820868399 /nfs/dbraw/zinc/86/83/99/820868399.db2.gz VCOURTJUSGVQBN-UHFFFAOYSA-N 1 0 391.540 4.133 50 0 GIAARO Clc1cccc(Oc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)c1 ZINC000037623904 821093809 /nfs/dbraw/zinc/09/38/09/821093809.db2.gz VKDRABLGKCKZBK-UHFFFAOYSA-N 1 0 380.879 4.245 50 0 GIAARO COc1cc2c(c(Br)c1OC)CC[N@H+](C)C[C@H]2c1cccc(C)c1 ZINC000039930818 821123142 /nfs/dbraw/zinc/12/31/42/821123142.db2.gz NFTCTVHSUIBMII-KRWDZBQOSA-N 1 0 390.321 4.395 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccccc1 ZINC000040103778 821136946 /nfs/dbraw/zinc/13/69/46/821136946.db2.gz PMFOGSIQWFLUQD-JOCHJYFZSA-N 1 0 380.536 4.491 50 0 GIAARO COCc1ccc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000040142750 821148031 /nfs/dbraw/zinc/14/80/31/821148031.db2.gz QQDLLQKWOLUEPM-JOCHJYFZSA-N 1 0 380.532 4.036 50 0 GIAARO Clc1ccc(Cl)c(OCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000180866697 821502306 /nfs/dbraw/zinc/50/23/06/821502306.db2.gz KVGPLRVEBLFXLY-CYBMUJFWSA-N 1 0 381.307 4.178 50 0 GIAARO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C2CCCCC2)n1 ZINC000182962501 822400425 /nfs/dbraw/zinc/40/04/25/822400425.db2.gz HYEWAALJEHHQPH-UHFFFAOYSA-N 1 0 380.536 4.319 50 0 GIAARO O=C(NCc1cc(-c2ccccc2)no1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000045775458 822412464 /nfs/dbraw/zinc/41/24/64/822412464.db2.gz PKRSEGXLUDCKJN-UHFFFAOYSA-N 1 0 375.472 4.258 50 0 GIAARO Cc1ccc(C[N@@H+](C)Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)o1 ZINC000048194534 822644258 /nfs/dbraw/zinc/64/42/58/822644258.db2.gz XZSLULNJXIJQDE-UHFFFAOYSA-N 1 0 386.455 4.032 50 0 GIAARO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000054839732 822917143 /nfs/dbraw/zinc/91/71/43/822917143.db2.gz QINDWEULTAYVEE-QGZVFWFLSA-N 1 0 398.576 4.449 50 0 GIAARO CSc1ncc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cn1 ZINC000055270071 822948674 /nfs/dbraw/zinc/94/86/74/822948674.db2.gz ZAPLHCAQJCSTQV-GOSISDBHSA-N 1 0 379.533 4.188 50 0 GIAARO O=C(C1CCCC1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776779 823915700 /nfs/dbraw/zinc/91/57/00/823915700.db2.gz VEIKMLYEZFACCK-QHCPKHFHSA-N 1 0 396.575 4.381 50 0 GIAARO CC(C)[NH+]1CCC2(CC1)CN(C(=O)Cc1cccc(F)c1)Cc1ccccc1O2 ZINC000169780619 823916198 /nfs/dbraw/zinc/91/61/98/823916198.db2.gz NEBGYYZTERMQEI-UHFFFAOYSA-N 1 0 396.506 4.032 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@@H](Cn3c(C)cnc3C3CCOCC3)C2)c1 ZINC000575547751 823976333 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Cc1ccccc1-c1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000426574951 231242663 /nfs/dbraw/zinc/24/26/63/231242663.db2.gz CYIUKSWFDIIZMV-QFIPXVFZSA-N 1 0 378.516 4.035 50 0 GIAARO Cc1cc(N2CCN(c3nc(Cl)nc4ccccc43)CC2)c2ccccc2[nH+]1 ZINC000018265190 210220119 /nfs/dbraw/zinc/22/01/19/210220119.db2.gz MDRKHHVIWWNMPI-UHFFFAOYSA-N 1 0 389.890 4.466 50 0 GIAARO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cccc5ccccc54)C3=O)c2c1 ZINC000018088244 210212639 /nfs/dbraw/zinc/21/26/39/210212639.db2.gz CKXLBBXTRBFNOM-JOCHJYFZSA-N 1 0 397.478 4.094 50 0 GIAARO Cc1ccc(-c2c[n+](CC(=O)Nc3cccc4ccccc43)c3n2CCC3)cc1 ZINC000016955652 210199972 /nfs/dbraw/zinc/19/99/72/210199972.db2.gz HNQHQRUIOZZHID-UHFFFAOYSA-O 1 0 382.487 4.489 50 0 GIAARO C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)[C@@H]1CCCc2ccccc21 ZINC000016699248 210195698 /nfs/dbraw/zinc/19/56/98/210195698.db2.gz UOGDRVAVQZEZCF-GOSISDBHSA-N 1 0 380.410 4.180 50 0 GIAARO Cc1cc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc(C)c1Cl ZINC000015860037 210175212 /nfs/dbraw/zinc/17/52/12/210175212.db2.gz OLSPWTZLODLXOH-GOSISDBHSA-N 1 0 390.911 4.272 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)[NH+]2CCCC2)o1 ZINC000015860248 210174678 /nfs/dbraw/zinc/17/46/78/210174678.db2.gz NVYSIXZGGRNKLV-SFHVURJKSA-N 1 0 390.911 4.190 50 0 GIAARO Cc1ccc(C)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)c1 ZINC000015727035 210164113 /nfs/dbraw/zinc/16/41/13/210164113.db2.gz LRASJJDBHQFEBB-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO Cc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)cc1 ZINC000015727042 210163364 /nfs/dbraw/zinc/16/33/64/210163364.db2.gz HQKVYDARJQJLLP-UHFFFAOYSA-N 1 0 378.451 4.039 50 0 GIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1noc2c1CSc1ccccc1-2 ZINC000015674028 210162704 /nfs/dbraw/zinc/16/27/04/210162704.db2.gz PKXSFZIJZCBFNF-HUUCEWRRSA-N 1 0 385.533 4.330 50 0 GIAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4cccc(Cl)c4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000015063393 210146420 /nfs/dbraw/zinc/14/64/20/210146420.db2.gz AJGOAZHWHCAQJX-HARLFGEKSA-N 1 0 396.918 4.287 50 0 GIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1)Nc1ccccc1F ZINC000015064625 210146128 /nfs/dbraw/zinc/14/61/28/210146128.db2.gz MCOOELBFXSTYPU-HNNXBMFYSA-N 1 0 398.507 4.461 50 0 GIAARO CCc1nc(C)c(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)[nH]1 ZINC000015065609 210145523 /nfs/dbraw/zinc/14/55/23/210145523.db2.gz GDQBPUDZVCQDCN-QGZVFWFLSA-N 1 0 386.515 4.359 50 0 GIAARO COc1ccc(-n2cc(C[NH2+]C[C@@H]3CCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000015064472 210145629 /nfs/dbraw/zinc/14/56/29/210145629.db2.gz IHZOHPYPYKKNQD-IBGZPJMESA-N 1 0 397.906 4.470 50 0 GIAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccn2-c2ncccn2)c1 ZINC000015064005 210144757 /nfs/dbraw/zinc/14/47/57/210144757.db2.gz FDGRGVMJXJCOGQ-JOCHJYFZSA-N 1 0 398.514 4.237 50 0 GIAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](C[C@H]2CC=CCC2)C3)n1 ZINC000014978395 210138288 /nfs/dbraw/zinc/13/82/88/210138288.db2.gz PRDHFNUBDIGVHC-KRWDZBQOSA-N 1 0 380.488 4.317 50 0 GIAARO CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014969702 210136609 /nfs/dbraw/zinc/13/66/09/210136609.db2.gz WIUSSBJJGYJQRK-HXUWFJFHSA-N 1 0 379.479 4.086 50 0 GIAARO CCOc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 ZINC000014972380 210136237 /nfs/dbraw/zinc/13/62/37/210136237.db2.gz FUEMHOWTJKUMTN-UHFFFAOYSA-N 1 0 384.524 4.104 50 0 GIAARO O=C(c1ccnc(Cl)c1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000014967537 210136027 /nfs/dbraw/zinc/13/60/27/210136027.db2.gz MJLJVPWGGAIQCQ-QHCPKHFHSA-N 1 0 397.950 4.296 50 0 GIAARO CN(CC[NH+]1CCCCC1)C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000014972133 210136106 /nfs/dbraw/zinc/13/61/06/210136106.db2.gz MRILGDQAKUBRIT-UHFFFAOYSA-N 1 0 381.451 4.192 50 0 GIAARO Cc1nc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)s1 ZINC000014954912 210134411 /nfs/dbraw/zinc/13/44/11/210134411.db2.gz WMMYHUYEHBMWGI-NRFANRHFSA-N 1 0 387.524 4.027 50 0 GIAARO COCCNC(=O)CCC1CC[NH+](Cc2cccc(-c3ccccc3C)c2)CC1 ZINC000014950000 210131937 /nfs/dbraw/zinc/13/19/37/210131937.db2.gz KGNFFJWLYRCHLC-UHFFFAOYSA-N 1 0 394.559 4.417 50 0 GIAARO O=C(c1ncoc1C1CC1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000014948387 210130699 /nfs/dbraw/zinc/13/06/99/210130699.db2.gz ASDFUCLYAFPVAV-HSZRJFAPSA-N 1 0 385.552 4.451 50 0 GIAARO CC(C)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](CC(C)(C)C)CC2)C1=O ZINC000014732427 210125546 /nfs/dbraw/zinc/12/55/46/210125546.db2.gz IDNUZSYTNIKURW-UHFFFAOYSA-N 1 0 399.579 4.030 50 0 GIAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014532909 210120158 /nfs/dbraw/zinc/12/01/58/210120158.db2.gz XQBGZCZVZBUYLL-HXUWFJFHSA-N 1 0 389.584 4.144 50 0 GIAARO COc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000014198626 210108811 /nfs/dbraw/zinc/10/88/11/210108811.db2.gz KWCGRUMEBBMHQG-KRWDZBQOSA-N 1 0 394.540 4.489 50 0 GIAARO COc1ccc([C@@H](CNC(=O)N[C@H]2CCCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000014123626 210105937 /nfs/dbraw/zinc/10/59/37/210105937.db2.gz YLUVDRNXLYNMLD-XZOQPEGZSA-N 1 0 393.531 4.209 50 0 GIAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)c(Br)c1 ZINC000014125599 210105084 /nfs/dbraw/zinc/10/50/84/210105084.db2.gz DJONXJGUIDLXBR-ZDUSSCGKSA-N 1 0 377.282 4.055 50 0 GIAARO CCOc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccccc1F ZINC000013730052 210085853 /nfs/dbraw/zinc/08/58/53/210085853.db2.gz AIOYVZWXNAMIRG-UHFFFAOYSA-N 1 0 383.467 4.180 50 0 GIAARO O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000013682224 210079464 /nfs/dbraw/zinc/07/94/64/210079464.db2.gz OSQDDINKMGYHCO-UHFFFAOYSA-N 1 0 391.515 4.161 50 0 GIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)NCCc3ccccc3)CC2)c1 ZINC000013363962 210058681 /nfs/dbraw/zinc/05/86/81/210058681.db2.gz MNYZHAYKAJFMOV-UHFFFAOYSA-N 1 0 379.548 4.057 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(OC)c1 ZINC000012951072 210036643 /nfs/dbraw/zinc/03/66/43/210036643.db2.gz LGJNMWQMNHUPEG-NRFANRHFSA-N 1 0 384.495 4.065 50 0 GIAARO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C(C)C)C2CC2)cc1 ZINC000012898335 210023890 /nfs/dbraw/zinc/02/38/90/210023890.db2.gz DCVOMJQHVUKBKR-HSZRJFAPSA-N 1 0 391.515 4.246 50 0 GIAARO CSc1nc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)cs1 ZINC000012755299 210001559 /nfs/dbraw/zinc/00/15/59/210001559.db2.gz CKWQRADPKILFFY-HXUWFJFHSA-N 1 0 393.622 4.373 50 0 GIAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012756406 210004129 /nfs/dbraw/zinc/00/41/29/210004129.db2.gz YJPHQHWYZMMPIR-DEOSSOPVSA-N 1 0 394.515 4.033 50 0 GIAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000012759516 210003851 /nfs/dbraw/zinc/00/38/51/210003851.db2.gz WSCGOCUOFYPLHN-UHFFFAOYSA-N 1 0 379.508 4.186 50 0 GIAARO COc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3S2)[NH+]2CCCCC2)cc1 ZINC000012750831 210000589 /nfs/dbraw/zinc/00/05/89/210000589.db2.gz QXUSGIVRYVPNOA-RBBKRZOGSA-N 1 0 396.556 4.055 50 0 GIAARO COc1cc(C(=O)NCc2ccco2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012590231 209981063 /nfs/dbraw/zinc/98/10/63/209981063.db2.gz OFGNGYBYEVBWRY-UHFFFAOYSA-N 1 0 398.503 4.004 50 0 GIAARO CSCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000012470254 209962960 /nfs/dbraw/zinc/96/29/60/209962960.db2.gz WTRXZRBFLYHIMG-INIZCTEOSA-N 1 0 375.563 4.214 50 0 GIAARO Cn1cc(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cn1 ZINC000012049221 209901241 /nfs/dbraw/zinc/90/12/41/209901241.db2.gz HHIXZHZYZROSGJ-UHFFFAOYSA-N 1 0 395.869 4.355 50 0 GIAARO CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000007990773 209757811 /nfs/dbraw/zinc/75/78/11/209757811.db2.gz LTYPKFPUKUZGGG-OAQYLSRUSA-N 1 0 388.467 4.154 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1csc(-c2ccsc2)n1 ZINC000007437360 209730735 /nfs/dbraw/zinc/73/07/35/209730735.db2.gz QCOCMZJZSUOGCY-UHFFFAOYSA-N 1 0 383.542 4.397 50 0 GIAARO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000002934064 209398194 /nfs/dbraw/zinc/39/81/94/209398194.db2.gz FCCTVLAZJJQRQG-HNNXBMFYSA-N 1 0 376.957 4.365 50 0 GIAARO Cc1cc(C)c(C)c(S(=O)(=O)N2CCC([N@@H+](C)CCC(C)C)CC2)c1C ZINC000002912902 209397524 /nfs/dbraw/zinc/39/75/24/209397524.db2.gz SLHMSVSRKFSLJZ-UHFFFAOYSA-N 1 0 380.598 4.051 50 0 GIAARO COc1ccccc1N1CC[NH+](C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000001164677 209309221 /nfs/dbraw/zinc/30/92/21/209309221.db2.gz WVRQIGQKSWDJOP-UHFFFAOYSA-N 1 0 399.966 4.135 50 0 GIAARO Cc1ccc([C@@H]2C3=C(NCC[NH+]=C3c3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000001088376 209298990 /nfs/dbraw/zinc/29/89/90/209298990.db2.gz PSIIUYQKJREXOJ-RUZDIDTESA-N 1 0 393.490 4.430 50 0 GIAARO O=C(COc1ccccc1-c1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009496268 209275415 /nfs/dbraw/zinc/27/54/15/209275415.db2.gz PQESSJIZBKZKJH-JOCHJYFZSA-N 1 0 386.495 4.123 50 0 GIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCc1cn(C)c2ccccc12 ZINC000253409568 209218808 /nfs/dbraw/zinc/21/88/08/209218808.db2.gz MAROOBAMUHELPM-RBBKRZOGSA-N 1 0 381.564 4.224 50 0 GIAARO O=C(N[C@H]1CCc2ccccc21)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000229729944 209186472 /nfs/dbraw/zinc/18/64/72/209186472.db2.gz XSBXZBORHPOUBY-FPOVZHCZSA-N 1 0 388.433 4.245 50 0 GIAARO CSc1ncc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)cn1 ZINC000055252407 212059507 /nfs/dbraw/zinc/05/95/07/212059507.db2.gz ZVMAYPMBFLQMRZ-LJQANCHMSA-N 1 0 379.533 4.168 50 0 GIAARO Cc1ncc(C[N@@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)s1 ZINC000299771653 212035039 /nfs/dbraw/zinc/03/50/39/212035039.db2.gz VBNZMHRIUXNMSB-UHFFFAOYSA-N 1 0 381.549 4.032 50 0 GIAARO C[C@H](NC(=O)c1ccc(N2CCC([NH+]3CCCC3)CC2)cc1)c1ccccc1 ZINC000299766699 212033374 /nfs/dbraw/zinc/03/33/74/212033374.db2.gz RKIVJCJPKNLEOO-IBGZPJMESA-N 1 0 377.532 4.242 50 0 GIAARO Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC[NH+](C(C)C)C(C)C)c12 ZINC000012861859 211691068 /nfs/dbraw/zinc/69/10/68/211691068.db2.gz RGBWEHVRXDTUQU-UHFFFAOYSA-N 1 0 380.492 4.047 50 0 GIAARO C[N@H+](CCn1nc(-c2cccs2)c2ccccc2c1=O)Cc1ccc(F)cc1 ZINC000097164968 211361013 /nfs/dbraw/zinc/36/10/13/211361013.db2.gz JWXGHSLYNBCCRZ-UHFFFAOYSA-N 1 0 393.487 4.396 50 0 GIAARO COc1cccc([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)c1OC ZINC000097773193 211372128 /nfs/dbraw/zinc/37/21/28/211372128.db2.gz IBJXDXHUKPNFTG-MRXNPFEDSA-N 1 0 381.451 4.223 50 0 GIAARO C/C=C\c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1 ZINC000096861315 211348807 /nfs/dbraw/zinc/34/88/07/211348807.db2.gz NHORONSFDQIDIO-UTCJRWHESA-N 1 0 380.488 4.342 50 0 GIAARO Cc1cc(NC(=O)NC[C@@H](c2sccc2C)[NH+](C)C)n(C2CCCC2)n1 ZINC000096165550 211316680 /nfs/dbraw/zinc/31/66/80/211316680.db2.gz RJWZIJFHZADCBM-INIZCTEOSA-N 1 0 375.542 4.101 50 0 GIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)nc1)c1cnc(Cc2ccccc2)s1 ZINC000096012122 211294058 /nfs/dbraw/zinc/29/40/58/211294058.db2.gz KNBIEGDMYJZZEB-UHFFFAOYSA-N 1 0 392.528 4.367 50 0 GIAARO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2ccc(OC)cc2)cc1OC ZINC000095976039 211290885 /nfs/dbraw/zinc/29/08/85/211290885.db2.gz JBVAQTCJCPYNBM-XOBRGWDASA-N 1 0 393.911 4.358 50 0 GIAARO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CCC(N2C(=O)CCC2=O)CC1 ZINC000095983728 211290446 /nfs/dbraw/zinc/29/04/46/211290446.db2.gz PMFMJNULFOSWMX-UHYCVJNDSA-N 1 0 384.520 4.074 50 0 GIAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000095530996 211275073 /nfs/dbraw/zinc/27/50/73/211275073.db2.gz SVPDPVQFUPNGBJ-IBGZPJMESA-N 1 0 392.478 4.375 50 0 GIAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095391730 211237549 /nfs/dbraw/zinc/23/75/49/211237549.db2.gz YSXPVOBLZKHRDY-WIOPSUGQSA-N 1 0 386.543 4.277 50 0 GIAARO CC(C)c1sc(Cl)nc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095477696 211248725 /nfs/dbraw/zinc/24/87/25/211248725.db2.gz DDZAVENUNFIWQX-UHFFFAOYSA-N 1 0 395.931 4.453 50 0 GIAARO Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466144 211246086 /nfs/dbraw/zinc/24/60/86/211246086.db2.gz WUAHZZAYHJMNGF-VQIMIIECSA-N 1 0 385.577 4.290 50 0 GIAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c(C)c1 ZINC000095380849 211232375 /nfs/dbraw/zinc/23/23/75/211232375.db2.gz MNLQYWPOSOHQTC-FTBPSBKWSA-N 1 0 390.527 4.094 50 0 GIAARO Cn1c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)ccc1-c1ccccc1 ZINC000095367139 211227371 /nfs/dbraw/zinc/22/73/71/211227371.db2.gz LZGTUFGQKMBGFK-TZIWHRDSSA-N 1 0 377.532 4.029 50 0 GIAARO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)nc1 ZINC000091643690 211198726 /nfs/dbraw/zinc/19/87/26/211198726.db2.gz JFXCEWVZOKJFBE-UHFFFAOYSA-N 1 0 391.559 4.091 50 0 GIAARO O=C1CCC2(CC[NH+](CCSc3ccccc3)CC2)CN1Cc1ccccn1 ZINC000091364905 211190625 /nfs/dbraw/zinc/19/06/25/211190625.db2.gz XHKXKOXJTJPXPS-UHFFFAOYSA-N 1 0 395.572 4.079 50 0 GIAARO CCC(CC)n1nccc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000089943219 211187531 /nfs/dbraw/zinc/18/75/31/211187531.db2.gz XHSNYMKUSJYKFD-QFIPXVFZSA-N 1 0 398.551 4.210 50 0 GIAARO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000089702561 211183735 /nfs/dbraw/zinc/18/37/35/211183735.db2.gz JVLHRNVWYZTSNN-FQEVSTJZSA-N 1 0 396.441 4.169 50 0 GIAARO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000089505828 211181738 /nfs/dbraw/zinc/18/17/38/211181738.db2.gz ZTLMRNFGONXOHT-APWZRJJASA-N 1 0 392.588 4.127 50 0 GIAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-c2nnc(C)o2)cc1 ZINC000078903163 211150799 /nfs/dbraw/zinc/15/07/99/211150799.db2.gz ISAPWPUWBVXCHT-UHFFFAOYSA-N 1 0 394.475 4.018 50 0 GIAARO C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Br)c1 ZINC000078517747 211148069 /nfs/dbraw/zinc/14/80/69/211148069.db2.gz MSWXZWPCBFWNGM-CYBMUJFWSA-N 1 0 383.330 4.499 50 0 GIAARO C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Br)c1 ZINC000078517740 211146806 /nfs/dbraw/zinc/14/68/06/211146806.db2.gz MSWXZWPCBFWNGM-ZDUSSCGKSA-N 1 0 383.330 4.499 50 0 GIAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000077407666 211132387 /nfs/dbraw/zinc/13/23/87/211132387.db2.gz RJVDWMZBFZFOIX-INIZCTEOSA-N 1 0 383.927 4.406 50 0 GIAARO O=C1CC2(CN1)CC[NH+](Cc1ccccc1OCc1ccc(Cl)cc1)CC2 ZINC000077342496 211130561 /nfs/dbraw/zinc/13/05/61/211130561.db2.gz ISKZSVBKFBJFHB-UHFFFAOYSA-N 1 0 384.907 4.021 50 0 GIAARO Cn1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072422741 211116081 /nfs/dbraw/zinc/11/60/81/211116081.db2.gz KKCWQALGPKGGOW-JOCHJYFZSA-N 1 0 394.563 4.365 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)[C@H](C)CCO)cc1F ZINC000072418422 211116187 /nfs/dbraw/zinc/11/61/87/211116187.db2.gz ZGCOHJUNAQZMLF-QGZVFWFLSA-N 1 0 397.494 4.198 50 0 GIAARO CC(C)(CO)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000015063662 211127085 /nfs/dbraw/zinc/12/70/85/211127085.db2.gz RYUATCZVQUYDNC-IBGZPJMESA-N 1 0 384.495 4.162 50 0 GIAARO COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CC[NH+](C)CC1 ZINC000072473107 211122857 /nfs/dbraw/zinc/12/28/57/211122857.db2.gz HGZPSWCXJCDEPA-UHFFFAOYSA-N 1 0 381.907 4.311 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000072454283 211122155 /nfs/dbraw/zinc/12/21/55/211122155.db2.gz UPAIBZRZZSJIRF-FQEVSTJZSA-N 1 0 395.478 4.298 50 0 GIAARO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000072314243 211088532 /nfs/dbraw/zinc/08/85/32/211088532.db2.gz DJORWGAQGWAMBN-UHFFFAOYSA-N 1 0 390.449 4.371 50 0 GIAARO c1ccc2sc(N3CCC[N@@H+](C[C@@H]4CCCN5CCCC[C@H]45)CC3)nc2c1 ZINC000072171722 211081812 /nfs/dbraw/zinc/08/18/12/211081812.db2.gz PGZZAWJCSDYGBK-AZUAARDMSA-N 1 0 384.593 4.073 50 0 GIAARO COc1ccnc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)c1OC ZINC000072151799 211078573 /nfs/dbraw/zinc/07/85/73/211078573.db2.gz KHEODAFAFOFAIS-OAHLLOKOSA-N 1 0 376.447 4.222 50 0 GIAARO OCCOc1ccccc1C[N@@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071775004 211061934 /nfs/dbraw/zinc/06/19/34/211061934.db2.gz FRIPIBOMYUUUGK-QGZVFWFLSA-N 1 0 375.459 4.181 50 0 GIAARO CC[C@@H]1CN(Cc2nc(-c3cc(OC)ccc3F)oc2C)CC[N@@H+]1C(C)C ZINC000071764844 211060327 /nfs/dbraw/zinc/06/03/27/211060327.db2.gz UQYGJDDESDRUCW-MRXNPFEDSA-N 1 0 375.488 4.102 50 0 GIAARO CCc1nccn1CC[N@@H+]1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000071682104 211052058 /nfs/dbraw/zinc/05/20/58/211052058.db2.gz GVCHYDFSCKJXHT-NRFANRHFSA-N 1 0 391.515 4.202 50 0 GIAARO Cc1c(NC(=O)NCC2([NH+](C)C)CCCC2)cccc1NC(=O)c1ccccc1 ZINC000069459930 211038396 /nfs/dbraw/zinc/03/83/96/211038396.db2.gz SPCJXTLLJCXAEZ-UHFFFAOYSA-N 1 0 394.519 4.243 50 0 GIAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)cc1C ZINC000067854694 211025571 /nfs/dbraw/zinc/02/55/71/211025571.db2.gz IEVDVWVOUXIMSB-QFIPXVFZSA-N 1 0 376.504 4.270 50 0 GIAARO COc1ccc(C[NH+]2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)c(OC)c1 ZINC000067774468 211021859 /nfs/dbraw/zinc/02/18/59/211021859.db2.gz NGUSLHLZEWCGNT-UHFFFAOYSA-N 1 0 392.499 4.044 50 0 GIAARO COc1cccc([C@@H](CNC(=O)N(Cc2ccsc2)C2CC2)[NH+]2CCCC2)c1 ZINC000067695423 211017176 /nfs/dbraw/zinc/01/71/76/211017176.db2.gz QKLJTNMQWBZBSC-OAQYLSRUSA-N 1 0 399.560 4.268 50 0 GIAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2ccc([C@H]3CCCCO3)s2)CC1 ZINC000055154485 210883977 /nfs/dbraw/zinc/88/39/77/210883977.db2.gz XNRLGFSWQLCMPX-GOSISDBHSA-N 1 0 395.565 4.172 50 0 GIAARO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1F ZINC000044796687 210812019 /nfs/dbraw/zinc/81/20/19/210812019.db2.gz FFNGRQIBKDZJTL-UHFFFAOYSA-N 1 0 395.400 4.157 50 0 GIAARO CCOc1cc(CNCCC[NH2+]C)ccc1OCc1ccc(F)cc1Cl ZINC000040720228 210791027 /nfs/dbraw/zinc/79/10/27/210791027.db2.gz HLZFXDMJZHPXBL-UHFFFAOYSA-N 1 0 380.891 4.156 50 0 GIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc[nH]c2=S)cc1 ZINC000031079256 210560704 /nfs/dbraw/zinc/56/07/04/210560704.db2.gz ATPRBDAAEGAWJX-UHFFFAOYSA-N 1 0 377.513 4.029 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(F)ccc1Br ZINC000027606423 210516386 /nfs/dbraw/zinc/51/63/86/210516386.db2.gz AZIKDVDPKJSOEU-OAHLLOKOSA-N 1 0 397.313 4.217 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934554 210399826 /nfs/dbraw/zinc/39/98/26/210399826.db2.gz YOPGKTDYKHOGKL-SFHVURJKSA-N 1 0 388.515 4.291 50 0 GIAARO CC[C@H]1CCCC[N@@H+]1CCCNc1ncnc2onc(-c3ccccc3OC)c21 ZINC000021715086 210389771 /nfs/dbraw/zinc/38/97/71/210389771.db2.gz ZMLOMQUBYGWQSU-INIZCTEOSA-N 1 0 395.507 4.360 50 0 GIAARO COc1ccc(Cl)cc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000021175448 210380827 /nfs/dbraw/zinc/38/08/27/210380827.db2.gz MODKNJYPUODHAZ-KRWDZBQOSA-N 1 0 387.911 4.301 50 0 GIAARO COc1ccc(C)cc1NC(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000021174913 210380649 /nfs/dbraw/zinc/38/06/49/210380649.db2.gz VYSTXXPDBVVPBM-UHFFFAOYSA-N 1 0 381.520 4.346 50 0 GIAARO CCCCC[C@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170090 210380541 /nfs/dbraw/zinc/38/05/41/210380541.db2.gz RJELKSWVSZXBSD-ZEQRLZLVSA-N 1 0 383.532 4.276 50 0 GIAARO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1Br ZINC000021175421 210379415 /nfs/dbraw/zinc/37/94/15/210379415.db2.gz VURHHCZOLQIUSX-CQSZACIVSA-N 1 0 380.330 4.144 50 0 GIAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+]CCc1ccccc1Cl ZINC000020996907 210373030 /nfs/dbraw/zinc/37/30/30/210373030.db2.gz OBDPLKSQEKDGHU-UHFFFAOYSA-N 1 0 398.938 4.192 50 0 GIAARO Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000020995185 210372268 /nfs/dbraw/zinc/37/22/68/210372268.db2.gz ZYKJPSMLSFVFIC-ANECIQIMSA-N 1 0 397.513 4.265 50 0 GIAARO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000020867683 210364889 /nfs/dbraw/zinc/36/48/89/210364889.db2.gz OUIKVVKFASPIIM-HXUWFJFHSA-N 1 0 392.952 4.092 50 0 GIAARO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874816 210364041 /nfs/dbraw/zinc/36/40/41/210364041.db2.gz UHSKEYRBBDKNOJ-UHFFFAOYSA-N 1 0 377.912 4.487 50 0 GIAARO COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(OC)c(OC)c1)=[N+]2C ZINC000020807433 210363103 /nfs/dbraw/zinc/36/31/03/210363103.db2.gz YQHLIVTVPAOXQS-XYOKQWHBSA-N 1 0 380.464 4.210 50 0 GIAARO O[C@](c1ccccc1)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020792783 210361076 /nfs/dbraw/zinc/36/10/76/210361076.db2.gz NAOLDPFPKNQJJY-LOSJGSFVSA-N 1 0 391.486 4.178 50 0 GIAARO COc1ccc2[nH]c(CN3CCC[C@@H]([N@H+](C)CCc4ccccn4)C3)c(C)c2c1 ZINC000020598784 210351408 /nfs/dbraw/zinc/35/14/08/210351408.db2.gz GDXMJYPCIAGSQD-HXUWFJFHSA-N 1 0 392.547 4.019 50 0 GIAARO Fc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)cc1 ZINC000020600072 210350512 /nfs/dbraw/zinc/35/05/12/210350512.db2.gz AQWNXEXPTXUNOF-JOCHJYFZSA-N 1 0 387.930 4.266 50 0 GIAARO c1ccc(N2CCN([C@H]3CCC[N@H+](C4C5CC6CC(C5)CC4C6)C3)CC2)cc1 ZINC000020231877 210324686 /nfs/dbraw/zinc/32/46/86/210324686.db2.gz NYHSYLLWJIOOLU-PSRVDJKRSA-N 1 0 379.592 4.098 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)cc1 ZINC000020453899 210335553 /nfs/dbraw/zinc/33/55/53/210335553.db2.gz KKBFCPBYPNDSRB-NRFANRHFSA-N 1 0 389.499 4.167 50 0 GIAARO O[C@@H](CSc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020387488 210331410 /nfs/dbraw/zinc/33/14/10/210331410.db2.gz BHTNAJHZNPSVAI-MRXNPFEDSA-N 1 0 397.371 4.269 50 0 GIAARO CC[NH+](CC)CCN(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000020385815 210331485 /nfs/dbraw/zinc/33/14/85/210331485.db2.gz VZTRLBASMXUHDB-UHFFFAOYSA-N 1 0 378.520 4.023 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1 ZINC000019939331 210310330 /nfs/dbraw/zinc/31/03/30/210310330.db2.gz CIQHHNDFCJJEEL-QFIPXVFZSA-N 1 0 399.966 4.135 50 0 GIAARO COc1ccc(Br)cc1CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000019831719 210300837 /nfs/dbraw/zinc/30/08/37/210300837.db2.gz GCMZRPSVYZFZSL-UHFFFAOYSA-N 1 0 389.337 4.084 50 0 GIAARO COc1ccc(CN2CC[NH+](Cc3ccccc3C)CC2)cc1Br ZINC000019781813 210296757 /nfs/dbraw/zinc/29/67/57/210296757.db2.gz UTXYBHUSZWJJHZ-UHFFFAOYSA-N 1 0 389.337 4.084 50 0 GIAARO COc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1OCc1ccccc1 ZINC000019790221 210296599 /nfs/dbraw/zinc/29/65/99/210296599.db2.gz XPJFTTGNNNVPMZ-UHFFFAOYSA-N 1 0 380.532 4.334 50 0 GIAARO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000019790970 210296274 /nfs/dbraw/zinc/29/62/74/210296274.db2.gz IWGMVOJTZYEFHQ-KRWDZBQOSA-N 1 0 377.488 4.255 50 0 GIAARO Clc1ccc(CN2CCC[C@H]([NH2+]Cc3ccccc3Cn3cccn3)C2)cc1 ZINC000019595557 210274824 /nfs/dbraw/zinc/27/48/24/210274824.db2.gz AHKJSLCNHGUNAC-QHCPKHFHSA-N 1 0 394.950 4.339 50 0 GIAARO O=C(CC[C@H]1CCC[N@@H+](C2CCN(c3cccc(Cl)c3)CC2)C1)NC1CC1 ZINC000011820713 221129818 /nfs/dbraw/zinc/12/98/18/221129818.db2.gz DHYMMHOCQBFVAS-QGZVFWFLSA-N 1 0 389.971 4.080 50 0 GIAARO CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000011841450 221132196 /nfs/dbraw/zinc/13/21/96/221132196.db2.gz YNJFNHXDKNCCBC-HXUWFJFHSA-N 1 0 394.515 4.335 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000011916602 221135701 /nfs/dbraw/zinc/13/57/01/221135701.db2.gz VYQPOBUXSPKMMB-HSZRJFAPSA-N 1 0 396.531 4.439 50 0 GIAARO Cc1ccccc1C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000058161789 136154622 /nfs/dbraw/zinc/15/46/22/136154622.db2.gz JTXLQXNWQMWGFD-UHFFFAOYSA-N 1 0 386.421 4.279 50 0 GIAARO O=C1[C@H](Nc2cc[nH+]c3ccccc23)CCCN1c1ccc(OC(F)F)cc1 ZINC000072301696 136167953 /nfs/dbraw/zinc/16/79/53/136167953.db2.gz VRZOEDJOSOJPRY-LJQANCHMSA-N 1 0 383.398 4.444 50 0 GIAARO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000245663164 528646541 /nfs/dbraw/zinc/64/65/41/528646541.db2.gz AJRVBXXJBOZFDQ-IPMKNSEASA-N 1 0 382.589 4.333 50 0 GIAARO Cc1nc2c(s1)[C@H]([N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000111311919 570215780 /nfs/dbraw/zinc/21/57/80/570215780.db2.gz JDCRDEPJIGWQBI-QGZVFWFLSA-N 1 0 379.570 4.408 50 0 GIAARO CCC(C)(C)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000032513542 570219708 /nfs/dbraw/zinc/21/97/08/570219708.db2.gz ZTTZRMJOMGHNTE-OAQYLSRUSA-N 1 0 379.504 4.151 50 0 GIAARO COc1cccc(C[N@H+](C)Cc2ccc(OCc3cccnc3)cc2)c1OC ZINC000048354496 570241820 /nfs/dbraw/zinc/24/18/20/570241820.db2.gz AIODZBABHHXZDM-UHFFFAOYSA-N 1 0 378.472 4.310 50 0 GIAARO CCOCCCNC(=O)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000048366234 570245951 /nfs/dbraw/zinc/24/59/51/570245951.db2.gz YZCGRBNTZWZDJL-UHFFFAOYSA-N 1 0 378.516 4.011 50 0 GIAARO CCOCC1CC[NH+]([C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 ZINC000112993822 570262485 /nfs/dbraw/zinc/26/24/85/570262485.db2.gz NFAOSOWCIHWVII-QFIPXVFZSA-N 1 0 382.504 4.124 50 0 GIAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000049580900 570271013 /nfs/dbraw/zinc/27/10/13/570271013.db2.gz RQPSEQRYQMTJOA-SFHVURJKSA-N 1 0 378.472 4.168 50 0 GIAARO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000012297097 570294990 /nfs/dbraw/zinc/29/49/90/570294990.db2.gz MSFYWHVMDIVJMY-FUHWJXTLSA-N 1 0 387.524 4.252 50 0 GIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)c1 ZINC000012300965 570299002 /nfs/dbraw/zinc/29/90/02/570299002.db2.gz UQRPRXLENKGVCN-XMMPIXPASA-N 1 0 397.563 4.283 50 0 GIAARO C[NH+](C)Cc1ccccc1CNC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000021938466 570299923 /nfs/dbraw/zinc/29/99/23/570299923.db2.gz XUPURKUSYNSQSL-UHFFFAOYSA-N 1 0 380.463 4.396 50 0 GIAARO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000010818378 570304372 /nfs/dbraw/zinc/30/43/72/570304372.db2.gz FALYGCDCELZIHD-UHFFFAOYSA-N 1 0 375.513 4.297 50 0 GIAARO Cc1cc(C)c(-n2nnnc2C(C)(C)[NH2+]CCc2c[nH]c3ccccc23)c(C)c1 ZINC000575443844 570314628 /nfs/dbraw/zinc/31/46/28/570314628.db2.gz MPUGHYGJOPDOJS-UHFFFAOYSA-N 1 0 388.519 4.136 50 0 GIAARO COc1cc(C[NH2+]CCCOc2ccccn2)ccc1OCCc1ccccc1 ZINC000113396910 570331509 /nfs/dbraw/zinc/33/15/09/570331509.db2.gz IPHJHVHICXPIIW-UHFFFAOYSA-N 1 0 392.499 4.270 50 0 GIAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)o1 ZINC000022853575 570331630 /nfs/dbraw/zinc/33/16/30/570331630.db2.gz FTZGAOQMQDRVFR-OAQYLSRUSA-N 1 0 396.556 4.385 50 0 GIAARO Cc1ccsc1C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000022914486 570334623 /nfs/dbraw/zinc/33/46/23/570334623.db2.gz XSEFWIICFHFIGY-HXUWFJFHSA-N 1 0 389.996 4.497 50 0 GIAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1)O[C@H](C)C2 ZINC000022932596 570337568 /nfs/dbraw/zinc/33/75/68/570337568.db2.gz DOBNGPXUILNKJW-YLJYHZDGSA-N 1 0 384.520 4.319 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1SC(F)F ZINC000023174962 570347714 /nfs/dbraw/zinc/34/77/14/570347714.db2.gz UOAYINPXNBKUDF-UHFFFAOYSA-N 1 0 376.472 4.396 50 0 GIAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](CC4CCCCC4)CC3)CC2)c1C ZINC000006256681 570350830 /nfs/dbraw/zinc/35/08/30/570350830.db2.gz SOZWJINSYSFVSD-UHFFFAOYSA-N 1 0 397.607 4.244 50 0 GIAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1cccs1)N1CCCC1)O[C@@H](C)C2 ZINC000023257843 570353287 /nfs/dbraw/zinc/35/32/87/570353287.db2.gz YDXKPWSNXKLSLD-QFBILLFUSA-N 1 0 386.561 4.397 50 0 GIAARO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCCCCC4)sc3nc2c1 ZINC000004886362 570355218 /nfs/dbraw/zinc/35/52/18/570355218.db2.gz WHXJTJIQQPWANE-UHFFFAOYSA-N 1 0 397.544 4.454 50 0 GIAARO Cc1nc2ccccc2c2oc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc21 ZINC000004902175 570360403 /nfs/dbraw/zinc/36/04/03/570360403.db2.gz QNYWPZZDXOOIGP-IYBDPMFKSA-N 1 0 379.504 4.387 50 0 GIAARO Cc1ccc2cc3cc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)oc3nc2c1 ZINC000004906435 570362326 /nfs/dbraw/zinc/36/23/26/570362326.db2.gz WQMSEVDJUYHLRE-CALCHBBNSA-N 1 0 379.504 4.387 50 0 GIAARO CCCCc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)[C@@H](C)c3cccnc3)c2)n1 ZINC000023541218 570364655 /nfs/dbraw/zinc/36/46/55/570364655.db2.gz YNCDMEQGAFRQGG-KRWDZBQOSA-N 1 0 376.504 4.368 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1csc2ccccc21 ZINC000575619442 570368117 /nfs/dbraw/zinc/36/81/17/570368117.db2.gz FHHMCCPXWQOFAA-HNNXBMFYSA-N 1 0 393.434 4.348 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000575620091 570368855 /nfs/dbraw/zinc/36/88/55/570368855.db2.gz IQSBJKVWCYTSNY-INIZCTEOSA-N 1 0 392.377 4.364 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1csc(-c2cccs2)n1 ZINC000023740611 570371354 /nfs/dbraw/zinc/37/13/54/570371354.db2.gz BQMZYPSYDCWHCY-KRWDZBQOSA-N 1 0 383.542 4.439 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2)cc1)c1cccs1 ZINC000023845959 570373537 /nfs/dbraw/zinc/37/35/37/570373537.db2.gz KAXSOJNNBNLAAM-HXUWFJFHSA-N 1 0 380.513 4.360 50 0 GIAARO CC(C)c1ccc(NC(=O)N2CCC[N@H+](CCOc3ccccc3)CC2)cc1 ZINC000004395048 570373786 /nfs/dbraw/zinc/37/37/86/570373786.db2.gz HPBNPGYTVZEICU-UHFFFAOYSA-N 1 0 381.520 4.429 50 0 GIAARO [NH2+]=C(Nc1ccccc1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000004457403 570375992 /nfs/dbraw/zinc/37/59/92/570375992.db2.gz RWVFCPQLJKJLPA-UHFFFAOYSA-N 1 0 385.880 4.174 50 0 GIAARO COc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CC[NH+](C(C)C)CC1 ZINC000004950134 570379723 /nfs/dbraw/zinc/37/97/23/570379723.db2.gz MRMCXCPEGZCYLD-OAQYLSRUSA-N 1 0 391.515 4.439 50 0 GIAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(CC)sc2n1 ZINC000035509822 570381934 /nfs/dbraw/zinc/38/19/34/570381934.db2.gz FNBIITGKAUERHJ-UHFFFAOYSA-N 1 0 384.549 4.249 50 0 GIAARO CC(C)[NH+]1CCC(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000024353026 570382514 /nfs/dbraw/zinc/38/25/14/570382514.db2.gz WHFSHROWEDFZEZ-UHFFFAOYSA-N 1 0 375.516 4.292 50 0 GIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cccc(F)c2)cc1 ZINC000024445235 570383950 /nfs/dbraw/zinc/38/39/50/570383950.db2.gz ZASBIECPIVXLKE-UHFFFAOYSA-N 1 0 398.503 4.033 50 0 GIAARO CC[C@@H](CNC(=O)c1ccc(SCc2csc(C)n2)cc1)[NH+]1CCCC1 ZINC000024797412 570393476 /nfs/dbraw/zinc/39/34/76/570393476.db2.gz OQZNGASRXLQLMA-SFHVURJKSA-N 1 0 389.590 4.348 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC000024841689 570396053 /nfs/dbraw/zinc/39/60/53/570396053.db2.gz CJHQDMMMFIPYNE-IRLDBZIGSA-N 1 0 378.516 4.068 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)C1 ZINC000005035013 570403619 /nfs/dbraw/zinc/40/36/19/570403619.db2.gz IOZPOLXFWTYGRT-IYBDPMFKSA-N 1 0 399.966 4.475 50 0 GIAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@H](C)CC)CC3)c(C)o2)cc1 ZINC000005043495 570405224 /nfs/dbraw/zinc/40/52/24/570405224.db2.gz RHFKLSMGPOMZDH-MRXNPFEDSA-N 1 0 383.536 4.339 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cccnc1Oc1ccccc1)c1cccc(F)c1 ZINC000025382876 570412481 /nfs/dbraw/zinc/41/24/81/570412481.db2.gz NYXOFULRVNWMTE-FQEVSTJZSA-N 1 0 379.435 4.046 50 0 GIAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(I)c1OC ZINC000005063592 570427887 /nfs/dbraw/zinc/42/78/87/570427887.db2.gz COYKAXGBMVERAO-UHFFFAOYSA-N 1 0 389.277 4.121 50 0 GIAARO CCc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027581670 570436449 /nfs/dbraw/zinc/43/64/49/570436449.db2.gz QPJBXVPDAXPJGY-HSZRJFAPSA-N 1 0 380.532 4.280 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027581552 570436516 /nfs/dbraw/zinc/43/65/16/570436516.db2.gz CWACDFNRGZQZEL-FQEVSTJZSA-N 1 0 386.923 4.371 50 0 GIAARO CCc1ccc([C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000027597552 570437420 /nfs/dbraw/zinc/43/74/20/570437420.db2.gz BOKIFRIKFONPOA-LJQANCHMSA-N 1 0 378.438 4.229 50 0 GIAARO Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027664532 570439661 /nfs/dbraw/zinc/43/96/61/570439661.db2.gz JTEOLBAXLISEKO-HXUWFJFHSA-N 1 0 386.923 4.289 50 0 GIAARO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027747889 570441717 /nfs/dbraw/zinc/44/17/17/570441717.db2.gz DKJQUFJXAVZSAB-QFIPXVFZSA-N 1 0 396.531 4.441 50 0 GIAARO CCCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000027747100 570441724 /nfs/dbraw/zinc/44/17/24/570441724.db2.gz VWEMGBSMRUKBEL-HSZRJFAPSA-N 1 0 396.531 4.441 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccc(OCC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027746391 570441789 /nfs/dbraw/zinc/44/17/89/570441789.db2.gz CHSNQNDBWOKSKA-QHCPKHFHSA-N 1 0 396.531 4.297 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027793087 570442618 /nfs/dbraw/zinc/44/26/18/570442618.db2.gz FHFOEMMVJZZRTP-NRFANRHFSA-N 1 0 386.923 4.289 50 0 GIAARO Cc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1-c1cc(C)ccc1C ZINC000125910627 570452379 /nfs/dbraw/zinc/45/23/79/570452379.db2.gz IDZRRLVWVIYFMU-UHFFFAOYSA-N 1 0 376.504 4.420 50 0 GIAARO COc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc1OCc1ccccc1 ZINC000016600089 570452926 /nfs/dbraw/zinc/45/29/26/570452926.db2.gz JJCICFMEUYEMIP-UHFFFAOYSA-N 1 0 384.520 4.123 50 0 GIAARO CN(c1nc(-c2cccs2)nc2sc3c(c21)CCC3)C1CC[NH+](C)CC1 ZINC000006510423 570462426 /nfs/dbraw/zinc/46/24/26/570462426.db2.gz OGSWIAAVLPYPGN-UHFFFAOYSA-N 1 0 384.574 4.439 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000043549669 570470867 /nfs/dbraw/zinc/47/08/67/570470867.db2.gz CQATXEVPJJOUJR-KRWDZBQOSA-N 1 0 397.475 4.280 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(COc2ccccc2)cc1 ZINC000006580966 570483219 /nfs/dbraw/zinc/48/32/19/570483219.db2.gz WYNLVKWXDXUKQH-JOCHJYFZSA-N 1 0 390.483 4.426 50 0 GIAARO CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000064593976 570490573 /nfs/dbraw/zinc/49/05/73/570490573.db2.gz JSCLFDZBSGURJO-UHFFFAOYSA-N 1 0 395.934 4.301 50 0 GIAARO C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000030545437 570491015 /nfs/dbraw/zinc/49/10/15/570491015.db2.gz URYXGVMRBSFYJP-SFHVURJKSA-N 1 0 385.471 4.092 50 0 GIAARO O=C(Cn1ccc2c1cccc2Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032091099 570508109 /nfs/dbraw/zinc/50/81/09/570508109.db2.gz TVFMOIOLWWCOMI-UHFFFAOYSA-N 1 0 381.907 4.076 50 0 GIAARO C[C@H](NC(=O)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1)c1ccc(F)cc1 ZINC000064669611 570514699 /nfs/dbraw/zinc/51/46/99/570514699.db2.gz UGBNHZMASYKORJ-KRWDZBQOSA-N 1 0 393.506 4.407 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cccc3cccnc32)[NH+]2CCCCC2)cc1 ZINC000006647869 570517258 /nfs/dbraw/zinc/51/72/58/570517258.db2.gz FAYSYFSEXBEUOW-JOCHJYFZSA-N 1 0 389.499 4.200 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2Cc3ccccc3S2)c2cccs2)CC1 ZINC000022681491 570518939 /nfs/dbraw/zinc/51/89/39/570518939.db2.gz WUVUZYDPPBWKDP-FXAWDEMLSA-N 1 0 386.586 4.354 50 0 GIAARO Cc1ccc(-c2cc3c(N4CC[NH+](Cc5ccccc5)CC4)nccn3n2)cc1C ZINC000033266314 570522164 /nfs/dbraw/zinc/52/21/64/570522164.db2.gz YTBFMMKFHNKLIX-UHFFFAOYSA-N 1 0 397.526 4.335 50 0 GIAARO CC1CCN(c2c(C(=O)c3ccccc3)c[nH+]c3cc4c(cc32)OCCO4)CC1 ZINC000036058116 570524231 /nfs/dbraw/zinc/52/42/31/570524231.db2.gz RWVRJEBOKBOQMN-UHFFFAOYSA-N 1 0 388.467 4.473 50 0 GIAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)CSc3ccccc3)sc2c1 ZINC000005239554 570524876 /nfs/dbraw/zinc/52/48/76/570524876.db2.gz QYPJUSXJSWKVJR-UHFFFAOYSA-N 1 0 385.558 4.292 50 0 GIAARO C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008497940 570532965 /nfs/dbraw/zinc/53/29/65/570532965.db2.gz GMFDBVJPPKFKDQ-LBPRGKRZSA-N 1 0 384.701 4.152 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)cc1 ZINC000036102352 570538874 /nfs/dbraw/zinc/53/88/74/570538874.db2.gz WNOVMFBYFKOYGZ-QFIPXVFZSA-N 1 0 395.474 4.276 50 0 GIAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)Cc1ccccc1 ZINC000036104615 570541386 /nfs/dbraw/zinc/54/13/86/570541386.db2.gz PHUPJSLWIIVUMD-QHCPKHFHSA-N 1 0 389.495 4.330 50 0 GIAARO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)o2)cc1 ZINC000032970904 570554992 /nfs/dbraw/zinc/55/49/92/570554992.db2.gz WFAJUZJAAOBGMT-KRWDZBQOSA-N 1 0 382.485 4.243 50 0 GIAARO CCOc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccc(C)cc1 ZINC000010314123 570568535 /nfs/dbraw/zinc/56/85/35/570568535.db2.gz ZWUWOPCFRWRUEB-UHFFFAOYSA-N 1 0 379.504 4.349 50 0 GIAARO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000225409587 570570793 /nfs/dbraw/zinc/57/07/93/570570793.db2.gz NHPHCBOMXGUBIK-DNVCBOLYSA-N 1 0 381.524 4.087 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cccnc1Sc1ccccc1)c1cccc(F)c1 ZINC000032983592 570572572 /nfs/dbraw/zinc/57/25/72/570572572.db2.gz JBWQDVSMOVJCJQ-FQEVSTJZSA-N 1 0 395.503 4.405 50 0 GIAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C1CCCC1 ZINC000006769595 570579439 /nfs/dbraw/zinc/57/94/39/570579439.db2.gz GQCICNXARDAFEE-NHCUHLMSSA-N 1 0 384.907 4.343 50 0 GIAARO O=C(CC1CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011716268 570580582 /nfs/dbraw/zinc/58/05/82/570580582.db2.gz XSNFJFSKIQOVPV-QFIPXVFZSA-N 1 0 376.491 4.360 50 0 GIAARO C=Cc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)cc1 ZINC000011813048 570582925 /nfs/dbraw/zinc/58/29/25/570582925.db2.gz AOIUDKYIDNAYKN-UHFFFAOYSA-N 1 0 380.507 4.495 50 0 GIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1C1CCSCC1 ZINC000011872985 570589440 /nfs/dbraw/zinc/58/94/40/570589440.db2.gz GXCZEFKOEAFQLH-IBGZPJMESA-N 1 0 383.517 4.172 50 0 GIAARO CC(=O)c1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1 ZINC000011874393 570589837 /nfs/dbraw/zinc/58/98/37/570589837.db2.gz MKKBXBKMLSIYCT-GOSISDBHSA-N 1 0 377.410 4.062 50 0 GIAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccco3)O2)CC1 ZINC000011881524 570591767 /nfs/dbraw/zinc/59/17/67/570591767.db2.gz HDHMNXYYOITSCQ-HCUHUEOSSA-N 1 0 394.515 4.127 50 0 GIAARO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](C3CCSCC3)C2)cc(OC)c1 ZINC000011947517 570595404 /nfs/dbraw/zinc/59/54/04/570595404.db2.gz UZLSVYIFTCEYFB-MRXNPFEDSA-N 1 0 392.565 4.030 50 0 GIAARO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH2+]CCC(C)C ZINC000003164074 570595571 /nfs/dbraw/zinc/59/55/71/570595571.db2.gz NTHGFXQTQQSNIT-UHFFFAOYSA-N 1 0 388.533 4.474 50 0 GIAARO COc1ccccc1C[NH+]1CCC2(C[C@@H]2C(=O)NCCCc2ccccc2)CC1 ZINC000011964792 570596268 /nfs/dbraw/zinc/59/62/68/570596268.db2.gz IITMOADGMJQHQY-JOCHJYFZSA-N 1 0 392.543 4.046 50 0 GIAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc(Cl)c3)CC2)O1)c1ccccc1 ZINC000012036550 570599918 /nfs/dbraw/zinc/59/99/18/570599918.db2.gz SWGXITVDRBKALU-OAQYLSRUSA-N 1 0 398.934 4.284 50 0 GIAARO O=C(CCOc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccs2)C1 ZINC000012040977 570600432 /nfs/dbraw/zinc/60/04/32/570600432.db2.gz PHXNDZFZBRPHDQ-NQIIRXRSSA-N 1 0 384.545 4.030 50 0 GIAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](CO)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000012056934 570602661 /nfs/dbraw/zinc/60/26/61/570602661.db2.gz JIMRBUSZHKXWNQ-HXUWFJFHSA-N 1 0 375.516 4.360 50 0 GIAARO OC[C@@]1(CCCc2ccccc2)CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000012073084 570604670 /nfs/dbraw/zinc/60/46/70/570604670.db2.gz SDLDULIYKQVGBC-VWLOTQADSA-N 1 0 389.543 4.470 50 0 GIAARO COc1ccc(C[NH2+]Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000040739144 570611208 /nfs/dbraw/zinc/61/12/08/570611208.db2.gz PESCMCIHLZSGHA-UHFFFAOYSA-N 1 0 390.483 4.311 50 0 GIAARO COc1cc(C[NH2+]CCCCO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040744118 570613555 /nfs/dbraw/zinc/61/35/55/570613555.db2.gz COEUNJKFEKCEFO-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO CCCC[NH+](CCCC)CCCn1cnc2c3ccc(OC)cc3[nH]c2c1=O ZINC000005500133 570614774 /nfs/dbraw/zinc/61/47/74/570614774.db2.gz CMTVYXRHWGCRQA-UHFFFAOYSA-N 1 0 384.524 4.179 50 0 GIAARO C[NH+](C)CCCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000005508969 570617822 /nfs/dbraw/zinc/61/78/22/570617822.db2.gz KIWQUPWEVKGZBZ-UHFFFAOYSA-N 1 0 395.528 4.169 50 0 GIAARO COc1cccc(C2=NN(C(=O)C[N@H+](C)C(C)C)[C@@H](c3ccccc3C)C2)c1 ZINC000036344970 570627653 /nfs/dbraw/zinc/62/76/53/570627653.db2.gz AFAZYRTXNAQPMH-JOCHJYFZSA-N 1 0 379.504 4.022 50 0 GIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000012300924 570635807 /nfs/dbraw/zinc/63/58/07/570635807.db2.gz KZAGGPABTHHEJN-SFHVURJKSA-N 1 0 375.468 4.119 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2cc(F)ccc2-n2cccn2)cnn1-c1ccccc1 ZINC000012303545 570637508 /nfs/dbraw/zinc/63/75/08/570637508.db2.gz NZLLROQIVANOJR-INIZCTEOSA-N 1 0 375.451 4.356 50 0 GIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c1C ZINC000012303782 570637605 /nfs/dbraw/zinc/63/76/05/570637605.db2.gz IMTPPTCQUCWDEK-SFHVURJKSA-N 1 0 386.515 4.290 50 0 GIAARO Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)n1 ZINC000012303928 570637619 /nfs/dbraw/zinc/63/76/19/570637619.db2.gz FUHKTLRGPYVSSV-INIZCTEOSA-N 1 0 391.437 4.051 50 0 GIAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C[C@H]4CC=CCC4)CC3)cc2)n1 ZINC000012315207 570640708 /nfs/dbraw/zinc/64/07/08/570640708.db2.gz DAMBYYWOSBBESL-FQEVSTJZSA-N 1 0 392.547 4.496 50 0 GIAARO Cc1ccccc1C[C@@]1(CO)CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012316493 570641259 /nfs/dbraw/zinc/64/12/59/570641259.db2.gz PVZTYPCEKFLPDV-DEOSSOPVSA-N 1 0 375.516 4.202 50 0 GIAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000012317699 570641974 /nfs/dbraw/zinc/64/19/74/570641974.db2.gz FKJFKRVRDQUGEO-QHCPKHFHSA-N 1 0 399.498 4.265 50 0 GIAARO Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCCC[NH+]2CCCCCC2)n1 ZINC000065010103 570646295 /nfs/dbraw/zinc/64/62/95/570646295.db2.gz PSKJFEBPHRJJEU-UHFFFAOYSA-N 1 0 396.491 4.096 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cc(SC)ccc2Cl)[NH+](C)C)cc1 ZINC000006865390 570654786 /nfs/dbraw/zinc/65/47/86/570654786.db2.gz LLWPUMKFYHZTGM-SFHVURJKSA-N 1 0 378.925 4.103 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000005573465 570658655 /nfs/dbraw/zinc/65/86/55/570658655.db2.gz NAHAMSZDJSUXQT-UHFFFAOYSA-N 1 0 391.515 4.372 50 0 GIAARO CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(OCc3ccccc3)c2)C1 ZINC000012456499 570669284 /nfs/dbraw/zinc/66/92/84/570669284.db2.gz GTFPSKMWRGZSOU-VWNXMTODSA-N 1 0 378.516 4.098 50 0 GIAARO CCS[C@@H]1CCCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000153107103 570671713 /nfs/dbraw/zinc/67/17/13/570671713.db2.gz FHYLIPZVOKXSDQ-CQSZACIVSA-N 1 0 395.366 4.329 50 0 GIAARO CSCC[C@H](C)[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000012587430 570685663 /nfs/dbraw/zinc/68/56/63/570685663.db2.gz FEIMGUFBZCWGTC-SFHVURJKSA-N 1 0 390.593 4.298 50 0 GIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012589966 570686594 /nfs/dbraw/zinc/68/65/94/570686594.db2.gz BBHGBRVRECAXDS-ZLHKHBAESA-N 1 0 379.456 4.032 50 0 GIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012589972 570686607 /nfs/dbraw/zinc/68/66/07/570686607.db2.gz BBHGBRVRECAXDS-QTWIXLPOSA-N 1 0 379.456 4.032 50 0 GIAARO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c(C)c1 ZINC000055226502 570687857 /nfs/dbraw/zinc/68/78/57/570687857.db2.gz JVTVAQPMKDGZPG-JOCHJYFZSA-N 1 0 391.559 4.039 50 0 GIAARO COc1cc2c(C(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)c[nH]c2cc1Cl ZINC000242155974 570688733 /nfs/dbraw/zinc/68/87/33/570688733.db2.gz WUWACZBPSNOCCP-CYBMUJFWSA-N 1 0 377.916 4.070 50 0 GIAARO Cc1ccc(C[N@H+](CCn2c(=O)oc3ccccc32)Cc2ccncc2)s1 ZINC000055368610 570692699 /nfs/dbraw/zinc/69/26/99/570692699.db2.gz NWKQHGRVFXWWGY-UHFFFAOYSA-N 1 0 379.485 4.062 50 0 GIAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](CC(C)(C)CO)C3)cc2)c1 ZINC000012706694 570700683 /nfs/dbraw/zinc/70/06/83/570700683.db2.gz VPXUPAPVQKQXNK-FQEVSTJZSA-N 1 0 396.531 4.031 50 0 GIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000012718723 570705854 /nfs/dbraw/zinc/70/58/54/570705854.db2.gz ZTVJXDROYPJYES-QGZVFWFLSA-N 1 0 388.508 4.367 50 0 GIAARO COc1ccc2oc(C)c(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2c1 ZINC000058114998 570709860 /nfs/dbraw/zinc/70/98/60/570709860.db2.gz SKEINOBWAHOWGW-LJQANCHMSA-N 1 0 392.499 4.392 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccco2)c1)C1CCCCC1 ZINC000058156351 570711382 /nfs/dbraw/zinc/71/13/82/570711382.db2.gz NKQCFRBJDKGDQA-IBGZPJMESA-N 1 0 398.507 4.164 50 0 GIAARO COCCn1cnn(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)c1=S ZINC000058161894 570713051 /nfs/dbraw/zinc/71/30/51/570713051.db2.gz LYVZJUBUVBQNNM-UHFFFAOYSA-N 1 0 380.945 4.121 50 0 GIAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)nc2ccccc21 ZINC000248140476 570721051 /nfs/dbraw/zinc/72/10/51/570721051.db2.gz BQDGSRFPDRETLJ-HXUWFJFHSA-N 1 0 390.531 4.146 50 0 GIAARO CCOCCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248241778 570722343 /nfs/dbraw/zinc/72/23/43/570722343.db2.gz CHAYUWCTHBCBGO-UHFFFAOYSA-N 1 0 384.911 4.163 50 0 GIAARO Cc1ccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccnc2)cc1 ZINC000000898405 570723272 /nfs/dbraw/zinc/72/32/72/570723272.db2.gz SKPKBKVNCZMXSV-UHFFFAOYSA-N 1 0 379.533 4.216 50 0 GIAARO O=C(Nc1ccc(OCc2cccs2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058265891 570723740 /nfs/dbraw/zinc/72/37/40/570723740.db2.gz HDDPSOLFOIKJQQ-SFHVURJKSA-N 1 0 385.533 4.419 50 0 GIAARO CC(C)OCCC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000253375087 570732701 /nfs/dbraw/zinc/73/27/01/570732701.db2.gz ONPZTYVOTOHKTM-UHFFFAOYSA-N 1 0 382.483 4.037 50 0 GIAARO O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000059887171 570740036 /nfs/dbraw/zinc/74/00/36/570740036.db2.gz IKAFFYAAKJJXNW-UHFFFAOYSA-N 1 0 384.442 4.313 50 0 GIAARO Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000063846285 570751366 /nfs/dbraw/zinc/75/13/66/570751366.db2.gz YKEPMEJGKNGIKN-NRFANRHFSA-N 1 0 387.483 4.064 50 0 GIAARO C[N@H+](CCNc1nnc(-c2nc(C3CC3)no2)c2ccccc21)C1CCCCC1 ZINC000065258312 570759858 /nfs/dbraw/zinc/75/98/58/570759858.db2.gz QFOHETLRGLYQFM-UHFFFAOYSA-N 1 0 392.507 4.234 50 0 GIAARO C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000007050219 570764820 /nfs/dbraw/zinc/76/48/20/570764820.db2.gz HJEBFMLALYDXOI-LBPRGKRZSA-N 1 0 396.299 4.219 50 0 GIAARO COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3C[NH+](C)C)ccc2c1 ZINC000007064586 570782709 /nfs/dbraw/zinc/78/27/09/570782709.db2.gz BKPXABJLLHORIT-KRWDZBQOSA-N 1 0 376.500 4.330 50 0 GIAARO Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036659883 570783343 /nfs/dbraw/zinc/78/33/43/570783343.db2.gz KZDJMTWVLRAXDJ-HXUWFJFHSA-N 1 0 375.472 4.217 50 0 GIAARO COc1ccc([C@H](CNC(=O)[C@H]2CCCc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000032759024 570798123 /nfs/dbraw/zinc/79/81/23/570798123.db2.gz PAVHRJCDVRXTBY-ZEQRLZLVSA-N 1 0 392.543 4.459 50 0 GIAARO FC(F)Oc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000005939203 570806051 /nfs/dbraw/zinc/80/60/51/570806051.db2.gz WPESIMXNTMFNFU-UHFFFAOYSA-N 1 0 391.487 4.239 50 0 GIAARO Cc1ccc(Cl)cc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccccn1 ZINC000004669526 570816870 /nfs/dbraw/zinc/81/68/70/570816870.db2.gz ILGSKFCDDWAPGP-HNNXBMFYSA-N 1 0 376.957 4.365 50 0 GIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000012516265 570825635 /nfs/dbraw/zinc/82/56/35/570825635.db2.gz DHNCEZPVPCZAAI-NRFANRHFSA-N 1 0 396.494 4.030 50 0 GIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000012516262 570825699 /nfs/dbraw/zinc/82/56/99/570825699.db2.gz DHNCEZPVPCZAAI-OAQYLSRUSA-N 1 0 396.494 4.030 50 0 GIAARO O=C(N1CCc2ccccc2C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000065514094 570828709 /nfs/dbraw/zinc/82/87/09/570828709.db2.gz KYDUGHAEDRPGEW-NRFANRHFSA-N 1 0 388.433 4.026 50 0 GIAARO c1c(-c2ccc3c(c2)OCO3)nc2n1c1ccccc1n2CC[NH+]1CCCCC1 ZINC000005706326 570833407 /nfs/dbraw/zinc/83/34/07/570833407.db2.gz FAFMGQNWIUJQKL-UHFFFAOYSA-N 1 0 388.471 4.171 50 0 GIAARO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000170623173 570881337 /nfs/dbraw/zinc/88/13/37/570881337.db2.gz PPHMYBXWOOFAAA-HIFRSBDPSA-N 1 0 392.345 4.119 50 0 GIAARO O=C(NCCCn1ccc2ccccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012607377 570889101 /nfs/dbraw/zinc/88/91/01/570889101.db2.gz HPUIJCAVMBRBDU-UHFFFAOYSA-N 1 0 375.516 4.447 50 0 GIAARO CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2ccc3[nH+]ccc(N)c3c2)cc1 ZINC000534587802 570905406 /nfs/dbraw/zinc/90/54/06/570905406.db2.gz RJXOOVGMRDSTKB-IBGZPJMESA-N 1 0 375.472 4.125 50 0 GIAARO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000032909077 570910205 /nfs/dbraw/zinc/91/02/05/570910205.db2.gz WRTUEGUHJIBRCH-FPOVZHCZSA-N 1 0 399.629 4.275 50 0 GIAARO Cc1cc(C)c(OCCOCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Br)c1 ZINC000002822865 570933299 /nfs/dbraw/zinc/93/32/99/570933299.db2.gz SIRQYOHQTBOJBG-HOTGVXAUSA-N 1 0 384.358 4.439 50 0 GIAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000032930735 570944033 /nfs/dbraw/zinc/94/40/33/570944033.db2.gz UTXCWTOPAUPOBF-SFHVURJKSA-N 1 0 375.516 4.401 50 0 GIAARO Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000001281056 570953884 /nfs/dbraw/zinc/95/38/84/570953884.db2.gz QDINBRCYNUCMQI-DEOSSOPVSA-N 1 0 383.499 4.178 50 0 GIAARO CC[NH+]1CCC(CCNC(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)CC1 ZINC000252487921 570969873 /nfs/dbraw/zinc/96/98/73/570969873.db2.gz IEULPXXMEVEZMU-GOSISDBHSA-N 1 0 383.540 4.044 50 0 GIAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(s2)c(Cl)ccc3C)no1 ZINC000012229584 570972483 /nfs/dbraw/zinc/97/24/83/570972483.db2.gz GUYDLLVZWAUBEV-UHFFFAOYSA-N 1 0 392.912 4.153 50 0 GIAARO CSc1ccc(/C=C/C(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000252491521 570973812 /nfs/dbraw/zinc/97/38/12/570973812.db2.gz LNVXYBJSRIUIJY-QPJJXVBHSA-N 1 0 390.618 4.146 50 0 GIAARO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)c2)CC1 ZINC000252508250 570978798 /nfs/dbraw/zinc/97/87/98/570978798.db2.gz XIBPHKCZWXUDJI-QGZVFWFLSA-N 1 0 398.473 4.023 50 0 GIAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccc(Cl)c2)C[C@H]1C ZINC000252513169 570982774 /nfs/dbraw/zinc/98/27/74/570982774.db2.gz XTGAMMLNBCQPQQ-CBISJHAASA-N 1 0 392.971 4.290 50 0 GIAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000108392358 570988546 /nfs/dbraw/zinc/98/85/46/570988546.db2.gz XPAAYKNJEAYROX-ZFWWWQNUSA-N 1 0 376.909 4.393 50 0 GIAARO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCCSc2ccccc2Cl)C[C@@H](C)O1 ZINC000084706158 571032203 /nfs/dbraw/zinc/03/22/03/571032203.db2.gz CUWCYLZBUJHGLP-KURKYZTESA-N 1 0 383.001 4.396 50 0 GIAARO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCCSc2ccccc2Cl)C[C@H](C)O1 ZINC000084706152 571032322 /nfs/dbraw/zinc/03/23/22/571032322.db2.gz CUWCYLZBUJHGLP-KSZLIROESA-N 1 0 383.001 4.396 50 0 GIAARO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000072294889 571094913 /nfs/dbraw/zinc/09/49/13/571094913.db2.gz VRAOOQYRYOMGMW-GCJKJVERSA-N 1 0 376.504 4.365 50 0 GIAARO CN(C)C(=O)c1cc[nH]c1[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000409420147 823220759 /nfs/dbraw/zinc/22/07/59/823220759.db2.gz DCCSWPCUQSXLBW-OAHLLOKOSA-N 1 0 379.426 4.115 50 0 GIAARO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(C[NH+](C(C)C)C(C)C)c2c1 ZINC000003371391 817443991 /nfs/dbraw/zinc/44/39/91/817443991.db2.gz QDGZOMMOKSFCHM-UHFFFAOYSA-N 1 0 399.582 4.071 50 0 GIAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1ccc(OC)cc1 ZINC000003665511 817494110 /nfs/dbraw/zinc/49/41/10/817494110.db2.gz FEIUIGATIQJJGS-UHFFFAOYSA-N 1 0 375.538 4.219 50 0 GIAARO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057315196 823279093 /nfs/dbraw/zinc/27/90/93/823279093.db2.gz HEPQNPXZZGUDQZ-NSHDSACASA-N 1 0 381.259 4.069 50 0 GIAARO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000057449349 823298633 /nfs/dbraw/zinc/29/86/33/823298633.db2.gz LZEZOGLVKMNPGG-KRWDZBQOSA-N 1 0 390.483 4.410 50 0 GIAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000057455940 823299309 /nfs/dbraw/zinc/29/93/09/823299309.db2.gz XBIANOJYTYWWJD-JOCHJYFZSA-N 1 0 399.922 4.392 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 ZINC000007988500 817976853 /nfs/dbraw/zinc/97/68/53/817976853.db2.gz TUGKIKQCZNTMFZ-LJQANCHMSA-N 1 0 393.512 4.033 50 0 GIAARO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000008025783 817985292 /nfs/dbraw/zinc/98/52/92/817985292.db2.gz IRRUNVBRNPYYES-NRFANRHFSA-N 1 0 393.556 4.409 50 0 GIAARO Cc1cc(N2CCN(c3nncc(-c4cccc5ccccc54)n3)CC2)cc(C)[nH+]1 ZINC000011772155 818119432 /nfs/dbraw/zinc/11/94/32/818119432.db2.gz OASNRJVAFPKWAG-UHFFFAOYSA-N 1 0 396.498 4.030 50 0 GIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cccc4cnccc43)C2)c1 ZINC000011814094 818123411 /nfs/dbraw/zinc/12/34/11/818123411.db2.gz HOBRDOPYGVKRNP-XMMPIXPASA-N 1 0 376.500 4.061 50 0 GIAARO Clc1cccc(-c2cnnc(NC3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000011818141 818123808 /nfs/dbraw/zinc/12/38/08/818123808.db2.gz KZAQRFBSPPVTKS-UHFFFAOYSA-N 1 0 379.895 4.269 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cc1O ZINC000011912093 818128565 /nfs/dbraw/zinc/12/85/65/818128565.db2.gz LNJCZSZDNOLKNM-IBGZPJMESA-N 1 0 377.488 4.479 50 0 GIAARO CN(C)C(=O)c1ccc(N2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000011965694 818132796 /nfs/dbraw/zinc/13/27/96/818132796.db2.gz BOVJTBAREIREKX-HSZRJFAPSA-N 1 0 377.532 4.024 50 0 GIAARO O=C(c1ccc(F)cc1)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000012041207 818138353 /nfs/dbraw/zinc/13/83/53/818138353.db2.gz WARWXFTWIZNOSV-UHFFFAOYSA-N 1 0 396.506 4.495 50 0 GIAARO CN(Cc1cccnc1)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076862 818140537 /nfs/dbraw/zinc/14/05/37/818140537.db2.gz IVQJOOUFQPXZJG-HXUWFJFHSA-N 1 0 391.481 4.487 50 0 GIAARO COc1ccc2cc(C[NH2+]C3CCCCCC3)c(N3CCC[C@H](CO)C3)nc2c1 ZINC000012245558 818148832 /nfs/dbraw/zinc/14/88/32/818148832.db2.gz OAGOTOJYTQJOMM-SFHVURJKSA-N 1 0 397.563 4.265 50 0 GIAARO Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000012458297 818161888 /nfs/dbraw/zinc/16/18/88/818161888.db2.gz DQZYTKMEEFDMDB-QGZVFWFLSA-N 1 0 379.479 4.257 50 0 GIAARO COCc1ccc(C[NH+]2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)o1 ZINC000012580053 818167661 /nfs/dbraw/zinc/16/76/61/818167661.db2.gz GECRLQBMIMYVFB-UHFFFAOYSA-N 1 0 384.520 4.077 50 0 GIAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012716270 818177613 /nfs/dbraw/zinc/17/76/13/818177613.db2.gz OHJLPIPLVVOWAB-QHCPKHFHSA-N 1 0 395.934 4.343 50 0 GIAARO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000012742660 818180451 /nfs/dbraw/zinc/18/04/51/818180451.db2.gz VRJATRZGOOUNAM-ZRDIBKRKSA-N 1 0 382.479 4.150 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)CCc3ccccc3)cc2C)CC1 ZINC000057866406 823343051 /nfs/dbraw/zinc/34/30/51/823343051.db2.gz MUNUBRCTTZCTRL-HXUWFJFHSA-N 1 0 394.563 4.280 50 0 GIAARO Cc1csc(C[N@@H+](C)[C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)n1 ZINC000020449037 818622357 /nfs/dbraw/zinc/62/23/57/818622357.db2.gz COEDAPAMSDHDHY-INIZCTEOSA-N 1 0 377.941 4.118 50 0 GIAARO Cc1csc(C[N@@H+](C)[C@@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)n1 ZINC000020449040 818622388 /nfs/dbraw/zinc/62/23/88/818622388.db2.gz COEDAPAMSDHDHY-MRXNPFEDSA-N 1 0 377.941 4.118 50 0 GIAARO Fc1ccc(Nc2ncc(C[N@@H+]3CCC[C@H](Cn4ccnc4)C3)s2)c(F)c1 ZINC000023340432 818924160 /nfs/dbraw/zinc/92/41/60/818924160.db2.gz YWVWFLHZTUQFNJ-AWEZNQCLSA-N 1 0 389.475 4.274 50 0 GIAARO CC(C)[N@H+](C)Cc1cccc(-c2nc([C@@H](C)Oc3ccccc3)cc(=O)[nH]2)c1 ZINC000023505728 818950480 /nfs/dbraw/zinc/95/04/80/818950480.db2.gz SNAIWOZKYNHJBC-QGZVFWFLSA-N 1 0 377.488 4.417 50 0 GIAARO Cc1nc(COc2cccc(C(=O)Nc3ccccc3C[NH+](C)C)c2)cs1 ZINC000031232152 820774997 /nfs/dbraw/zinc/77/49/97/820774997.db2.gz FDFBYBLZOXEPIY-UHFFFAOYSA-N 1 0 381.501 4.344 50 0 GIAARO Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031619589 820834965 /nfs/dbraw/zinc/83/49/65/820834965.db2.gz YRSGNFTXHOWSIZ-UHFFFAOYSA-N 1 0 375.472 4.284 50 0 GIAARO O=C(NCc1cccc2ccccc21)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038489597 821096825 /nfs/dbraw/zinc/09/68/25/821096825.db2.gz YTVYFNMRRXQIMR-UHFFFAOYSA-N 1 0 377.488 4.144 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Nc2nnc(C3CC3)s2)C1 ZINC000040119126 821141517 /nfs/dbraw/zinc/14/15/17/821141517.db2.gz CAZKFHAMSCAPJM-GASCZTMLSA-N 1 0 399.564 4.215 50 0 GIAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000040121153 821142408 /nfs/dbraw/zinc/14/24/08/821142408.db2.gz FFFZVTZYSXXVGX-UHFFFAOYSA-N 1 0 379.863 4.047 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)COc2ccccc2-c2ccccc2)C1 ZINC000040121342 821142609 /nfs/dbraw/zinc/14/26/09/821142609.db2.gz OKZMUTKVRBNEQE-WOJBJXKFSA-N 1 0 380.532 4.217 50 0 GIAARO COc1ccc(CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1F ZINC000040121403 821143318 /nfs/dbraw/zinc/14/33/18/821143318.db2.gz IDVGUURFJOPUNV-QZTJIDSGSA-N 1 0 398.522 4.171 50 0 GIAARO Cn1c2ccccc2c(Cl)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040143282 821148164 /nfs/dbraw/zinc/14/81/64/821148164.db2.gz YJOCHPKETVAYEZ-UHFFFAOYSA-N 1 0 381.907 4.226 50 0 GIAARO CC(C)(C)[C@@H]([NH2+]CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc(F)cc1 ZINC000040149159 821149607 /nfs/dbraw/zinc/14/96/07/821149607.db2.gz XWTNDXJKLRMYDP-SFHVURJKSA-N 1 0 389.515 4.495 50 0 GIAARO CCN(C(=O)c1cc2ccc(OC)cc2[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000040158081 821152705 /nfs/dbraw/zinc/15/27/05/821152705.db2.gz ZSOIKDLXWXGAML-FXAWDEMLSA-N 1 0 391.515 4.474 50 0 GIAARO CC(C)CC[N@H+](C1CCOCC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000169760592 823912656 /nfs/dbraw/zinc/91/26/56/823912656.db2.gz YCNZCAUQHPINSL-UHFFFAOYSA-N 1 0 391.531 4.349 50 0 GIAARO O=C(C1CCCC1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776780 823915668 /nfs/dbraw/zinc/91/56/68/823915668.db2.gz VEIKMLYEZFACCK-HSZRJFAPSA-N 1 0 396.575 4.381 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCOC2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000169792414 823916778 /nfs/dbraw/zinc/91/67/78/823916778.db2.gz VKRWNJYFIPTEEQ-HXUWFJFHSA-N 1 0 384.545 4.034 50 0 GIAARO O=C(Nc1ncc(Cc2ccccc2Cl)s1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170719287 823953079 /nfs/dbraw/zinc/95/30/79/823953079.db2.gz FNPJULSAWCDFEN-OAHLLOKOSA-N 1 0 390.940 4.089 50 0 GIAARO Cc1cnc(C2CCOCC2)n1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575550874 823976087 /nfs/dbraw/zinc/97/60/87/823976087.db2.gz YXLDCNJMSWCNOW-HXUWFJFHSA-N 1 0 378.520 4.024 50 0 GIAARO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000019362861 210244594 /nfs/dbraw/zinc/24/45/94/210244594.db2.gz PIKHSBZMEUHSQC-UHFFFAOYSA-N 1 0 389.337 4.084 50 0 GIAARO COc1cccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1OC ZINC000019360232 210243700 /nfs/dbraw/zinc/24/37/00/210243700.db2.gz JGFIHXCXISJFIC-UHFFFAOYSA-N 1 0 376.500 4.175 50 0 GIAARO CO[C@]12CC[N@H+](Cc3cccc(O)c3Cl)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426661159 231250636 /nfs/dbraw/zinc/25/06/36/231250636.db2.gz CCXXJWMOAOBUMP-DJPFJPOOSA-N 1 0 388.895 4.032 50 0 GIAARO CC[C@H](O)c1ccc(-c2ccc(C(=O)N3CC([NH+]4CCCCC4)C3)cc2)cc1 ZINC000426429128 529712066 /nfs/dbraw/zinc/71/20/66/529712066.db2.gz ZFAXASAUASKMOW-QHCPKHFHSA-N 1 0 378.516 4.107 50 0 GIAARO COc1cccc(C[NH2+]C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)c1OCc1ccccc1 ZINC000017971922 210211980 /nfs/dbraw/zinc/21/19/80/210211980.db2.gz YXVBZMIRKOUTQV-KVEMZPMDSA-N 1 0 393.527 4.448 50 0 GIAARO C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)[C@H]1CCCc2ccccc21 ZINC000016699250 210194939 /nfs/dbraw/zinc/19/49/39/210194939.db2.gz UOGDRVAVQZEZCF-SFHVURJKSA-N 1 0 380.410 4.180 50 0 GIAARO C[NH+]1CCC(NC(=O)c2sc3cc(Br)ccc3c2Cl)CC1 ZINC000016603747 210191788 /nfs/dbraw/zinc/19/17/88/210191788.db2.gz ONGBLFVSRBAGMP-UHFFFAOYSA-N 1 0 387.730 4.141 50 0 GIAARO Cc1nc(-c2ccccc2)ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016199630 210187578 /nfs/dbraw/zinc/18/75/78/210187578.db2.gz SEGSQTMVDUJVJD-UHFFFAOYSA-N 1 0 385.511 4.451 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccc(C(C)(C)C)cc1 ZINC000015859883 210174239 /nfs/dbraw/zinc/17/42/39/210174239.db2.gz XWMHUGGOMJOXBC-HXUWFJFHSA-N 1 0 392.499 4.123 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCCCC2)o1 ZINC000015860190 210173872 /nfs/dbraw/zinc/17/38/72/210173872.db2.gz BMWQCTLYQGCRRX-IBGZPJMESA-N 1 0 390.911 4.272 50 0 GIAARO C[N@H+](CCNC(=O)c1ccc(N2CCc3ccccc32)s1)C1CCCCC1 ZINC000015732283 210166059 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[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000013027209 210047062 /nfs/dbraw/zinc/04/70/62/210047062.db2.gz DWHKJPIEOSOJIE-JOCHJYFZSA-N 1 0 392.466 4.136 50 0 GIAARO C[C@@H]([NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCCC1 ZINC000012993666 210041347 /nfs/dbraw/zinc/04/13/47/210041347.db2.gz ZRZHCTVODUXGCZ-VQIMIIECSA-N 1 0 381.545 4.352 50 0 GIAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000012973944 210037050 /nfs/dbraw/zinc/03/70/50/210037050.db2.gz CIWAWHLWWPDTOK-OAQYLSRUSA-N 1 0 377.488 4.129 50 0 GIAARO O=C([C@@H](NCc1ccccc1C[NH+]1CCCC1)c1ccccc1)N1CCCCC1 ZINC000012903710 210026156 /nfs/dbraw/zinc/02/61/56/210026156.db2.gz LDJZGMLORUPDSM-DEOSSOPVSA-N 1 0 391.559 4.126 50 0 GIAARO C[N@H+](CCC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1C(F)(F)F ZINC000012876495 210022929 /nfs/dbraw/zinc/02/29/29/210022929.db2.gz HPSKPOPVESDGMH-UHFFFAOYSA-N 1 0 394.441 4.478 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(-n3cccn3)c2)cnn1-c1cccc(F)c1 ZINC000012302109 209934558 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GIAARO COc1cccc(NC(=S)N(CCC[NH+]2CCCCC2)Cc2ccco2)c1 ZINC000003662355 209452393 /nfs/dbraw/zinc/45/23/93/209452393.db2.gz FYKOZIZPFBOKRP-UHFFFAOYSA-N 1 0 387.549 4.363 50 0 GIAARO CC[NH+]1CCN(c2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000002921831 209399176 /nfs/dbraw/zinc/39/91/76/209399176.db2.gz OLHMNXPZHZJWFS-UHFFFAOYSA-N 1 0 392.572 4.303 50 0 GIAARO OCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000002877378 209394167 /nfs/dbraw/zinc/39/41/67/209394167.db2.gz SONUNVYKENPMQP-UHFFFAOYSA-N 1 0 382.273 4.029 50 0 GIAARO Clc1cc(Br)ccc1OCCOCC[NH+]1CCCCCC1 ZINC000002838847 209389968 /nfs/dbraw/zinc/38/99/68/209389968.db2.gz PGIUKOQJPFLKEM-UHFFFAOYSA-N 1 0 376.722 4.374 50 0 GIAARO CC1CC[NH+](Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)CC1 ZINC000002467093 209366406 /nfs/dbraw/zinc/36/64/06/209366406.db2.gz ZHZXUOQAMWLUQB-UHFFFAOYSA-N 1 0 391.338 4.452 50 0 GIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccs1 ZINC000002427137 209363625 /nfs/dbraw/zinc/36/36/25/209363625.db2.gz JUFWPDXGENEJHJ-IBGZPJMESA-N 1 0 396.512 4.132 50 0 GIAARO C[NH+](C)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2c(cccc2F)s1 ZINC000010061592 209321332 /nfs/dbraw/zinc/32/13/32/209321332.db2.gz NWFQUYINNZRAGU-UHFFFAOYSA-N 1 0 397.928 4.288 50 0 GIAARO COc1cccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)c1OC ZINC000000809666 209267736 /nfs/dbraw/zinc/26/77/36/209267736.db2.gz GBTWBJLHCODVDI-UHFFFAOYSA-N 1 0 394.519 4.152 50 0 GIAARO CC(C)(C)NC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000785870 209265483 /nfs/dbraw/zinc/26/54/83/209265483.db2.gz APLBXJBOVAPHKG-UHFFFAOYSA-N 1 0 380.532 4.392 50 0 GIAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH2+]C(C)C)c1ccccc1CC2 ZINC000000754979 209263918 /nfs/dbraw/zinc/26/39/18/209263918.db2.gz SQAQIDLYUARPAI-UHFFFAOYSA-N 1 0 381.476 4.016 50 0 GIAARO O=C(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000000537822 209250140 /nfs/dbraw/zinc/25/01/40/209250140.db2.gz LNEPOXFFQSENCJ-UHFFFAOYSA-N 1 0 375.871 4.426 50 0 fda GIAARO Cc1cc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4)CC3)c2c(C)c1Cl ZINC000019371088 209235821 /nfs/dbraw/zinc/23/58/21/209235821.db2.gz GNPXPALSUXAUSZ-UHFFFAOYSA-N 1 0 396.918 4.381 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2Br)cc1 ZINC000016779850 209235343 /nfs/dbraw/zinc/23/53/43/209235343.db2.gz GUTQRWJYZHFBED-UHFFFAOYSA-N 1 0 375.310 4.221 50 0 GIAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccncc2)cs1 ZINC000004916235 212064398 /nfs/dbraw/zinc/06/43/98/212064398.db2.gz FUIKLHKXWWGMNL-WBMJQRKESA-N 1 0 382.411 4.212 50 0 GIAARO COc1ccccc1Oc1ncccc1C[NH2+]Cc1cccn1-c1cccnc1 ZINC000055272032 212058936 /nfs/dbraw/zinc/05/89/36/212058936.db2.gz NIXIZKMEMAGVSC-UHFFFAOYSA-N 1 0 386.455 4.358 50 0 GIAARO CCCc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)n(C)n1 ZINC000299782602 212037880 /nfs/dbraw/zinc/03/78/80/212037880.db2.gz VGIIJPFJANNGLD-OTWHNJEPSA-N 1 0 377.492 4.116 50 0 GIAARO CC(C)c1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)n(C)n1 ZINC000299783300 212037390 /nfs/dbraw/zinc/03/73/90/212037390.db2.gz YNGGQBCLUBXKNK-UHOSZYNNSA-N 1 0 377.492 4.287 50 0 GIAARO FC(F)(F)c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2C1CC[NH2+]CC1 ZINC000299765008 212032931 /nfs/dbraw/zinc/03/29/31/212032931.db2.gz YMZWGZISKJFIQS-UHFFFAOYSA-N 1 0 389.377 4.375 50 0 GIAARO CCC[NH+]1CCC2(CC1)c1ccccc1[C@@H](NC(C)=O)[C@@H]2OCc1ccccc1 ZINC000299764541 212032745 /nfs/dbraw/zinc/03/27/45/212032745.db2.gz ALVYBIGSTWHMRP-RPWUZVMVSA-N 1 0 392.543 4.206 50 0 GIAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000225577130 211906485 /nfs/dbraw/zinc/90/64/85/211906485.db2.gz ANUCICPZXSRYDC-MRXNPFEDSA-N 1 0 387.471 4.044 50 0 GIAARO COC(OC)c1ccc(F)c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000328593699 209144102 /nfs/dbraw/zinc/14/41/02/209144102.db2.gz ZSKAUUQVPPXDME-OAQYLSRUSA-N 1 0 387.451 4.129 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccoc2)CC1 ZINC000011998989 209137736 /nfs/dbraw/zinc/13/77/36/209137736.db2.gz PZVXQFHTNUGXJH-HSZRJFAPSA-N 1 0 396.531 4.121 50 0 GIAARO Cc1c(C(=O)NCCC(C)C)c(C(F)(F)F)nn1C1CC[NH+](C(C)C)CC1 ZINC000049362772 211458000 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C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000096151459 211311139 /nfs/dbraw/zinc/31/11/39/211311139.db2.gz PVERKIKIRYWBSN-QGZVFWFLSA-N 1 0 381.524 4.196 50 0 GIAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000096012407 211294909 /nfs/dbraw/zinc/29/49/09/211294909.db2.gz XPAAYKNJEAYROX-UKRRQHHQSA-N 1 0 376.909 4.393 50 0 GIAARO O=C(Nc1ccccc1SCc1cccc(Cl)c1)N1CCC[NH2+]CC1 ZINC000096139280 211307201 /nfs/dbraw/zinc/30/72/01/211307201.db2.gz NOZNBBINEQIGBJ-UHFFFAOYSA-N 1 0 375.925 4.460 50 0 GIAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000095526034 211273264 /nfs/dbraw/zinc/27/32/64/211273264.db2.gz VJRYQYLSNXSGQC-SNAWJCMRSA-N 1 0 382.527 4.212 50 0 GIAARO [NH3+]CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000095526958 211272021 /nfs/dbraw/zinc/27/20/21/211272021.db2.gz SNNWHMSYLFEJMD-HXUWFJFHSA-N 1 0 387.405 4.010 50 0 GIAARO CCc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]1 ZINC000095524204 211270942 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COc1ccc([C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2C[NH+]2CCC(C)CC2)cc1 ZINC000034692540 210661096 /nfs/dbraw/zinc/66/10/96/210661096.db2.gz KIZWDBRIURFPJM-GMAHTHKFSA-N 1 0 384.564 4.159 50 0 GIAARO Cc1ccc(-c2nn(CN3CCC(C[NH+]4CCCCCC4)CC3)c(=S)[nH]2)cc1 ZINC000032926904 210602496 /nfs/dbraw/zinc/60/24/96/210602496.db2.gz DLKJXTFVNADBLZ-UHFFFAOYSA-N 1 0 399.608 4.462 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1csc(-c2ccco2)n1)c1ccsc1 ZINC000031984231 210569457 /nfs/dbraw/zinc/56/94/57/210569457.db2.gz VCRBAUMDLNGQMU-OAHLLOKOSA-N 1 0 375.519 4.278 50 0 GIAARO Cc1ccc(C2(c3noc(CN4CCC([NH+]5CCCC5)CC4)n3)CCCC2)cc1 ZINC000012429421 210489938 /nfs/dbraw/zinc/48/99/38/210489938.db2.gz RFEOSCMGUCGURT-UHFFFAOYSA-N 1 0 394.563 4.298 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1csc(-c2cccs2)n1 ZINC000023740605 210453673 /nfs/dbraw/zinc/45/36/73/210453673.db2.gz BQMZYPSYDCWHCY-QGZVFWFLSA-N 1 0 383.542 4.439 50 0 GIAARO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023118770 210434722 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COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000021174906 210380103 /nfs/dbraw/zinc/38/01/03/210380103.db2.gz PONMDLJPPXERMO-UHFFFAOYSA-N 1 0 397.519 4.046 50 0 GIAARO O=C(COc1ccc(Cl)cc1)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021170793 210379792 /nfs/dbraw/zinc/37/97/92/210379792.db2.gz NDSJXWUBLIUBQC-IBGZPJMESA-N 1 0 378.944 4.366 50 0 GIAARO Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c(C)c1 ZINC000021172416 210379544 /nfs/dbraw/zinc/37/95/44/210379544.db2.gz QQYLUNAVUWHEMY-LJQANCHMSA-N 1 0 390.531 4.125 50 0 GIAARO COc1cc(Br)cc(C[NH2+]CCc2c[nH]c3ccccc23)c1OC ZINC000020933839 210371068 /nfs/dbraw/zinc/37/10/68/210371068.db2.gz REFFACQJAFEWAW-UHFFFAOYSA-N 1 0 389.293 4.280 50 0 GIAARO Cc1c2cccc(C)c2[nH]c1CN1CCC[C@H]([N@H+](C)CCc2ccccn2)C1 ZINC000020775741 210361293 /nfs/dbraw/zinc/36/12/93/210361293.db2.gz IKKQOKDWGWJDLR-NRFANRHFSA-N 1 0 376.548 4.319 50 0 GIAARO COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)C[C@@H](O)c3ccccc3)ccc2c1 ZINC000020780753 210360823 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50 0 GIAARO O[C@@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000020218830 210324931 /nfs/dbraw/zinc/32/49/31/210324931.db2.gz PXRQAJQMGGXGBO-SFHVURJKSA-N 1 0 384.829 4.214 50 0 GIAARO c1ccc(N2CCN([C@@H]3CCC[N@H+](C4C5CC6CC(C5)CC4C6)C3)CC2)cc1 ZINC000020231871 210324370 /nfs/dbraw/zinc/32/43/70/210324370.db2.gz NYHSYLLWJIOOLU-OZNCPOJCSA-N 1 0 379.592 4.098 50 0 GIAARO CCCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440754 210333011 /nfs/dbraw/zinc/33/30/11/210333011.db2.gz RZLQUASGHIXFJM-ZEQRLZLVSA-N 1 0 383.532 4.189 50 0 GIAARO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000019939920 210310563 /nfs/dbraw/zinc/31/05/63/210310563.db2.gz XXFFITKWDFVHJA-UYXFXHDXSA-N 1 0 397.582 4.237 50 0 GIAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]CCCN2CCOCC2)cc1 ZINC000019871631 210303859 /nfs/dbraw/zinc/30/38/59/210303859.db2.gz BPJQTXBDNZNFPI-UHFFFAOYSA-N 1 0 390.527 4.231 50 0 GIAARO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019829381 210299500 /nfs/dbraw/zinc/29/95/00/210299500.db2.gz BFDOXMLVGVGTAH-QFIPXVFZSA-N 1 0 399.538 4.286 50 0 GIAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000019922771 210306532 /nfs/dbraw/zinc/30/65/32/210306532.db2.gz AHXZIWLPQAPOAT-IBGZPJMESA-N 1 0 398.890 4.146 50 0 GIAARO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000019790969 210295535 /nfs/dbraw/zinc/29/55/35/210295535.db2.gz IWGMVOJTZYEFHQ-QGZVFWFLSA-N 1 0 377.488 4.255 50 0 GIAARO Clc1ccccc1Cc1noc(CN2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC000019637977 210277278 /nfs/dbraw/zinc/27/72/78/210277278.db2.gz JNBKUOZLVRWSEA-UHFFFAOYSA-N 1 0 388.943 4.154 50 0 GIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](C/C=C/C(C)C)C2)c(OC)c1 ZINC000011841799 221132242 /nfs/dbraw/zinc/13/22/42/221132242.db2.gz OOXBZZCCWFNLJF-XZXOBPBMSA-N 1 0 388.552 4.024 50 0 GIAARO C[C@H](CCc1c[nH]c2ccccc12)[N@H+]1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000012130997 221157665 /nfs/dbraw/zinc/15/76/65/221157665.db2.gz BRJXCAPUPZTBAD-LJQANCHMSA-N 1 0 399.542 4.230 50 0 GIAARO O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)NC1CCCCC1 ZINC000016994904 221375384 /nfs/dbraw/zinc/37/53/84/221375384.db2.gz XHDCSMGUWLABHM-UHFFFAOYSA-O 1 0 393.338 4.145 50 0 GIAARO Cc1n[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)c1Cl ZINC000426535594 533670529 /nfs/dbraw/zinc/67/05/29/533670529.db2.gz BTHJTNLVMNQXCO-OAQYLSRUSA-N 1 0 392.975 4.156 50 0 GIAARO C[N@H+](CCc1ccccn1)C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000048234117 132430108 /nfs/dbraw/zinc/43/01/08/132430108.db2.gz SBZAKPROURURGP-UHFFFAOYSA-N 1 0 378.545 4.348 50 0 GIAARO Cc1csc(C[N@@H+](C)C2CCN(c3cccc(-c4ccnc(C)n4)c3)CC2)n1 ZINC000063857122 136156554 /nfs/dbraw/zinc/15/65/54/136156554.db2.gz WFMNEWSUWOEGDB-UHFFFAOYSA-N 1 0 393.560 4.318 50 0 GIAARO Cc1ccc(N2CCC3(CCC[N@@H+]3Cc3ccc([C@@H]4CCCO4)s3)CC2)nn1 ZINC000072424262 136169801 /nfs/dbraw/zinc/16/98/01/136169801.db2.gz LQQFKZBPZLMXEH-IBGZPJMESA-N 1 0 398.576 4.333 50 0 GIAARO CCCc1cc(N2CCC([NH2+]Cc3c(F)cccc3Cl)CC2)nc(C)n1 ZINC000095512010 136180764 /nfs/dbraw/zinc/18/07/64/136180764.db2.gz XGCZWYSTUSOLMD-UHFFFAOYSA-N 1 0 376.907 4.289 50 0 GIAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000011936576 534462702 /nfs/dbraw/zinc/46/27/02/534462702.db2.gz TVSAAKVHZYTNPT-QGZVFWFLSA-N 1 0 375.428 4.143 50 0 GIAARO Cn1c(C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc2ccccc21 ZINC000409413538 534678616 /nfs/dbraw/zinc/67/86/16/534678616.db2.gz BZWKNVPOTFOSOP-DAVFGYKESA-N 1 0 389.543 4.214 50 0 GIAARO Clc1cccc(N2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000000757901 526979373 /nfs/dbraw/zinc/97/93/73/526979373.db2.gz AAGNNPJQKVQGBQ-UHFFFAOYSA-N 1 0 383.967 4.169 50 0 GIAARO CC(C)c1ccc(CN2CCC[C@]3(CC[N@H+](Cc4cscn4)C3)C2=O)cc1 ZINC000426593857 528092487 /nfs/dbraw/zinc/09/24/87/528092487.db2.gz TXUPZVVBMIPDHF-JOCHJYFZSA-N 1 0 383.561 4.281 50 0 GIAARO CCC(=O)c1cccc(-c2ccc(C(=O)N(CC)C[C@H]3CC[N@H+](C)C3)cc2)c1 ZINC000426478941 528468711 /nfs/dbraw/zinc/46/87/11/528468711.db2.gz OMUZOMDJTAYJFJ-SFHVURJKSA-N 1 0 378.516 4.360 50 0 GIAARO CC(C)c1nccn1Cc1cccc(NC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000048251797 570226986 /nfs/dbraw/zinc/22/69/86/570226986.db2.gz PXVUKTWAFQIOLO-UHFFFAOYSA-N 1 0 383.540 4.051 50 0 GIAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N(Cc1ccco1)Cc1ccco1 ZINC000048309333 570232719 /nfs/dbraw/zinc/23/27/19/570232719.db2.gz JTZOCMHVFHJOSE-UHFFFAOYSA-N 1 0 378.472 4.314 50 0 GIAARO Cc1cccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1 ZINC000049420997 570267106 /nfs/dbraw/zinc/26/71/06/570267106.db2.gz SIWPSRJTHABWIW-JOCHJYFZSA-N 1 0 386.499 4.011 50 0 GIAARO C[NH+](C)CCCNC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000049549226 570269744 /nfs/dbraw/zinc/26/97/44/570269744.db2.gz HZBIOZUETCKCCV-UHFFFAOYSA-N 1 0 375.925 4.086 50 0 GIAARO COc1cc(C[NH+]2CCC(c3nccn3C)CC2)c(Cl)cc1OC(C)C ZINC000215164531 570286013 /nfs/dbraw/zinc/28/60/13/570286013.db2.gz UMZWFUFJXXWXEI-UHFFFAOYSA-N 1 0 377.916 4.249 50 0 GIAARO CC(C)CNC(=O)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000034668627 570293139 /nfs/dbraw/zinc/29/31/39/570293139.db2.gz DUNLYASDHLPHJZ-UHFFFAOYSA-N 1 0 385.939 4.048 50 0 GIAARO COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C[NH+]2CCCCC2)c1 ZINC000034698593 570299132 /nfs/dbraw/zinc/29/91/32/570299132.db2.gz VWBMRUOSNWKUBI-UPVQGACJSA-N 1 0 392.543 4.345 50 0 GIAARO CCCC[NH+]1CCC(N(c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000034680509 570299455 /nfs/dbraw/zinc/29/94/55/570299455.db2.gz GWRJANWBCYDKFU-UHFFFAOYSA-N 1 0 386.561 4.455 50 0 GIAARO CC[C@@H](C)NC(=O)c1cccc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)c1 ZINC000034684967 570301788 /nfs/dbraw/zinc/30/17/88/570301788.db2.gz BQZTZGNOSJEZCA-LJQANCHMSA-N 1 0 392.543 4.338 50 0 GIAARO COc1cccc(C[N@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)c1 ZINC000022240782 570309898 /nfs/dbraw/zinc/30/98/98/570309898.db2.gz FQLINUOWZIKRRO-JOCHJYFZSA-N 1 0 377.484 4.234 50 0 GIAARO COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCC[NH+](C)C ZINC000072233847 570319488 /nfs/dbraw/zinc/31/94/88/570319488.db2.gz JHIODMHIYGRNFE-UHFFFAOYSA-N 1 0 396.487 4.169 50 0 GIAARO COc1cc(OC)cc([C@H](Nc2nc3ccccc3s2)c2nccn2C)c1 ZINC000022015757 570319825 /nfs/dbraw/zinc/31/98/25/570319825.db2.gz LDOCPLFFRKAKSK-SFHVURJKSA-N 1 0 380.473 4.249 50 0 GIAARO O[C@H](C[NH2+]CCc1ccccc1)CN1c2ccccc2Sc2ccccc21 ZINC000002980018 570322234 /nfs/dbraw/zinc/32/22/34/570322234.db2.gz QYDAVASGWIIARR-LJQANCHMSA-N 1 0 376.525 4.483 50 0 GIAARO COc1cc(C[NH2+]CCCOc2ccccn2)ccc1OCc1ccc(F)cc1 ZINC000113397022 570331440 /nfs/dbraw/zinc/33/14/40/570331440.db2.gz IJPLZTYRFQYKJX-UHFFFAOYSA-N 1 0 396.462 4.367 50 0 GIAARO Cc1oc(-c2ccco2)nc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000023358191 570356155 /nfs/dbraw/zinc/35/61/55/570356155.db2.gz WPCHTOJUHYCHTA-UHFFFAOYSA-N 1 0 381.520 4.185 50 0 GIAARO Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2ccccc2Br)C1 ZINC000575616886 570359524 /nfs/dbraw/zinc/35/95/24/570359524.db2.gz KUBGSRNGVZORBN-CQSZACIVSA-N 1 0 384.277 4.194 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1csc2ccccc21 ZINC000575619448 570367967 /nfs/dbraw/zinc/36/79/67/570367967.db2.gz FHHMCCPXWQOFAA-OAHLLOKOSA-N 1 0 393.434 4.348 50 0 GIAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000237463599 570370296 /nfs/dbraw/zinc/37/02/96/570370296.db2.gz ZKYDOAUGWKWADZ-HOTGVXAUSA-N 1 0 393.462 4.347 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000023740545 570371256 /nfs/dbraw/zinc/37/12/56/570371256.db2.gz MHNGNLKNWXQAPS-LJQANCHMSA-N 1 0 392.528 4.102 50 0 GIAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)o1 ZINC000023846668 570373578 /nfs/dbraw/zinc/37/35/78/570373578.db2.gz ZIXOPYJVGGVSEZ-UHFFFAOYSA-N 1 0 380.463 4.208 50 0 GIAARO Cc1ccc([C@H](C)CC[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)o1 ZINC000012448060 570380815 /nfs/dbraw/zinc/38/08/15/570380815.db2.gz HCTUNMWUNYBBFT-GOSISDBHSA-N 1 0 383.536 4.285 50 0 GIAARO CC(C)C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000035509774 570381944 /nfs/dbraw/zinc/38/19/44/570381944.db2.gz XVBZLLVSXUTITE-UHFFFAOYSA-N 1 0 388.512 4.072 50 0 GIAARO O=C(NCCSCc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024749258 570391307 /nfs/dbraw/zinc/39/13/07/570391307.db2.gz GTRKIIDDMGIWMV-UHFFFAOYSA-N 1 0 383.561 4.015 50 0 GIAARO O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000005050798 570406230 /nfs/dbraw/zinc/40/62/30/570406230.db2.gz IJMHEWOLKCLJSW-UHFFFAOYSA-N 1 0 382.529 4.398 50 0 GIAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc([C@@H](C)O)cc3)o2)cc1OC ZINC000004942988 570418899 /nfs/dbraw/zinc/41/88/99/570418899.db2.gz PEBPEKGWFZSTDU-MRXNPFEDSA-N 1 0 381.472 4.349 50 0 GIAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccc(F)cc1Cl ZINC000004998061 570422620 /nfs/dbraw/zinc/42/26/20/570422620.db2.gz SWHKTNRHWQQQAE-KRWDZBQOSA-N 1 0 379.859 4.335 50 0 GIAARO Clc1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc2c1OCCCO2 ZINC000026308090 570424515 /nfs/dbraw/zinc/42/45/15/570424515.db2.gz OGUSALAZAXEFAM-QGZVFWFLSA-N 1 0 376.884 4.021 50 0 GIAARO CC[NH+](CC)CCn1c(N)c(C(=O)Nc2ccccc2Cl)sc1=S ZINC000032952400 570429694 /nfs/dbraw/zinc/42/96/94/570429694.db2.gz LDDVOTIAVBBMQZ-UHFFFAOYSA-N 1 0 384.958 4.109 50 0 GIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000242346919 570432812 /nfs/dbraw/zinc/43/28/12/570432812.db2.gz ZKFNNBYGYKJSND-IFMALSPDSA-N 1 0 398.572 4.289 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000244724044 570433203 /nfs/dbraw/zinc/43/32/03/570433203.db2.gz MMLKZEXUTIUWKX-QFIPXVFZSA-N 1 0 387.527 4.499 50 0 GIAARO CN(C)C(=O)c1cccc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000248036362 570436297 /nfs/dbraw/zinc/43/62/97/570436297.db2.gz UVYRWEOXXMGJIK-DNQXCXABSA-N 1 0 391.559 4.017 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1ccc(Br)o1 ZINC000027663930 570439195 /nfs/dbraw/zinc/43/91/95/570439195.db2.gz ALKDTCCYRWXJTJ-GFCCVEGCSA-N 1 0 383.311 4.061 50 0 GIAARO Cc1c2cc(Br)ccc2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027663442 570439271 /nfs/dbraw/zinc/43/92/71/570439271.db2.gz WVTNXDSNTASMKP-UHFFFAOYSA-N 1 0 393.325 4.498 50 0 GIAARO O=C(COc1cccc(Cl)c1)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027741183 570440635 /nfs/dbraw/zinc/44/06/35/570440635.db2.gz PHDICRLWPZAMNI-QGZVFWFLSA-N 1 0 378.925 4.124 50 0 GIAARO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027747878 570441771 /nfs/dbraw/zinc/44/17/71/570441771.db2.gz DKJQUFJXAVZSAB-JOCHJYFZSA-N 1 0 396.531 4.441 50 0 GIAARO Cc1ccc2nc(C)cc(C(=O)N3CCC[N@H+](Cc4cccs4)CC3)c2c1 ZINC000028036602 570449873 /nfs/dbraw/zinc/44/98/73/570449873.db2.gz XGAMXHPMJNVCIX-UHFFFAOYSA-N 1 0 379.529 4.261 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000028288901 570455053 /nfs/dbraw/zinc/45/50/53/570455053.db2.gz AUNZDMBGQJYUOA-FQEVSTJZSA-N 1 0 390.483 4.058 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000028288898 570455091 /nfs/dbraw/zinc/45/50/91/570455091.db2.gz AUNZDMBGQJYUOA-HXUWFJFHSA-N 1 0 390.483 4.058 50 0 GIAARO Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)c12 ZINC000156189204 570455319 /nfs/dbraw/zinc/45/53/19/570455319.db2.gz DKDQWMLLXNUNTD-SWLSCSKDSA-N 1 0 398.894 4.051 50 0 GIAARO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+](C)C)cc1 ZINC000028289741 570455590 /nfs/dbraw/zinc/45/55/90/570455590.db2.gz QRPLYYLUPULQKH-SFHVURJKSA-N 1 0 398.890 4.096 50 0 GIAARO C[NH2+]C[C@H]1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)C1 ZINC000178974276 570464077 /nfs/dbraw/zinc/46/40/77/570464077.db2.gz UFFNTXQQQXGSAA-OAHLLOKOSA-N 1 0 398.890 4.347 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OCC(C)C)c3)cc2)CC1 ZINC000006517654 570464718 /nfs/dbraw/zinc/46/47/18/570464718.db2.gz FJIIAWRSMBQUQC-UHFFFAOYSA-N 1 0 381.520 4.116 50 0 GIAARO COc1cc(-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)cc(OC)c1OC ZINC000134802544 570470270 /nfs/dbraw/zinc/47/02/70/570470270.db2.gz YGIZAKIBKVATSY-UHFFFAOYSA-N 1 0 395.459 4.025 50 0 GIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 ZINC000006586407 570484009 /nfs/dbraw/zinc/48/40/09/570484009.db2.gz YCHQNAWIPGSTPQ-UHFFFAOYSA-N 1 0 393.487 4.065 50 0 GIAARO COc1cc(C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc(OC)c1OC ZINC000033018794 570518423 /nfs/dbraw/zinc/51/84/23/570518423.db2.gz VKSBESMKKUBIRF-UHFFFAOYSA-N 1 0 397.471 4.068 50 0 GIAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)s2)ccc1OCC(N)=O ZINC000033087214 570519856 /nfs/dbraw/zinc/51/98/56/570519856.db2.gz ZACQSTKMQRNZRV-QGZVFWFLSA-N 1 0 388.533 4.047 50 0 GIAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2sccc2C)ccc1OCC(N)=O ZINC000033087212 570519900 /nfs/dbraw/zinc/51/99/00/570519900.db2.gz YWIDIKXQJINPCX-QGZVFWFLSA-N 1 0 388.533 4.047 50 0 GIAARO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCc1ccccc1F ZINC000008327043 570528436 /nfs/dbraw/zinc/52/84/36/570528436.db2.gz IHYFIERXHWKXRY-MRXNPFEDSA-N 1 0 381.875 4.317 50 0 GIAARO C[NH+](C)CCCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000008373849 570529988 /nfs/dbraw/zinc/52/99/88/570529988.db2.gz GGVZVVHKBQSEDM-UHFFFAOYSA-N 1 0 395.316 4.209 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2)c1 ZINC000036098254 570536654 /nfs/dbraw/zinc/53/66/54/570536654.db2.gz PHKDFIIULRANAV-QFIPXVFZSA-N 1 0 377.484 4.137 50 0 GIAARO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102577 570539558 /nfs/dbraw/zinc/53/95/58/570539558.db2.gz HQXPEUZDCQTYLY-JOCHJYFZSA-N 1 0 393.458 4.160 50 0 GIAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103509 570540151 /nfs/dbraw/zinc/54/01/51/570540151.db2.gz VQSPZTBPJMCFLC-NRFANRHFSA-N 1 0 385.504 4.467 50 0 GIAARO O=C(NCc1ccc(F)cc1Cl)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818089 570553317 /nfs/dbraw/zinc/55/33/17/570553317.db2.gz RAQZPYBXHXJRCS-UHFFFAOYSA-N 1 0 376.834 4.067 50 0 GIAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511221 570553851 /nfs/dbraw/zinc/55/38/51/570553851.db2.gz PFRNYTSCACLBBY-INIZCTEOSA-N 1 0 387.281 4.473 50 0 GIAARO COc1cc(Cl)cc(C[NH2+]CCCn2ccnc2)c1OCc1ccccc1 ZINC000010314154 570568447 /nfs/dbraw/zinc/56/84/47/570568447.db2.gz JKOIKVWAIAIYBY-UHFFFAOYSA-N 1 0 385.895 4.304 50 0 GIAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000269293464 570576456 /nfs/dbraw/zinc/57/64/56/570576456.db2.gz VHYPZNYJPOATIY-CHWSQXEVSA-N 1 0 394.302 4.380 50 0 GIAARO COc1cc(O)ccc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000011662103 570577368 /nfs/dbraw/zinc/57/73/68/570577368.db2.gz ZWUBHVWPDRFCPM-LJQANCHMSA-N 1 0 383.488 4.283 50 0 GIAARO COc1cc(O)ccc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000011662104 570577436 /nfs/dbraw/zinc/57/74/36/570577436.db2.gz ZWUBHVWPDRFCPM-IBGZPJMESA-N 1 0 383.488 4.283 50 0 GIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000011664133 570577875 /nfs/dbraw/zinc/57/78/75/570577875.db2.gz JHZTVMGSGHAQGP-QHCPKHFHSA-N 1 0 379.479 4.033 50 0 GIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000011663188 570578000 /nfs/dbraw/zinc/57/80/00/570578000.db2.gz LXNGDJFWAFLRCO-DEOSSOPVSA-N 1 0 375.516 4.284 50 0 GIAARO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3)CC2)o1 ZINC000011714120 570580493 /nfs/dbraw/zinc/58/04/93/570580493.db2.gz CKSBEIOUHYBMRK-UHFFFAOYSA-N 1 0 378.476 4.128 50 0 GIAARO O=C(/C=C/c1ccco1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000011710313 570580610 /nfs/dbraw/zinc/58/06/10/570580610.db2.gz RIBVJLBTVLRPDZ-LCJITAHGSA-N 1 0 378.516 4.240 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3F)c2)cnn1-c1cccc(F)c1 ZINC000011767261 570582116 /nfs/dbraw/zinc/58/21/16/570582116.db2.gz RUWJEDRJXQCLRA-OAHLLOKOSA-N 1 0 393.441 4.495 50 0 GIAARO Cc1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)c1C ZINC000011818267 570584761 /nfs/dbraw/zinc/58/47/61/570584761.db2.gz XGQDTKCBFIGTLE-FQEVSTJZSA-N 1 0 382.523 4.469 50 0 GIAARO COc1cc(C[NH2+][C@@H](C)c2cccc(Br)c2)cc(OC)c1OC ZINC000028925676 570585021 /nfs/dbraw/zinc/58/50/21/570585021.db2.gz IIOCEPNVTQOIGG-LBPRGKRZSA-N 1 0 380.282 4.326 50 0 GIAARO Cc1cc(C)c2c(n1)sc(C(=O)NCC[NH+]1CCCCCC1)c2-n1cccc1 ZINC000006780522 570586983 /nfs/dbraw/zinc/58/69/83/570586983.db2.gz MYTXLKVCVXCEIB-UHFFFAOYSA-N 1 0 396.560 4.310 50 0 GIAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](C[C@H]4CCOC4)CC3)cc2)c1 ZINC000011843595 570587666 /nfs/dbraw/zinc/58/76/66/570587666.db2.gz GFDYKQKLKJMDPA-LJQANCHMSA-N 1 0 378.516 4.349 50 0 GIAARO CC(=O)c1cccc(C[NH2+][C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1 ZINC000011874394 570590020 /nfs/dbraw/zinc/59/00/20/570590020.db2.gz MKKBXBKMLSIYCT-SFHVURJKSA-N 1 0 377.410 4.062 50 0 GIAARO C[C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)Cn1ccnc1 ZINC000062254517 570596464 /nfs/dbraw/zinc/59/64/64/570596464.db2.gz MYDSWQFQYAIODX-INIZCTEOSA-N 1 0 382.895 4.215 50 0 GIAARO COc1ccc(CCN2C(=O)CC[C@@H]3C[N@@H+](Cc4ccc(C)cc4)CC[C@@H]32)cc1 ZINC000012051918 570600970 /nfs/dbraw/zinc/60/09/70/570600970.db2.gz VNSUBYWWBABCRF-VWNXMTODSA-N 1 0 392.543 4.059 50 0 GIAARO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)c(C)c1 ZINC000012058491 570603458 /nfs/dbraw/zinc/60/34/58/570603458.db2.gz OVWSBPHPKMRBFH-HXUWFJFHSA-N 1 0 382.523 4.469 50 0 GIAARO CSCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 ZINC000012072523 570604164 /nfs/dbraw/zinc/60/41/64/570604164.db2.gz YXVZVXKPIXIWFB-FQEVSTJZSA-N 1 0 386.565 4.035 50 0 GIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1C ZINC000012074690 570605123 /nfs/dbraw/zinc/60/51/23/570605123.db2.gz GMARWEYPXYMVMS-HXUWFJFHSA-N 1 0 383.536 4.402 50 0 GIAARO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OC(C)C ZINC000040729116 570608020 /nfs/dbraw/zinc/60/80/20/570608020.db2.gz LGTRQQDMXAKMEF-UHFFFAOYSA-N 1 0 379.298 4.320 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cnn1-c1ccc(F)cc1F ZINC000012094001 570608198 /nfs/dbraw/zinc/60/81/98/570608198.db2.gz ONZHWJJNFCAWOK-OAHLLOKOSA-N 1 0 393.441 4.495 50 0 GIAARO COCCC[NH2+]Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000040730604 570608494 /nfs/dbraw/zinc/60/84/94/570608494.db2.gz RDMXDNJSPLZVCY-UHFFFAOYSA-N 1 0 395.135 4.125 50 0 GIAARO O=C1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2N1CCc1ccccc1F ZINC000012099504 570608609 /nfs/dbraw/zinc/60/86/09/570608609.db2.gz LDKYFONOROPWQD-CSPIVVFSSA-N 1 0 392.518 4.395 50 0 GIAARO COc1ccc(/C=C/C[N@H+]2CCC(=O)N(Cc3ccccc3Cl)CC2)cc1 ZINC000012099275 570608911 /nfs/dbraw/zinc/60/89/11/570608911.db2.gz JBZVVKUFPBPYOM-SNAWJCMRSA-N 1 0 384.907 4.096 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCc1c(F)cccc1Cl ZINC000040737343 570610268 /nfs/dbraw/zinc/61/02/68/570610268.db2.gz XKVBQIYCKIDKJO-HNNXBMFYSA-N 1 0 381.875 4.317 50 0 GIAARO Cc1ccccc1COc1ccc(Br)cc1C[NH2+]C(C)(C)CO ZINC000040739337 570611148 /nfs/dbraw/zinc/61/11/48/570611148.db2.gz FKEIDYIQXLDERS-UHFFFAOYSA-N 1 0 378.310 4.197 50 0 GIAARO Cc1cccc(COc2ccc(Br)cc2C[NH2+]C(C)(C)CO)c1 ZINC000040739204 570611225 /nfs/dbraw/zinc/61/12/25/570611225.db2.gz NQOUEBKPQKIMIX-UHFFFAOYSA-N 1 0 378.310 4.197 50 0 GIAARO CCC[NH+](CCC)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000006809539 570611879 /nfs/dbraw/zinc/61/18/79/570611879.db2.gz XYRAZWLSMVQABA-FQEVSTJZSA-N 1 0 394.968 4.482 50 0 GIAARO OCCC[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000040743799 570613222 /nfs/dbraw/zinc/61/32/22/570613222.db2.gz ZLSCAHUXGXJPCD-UHFFFAOYSA-N 1 0 384.701 4.154 50 0 GIAARO C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000040744043 570613673 /nfs/dbraw/zinc/61/36/73/570613673.db2.gz KSSDJLWWOIXIPE-LBPRGKRZSA-N 1 0 384.701 4.152 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1c(Cl)cccc1Cl ZINC000040744003 570613744 /nfs/dbraw/zinc/61/37/44/570613744.db2.gz GOZIXWFJTGFMAR-CYBMUJFWSA-N 1 0 384.303 4.442 50 0 GIAARO COc1cc(O)ccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012151452 570618237 /nfs/dbraw/zinc/61/82/37/570618237.db2.gz IQFXGYQHQOHLJO-HNNXBMFYSA-N 1 0 399.441 4.449 50 0 GIAARO Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036343587 570625846 /nfs/dbraw/zinc/62/58/46/570625846.db2.gz LURISXVVVKFFSK-HSZRJFAPSA-N 1 0 375.516 4.385 50 0 GIAARO O[C@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000012208397 570626699 /nfs/dbraw/zinc/62/66/99/570626699.db2.gz KJTRCZZNESMEDV-SFHVURJKSA-N 1 0 385.870 4.289 50 0 GIAARO CSCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000012301628 570636455 /nfs/dbraw/zinc/63/64/55/570636455.db2.gz JOYSZXYNHKWPRT-FQEVSTJZSA-N 1 0 385.533 4.420 50 0 GIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000012304557 570638284 /nfs/dbraw/zinc/63/82/84/570638284.db2.gz UGFIGNVFUMRCJG-UHFFFAOYSA-N 1 0 378.501 4.056 50 0 GIAARO O=C(COc1ccc(Cl)cc1Cl)OCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000045221534 570646735 /nfs/dbraw/zinc/64/67/35/570646735.db2.gz UBZWHHLIJZTBIQ-INIZCTEOSA-N 1 0 394.298 4.405 50 0 GIAARO O=C(Nc1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756006 570648621 /nfs/dbraw/zinc/64/86/21/570648621.db2.gz CFLTXGOHRFRIGC-UHFFFAOYSA-N 1 0 379.291 4.175 50 0 GIAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4ccc(CO)o4)C3)ccc2c1 ZINC000012385835 570650789 /nfs/dbraw/zinc/65/07/89/570650789.db2.gz QMKWLEBITKHVCZ-LJQANCHMSA-N 1 0 379.456 4.029 50 0 GIAARO C/C=C(\C)C[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012386329 570651527 /nfs/dbraw/zinc/65/15/27/570651527.db2.gz OPWILIGIGSUNQU-QBROUFQSSA-N 1 0 380.536 4.448 50 0 GIAARO COc1ccccc1C[C@H](C)[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012387039 570651967 /nfs/dbraw/zinc/65/19/67/570651967.db2.gz KEOQTBXFIRQDGF-FQEVSTJZSA-N 1 0 383.532 4.170 50 0 GIAARO C[NH+](C)C1(CNC(=O)c2ccccc2OCc2ccc(F)cc2)CCCCC1 ZINC000006862410 570653659 /nfs/dbraw/zinc/65/36/59/570653659.db2.gz HXMLWPOSAHPPNF-UHFFFAOYSA-N 1 0 384.495 4.399 50 0 GIAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+]([C@@H](C)Cc2cccnc2)CC1 ZINC000012432047 570660314 /nfs/dbraw/zinc/66/03/14/570660314.db2.gz GENRSMSSNSIBHS-SFHVURJKSA-N 1 0 384.495 4.040 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccncc2)CC1 ZINC000012442309 570664874 /nfs/dbraw/zinc/66/48/74/570664874.db2.gz UATMCLUSIJDBAH-UHFFFAOYSA-N 1 0 395.547 4.101 50 0 GIAARO Cn1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000065060061 570667991 /nfs/dbraw/zinc/66/79/91/570667991.db2.gz JFFXIBNWVLUVGI-UHFFFAOYSA-N 1 0 395.934 4.360 50 0 GIAARO O=C(Nc1ccccc1Br)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000006877162 570667999 /nfs/dbraw/zinc/66/79/99/570667999.db2.gz GVIQNDMKQJHKNS-UHFFFAOYSA-N 1 0 380.330 4.179 50 0 GIAARO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000012459736 570670766 /nfs/dbraw/zinc/67/07/66/570670766.db2.gz GFOQPIMADNTODH-FQEVSTJZSA-N 1 0 384.520 4.272 50 0 GIAARO O=C(C[NH2+]Cc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000054254353 570676819 /nfs/dbraw/zinc/67/68/19/570676819.db2.gz WEAVSQOYYRVHFB-UHFFFAOYSA-N 1 0 378.859 4.299 50 0 GIAARO Cc1c(C[NH2+][C@@H](CC(C)(C)C)c2cccnc2)c2ccccc2n1CC(N)=O ZINC000055060508 570680966 /nfs/dbraw/zinc/68/09/66/570680966.db2.gz ZOLHCKDNXYJQQO-FQEVSTJZSA-N 1 0 378.520 4.097 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)c(C)c1 ZINC000012570238 570681011 /nfs/dbraw/zinc/68/10/11/570681011.db2.gz IWPBKOQUHIGYCP-LJQANCHMSA-N 1 0 380.488 4.057 50 0 GIAARO Cc1cc(C[NH+]2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)cc(C)c1O ZINC000012572173 570681404 /nfs/dbraw/zinc/68/14/04/570681404.db2.gz NMFJYHDBMOUITO-UHFFFAOYSA-N 1 0 392.499 4.234 50 0 GIAARO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2cn(CC)nc2C)C1 ZINC000012578322 570682744 /nfs/dbraw/zinc/68/27/44/570682744.db2.gz WULOXRYILHFIEY-GPOLZQFCSA-N 1 0 395.547 4.460 50 0 GIAARO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)ccc1O ZINC000012580786 570683881 /nfs/dbraw/zinc/68/38/81/570683881.db2.gz QBZVSKIEKHRAGW-QGZVFWFLSA-N 1 0 387.451 4.034 50 0 GIAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000055167531 570685788 /nfs/dbraw/zinc/68/57/88/570685788.db2.gz JMVGPHMZIBWYGG-LJQANCHMSA-N 1 0 397.950 4.294 50 0 GIAARO C[C@@H](C[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1)c1ccccc1 ZINC000012597320 570690206 /nfs/dbraw/zinc/69/02/06/570690206.db2.gz MBELHNVTEVEZOM-SFHVURJKSA-N 1 0 380.536 4.452 50 0 GIAARO COc1ccc2[nH]c(C[NH+]3CCC(CO)(C[C@@H]4CCCCO4)CC3)c(C)c2c1 ZINC000012613341 570691088 /nfs/dbraw/zinc/69/10/88/570691088.db2.gz LLCMYNCUIJTNRM-IBGZPJMESA-N 1 0 386.536 4.019 50 0 GIAARO COc1cccc2[nH]cc(CC[NH2+]C3CCN(CCc4ccccc4)CC3)c21 ZINC000157098680 570700557 /nfs/dbraw/zinc/70/05/57/570700557.db2.gz WDHLDWMPNARNTA-UHFFFAOYSA-N 1 0 377.532 4.016 50 0 GIAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3c(F)cccc3F)nc2c1C ZINC000004359383 570701690 /nfs/dbraw/zinc/70/16/90/570701690.db2.gz LHMZDGPKLWPFPS-UHFFFAOYSA-N 1 0 389.471 4.400 50 0 GIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](C[C@@H]4CC=CCC4)CC3)on2)c1 ZINC000012711744 570702830 /nfs/dbraw/zinc/70/28/30/570702830.db2.gz IJNIAUNXGXVNHU-GOSISDBHSA-N 1 0 382.504 4.076 50 0 GIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cc1CO ZINC000012744854 570708027 /nfs/dbraw/zinc/70/80/27/570708027.db2.gz JSMRXBUJVYNQKN-GOSISDBHSA-N 1 0 387.907 4.326 50 0 GIAARO CN(C(=O)c1csc(-c2ccsc2)n1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000058139361 570710294 /nfs/dbraw/zinc/71/02/94/570710294.db2.gz VUTQPTYGFUKPFC-UHFFFAOYSA-N 1 0 398.557 4.003 50 0 GIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 ZINC000058156849 570711416 /nfs/dbraw/zinc/71/14/16/570711416.db2.gz RJIAWBFANISNRC-UHFFFAOYSA-N 1 0 388.515 4.016 50 0 GIAARO CC(C)COc1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000058168672 570714816 /nfs/dbraw/zinc/71/48/16/570714816.db2.gz DPJYAGVTKWHTRS-IBGZPJMESA-N 1 0 375.557 4.033 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2OC(F)F)[NH+]2CCCC2)o1 ZINC000058310283 570726556 /nfs/dbraw/zinc/72/65/56/570726556.db2.gz LSWYDHJMYTYHBB-QXLXQBSBSA-N 1 0 390.430 4.156 50 0 GIAARO C[NH+](C)C1CCN(C(=O)COc2ccc(Cl)cc2C2CCCCC2)CC1 ZINC000058863483 570735801 /nfs/dbraw/zinc/73/58/01/570735801.db2.gz IUCQAPNZUPLEIE-UHFFFAOYSA-N 1 0 378.944 4.319 50 0 GIAARO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000059376185 570738338 /nfs/dbraw/zinc/73/83/38/570738338.db2.gz GSUYREPKHWSBSP-HRAATJIYSA-N 1 0 375.896 4.316 50 0 GIAARO O[C@H](COc1ccc(F)cc1)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000059387298 570738404 /nfs/dbraw/zinc/73/84/04/570738404.db2.gz KYHFRBXYYCJPJM-KRWDZBQOSA-N 1 0 383.385 4.249 50 0 GIAARO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036576109 570741625 /nfs/dbraw/zinc/74/16/25/570741625.db2.gz MSFYWHVMDIVJMY-SJLPKXTDSA-N 1 0 387.524 4.252 50 0 GIAARO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000007050192 570764776 /nfs/dbraw/zinc/76/47/76/570764776.db2.gz ISEHVGNEEIPEPO-GFCCVEGCSA-N 1 0 396.299 4.219 50 0 GIAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3c(C)noc3C)cc2)on1 ZINC000065398689 570765839 /nfs/dbraw/zinc/76/58/39/570765839.db2.gz QBCKCGOUDBTSCD-GOSISDBHSA-N 1 0 380.448 4.177 50 0 GIAARO COc1cc(-c2c(-c3ccccc3)ncn2CC[C@@H]2CCC[N@@H+]2C)ccc1O ZINC000065536492 570772913 /nfs/dbraw/zinc/77/29/13/570772913.db2.gz YGPHAIXUDLLWHC-IBGZPJMESA-N 1 0 377.488 4.416 50 0 GIAARO CC(C)[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1cc(F)ccc1F)N2 ZINC000065298631 570787504 /nfs/dbraw/zinc/78/75/04/570787504.db2.gz NIFQMJDGXGWVPC-NRFANRHFSA-N 1 0 399.485 4.395 50 0 GIAARO COc1ccc2cc(C[NH2+]C[C@H](c3cccs3)N3CCOCC3)ccc2c1 ZINC000032735844 570788660 /nfs/dbraw/zinc/78/86/60/570788660.db2.gz XUEKZZZMOBTLSF-OAQYLSRUSA-N 1 0 382.529 4.073 50 0 GIAARO Brc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1 ZINC000010474479 570791044 /nfs/dbraw/zinc/79/10/44/570791044.db2.gz MUXMEDOBLKEMOI-QGZVFWFLSA-N 1 0 376.294 4.297 50 0 GIAARO O[C@H](CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000004257980 570793591 /nfs/dbraw/zinc/79/35/91/570793591.db2.gz WNZBBTJFOIOEMP-HXUWFJFHSA-N 1 0 377.887 4.276 50 0 world GIAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3cc(C)ccc3C)c(C)c2)CC1 ZINC000032772062 570805509 /nfs/dbraw/zinc/80/55/09/570805509.db2.gz XZANAPCPGVCVLG-HXUWFJFHSA-N 1 0 394.563 4.193 50 0 GIAARO COc1ccc([C@H](CNC(=O)C2(c3ccc(F)cc3)CCCC2)[NH+](C)C)cc1 ZINC000036750508 570807809 /nfs/dbraw/zinc/80/78/09/570807809.db2.gz CYIMSVIQLINBGH-NRFANRHFSA-N 1 0 384.495 4.065 50 0 GIAARO CCn1cc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)c2ccccc21 ZINC000032784631 570809511 /nfs/dbraw/zinc/80/95/11/570809511.db2.gz LKYVBCAZOQCVID-UHFFFAOYSA-N 1 0 376.504 4.055 50 0 GIAARO CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000036763375 570810099 /nfs/dbraw/zinc/81/00/99/570810099.db2.gz YFLHBZRJFZODPX-HSZRJFAPSA-N 1 0 391.515 4.431 50 0 GIAARO O=C(N1CCc2ccccc2C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000065514091 570828830 /nfs/dbraw/zinc/82/88/30/570828830.db2.gz KYDUGHAEDRPGEW-OAQYLSRUSA-N 1 0 388.433 4.026 50 0 GIAARO CC[C@H]([NH2+]Cc1cc(=O)n2cc(C)ccc2n1)c1ccc(Br)cc1 ZINC000007375308 570831453 /nfs/dbraw/zinc/83/14/53/570831453.db2.gz ZMSISWPLWQLXAV-KRWDZBQOSA-N 1 0 386.293 4.006 50 0 GIAARO CC(C)CC(=O)N1CCC(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000170597305 570855082 /nfs/dbraw/zinc/85/50/82/570855082.db2.gz OVPCHUQXGARGKN-JOCHJYFZSA-N 1 0 398.547 4.100 50 0 GIAARO Cc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000024445223 570855489 /nfs/dbraw/zinc/85/54/89/570855489.db2.gz INHMSAIKFHWVHS-UHFFFAOYSA-N 1 0 394.540 4.202 50 0 GIAARO COc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccccc23)[NH+]2CCCCC2)cc1 ZINC000003430226 570867516 /nfs/dbraw/zinc/86/75/16/570867516.db2.gz KKKOWDJTGRAHKC-HSZRJFAPSA-N 1 0 391.515 4.062 50 0 GIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(Cl)c2)N3)C1 ZINC000004556164 570882383 /nfs/dbraw/zinc/88/23/83/570882383.db2.gz LRQNPTKPDZHQFO-MRXNPFEDSA-N 1 0 377.897 4.217 50 0 GIAARO C[N@@H+]1CCN(c2nc(-c3cccnc3)nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000012598783 570885486 /nfs/dbraw/zinc/88/54/86/570885486.db2.gz TUKIZYSTUZROJS-JOCHJYFZSA-N 1 0 381.483 4.185 50 0 GIAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000004550972 570896852 /nfs/dbraw/zinc/89/68/52/570896852.db2.gz CMSBKXMDDVDAFE-OAQYLSRUSA-N 1 0 378.516 4.410 50 0 GIAARO CC1CC[NH+]([C@H](CNc2ccc(C(=O)N3CCCC3)cn2)c2cccs2)CC1 ZINC000032908980 570909814 /nfs/dbraw/zinc/90/98/14/570909814.db2.gz PBSXKEWSTDMLTC-LJQANCHMSA-N 1 0 398.576 4.264 50 0 GIAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000032909076 570910350 /nfs/dbraw/zinc/91/03/50/570910350.db2.gz WRTUEGUHJIBRCH-CTNGQTDRSA-N 1 0 399.629 4.275 50 0 GIAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000032912229 570917780 /nfs/dbraw/zinc/91/77/80/570917780.db2.gz XCBXCHNBNRMWLI-UHFFFAOYSA-N 1 0 393.531 4.019 50 0 GIAARO Cc1cc(C)c(OCCOCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Br)c1 ZINC000002822866 570933143 /nfs/dbraw/zinc/93/31/43/570933143.db2.gz SIRQYOHQTBOJBG-HZPDHXFCSA-N 1 0 384.358 4.439 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1 ZINC000032930260 570942656 /nfs/dbraw/zinc/94/26/56/570942656.db2.gz GQRITRLGKPSRHE-GOSISDBHSA-N 1 0 390.531 4.186 50 0 GIAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1 ZINC000032930261 570942886 /nfs/dbraw/zinc/94/28/86/570942886.db2.gz GQRITRLGKPSRHE-SFHVURJKSA-N 1 0 390.531 4.186 50 0 GIAARO O=C(CCc1cccc(F)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000107365153 570973472 /nfs/dbraw/zinc/97/34/72/570973472.db2.gz ZYUSPPWJCOHYAU-JTHBVZDNSA-N 1 0 380.507 4.271 50 0 GIAARO CC[NH+](CC)Cc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC000252508492 570978944 /nfs/dbraw/zinc/97/89/44/570978944.db2.gz XOEQNVRBDFOZMG-JOCHJYFZSA-N 1 0 381.520 4.043 50 0 GIAARO Clc1ccccc1COc1cccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000252510746 570979916 /nfs/dbraw/zinc/97/99/16/570979916.db2.gz ZPSXPCSABJHOQP-GOSISDBHSA-N 1 0 386.923 4.078 50 0 GIAARO CCOc1ccc(CC(=O)N(C)[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000252517756 570983956 /nfs/dbraw/zinc/98/39/56/570983956.db2.gz QNGLCXDMTWIEGO-FZWXVRBQSA-N 1 0 394.559 4.243 50 0 GIAARO CC(C)(C)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000170648571 570984870 /nfs/dbraw/zinc/98/48/70/570984870.db2.gz XRODQOUMTUBQTP-UHFFFAOYSA-N 1 0 398.522 4.283 50 0 GIAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000004194907 570993762 /nfs/dbraw/zinc/99/37/62/570993762.db2.gz VJJZUCIEDXKGJA-OAQYLSRUSA-N 1 0 383.532 4.107 50 0 GIAARO C[NH+]1CCN(c2ccccc2NC(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000007719021 571019906 /nfs/dbraw/zinc/01/99/06/571019906.db2.gz QYERKZKBZLVMFM-UHFFFAOYSA-N 1 0 383.923 4.152 50 0 GIAARO CCOCc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000438866262 571023221 /nfs/dbraw/zinc/02/32/21/571023221.db2.gz TVNQDOHERIJLSQ-OAQYLSRUSA-N 1 0 381.520 4.209 50 0 GIAARO COC(=O)c1c2c(sc1NC(=O)c1cccs1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000004275271 571040967 /nfs/dbraw/zinc/04/09/67/571040967.db2.gz JHZGYCATFGSPPD-UHFFFAOYSA-N 1 0 378.519 4.008 50 0 GIAARO C[C@@H]1C[N@@H+](CCCCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000016247734 571045961 /nfs/dbraw/zinc/04/59/61/571045961.db2.gz VYMAWOXCMDTVHP-BETUJISGSA-N 1 0 376.722 4.371 50 0 GIAARO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000188047120 823177013 /nfs/dbraw/zinc/17/70/13/823177013.db2.gz SYMCUEQHEACBSB-IBGZPJMESA-N 1 0 388.870 4.197 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccccc3Cl)C[C@@H]21 ZINC000001300850 817376144 /nfs/dbraw/zinc/37/61/44/817376144.db2.gz GJSIOAPYXAYQNJ-IBGZPJMESA-N 1 0 397.906 4.314 50 0 GIAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000002942634 817407416 /nfs/dbraw/zinc/40/74/16/817407416.db2.gz ZZAZHFYLWKJNNT-GFCCVEGCSA-N 1 0 394.300 4.271 50 0 GIAARO COc1cccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2ccco2)c1 ZINC000003662356 817494005 /nfs/dbraw/zinc/49/40/05/817494005.db2.gz HAXOAHKVJHRXEN-UHFFFAOYSA-N 1 0 387.549 4.363 50 0 GIAARO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000004073805 817500567 /nfs/dbraw/zinc/50/05/67/817500567.db2.gz JUVOJPIKDRDACF-AONIYGCRSA-N 1 0 397.559 4.355 50 0 GIAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(=O)n3c(C)csc3n2)cc1 ZINC000008157250 818009014 /nfs/dbraw/zinc/00/90/14/818009014.db2.gz WFMUNHWTCOWRRC-LJQANCHMSA-N 1 0 383.517 4.190 50 0 GIAARO C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000008247470 818022928 /nfs/dbraw/zinc/02/29/28/818022928.db2.gz XPGOGJVZJDRDFC-SNVBAGLBSA-N 1 0 394.270 4.396 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c(OC)c1 ZINC000011661357 818106471 /nfs/dbraw/zinc/10/64/71/818106471.db2.gz XYIRYCKJPBMOFI-LJQANCHMSA-N 1 0 390.483 4.347 50 0 GIAARO COCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)s1 ZINC000011700473 818110192 /nfs/dbraw/zinc/11/01/92/818110192.db2.gz YSTGCMKGEHYLSZ-HSZRJFAPSA-N 1 0 398.572 4.065 50 0 GIAARO C[C@H](CC(F)(F)F)[NH+]1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000011817202 818124233 /nfs/dbraw/zinc/12/42/33/818124233.db2.gz AWCOMFTYSFQPTR-OAHLLOKOSA-N 1 0 394.441 4.042 50 0 GIAARO O=C1CC[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2N1CCc1ccccc1F ZINC000011997342 818135383 /nfs/dbraw/zinc/13/53/83/818135383.db2.gz ZJQRDXDGXIALCA-VWNXMTODSA-N 1 0 394.534 4.314 50 0 GIAARO COc1cc2nc(N(C)C)c(C[NH2+]C3CCCCCC3)cc2c(OC)c1OC ZINC000012034412 818136863 /nfs/dbraw/zinc/13/68/63/818136863.db2.gz QJJRIQQNJASFPW-UHFFFAOYSA-N 1 0 387.524 4.139 50 0 GIAARO O=C(CCC1CC[NH+](C2CCOCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012091742 818141109 /nfs/dbraw/zinc/14/11/09/818141109.db2.gz AVZIGDFIDGHCAP-UHFFFAOYSA-N 1 0 398.591 4.139 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000012112030 818142986 /nfs/dbraw/zinc/14/29/86/818142986.db2.gz FBHJIPAFWPMOPM-UHFFFAOYSA-N 1 0 395.894 4.021 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3C(F)(F)F)C2)c1 ZINC000012112293 818143022 /nfs/dbraw/zinc/14/30/22/818143022.db2.gz ROAVXWPUVWZHHA-MRXNPFEDSA-N 1 0 392.421 4.108 50 0 GIAARO COc1cccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000012300194 818153141 /nfs/dbraw/zinc/15/31/41/818153141.db2.gz LMHIFMJFHMHCCR-HARLFGEKSA-N 1 0 396.918 4.287 50 0 GIAARO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3c[nH]nc3-c3ccccc3)[N@@H+]3CCC[C@@]123 ZINC000012302251 818153876 /nfs/dbraw/zinc/15/38/76/818153876.db2.gz SMGBQQCOGWOQEP-XZOYJPPVSA-N 1 0 384.483 4.019 50 0 GIAARO COc1cccc2c1OCC(C[NH2+][C@H](C)c1cnn(-c3ccccc3)c1C)=C2 ZINC000012315018 818154550 /nfs/dbraw/zinc/15/45/50/818154550.db2.gz JMBAPBBRXJVDDS-MRXNPFEDSA-N 1 0 375.472 4.316 50 0 GIAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](C2CCSCC2)CC1 ZINC000012448254 818160119 /nfs/dbraw/zinc/16/01/19/818160119.db2.gz SBCQGWNWHLTBGB-UHFFFAOYSA-N 1 0 397.544 4.420 50 0 GIAARO COC[C@H]1CC[N@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012613225 818171154 /nfs/dbraw/zinc/17/11/54/818171154.db2.gz ANGJLQVIKRTPTE-SFHVURJKSA-N 1 0 379.479 4.455 50 0 GIAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000013011131 818200552 /nfs/dbraw/zinc/20/05/52/818200552.db2.gz GBOSQSIKDGRGGO-INIZCTEOSA-N 1 0 389.908 4.398 50 0 GIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](C/C=C/c3ccccc3OC)C2)c1 ZINC000013594387 818214007 /nfs/dbraw/zinc/21/40/07/818214007.db2.gz LCASWJPGEVBKPS-VXFXUCHBSA-N 1 0 381.516 4.034 50 0 GIAARO COC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000014980638 818280121 /nfs/dbraw/zinc/28/01/21/818280121.db2.gz LBOSHYSJNCFQDE-GOSISDBHSA-N 1 0 377.488 4.348 50 0 GIAARO CN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C[C@H]1CCC[N@@H+]1C ZINC000019300695 818590296 /nfs/dbraw/zinc/59/02/96/818590296.db2.gz PBUPOYZDDFRSLQ-OAQYLSRUSA-N 1 0 390.531 4.405 50 0 GIAARO O=C(CCC1CC[NH+](Cc2cccc(F)c2)CC1)N1CCc2ccccc2C1 ZINC000019957578 818608273 /nfs/dbraw/zinc/60/82/73/818608273.db2.gz BMJZNZAAISFKPG-UHFFFAOYSA-N 1 0 380.507 4.403 50 0 GIAARO CC(C)N(CC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21)C(C)C ZINC000020112124 818614148 /nfs/dbraw/zinc/61/41/48/818614148.db2.gz NBJXGSCHUJBUEZ-ZPAXSXBNSA-N 1 0 376.585 4.009 50 0 GIAARO C[C@H](Oc1ccccc1)c1cc(=O)[nH]c(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000020386122 818619871 /nfs/dbraw/zinc/61/98/71/818619871.db2.gz FKKCRZZEBHWKII-KRWDZBQOSA-N 1 0 375.472 4.173 50 0 GIAARO COc1ccccc1CN(Cc1cccc(F)c1)C(=O)CCC[NH+]1CCCC1 ZINC000020599300 818626731 /nfs/dbraw/zinc/62/67/31/818626731.db2.gz QXXLHCLHSIHPLB-UHFFFAOYSA-N 1 0 384.495 4.239 50 0 GIAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2c1 ZINC000021934782 818757462 /nfs/dbraw/zinc/75/74/62/818757462.db2.gz YCAWPGURXZVGPJ-SFHVURJKSA-N 1 0 388.515 4.209 50 0 GIAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000022913019 818875649 /nfs/dbraw/zinc/87/56/49/818875649.db2.gz FOOFNFMNWSUOMZ-LJQANCHMSA-N 1 0 375.463 4.170 50 0 GIAARO CC(C)N(C)C(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000040086362 821133352 /nfs/dbraw/zinc/13/33/52/821133352.db2.gz LGSPTYYXJFWAKT-UHFFFAOYSA-N 1 0 393.300 4.358 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2F)o1)c1cccs1 ZINC000040108622 821139504 /nfs/dbraw/zinc/13/95/04/821139504.db2.gz MZVUQJYMDNLGJH-MRXNPFEDSA-N 1 0 388.464 4.092 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1scnc1C1CCCC1 ZINC000184381723 822625324 /nfs/dbraw/zinc/62/53/24/822625324.db2.gz IDPGOXBNKSCTLS-UHFFFAOYSA-N 1 0 387.524 4.334 50 0 GIAARO C[N@H+](Cc1ccsc1)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000048284535 822651838 /nfs/dbraw/zinc/65/18/38/822651838.db2.gz YILYCRIZEKIVEH-UHFFFAOYSA-N 1 0 388.496 4.192 50 0 GIAARO CCC[NH+](CCC)CCCNC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 ZINC000048546145 822671117 /nfs/dbraw/zinc/67/11/17/822671117.db2.gz GNHMMZDTDFAWHL-UHFFFAOYSA-N 1 0 398.334 4.489 50 0 GIAARO CC(C)(C)[NH+]1CCC(NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174407009 822786163 /nfs/dbraw/zinc/78/61/63/822786163.db2.gz TXAGXIUELIUCQG-IBGZPJMESA-N 1 0 380.960 4.250 50 0 GIAARO Cc1nnc(-c2ccccc2C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)o1 ZINC000125249609 823662278 /nfs/dbraw/zinc/66/22/78/823662278.db2.gz PFUKKDBTVMSBDQ-INIZCTEOSA-N 1 0 390.487 4.000 50 0 GIAARO C[N@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191747169 823755691 /nfs/dbraw/zinc/75/56/91/823755691.db2.gz NURABCPFBFVWHH-HXUWFJFHSA-N 1 0 379.891 4.121 50 0 GIAARO O=C(C1CCCCC1)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000169759160 823912447 /nfs/dbraw/zinc/91/24/47/823912447.db2.gz VHVKNJZRIPVNBT-UHFFFAOYSA-N 1 0 384.564 4.239 50 0 GIAARO O=C(c1ccco1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776651 823915484 /nfs/dbraw/zinc/91/54/84/823915484.db2.gz VJNRMRFGYSSDMG-OAQYLSRUSA-N 1 0 394.515 4.098 50 0 GIAARO Cc1cccc(C[NH+]2CCC(Cc3ccc(CN4CCOCC4)cc3)CC2)c1 ZINC000575553391 823976951 /nfs/dbraw/zinc/97/69/51/823976951.db2.gz YBTPXPGLUXLYSF-UHFFFAOYSA-N 1 0 378.560 4.282 50 0 GIAARO Cc1cnccc1-c1ccc(C(=O)NC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000426573013 231243058 /nfs/dbraw/zinc/24/30/58/231243058.db2.gz GGNBJVVYAXVOES-UHFFFAOYSA-N 1 0 375.472 4.044 50 0 GIAARO CO[C@]12CC[N@H+](Cc3ccc4ccn(C)c4c3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426701443 231253835 /nfs/dbraw/zinc/25/38/35/231253835.db2.gz OWQMEVXZFJBLLH-ODGPQVTHSA-N 1 0 391.515 4.164 50 0 GIAARO Cc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)cc1F ZINC000015727013 210163653 /nfs/dbraw/zinc/16/36/53/210163653.db2.gz ZZKYHXHVZLEPIR-UHFFFAOYSA-N 1 0 396.441 4.178 50 0 GIAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccccc2F)CC1 ZINC000015679735 210162208 /nfs/dbraw/zinc/16/22/08/210162208.db2.gz OVCSTUSBMPVREB-UHFFFAOYSA-N 1 0 399.466 4.073 50 0 GIAARO C[N@H+](CCCNC(=O)c1noc2c1CSc1ccccc1-2)Cc1ccccc1 ZINC000015673916 210161861 /nfs/dbraw/zinc/16/18/61/210161861.db2.gz WVFNREQIYPCSPA-UHFFFAOYSA-N 1 0 393.512 4.199 50 0 GIAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000015080669 210153217 /nfs/dbraw/zinc/15/32/17/210153217.db2.gz YSBFQNNGFKVDSV-NRFANRHFSA-N 1 0 389.495 4.306 50 0 GIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)c(C)c1 ZINC000015078685 210153248 /nfs/dbraw/zinc/15/32/48/210153248.db2.gz RQCALOABTPWURX-IBGZPJMESA-N 1 0 381.520 4.338 50 0 GIAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(C)s4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000015073577 210150889 /nfs/dbraw/zinc/15/08/89/210150889.db2.gz UCBHGVRMVFVOQY-JLMWRMLUSA-N 1 0 382.529 4.003 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)c(-c2cccc(Cl)c2)n1 ZINC000015068475 210148675 /nfs/dbraw/zinc/14/86/75/210148675.db2.gz XLGOWSSFDCHHSE-NRFANRHFSA-N 1 0 396.922 4.317 50 0 GIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1C ZINC000015005274 210143052 /nfs/dbraw/zinc/14/30/52/210143052.db2.gz JVZLQFYVGDWTFX-GOSISDBHSA-N 1 0 381.499 4.429 50 0 GIAARO Cc1ccc(C)c(-n2cc(C[NH+]3CCC(CO)CC3)c(-c3ccccc3)n2)c1 ZINC000014975098 210138679 /nfs/dbraw/zinc/13/86/79/210138679.db2.gz LJDKOCFRTHOBLJ-UHFFFAOYSA-N 1 0 375.516 4.360 50 0 GIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000014973369 210136749 /nfs/dbraw/zinc/13/67/49/210136749.db2.gz JABSCELYNYQHTQ-NRFANRHFSA-N 1 0 391.515 4.285 50 0 GIAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000014961601 210133666 /nfs/dbraw/zinc/13/36/66/210133666.db2.gz MBXWHVBZEXRQPK-BSDIHXDHSA-N 1 0 386.499 4.236 50 0 GIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)cc1 ZINC000014950017 210131257 /nfs/dbraw/zinc/13/12/57/210131257.db2.gz YIRQQYUUJGADEN-GOSISDBHSA-N 1 0 392.528 4.084 50 0 GIAARO COc1ccccc1C[N@@H+]1CCCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 ZINC000014879546 210128625 /nfs/dbraw/zinc/12/86/25/210128625.db2.gz NZFKATGLDNTUOM-UHFFFAOYSA-N 1 0 390.531 4.276 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)c(C)c1 ZINC000014530350 210119626 /nfs/dbraw/zinc/11/96/26/210119626.db2.gz BNGBJHHFIMURIJ-UHFFFAOYSA-N 1 0 399.579 4.357 50 0 GIAARO Cc1nn2c(nc(N3CC[NH+](Cc4ccsc4)CC3)c3ccccc32)c1Cl ZINC000014248283 210114707 /nfs/dbraw/zinc/11/47/07/210114707.db2.gz OHRHEDVDEBEMFT-UHFFFAOYSA-N 1 0 397.935 4.228 50 0 GIAARO OCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000013726943 210083985 /nfs/dbraw/zinc/08/39/85/210083985.db2.gz HENNHQHWNPEFPS-UHFFFAOYSA-N 1 0 378.310 4.280 50 0 GIAARO COc1ccc(OCCCC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000013689868 210080929 /nfs/dbraw/zinc/08/09/29/210080929.db2.gz QTIHWENRKWQJFW-UHFFFAOYSA-N 1 0 397.544 4.286 50 0 GIAARO Cc1cccc(N2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c1C ZINC000013680794 210078191 /nfs/dbraw/zinc/07/81/91/210078191.db2.gz AQVGCHKKUPTACC-UHFFFAOYSA-N 1 0 391.559 4.252 50 0 GIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000013363845 210059149 /nfs/dbraw/zinc/05/91/49/210059149.db2.gz UUGCHIMKGILRMB-UHFFFAOYSA-N 1 0 387.911 4.382 50 0 GIAARO Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccccc3C[NH+](C)C)cc12 ZINC000012925643 210030683 /nfs/dbraw/zinc/03/06/83/210030683.db2.gz KOJWJUFQYZYGLC-UHFFFAOYSA-N 1 0 384.549 4.054 50 0 GIAARO O[C@H](COc1cccc2ccccc21)C[n+]1ccn(Cc2ccccc2Cl)c1 ZINC000012848725 210017037 /nfs/dbraw/zinc/01/70/37/210017037.db2.gz SUKQYNSHGLDJHZ-FQEVSTJZSA-N 1 0 393.894 4.070 50 0 GIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OCc2ccccc2)c1 ZINC000012798325 210010801 /nfs/dbraw/zinc/01/08/01/210010801.db2.gz PXVHOKCXVKBPLI-HSZRJFAPSA-N 1 0 386.495 4.270 50 0 GIAARO COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000012773787 210006275 /nfs/dbraw/zinc/00/62/75/210006275.db2.gz MMIHMZPFDGVMAP-QGZVFWFLSA-N 1 0 382.504 4.181 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000012755730 210003192 /nfs/dbraw/zinc/00/31/92/210003192.db2.gz GGSKRZABZBPEMX-CQSZACIVSA-N 1 0 386.858 4.263 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)cc1C ZINC000012041224 209901295 /nfs/dbraw/zinc/90/12/95/209901295.db2.gz AHYJEQHCWUPYIS-HSZRJFAPSA-N 1 0 392.543 4.247 50 0 GIAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1cccc(Cl)c1 ZINC000011963119 209893578 /nfs/dbraw/zinc/89/35/78/209893578.db2.gz PKZZQUXQBVJADD-LJQANCHMSA-N 1 0 390.886 4.029 50 0 GIAARO CC(=O)c1cc(CCC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)oc1C ZINC000036397836 209840872 /nfs/dbraw/zinc/84/08/72/209840872.db2.gz BXNRJBDEXZNHQB-KRWDZBQOSA-N 1 0 396.531 4.414 50 0 GIAARO COc1ccc2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)c(C)nc2c1 ZINC000008726678 209796687 /nfs/dbraw/zinc/79/66/87/209796687.db2.gz FSDYXQXORROWKD-UHFFFAOYSA-N 1 0 389.499 4.078 50 0 GIAARO COc1ccc([C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[NH+]2CCCC2)cc1 ZINC000006083806 209628439 /nfs/dbraw/zinc/62/84/39/209628439.db2.gz IFVYWZSWLZTYHG-HSZRJFAPSA-N 1 0 391.515 4.062 50 0 GIAARO CCC[NH+](CCC)CCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939376 209549385 /nfs/dbraw/zinc/54/93/85/209549385.db2.gz UPLMBGNLAGHEII-UHFFFAOYSA-N 1 0 386.517 4.168 50 0 GIAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@H](O)c1ccccc1 ZINC000004840573 209532380 /nfs/dbraw/zinc/53/23/80/209532380.db2.gz VYDJZAKUSPZNNR-QFIPXVFZSA-N 1 0 377.484 4.140 50 0 GIAARO COCCN(C(=S)Nc1ccc(C(C)C)cc1)C1CC[NH+](C(C)C)CC1 ZINC000002933436 209398531 /nfs/dbraw/zinc/39/85/31/209398531.db2.gz GWPJOGSJNUXMFF-UHFFFAOYSA-N 1 0 377.598 4.328 50 0 GIAARO CCCSc1nc2sc3c(c2c(NCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000002425550 209364350 /nfs/dbraw/zinc/36/43/50/209364350.db2.gz YDXYKYPIYPHCHG-UHFFFAOYSA-N 1 0 380.583 4.018 50 0 GIAARO CCc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2CCCCC3)cc1 ZINC000002684404 209377147 /nfs/dbraw/zinc/37/71/47/209377147.db2.gz AYRLCAWWUZNGLO-UHFFFAOYSA-N 1 0 375.492 4.492 50 0 GIAARO COc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1OC(F)F ZINC000002645720 209374511 /nfs/dbraw/zinc/37/45/11/209374511.db2.gz SWLBIFRGRMRLGG-UHFFFAOYSA-N 1 0 396.478 4.215 50 0 GIAARO Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000002631335 209372595 /nfs/dbraw/zinc/37/25/95/209372595.db2.gz GLWSPULZWIRYTR-SFHVURJKSA-N 1 0 382.529 4.224 50 0 GIAARO CC[NH+](CC)CC(=O)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2 ZINC000002278726 209354917 /nfs/dbraw/zinc/35/49/17/209354917.db2.gz NXFZZYBVTYXBEB-UHFFFAOYSA-N 1 0 388.515 4.078 50 0 GIAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)nc21 ZINC000001260931 209317855 /nfs/dbraw/zinc/31/78/55/209317855.db2.gz UVSGQLOFTIDYKD-UHFFFAOYSA-N 1 0 376.460 4.027 50 0 GIAARO O=C(C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCCC1 ZINC000001179491 209311020 /nfs/dbraw/zinc/31/10/20/209311020.db2.gz NQMHXQZBDWODOU-UHFFFAOYSA-N 1 0 378.516 4.100 50 0 GIAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000000952841 209283601 /nfs/dbraw/zinc/28/36/01/209283601.db2.gz KHCHSTPMAYIGFG-UHFFFAOYSA-N 1 0 391.471 4.300 50 0 GIAARO O=C(C[NH2+]C1CCCCC1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000000873334 209274471 /nfs/dbraw/zinc/27/44/71/209274471.db2.gz CMVXYUTUJOYOAR-UHFFFAOYSA-N 1 0 394.338 4.433 50 0 GIAARO CCN(CC)C(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000785869 209265131 /nfs/dbraw/zinc/26/51/31/209265131.db2.gz LHPHDTNBWBYQOP-UHFFFAOYSA-N 1 0 380.532 4.346 50 0 aggregator GIAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000000754621 209263735 /nfs/dbraw/zinc/26/37/35/209263735.db2.gz XRRKZFOXIIRDEC-UHFFFAOYSA-N 1 0 384.520 4.132 50 0 GIAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C\c1cccc(Cl)c1 ZINC000096035309 209239950 /nfs/dbraw/zinc/23/99/50/209239950.db2.gz JWMPIQYSQUGOSO-YFHOEESVSA-N 1 0 399.922 4.142 50 0 GIAARO CC(C)c1sc(-n2cccc2)nc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253410360 209219199 /nfs/dbraw/zinc/21/91/99/209219199.db2.gz NGAAIYYNVCWXMC-DLBZAZTESA-N 1 0 386.565 4.052 50 0 GIAARO Cc1cc(N2CCC(CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc[nH+]1 ZINC000253400059 209216991 /nfs/dbraw/zinc/21/69/91/209216991.db2.gz KLBRFXCVQRNLCK-UHFFFAOYSA-N 1 0 377.410 4.055 50 0 GIAARO Cc1nc(C(=O)N(Cc2cccc(OCC[C@@H]3CCC[N@H+]3C)c2)C2CC2)cs1 ZINC000299788700 212038571 /nfs/dbraw/zinc/03/85/71/212038571.db2.gz ZOBOGWOAHYTONH-SFHVURJKSA-N 1 0 399.560 4.119 50 0 GIAARO Cc1nc(N2CCC([NH2+]Cc3cccs3)CC2)nc2cc3c(cc12)CCC3 ZINC000299790829 212038166 /nfs/dbraw/zinc/03/81/66/212038166.db2.gz CADWJFJYQWRFCW-UHFFFAOYSA-N 1 0 378.545 4.247 50 0 GIAARO COCCC[NH2+]Cc1cc2cc(C)ccc2n(Cc2ccccc2Cl)c1=O ZINC000299792028 212039003 /nfs/dbraw/zinc/03/90/03/212039003.db2.gz DKEUEEPZONARIJ-UHFFFAOYSA-N 1 0 384.907 4.138 50 0 GIAARO FC(F)C(F)(F)COCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299773034 212035873 /nfs/dbraw/zinc/03/58/73/212035873.db2.gz CYQPJHMRBHGWMK-ZNMIVQPWSA-N 1 0 399.388 4.180 50 0 GIAARO Cc1cccc(-c2ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2)c1 ZINC000299766003 212033588 /nfs/dbraw/zinc/03/35/88/212033588.db2.gz AJLFSURIKTYZIX-QFIPXVFZSA-N 1 0 381.520 4.237 50 0 GIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000028925671 211905460 /nfs/dbraw/zinc/90/54/60/211905460.db2.gz COXRZRYSIMXYFX-GFCCVEGCSA-N 1 0 380.282 4.326 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccs1 ZINC000043362763 211443600 /nfs/dbraw/zinc/44/36/00/211443600.db2.gz MMBDRGWADNWPSI-LBPRGKRZSA-N 1 0 389.855 4.427 50 0 GIAARO CCOC(=O)c1cc(Br)cnc1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097436605 211363905 /nfs/dbraw/zinc/36/39/05/211363905.db2.gz JKSPKNPZSFTHNK-HNNXBMFYSA-N 1 0 389.293 4.010 50 0 GIAARO C[C@@H]1CCCN(C(=O)c2ccc(NC3CC[NH+](CC4CCCC4)CC3)nc2)C1 ZINC000095958808 211287109 /nfs/dbraw/zinc/28/71/09/211287109.db2.gz BHSVIPQUSSTWKW-GOSISDBHSA-N 1 0 384.568 4.020 50 0 GIAARO Cc1ccc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c(C[NH+](C)C)c1 ZINC000095944170 211284625 /nfs/dbraw/zinc/28/46/25/211284625.db2.gz DTDMTHYJYGCKTD-UHFFFAOYSA-N 1 0 386.439 4.017 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2nccs2)C[C@@H]2CCCO2)CC1 ZINC000095525416 211268944 /nfs/dbraw/zinc/26/89/44/211268944.db2.gz REOPMQBKQYPSMO-QFIPXVFZSA-N 1 0 399.604 4.345 50 0 GIAARO Cc1ncsc1C[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095518415 211264887 /nfs/dbraw/zinc/26/48/87/211264887.db2.gz YGRUVGJNPAOESC-UHFFFAOYSA-N 1 0 389.952 4.120 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(Cl)cn2C)C1 ZINC000095503165 211255328 /nfs/dbraw/zinc/25/53/28/211255328.db2.gz IMRIZBNBJHPSSB-GOSISDBHSA-N 1 0 387.955 4.014 50 0 GIAARO Clc1cnc(NCC[NH2+]Cc2c(C3CC3)nc3sccn23)c(Cl)c1 ZINC000095428454 211238652 /nfs/dbraw/zinc/23/86/52/211238652.db2.gz FJWXKHLTMRHKPQ-UHFFFAOYSA-N 1 0 382.320 4.177 50 0 GIAARO CCc1noc(C2CCC([NH2+]Cc3cc(F)ccc3Br)CC2)n1 ZINC000095467439 211245718 /nfs/dbraw/zinc/24/57/18/211245718.db2.gz VRZXCUIULAUGQB-UHFFFAOYSA-N 1 0 382.277 4.350 50 0 GIAARO CCn1nc(C)cc1C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095461572 211244323 /nfs/dbraw/zinc/24/43/23/211244323.db2.gz JFELAJBOBUEQRZ-NRFANRHFSA-N 1 0 398.551 4.243 50 0 GIAARO CN([C@@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457110 211242162 /nfs/dbraw/zinc/24/21/62/211242162.db2.gz KBYKVZKBTULHBK-JOCHJYFZSA-N 1 0 397.950 4.042 50 0 GIAARO COc1cccc(CNc2c(C)cnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000095455320 211241940 /nfs/dbraw/zinc/24/19/40/211241940.db2.gz NFJSSWGRKMOKRU-NRFANRHFSA-N 1 0 376.504 4.259 50 0 GIAARO CSc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000095359936 211223855 /nfs/dbraw/zinc/22/38/55/211223855.db2.gz NYDMLNAGUHFOHB-FXAWDEMLSA-N 1 0 384.520 4.284 50 0 GIAARO CCCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)o1 ZINC000092022473 211211994 /nfs/dbraw/zinc/21/19/94/211211994.db2.gz FBBJDTLTLHHONO-QHCPKHFHSA-N 1 0 381.520 4.032 50 0 GIAARO O=C1CCC2(CC[NH+](CC[C@@H](O)c3ccccc3)CC2)CN1Cc1ccccc1 ZINC000091876381 211210967 /nfs/dbraw/zinc/21/09/67/211210967.db2.gz ZJYYRTWDFBMKDY-HSZRJFAPSA-N 1 0 392.543 4.015 50 0 GIAARO O=C(c1ccc2[nH]ccc2c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091915312 211210504 /nfs/dbraw/zinc/21/05/04/211210504.db2.gz SZKJVBQGWNRTAF-LAUBAEHRSA-N 1 0 377.463 4.044 50 0 GIAARO O=C1CCC2(CC[NH+](Cc3ccc(Cl)s3)CC2)CN1Cc1ccncc1 ZINC000092077003 211215240 /nfs/dbraw/zinc/21/52/40/211215240.db2.gz GTQCXQMLECVGED-UHFFFAOYSA-N 1 0 389.952 4.201 50 0 GIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cnccc3C)CC2)C1 ZINC000091657195 211202073 /nfs/dbraw/zinc/20/20/73/211202073.db2.gz HOVFZWJSNRJOOF-OAQYLSRUSA-N 1 0 377.532 4.122 50 0 GIAARO Cc1[nH]c2c(c1CC(=O)NC1CC[NH+](Cc3ccco3)CC1)c(C)ccc2C ZINC000091649865 211200329 /nfs/dbraw/zinc/20/03/29/211200329.db2.gz JDNAJEIAMRUIOQ-UHFFFAOYSA-N 1 0 379.504 4.009 50 0 GIAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(Cl)cc1F)C2 ZINC000091643850 211199003 /nfs/dbraw/zinc/19/90/03/211199003.db2.gz VEBFXZICWVXGJJ-MAUKXSAKSA-N 1 0 377.891 4.180 50 0 GIAARO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cc1 ZINC000091626228 211198872 /nfs/dbraw/zinc/19/88/72/211198872.db2.gz QZPDOTBYFUSGAF-UHFFFAOYSA-N 1 0 377.532 4.049 50 0 GIAARO FC(F)(F)c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000091625703 211198552 /nfs/dbraw/zinc/19/85/52/211198552.db2.gz AUADBWVQAAIIRC-PKOBYXMFSA-N 1 0 375.438 4.197 50 0 GIAARO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)c1 ZINC000089689118 211184011 /nfs/dbraw/zinc/18/40/11/211184011.db2.gz TZOXLVMYNIDQGZ-QFIPXVFZSA-N 1 0 395.547 4.148 50 0 GIAARO CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000077341601 211130783 /nfs/dbraw/zinc/13/07/83/211130783.db2.gz BMXWSSVOCJCPBM-IBGZPJMESA-N 1 0 377.513 4.159 50 0 GIAARO Cc1ncccc1C(=O)N(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000077252004 211129197 /nfs/dbraw/zinc/12/91/97/211129197.db2.gz BMZWEOBKMOCNGJ-UHFFFAOYSA-N 1 0 385.939 4.070 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CC[C@H]([NH+](C)C)C2)c(C)s1 ZINC000072479718 211125010 /nfs/dbraw/zinc/12/50/10/211125010.db2.gz XSGZHIRPLJXAJV-SFHVURJKSA-N 1 0 398.551 4.493 50 0 GIAARO CCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000072475005 211122913 /nfs/dbraw/zinc/12/29/13/211122913.db2.gz PUAAPOJXSSGHCD-JTHBVZDNSA-N 1 0 377.532 4.362 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)[C@H]2CCN(C)C2)cc1 ZINC000072467826 211121941 /nfs/dbraw/zinc/12/19/41/211121941.db2.gz HNAQXLLADYWAMS-NRFANRHFSA-N 1 0 375.516 4.355 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCCOCC2)cc1OC ZINC000072448256 211120523 /nfs/dbraw/zinc/12/05/23/211120523.db2.gz MQMBKMKQUKDHSR-UHFFFAOYSA-N 1 0 392.499 4.450 50 0 GIAARO Cc1ccc(C)c(-n2cc(CN3CC[N@@H+]4CCC[C@@H]4C3)c(-c3ccccc3)n2)c1 ZINC000072453631 211119438 /nfs/dbraw/zinc/11/94/38/211119438.db2.gz AIXXHXRYNMQZRT-HSZRJFAPSA-N 1 0 386.543 4.436 50 0 GIAARO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2cc(C)ccc2nc1-c1ccc(F)cc1 ZINC000072432991 211118874 /nfs/dbraw/zinc/11/88/74/211118874.db2.gz YHDYZNPMWXBFIC-NRFANRHFSA-N 1 0 377.463 4.060 50 0 GIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000072429331 211118634 /nfs/dbraw/zinc/11/86/34/211118634.db2.gz RURBOIFQBRUOPX-QFIPXVFZSA-N 1 0 377.488 4.159 50 0 GIAARO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc2ccc(F)cc2nc1-c1cccc(Cl)c1 ZINC000072408933 211114005 /nfs/dbraw/zinc/11/40/05/211114005.db2.gz OEXOLPVWUVFJAI-LJQANCHMSA-N 1 0 383.854 4.144 50 0 GIAARO COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c(OC)c1 ZINC000072312739 211088203 /nfs/dbraw/zinc/08/82/03/211088203.db2.gz PALRWKDXEPKPEB-UWJYYQICSA-N 1 0 386.536 4.022 50 0 GIAARO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000072305161 211086335 /nfs/dbraw/zinc/08/63/35/211086335.db2.gz OGRKSUSQAHHCPV-MOPGFXCFSA-N 1 0 382.552 4.198 50 0 GIAARO O=C(c1ccc2cccc(Cl)c2n1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000072168505 211080713 /nfs/dbraw/zinc/08/07/13/211080713.db2.gz HZDVYKPFTIKDMO-JOCHJYFZSA-N 1 0 383.923 4.226 50 0 GIAARO CC(=O)[C@]1(C)[C@H](c2ccccc2)c2c(CC[NH+](C)C)c3ccccc3n2[C@@]1(C)O ZINC000071769170 211061068 /nfs/dbraw/zinc/06/10/68/211061068.db2.gz BHTWITDITMMLFR-GPXOXTDOSA-N 1 0 390.527 4.151 50 0 GIAARO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000071498074 211049217 /nfs/dbraw/zinc/04/92/17/211049217.db2.gz IISFXVYMDORKEJ-FQEVSTJZSA-N 1 0 394.490 4.010 50 0 GIAARO CNc1nc(N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cc(C)[nH+]1 ZINC000071405614 211047319 /nfs/dbraw/zinc/04/73/19/211047319.db2.gz DIFTXGBLFRZTTH-GOSISDBHSA-N 1 0 386.499 4.178 50 0 GIAARO Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CCN(C2CC[NH+](C)CC2)C1 ZINC000071280467 211041979 /nfs/dbraw/zinc/04/19/79/211041979.db2.gz GLNBRPIPBOSSGY-UHFFFAOYSA-N 1 0 388.559 4.040 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H](c1ccccc1)C(F)(F)F ZINC000069417676 211038044 /nfs/dbraw/zinc/03/80/44/211038044.db2.gz VHQRCIKTLLEJIN-DOTOQJQBSA-N 1 0 381.398 4.019 50 0 GIAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000069676548 211039035 /nfs/dbraw/zinc/03/90/35/211039035.db2.gz MAQOTROJARLKKO-CABCVRRESA-N 1 0 381.398 4.059 50 0 GIAARO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000069676544 211038263 /nfs/dbraw/zinc/03/82/63/211038263.db2.gz MAQOTROJARLKKO-GJZGRUSLSA-N 1 0 381.398 4.059 50 0 GIAARO CC(C)NC(=O)CC[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067967526 211030670 /nfs/dbraw/zinc/03/06/70/211030670.db2.gz YXCMJLCQJQRVOZ-UHFFFAOYSA-N 1 0 389.499 4.281 50 0 GIAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000067983574 211032925 /nfs/dbraw/zinc/03/29/25/211032925.db2.gz JVBQAMQPPKOISJ-MRXNPFEDSA-N 1 0 387.911 4.138 50 0 GIAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](CCCn1cccn1)C2 ZINC000067885953 211027268 /nfs/dbraw/zinc/02/72/68/211027268.db2.gz COZYIVTYOGEJKI-UHFFFAOYSA-N 1 0 383.879 4.194 50 0 GIAARO Cc1ccsc1C[NH+]1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1 ZINC000067690368 211017520 /nfs/dbraw/zinc/01/75/20/211017520.db2.gz QSXFWOPEPOEWLI-UHFFFAOYSA-N 1 0 384.545 4.336 50 0 GIAARO CCCc1ccc2oc(C(=O)N3CCC([NH+]4CCSCC4)CC3)c(C)c2c1 ZINC000067783678 211021978 /nfs/dbraw/zinc/02/19/78/211021978.db2.gz FSPOBMMECMHMRB-UHFFFAOYSA-N 1 0 386.561 4.347 50 0 GIAARO Cc1ccc([C@H]2CC(c3ccccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)cc1 ZINC000065298478 210986444 /nfs/dbraw/zinc/98/64/44/210986444.db2.gz SCYOMWVLWYOZIC-OAQYLSRUSA-N 1 0 377.532 4.425 50 0 GIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000040090886 210772452 /nfs/dbraw/zinc/77/24/52/210772452.db2.gz HNLHLEXVJRHZJV-UHFFFAOYSA-N 1 0 397.906 4.315 50 0 GIAARO C[N@H+](Cc1ccccc1NCCn1c2ccccc2oc1=O)C1CCCCC1 ZINC000030588323 210556267 /nfs/dbraw/zinc/55/62/67/210556267.db2.gz XGMUTMIKOYVVIQ-UHFFFAOYSA-N 1 0 379.504 4.471 50 0 GIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C1 ZINC000021934159 210401093 /nfs/dbraw/zinc/40/10/93/210401093.db2.gz YIZTTYONZWYLDF-GOSISDBHSA-N 1 0 388.515 4.149 50 0 GIAARO C[N@H+](CCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21)Cc1ccccc1 ZINC000021714780 210389931 /nfs/dbraw/zinc/38/99/31/210389931.db2.gz BOTOKEHHJYNNNH-UHFFFAOYSA-N 1 0 395.413 4.107 50 0 GIAARO CC[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2onc(-c3ccccc3OC)c21 ZINC000021715084 210389244 /nfs/dbraw/zinc/38/92/44/210389244.db2.gz ZMLOMQUBYGWQSU-MRXNPFEDSA-N 1 0 395.507 4.360 50 0 GIAARO COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)cc1Cl ZINC000021659842 210387425 /nfs/dbraw/zinc/38/74/25/210387425.db2.gz ZCOPBYPCBHJRKA-GOSISDBHSA-N 1 0 390.911 4.453 50 0 GIAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)no2)cc1 ZINC000021805553 210395904 /nfs/dbraw/zinc/39/59/04/210395904.db2.gz DHWIEPOEJCWMMP-GOSISDBHSA-N 1 0 381.501 4.278 50 0 GIAARO Cc1cc(N2CC[NH+](C3CCCCC3)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000021798944 210393876 /nfs/dbraw/zinc/39/38/76/210393876.db2.gz ZQYBGRIWRQKQBT-UHFFFAOYSA-N 1 0 393.510 4.299 50 0 GIAARO CCCCOc1ccc([C@](C)(O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021168468 210380758 /nfs/dbraw/zinc/38/07/58/210380758.db2.gz IBGVOFQHCXCDAQ-ZEQRLZLVSA-N 1 0 383.532 4.189 50 0 GIAARO CC(C)CC[C@@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170120 210380450 /nfs/dbraw/zinc/38/04/50/210380450.db2.gz PWIDABSTYCVTRN-BJKOFHAPSA-N 1 0 383.532 4.132 50 0 GIAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000020992963 210373037 /nfs/dbraw/zinc/37/30/37/210373037.db2.gz FERXVTXJCNVALG-HXUWFJFHSA-N 1 0 387.930 4.266 50 0 GIAARO Cc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c(C)c1 ZINC000020927294 210370242 /nfs/dbraw/zinc/37/02/42/210370242.db2.gz WVAIGCRWFJVCOR-UHFFFAOYSA-N 1 0 394.544 4.465 50 0 GIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000020889696 210366439 /nfs/dbraw/zinc/36/64/39/210366439.db2.gz YGMZRECGJVHZNH-UHFFFAOYSA-N 1 0 397.519 4.046 50 0 GIAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccc(C)cc1 ZINC000020873992 210364467 /nfs/dbraw/zinc/36/44/67/210364467.db2.gz YBUHLTRERLLTQS-JOCHJYFZSA-N 1 0 377.484 4.406 50 0 GIAARO c1c2ccccc2oc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020453075 210336737 /nfs/dbraw/zinc/33/67/37/210336737.db2.gz RBOPLZLSDRYXJS-JOCHJYFZSA-N 1 0 375.516 4.219 50 0 GIAARO c1c2ccccc2oc1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020453077 210336556 /nfs/dbraw/zinc/33/65/56/210336556.db2.gz RBOPLZLSDRYXJS-QFIPXVFZSA-N 1 0 375.516 4.219 50 0 GIAARO Fc1ccc(NC(=S)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000020363609 210328889 /nfs/dbraw/zinc/32/88/89/210328889.db2.gz VIQUALVTHKHFNT-UHFFFAOYSA-N 1 0 379.504 4.494 50 0 GIAARO C[C@H]1C[NH+](CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000020365366 210328635 /nfs/dbraw/zinc/32/86/35/210328635.db2.gz LQMSRCXMPDAAPQ-GJZGRUSLSA-N 1 0 380.315 4.339 50 0 GIAARO Cc1ccccc1-c1cccc(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)c1 ZINC000020294925 210327559 /nfs/dbraw/zinc/32/75/59/210327559.db2.gz TVKJAKQEIOLNND-XMMPIXPASA-N 1 0 378.560 4.331 50 0 GIAARO O[C@@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000020218808 210323962 /nfs/dbraw/zinc/32/39/62/210323962.db2.gz PAWQPFAQROYTGO-SFHVURJKSA-N 1 0 384.829 4.214 50 0 GIAARO O=c1cc(Cc2cccc(F)c2)nc(-c2cccc(C[NH+]3CCCCC3)c2)[nH]1 ZINC000020455650 210335725 /nfs/dbraw/zinc/33/57/25/210335725.db2.gz RCNJONBPDIGTAR-UHFFFAOYSA-N 1 0 377.463 4.153 50 0 GIAARO OCC[C@H]1CN(Cc2ccccc2-c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000020206863 210321721 /nfs/dbraw/zinc/32/17/21/210321721.db2.gz WNDDPMIWMQWPDI-QFIPXVFZSA-N 1 0 376.500 4.015 50 0 GIAARO CCCn1ncc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1C ZINC000020203669 210321448 /nfs/dbraw/zinc/32/14/48/210321448.db2.gz OECUMCAFNRGZMB-NRFANRHFSA-N 1 0 386.559 4.127 50 0 GIAARO Cc1ccccc1-c1nc2c3c4c(sc3ncn2n1)C(C)(C)[NH2+]C(C)(C)C4 ZINC000019771548 210296433 /nfs/dbraw/zinc/29/64/33/210296433.db2.gz ZJUGPXDVYYEFEN-UHFFFAOYSA-N 1 0 377.517 4.474 50 0 GIAARO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)c1 ZINC000019791379 210295482 /nfs/dbraw/zinc/29/54/82/210295482.db2.gz WMGQJGDTVQCPBV-MRXNPFEDSA-N 1 0 386.455 4.285 50 0 GIAARO OCC1CCN([C@@H]2CCC[N@H+](Cc3cccc4c5ccccc5oc43)C2)CC1 ZINC000019732424 210290553 /nfs/dbraw/zinc/29/05/53/210290553.db2.gz KVIQSMSOJZJKSO-HXUWFJFHSA-N 1 0 378.516 4.255 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2nc3ccccc3n2C)C1 ZINC000011820151 221129682 /nfs/dbraw/zinc/12/96/82/221129682.db2.gz XLMVBBFPNVATRS-OAQYLSRUSA-N 1 0 390.575 4.268 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(F)cc1)c1ccccc1Cl ZINC000011917249 221137102 /nfs/dbraw/zinc/13/71/02/221137102.db2.gz YDVIGGYLGJMGCH-LJQANCHMSA-N 1 0 378.875 4.057 50 0 GIAARO COc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000016994710 221375192 /nfs/dbraw/zinc/37/51/92/221375192.db2.gz SINZIAUESVWWAX-OAHLLOKOSA-N 1 0 381.883 4.495 50 0 GIAARO Cc1cccc(N2CC[N@@H+](CCCNc3nc(-c4ccccc4)no3)C[C@H]2C)c1 ZINC000021629844 136203204 /nfs/dbraw/zinc/20/32/04/136203204.db2.gz ZJKQOGUILIXPRV-LJQANCHMSA-N 1 0 391.519 4.058 50 0 GIAARO Cc1cc(CNC(=O)c2cccc(-c3ccc(C[NH+]4CCCC4)cc3)c2)no1 ZINC000426510257 533681345 /nfs/dbraw/zinc/68/13/45/533681345.db2.gz XOKRWOCYBQHNSO-UHFFFAOYSA-N 1 0 375.472 4.176 50 0 GIAARO O[C@H](C[NH2+]CCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc21 ZINC000101102777 534427712 /nfs/dbraw/zinc/42/77/12/534427712.db2.gz LJWMTSMUQJNHOC-LJQANCHMSA-N 1 0 383.495 4.469 50 0 GIAARO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000240569397 524909165 /nfs/dbraw/zinc/90/91/65/524909165.db2.gz HAIRCOFRSFMERV-MTNOOBJLSA-N 1 0 378.944 4.280 50 0 GIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000048354752 570241992 /nfs/dbraw/zinc/24/19/92/570241992.db2.gz JTJDGMPCTMUFSP-OAQYLSRUSA-N 1 0 382.483 4.148 50 0 GIAARO COc1ccc(OCCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000048355914 570244417 /nfs/dbraw/zinc/24/44/17/570244417.db2.gz ZUTVBUHMHPJHFW-LJQANCHMSA-N 1 0 396.531 4.155 50 0 GIAARO COc1ccc(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)c2ccccc12 ZINC000102093446 570287068 /nfs/dbraw/zinc/28/70/68/570287068.db2.gz RVJSYPXVNLVLON-FVQHAEBGSA-N 1 0 378.472 4.300 50 0 GIAARO CCCOc1c(Br)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1OC ZINC000020932925 570288148 /nfs/dbraw/zinc/28/81/48/570288148.db2.gz GMOFFUYTIKYVJS-KRWDZBQOSA-N 1 0 394.309 4.070 50 0 GIAARO COc1ccc([C@H]2CN(C(=O)C3CCCC3)C[C@H]2C[NH+]2CCC(C)CC2)cc1 ZINC000034692537 570296650 /nfs/dbraw/zinc/29/66/50/570296650.db2.gz KIZWDBRIURFPJM-FYYLOGMGSA-N 1 0 384.564 4.159 50 0 GIAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCC3)n2[C@H](C)c2ccccc2)s1 ZINC000034680322 570299399 /nfs/dbraw/zinc/29/93/99/570299399.db2.gz HNOIFMGIVHAIRT-QGZVFWFLSA-N 1 0 381.545 4.446 50 0 GIAARO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000022074699 570304888 /nfs/dbraw/zinc/30/48/88/570304888.db2.gz NKMORRKHDOTTKQ-UHFFFAOYSA-N 1 0 383.319 4.232 50 0 GIAARO COc1ccc(OC)c(NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000002859202 570311017 /nfs/dbraw/zinc/31/10/17/570311017.db2.gz KAIFAZVIJLQERW-UHFFFAOYSA-N 1 0 385.533 4.499 50 0 GIAARO CC1CC[NH+]([C@H](CNC(=O)N2CCc3sccc3C2)c2cccs2)CC1 ZINC000022388821 570315687 /nfs/dbraw/zinc/31/56/87/570315687.db2.gz WNENOVFOYHFXDO-QGZVFWFLSA-N 1 0 389.590 4.351 50 0 GIAARO CC[N@@H+]1CC[C@@H](CNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000121560918 570316457 /nfs/dbraw/zinc/31/64/57/570316457.db2.gz JMFFHKKZDFIHMR-KRWDZBQOSA-N 1 0 378.472 4.083 50 0 GIAARO Cc1ccc(OCc2nc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cs2)cc1 ZINC000016235323 570320832 /nfs/dbraw/zinc/32/08/32/570320832.db2.gz DVFKSZBTJKCLIZ-UHFFFAOYSA-N 1 0 395.528 4.022 50 0 GIAARO Cc1noc(C)c1CSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000023484267 570324784 /nfs/dbraw/zinc/32/47/84/570324784.db2.gz KUZBCGUTFJRYKU-UHFFFAOYSA-N 1 0 383.521 4.150 50 0 GIAARO Cc1cccc([C@@H]2C[C@@H](C(=O)N3CCSCC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733618 570325751 /nfs/dbraw/zinc/32/57/51/570325751.db2.gz BPEQZQSWFLUXPW-DHIUTWEWSA-N 1 0 394.584 4.176 50 0 GIAARO COc1ccc(C[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000247868317 570327620 /nfs/dbraw/zinc/32/76/20/570327620.db2.gz BZQPCJYBMDOZBG-URXFXBBRSA-N 1 0 381.516 4.115 50 0 GIAARO CC(C)Oc1ccc(C[NH2+]CCCOc2ccccn2)cc1Br ZINC000113396630 570331426 /nfs/dbraw/zinc/33/14/26/570331426.db2.gz IGJSGWWICFLWMX-UHFFFAOYSA-N 1 0 379.298 4.190 50 0 GIAARO COc1cc(C[NH2+]CCc2nc3ccccc3[nH]2)ccc1OCc1ccccc1 ZINC000113399434 570332532 /nfs/dbraw/zinc/33/25/32/570332532.db2.gz APFYYHXOEKBVPF-UHFFFAOYSA-N 1 0 387.483 4.483 50 0 GIAARO CSc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000022914648 570334672 /nfs/dbraw/zinc/33/46/72/570334672.db2.gz UZKBCLCWWDLMNR-JOCHJYFZSA-N 1 0 399.579 4.334 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc(-c3cnn(C)c3)n2)cc1 ZINC000053722152 570338953 /nfs/dbraw/zinc/33/89/53/570338953.db2.gz PGMGARVICNTPMV-OAHLLOKOSA-N 1 0 395.532 4.170 50 0 GIAARO CC[N@@H+](Cc1ccc(OC)c(F)c1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247882524 570340399 /nfs/dbraw/zinc/34/03/99/570340399.db2.gz JSTULRYVORSFOB-KNQAVFIVSA-N 1 0 387.495 4.111 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cc2)CC1 ZINC000023134003 570346055 /nfs/dbraw/zinc/34/60/55/570346055.db2.gz WOFCFTRQNNOXIR-UHFFFAOYSA-N 1 0 399.585 4.169 50 0 GIAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1cccs1)N1CCCC1)O[C@H](C)C2 ZINC000023257840 570353102 /nfs/dbraw/zinc/35/31/02/570353102.db2.gz YDXKPWSNXKLSLD-VQIMIIECSA-N 1 0 386.561 4.397 50 0 GIAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1cccs1)N1CCCC1)O[C@@H](C)C2 ZINC000023257849 570353329 /nfs/dbraw/zinc/35/33/29/570353329.db2.gz YDXKPWSNXKLSLD-LPHOPBHVSA-N 1 0 386.561 4.397 50 0 GIAARO Cc1cccc(N2CC[NH+](CCCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1 ZINC000006276228 570356549 /nfs/dbraw/zinc/35/65/49/570356549.db2.gz AVFXFFANYTYCGP-UHFFFAOYSA-N 1 0 392.499 4.001 50 0 GIAARO CCCO[C@@H]1CCC[N@H+](Cc2ccc(-c3nc(C(F)(F)F)cc(=O)[nH]3)cc2)C1 ZINC000023431076 570362351 /nfs/dbraw/zinc/36/23/51/570362351.db2.gz QTYQSGDCJBPTTO-MRXNPFEDSA-N 1 0 395.425 4.259 50 0 GIAARO C[C@@H]1CCc2sc3ncnc(N4CC[NH+](CCc5ccccc5)CC4)c3c2C1 ZINC000004264082 570364589 /nfs/dbraw/zinc/36/45/89/570364589.db2.gz BCINONSXKBIBAT-QGZVFWFLSA-N 1 0 392.572 4.181 50 0 GIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000004322925 570367810 /nfs/dbraw/zinc/36/78/10/570367810.db2.gz BSCCVUAAVZMDBG-LBPRGKRZSA-N 1 0 382.291 4.171 50 0 GIAARO COc1cccc(NC(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)c1OC ZINC000575620724 570369837 /nfs/dbraw/zinc/36/98/37/570369837.db2.gz LSRNNRBIWKPULK-KRWDZBQOSA-N 1 0 399.516 4.343 50 0 GIAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@H](O)c1ccccc1)CC2 ZINC000023882208 570374558 /nfs/dbraw/zinc/37/45/58/570374558.db2.gz VVHYMQWHTKCPDC-DHLKQENFSA-N 1 0 389.495 4.385 50 0 GIAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000237518179 570375088 /nfs/dbraw/zinc/37/50/88/570375088.db2.gz ZKYDOAUGWKWADZ-JKSUJKDBSA-N 1 0 393.462 4.347 50 0 GIAARO Fc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1Br ZINC000058165458 570377513 /nfs/dbraw/zinc/37/75/13/570377513.db2.gz ZNUWZQAOJBHMHM-UHFFFAOYSA-N 1 0 377.301 4.342 50 0 GIAARO O=C(COc1cccc(C(F)(F)F)c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012974414 570383397 /nfs/dbraw/zinc/38/33/97/570383397.db2.gz UXXHYUCFYBBUMB-UHFFFAOYSA-N 1 0 398.469 4.389 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)c2cn(C)c3ccccc23)c2cccs2)CC1 ZINC000032748016 570393568 /nfs/dbraw/zinc/39/35/68/570393568.db2.gz DYGOHUZMLVRNHO-FQEVSTJZSA-N 1 0 381.545 4.443 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)C1 ZINC000005035017 570403550 /nfs/dbraw/zinc/40/35/50/570403550.db2.gz IOZPOLXFWTYGRT-HOTGVXAUSA-N 1 0 399.966 4.475 50 0 GIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2Cl)C1 ZINC000006419947 570405884 /nfs/dbraw/zinc/40/58/84/570405884.db2.gz SYJMEGKHXWYAPG-GFCCVEGCSA-N 1 0 382.291 4.159 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccsc1 ZINC000025330724 570411221 /nfs/dbraw/zinc/41/12/21/570411221.db2.gz VJLPNISJVQPCEZ-NRFANRHFSA-N 1 0 390.512 4.120 50 0 GIAARO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000025357730 570411751 /nfs/dbraw/zinc/41/17/51/570411751.db2.gz GXQHKJHQGPYLFM-UHFFFAOYSA-N 1 0 377.868 4.151 50 0 GIAARO COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000004983204 570421605 /nfs/dbraw/zinc/42/16/05/570421605.db2.gz WCBUUPUWPLJAST-UHFFFAOYSA-N 1 0 394.302 4.006 50 0 GIAARO C[NH+](C)CCCN(C(=O)c1ccc(F)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000005122675 570421700 /nfs/dbraw/zinc/42/17/00/570421700.db2.gz LMTCLLGVNDHNTE-UHFFFAOYSA-N 1 0 393.434 4.312 50 0 GIAARO COc1ccc(-c2nc(=S)c3c(n2CCC[NH+](C)C)CC(C)(C)OC3)cc1 ZINC000005050090 570426077 /nfs/dbraw/zinc/42/60/77/570426077.db2.gz KPWMSHVDOQLJDQ-UHFFFAOYSA-N 1 0 387.549 4.091 50 0 GIAARO COc1ccc(OCC[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000011011399 570431381 /nfs/dbraw/zinc/43/13/81/570431381.db2.gz YGKMUPAEBZBAQR-UHFFFAOYSA-N 1 0 390.483 4.458 50 0 GIAARO Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)c2c1 ZINC000005274563 570432986 /nfs/dbraw/zinc/43/29/86/570432986.db2.gz CKXLBBXTRBFNOM-QFIPXVFZSA-N 1 0 397.478 4.094 50 0 GIAARO CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000038545833 570433027 /nfs/dbraw/zinc/43/30/27/570433027.db2.gz UGGBQTOQPGUEMG-NRFANRHFSA-N 1 0 386.561 4.425 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027581547 570436539 /nfs/dbraw/zinc/43/65/39/570436539.db2.gz CWACDFNRGZQZEL-HXUWFJFHSA-N 1 0 386.923 4.371 50 0 GIAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc1 ZINC000027662241 570438178 /nfs/dbraw/zinc/43/81/78/570438178.db2.gz UTXBCFRJGUMTKK-QHCPKHFHSA-N 1 0 396.531 4.441 50 0 GIAARO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000027793484 570443083 /nfs/dbraw/zinc/44/30/83/570443083.db2.gz OUGZNIRRPPIZFH-ICSRJNTNSA-N 1 0 384.520 4.432 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000027990321 570448248 /nfs/dbraw/zinc/44/82/48/570448248.db2.gz RCAPPHDFNSTYES-LJQANCHMSA-N 1 0 387.321 4.324 50 0 GIAARO O=C(NNc1cccc(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000252532972 570451936 /nfs/dbraw/zinc/45/19/36/570451936.db2.gz FPLAFVNSOBJOGV-DLBZAZTESA-N 1 0 397.828 4.094 50 0 GIAARO O[C@H](C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000028260659 570453597 /nfs/dbraw/zinc/45/35/97/570453597.db2.gz JBHHHGAIYZWTAK-HXUWFJFHSA-N 1 0 396.428 4.086 50 0 GIAARO CC1CC[NH+]([C@@H](CNC(=O)COc2ccccc2Cl)c2cccs2)CC1 ZINC000028291534 570455899 /nfs/dbraw/zinc/45/58/99/570455899.db2.gz ZMAGLUQBSMOOES-KRWDZBQOSA-N 1 0 392.952 4.370 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000028291990 570456747 /nfs/dbraw/zinc/45/67/47/570456747.db2.gz ORGPMHDPFMSEEA-LJQANCHMSA-N 1 0 387.321 4.406 50 0 GIAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3Cc4ccccc4S3)cc2)CC1 ZINC000029358628 570472632 /nfs/dbraw/zinc/47/26/32/570472632.db2.gz DQWABGPYCCFBNA-QFIPXVFZSA-N 1 0 380.557 4.252 50 0 GIAARO Cc1cc(=O)[nH]c2ccc(-c3ccc(C(=O)N[C@@H](C)C[NH+]4CCCC4)cc3)cc12 ZINC000584891007 570474310 /nfs/dbraw/zinc/47/43/10/570474310.db2.gz LXHRLPVKXHBBEW-KRWDZBQOSA-N 1 0 389.499 4.130 50 0 GIAARO Cc1cc(C)n2ncc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)c2n1 ZINC000029880262 570482082 /nfs/dbraw/zinc/48/20/82/570482082.db2.gz JFPSUTCQTZOSPP-UHFFFAOYSA-N 1 0 391.519 4.363 50 0 GIAARO O=c1c2ccc(C(F)(F)F)cc2ncn1CCC1CC[NH+](C2CCCC2)CC1 ZINC000032561772 570511448 /nfs/dbraw/zinc/51/14/48/570511448.db2.gz NMYUWCZVEZYJSB-UHFFFAOYSA-N 1 0 393.453 4.460 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1 ZINC000032622398 570512454 /nfs/dbraw/zinc/51/24/54/570512454.db2.gz MIVRBHIMBQSNFW-GOSISDBHSA-N 1 0 387.842 4.167 50 0 GIAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)s2)ccc1OCC(N)=O ZINC000033087215 570519954 /nfs/dbraw/zinc/51/99/54/570519954.db2.gz ZACQSTKMQRNZRV-KRWDZBQOSA-N 1 0 388.533 4.047 50 0 GIAARO CC[NH+](CC)CCSc1ccc(C(=O)Nc2nc3ccccc3s2)cn1 ZINC000033115250 570520647 /nfs/dbraw/zinc/52/06/47/570520647.db2.gz WDYXFBOAQDRYKJ-UHFFFAOYSA-N 1 0 386.546 4.378 50 0 GIAARO Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000072307024 570524868 /nfs/dbraw/zinc/52/48/68/570524868.db2.gz COASFCGNTUPJEE-GFCCVEGCSA-N 1 0 381.398 4.486 50 0 GIAARO Cc1cc(=O)oc2c1cc(Cl)c1c2CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000006668915 570527040 /nfs/dbraw/zinc/52/70/40/570527040.db2.gz HHZQLECONRETBB-UHFFFAOYSA-N 1 0 390.911 4.216 50 0 GIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccccc3)nc21 ZINC000005256890 570527373 /nfs/dbraw/zinc/52/73/73/570527373.db2.gz WPHBRMZTVKFLFF-UHFFFAOYSA-N 1 0 389.908 4.167 50 0 GIAARO CCC[NH+]1CCC(NC(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)CC1 ZINC000072309750 570533179 /nfs/dbraw/zinc/53/31/79/570533179.db2.gz KFIFHWLDOIRHJP-UHFFFAOYSA-N 1 0 391.519 4.236 50 0 GIAARO COc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)sc2cccc(F)c21 ZINC000064756304 570534600 /nfs/dbraw/zinc/53/46/00/570534600.db2.gz RTAQVDCWGSUMQW-UHFFFAOYSA-N 1 0 376.497 4.140 50 0 GIAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cccc4[nH]ccc43)cc2)CC1 ZINC000072310367 570536255 /nfs/dbraw/zinc/53/62/55/570536255.db2.gz PNJNAUJWPFTBCF-UHFFFAOYSA-N 1 0 376.504 4.198 50 0 GIAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2cccc(C)c2)cc1 ZINC000036098664 570536380 /nfs/dbraw/zinc/53/63/80/570536380.db2.gz SCHWJJBYLQKSNJ-HXUWFJFHSA-N 1 0 381.472 4.039 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)c1 ZINC000036098259 570536566 /nfs/dbraw/zinc/53/65/66/570536566.db2.gz ASDPXKNSBOKTEP-XMMPIXPASA-N 1 0 391.511 4.275 50 0 GIAARO O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102632 570539714 /nfs/dbraw/zinc/53/97/14/570539714.db2.gz AJVQYVKHJHPSNM-FQEVSTJZSA-N 1 0 387.426 4.138 50 0 GIAARO O=C(NCc1ccccc1C(F)(F)F)C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000064818050 570553543 /nfs/dbraw/zinc/55/35/43/570553543.db2.gz ARPARWJUOFMNIK-UHFFFAOYSA-N 1 0 392.396 4.293 50 0 GIAARO Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CC[NH+](C2CCCCC2)CC1 ZINC000040216583 570563755 /nfs/dbraw/zinc/56/37/55/570563755.db2.gz PKIGJUBIKCVYTM-UHFFFAOYSA-N 1 0 389.547 4.468 50 0 GIAARO O=C(COc1ccccc1)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907723 570564210 /nfs/dbraw/zinc/56/42/10/570564210.db2.gz SERBJDHHKYIDIF-NRFANRHFSA-N 1 0 392.524 4.043 50 0 GIAARO C[C@@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000225411688 570571037 /nfs/dbraw/zinc/57/10/37/570571037.db2.gz ZQGZUMOMMCYHAA-VGSWGCGISA-N 1 0 394.519 4.016 50 0 GIAARO CCc1cc(=O)oc2c(C)c3c(cc12)CN(C1CC(C)(C)[NH2+]C(C)(C)C1)CO3 ZINC000006760133 570574838 /nfs/dbraw/zinc/57/48/38/570574838.db2.gz GESJQFFRLNSRKQ-UHFFFAOYSA-N 1 0 384.520 4.125 50 0 GIAARO FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cc1 ZINC000011662118 570577395 /nfs/dbraw/zinc/57/73/95/570577395.db2.gz IBBGFOUPAMLHQJ-QGZVFWFLSA-N 1 0 388.393 4.333 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C2CCOCC2)cc1F ZINC000011663105 570577807 /nfs/dbraw/zinc/57/78/07/570577807.db2.gz WBUKOZYGRBCTAF-UHFFFAOYSA-N 1 0 395.478 4.264 50 0 GIAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCC[C@@H](CCCO)C3)ccc2c1 ZINC000011663377 570577845 /nfs/dbraw/zinc/57/78/45/570577845.db2.gz MCYUADPBXVEUKP-KRWDZBQOSA-N 1 0 379.504 4.223 50 0 GIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000011663187 570577965 /nfs/dbraw/zinc/57/79/65/570577965.db2.gz LXNGDJFWAFLRCO-XMMPIXPASA-N 1 0 375.516 4.284 50 0 GIAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(OC)c(C)c3OC)C2)c1 ZINC000011770877 570582020 /nfs/dbraw/zinc/58/20/20/570582020.db2.gz UBKUETDDEWXNGT-GOSISDBHSA-N 1 0 383.488 4.116 50 0 GIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1C1Cc2ccccc2C1 ZINC000011817192 570584239 /nfs/dbraw/zinc/58/42/39/570584239.db2.gz TXOCFEJHCZNRHD-HSZRJFAPSA-N 1 0 399.494 4.444 50 0 GIAARO COc1cc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)cc2c1OCO2 ZINC000011879174 570590436 /nfs/dbraw/zinc/59/04/36/570590436.db2.gz ICSAGWARIFMSGS-UHFFFAOYSA-N 1 0 397.515 4.021 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000011948506 570595250 /nfs/dbraw/zinc/59/52/50/570595250.db2.gz YARABJZHZLUNMF-UHFFFAOYSA-N 1 0 378.451 4.112 50 0 GIAARO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000011956781 570595838 /nfs/dbraw/zinc/59/58/38/570595838.db2.gz JESXHZMGGJXDQI-LJQANCHMSA-N 1 0 385.939 4.070 50 0 GIAARO O=C(C1CCCC1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000011954064 570595855 /nfs/dbraw/zinc/59/58/55/570595855.db2.gz XAQLFZWHTMIDFR-GOSISDBHSA-N 1 0 376.491 4.216 50 0 GIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2)N1Cc1ccccc1OC(F)(F)F ZINC000012034818 570599996 /nfs/dbraw/zinc/59/99/96/570599996.db2.gz PIDIHKTWVDMNNW-SFHVURJKSA-N 1 0 392.421 4.256 50 0 GIAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)c(C)n1 ZINC000012056798 570602519 /nfs/dbraw/zinc/60/25/19/570602519.db2.gz HCVFALUDAUIMPA-NRFANRHFSA-N 1 0 391.515 4.468 50 0 GIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(C)c(O)c(C)c3)C2)c(OC)c1 ZINC000012058371 570603543 /nfs/dbraw/zinc/60/35/43/570603543.db2.gz VDIQXVKSSWKSSG-SFHVURJKSA-N 1 0 383.488 4.121 50 0 GIAARO COc1cc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)ccc1C ZINC000012073447 570604684 /nfs/dbraw/zinc/60/46/84/570604684.db2.gz XHXDJHNDRGBQPH-QFIPXVFZSA-N 1 0 380.532 4.173 50 0 GIAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCCN1CCOCC1 ZINC000040720642 570605414 /nfs/dbraw/zinc/60/54/14/570605414.db2.gz XUUSILCHRPHTHX-UHFFFAOYSA-N 1 0 388.939 4.039 50 0 GIAARO CCOc1cccc(C[NH2+]C[C@H](C)O)c1OCc1ccc(Cl)cc1Cl ZINC000040721043 570606002 /nfs/dbraw/zinc/60/60/02/570606002.db2.gz KHNSPXODPGJCPP-ZDUSSCGKSA-N 1 0 384.303 4.442 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040738655 570610692 /nfs/dbraw/zinc/61/06/92/570610692.db2.gz KTIICGQOXLZRKB-UHFFFAOYSA-N 1 0 390.886 4.160 50 0 GIAARO COCCC[NH2+]Cc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000040739305 570611020 /nfs/dbraw/zinc/61/10/20/570611020.db2.gz VCFJXFBORZIVEZ-UHFFFAOYSA-N 1 0 378.310 4.463 50 0 GIAARO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741822 570611590 /nfs/dbraw/zinc/61/15/90/570611590.db2.gz OHACEBBXOHEHFH-UHFFFAOYSA-N 1 0 377.912 4.487 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1c(Cl)cccc1Cl ZINC000040744004 570613582 /nfs/dbraw/zinc/61/35/82/570613582.db2.gz GOZIXWFJTGFMAR-ZDUSSCGKSA-N 1 0 384.303 4.442 50 0 GIAARO Brc1ccc2c(ccc(OC[C@@H]3CC[NH2+]C3)c2Br)c1 ZINC000042770347 570622208 /nfs/dbraw/zinc/62/22/08/570622208.db2.gz XBZLVIFBFPIOTD-SNVBAGLBSA-N 1 0 385.099 4.353 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000012195733 570622981 /nfs/dbraw/zinc/62/29/81/570622981.db2.gz WAXNAQBEXPOEBH-UHFFFAOYSA-N 1 0 388.515 4.405 50 0 GIAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012197097 570623372 /nfs/dbraw/zinc/62/33/72/570623372.db2.gz ROQRONMEBGLGPG-IBGZPJMESA-N 1 0 383.488 4.197 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl ZINC000036341048 570625324 /nfs/dbraw/zinc/62/53/24/570625324.db2.gz HVYJNVLLMHGEIT-NRFANRHFSA-N 1 0 399.922 4.368 50 0 GIAARO Cc1nc2ccc(NC(=O)N3CCC[N@H+](Cc4cccs4)CC3)cc2s1 ZINC000043375472 570627506 /nfs/dbraw/zinc/62/75/06/570627506.db2.gz DPDOYKRJIAAVGZ-UHFFFAOYSA-N 1 0 386.546 4.406 50 0 GIAARO Cc1nc([C@@H](C)[NH2+]C2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)cs1 ZINC000012243895 570630555 /nfs/dbraw/zinc/63/05/55/570630555.db2.gz JFVOOZFGHMXRIF-CQSZACIVSA-N 1 0 384.549 4.120 50 0 GIAARO Cc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000044137426 570632044 /nfs/dbraw/zinc/63/20/44/570632044.db2.gz NHQZWDCNEJJOGT-FGZHOGPDSA-N 1 0 394.540 4.331 50 0 GIAARO CCC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000044854824 570636760 /nfs/dbraw/zinc/63/67/60/570636760.db2.gz ZDLNSPCPZBLEAO-FQEVSTJZSA-N 1 0 399.922 4.338 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2cc(F)ccc2-n2cccn2)cnn1-c1ccccc1 ZINC000012303544 570637471 /nfs/dbraw/zinc/63/74/71/570637471.db2.gz NZLLROQIVANOJR-MRXNPFEDSA-N 1 0 375.451 4.356 50 0 GIAARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000012306480 570639134 /nfs/dbraw/zinc/63/91/34/570639134.db2.gz URHPYQXCXXUSFX-MRXNPFEDSA-N 1 0 380.463 4.421 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000012315307 570640732 /nfs/dbraw/zinc/64/07/32/570640732.db2.gz UARAOQUVHOIDFC-DEOSSOPVSA-N 1 0 393.506 4.043 50 0 GIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012317273 570641595 /nfs/dbraw/zinc/64/15/95/570641595.db2.gz RBLAPTFMJKPOMM-NRFANRHFSA-N 1 0 388.515 4.360 50 0 GIAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000044936265 570644289 /nfs/dbraw/zinc/64/42/89/570644289.db2.gz KXHJFOWGSMJTKA-QHCPKHFHSA-N 1 0 380.532 4.483 50 0 GIAARO CCC[NH+]1CCN(C(=O)C2(c3ccc(NC(=O)C(C)C)cc3)CCCCC2)CC1 ZINC000065027504 570650667 /nfs/dbraw/zinc/65/06/67/570650667.db2.gz BRELVDLIUPXNSF-UHFFFAOYSA-N 1 0 399.579 4.037 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cscn4)C3)C2)cc1 ZINC000012386243 570651481 /nfs/dbraw/zinc/65/14/81/570651481.db2.gz UINCNTKZQVBWCU-QFIPXVFZSA-N 1 0 383.561 4.395 50 0 GIAARO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1csc(-c2ccsc2)n1 ZINC000072314240 570654872 /nfs/dbraw/zinc/65/48/72/570654872.db2.gz KSBOUXUYMDIMRK-UHFFFAOYSA-N 1 0 399.541 4.081 50 0 GIAARO Cc1ccc(-c2n[nH]cc2CN(Cc2ccncc2)C2CC[NH+](C)CC2)cc1C ZINC000012446570 570666889 /nfs/dbraw/zinc/66/68/89/570666889.db2.gz DDIJMDXOXHYUKJ-UHFFFAOYSA-N 1 0 389.547 4.185 50 0 GIAARO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)o2)c1 ZINC000036392724 570677142 /nfs/dbraw/zinc/67/71/42/570677142.db2.gz RJNZOEHTMMEVHE-HKUYNNGSSA-N 1 0 390.487 4.457 50 0 GIAARO CC[C@H](CO)[N@H+](Cc1c(C)nc2ccc(Cl)cn21)Cc1ccc(F)cc1 ZINC000055091070 570682609 /nfs/dbraw/zinc/68/26/09/570682609.db2.gz UJQVBCVGQUTGQS-GOSISDBHSA-N 1 0 375.875 4.208 50 0 GIAARO CN(C(=O)c1cc2sccc2[nH]1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012585322 570685066 /nfs/dbraw/zinc/68/50/66/570685066.db2.gz MGMZXVGRERRBBF-GOSISDBHSA-N 1 0 381.545 4.399 50 0 GIAARO COc1ccc(F)c(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c1OC ZINC000240707809 570685497 /nfs/dbraw/zinc/68/54/97/570685497.db2.gz HQQSBFADCPSRFB-UHFFFAOYSA-N 1 0 385.439 4.279 50 0 GIAARO Cc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c1 ZINC000055167205 570685637 /nfs/dbraw/zinc/68/56/37/570685637.db2.gz UGAWRNACLJAHOW-JOCHJYFZSA-N 1 0 397.950 4.075 50 0 GIAARO COc1ccc2c(c1NC(=O)N(C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000242273687 570689019 /nfs/dbraw/zinc/68/90/19/570689019.db2.gz YEZJGXSYVWUQJH-LJQANCHMSA-N 1 0 393.531 4.170 50 0 GIAARO C[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@@H]1COc2ccccc2O1 ZINC000055307294 570690857 /nfs/dbraw/zinc/69/08/57/570690857.db2.gz NFHOIWARLXPZPD-QGZVFWFLSA-N 1 0 375.428 4.095 50 0 GIAARO CCCOc1ccccc1[C@H](C)[NH2+]Cc1c(C)n(CC(N)=O)c2ccccc12 ZINC000055370128 570693159 /nfs/dbraw/zinc/69/31/59/570693159.db2.gz ZWIUUOGZZBXUKI-INIZCTEOSA-N 1 0 379.504 4.075 50 0 GIAARO C[NH+](C)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(F)cc2s1 ZINC000004359164 570699544 /nfs/dbraw/zinc/69/95/44/570699544.db2.gz ASLVZTFHSDBPEW-SOFGYWHQSA-N 1 0 375.494 4.105 50 0 GIAARO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000060369974 570703129 /nfs/dbraw/zinc/70/31/29/570703129.db2.gz GSZUWQNNBHFIIU-IBGZPJMESA-N 1 0 389.499 4.406 50 0 GIAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2c(cc(F)cc2F)s1 ZINC000004359505 570705737 /nfs/dbraw/zinc/70/57/37/570705737.db2.gz AWVOCJBDZLSOND-UHFFFAOYSA-N 1 0 379.432 4.156 50 0 GIAARO Clc1ccc(CN2CCC([NH2+]Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000057995282 570705815 /nfs/dbraw/zinc/70/58/15/570705815.db2.gz VGNRWEDMGGEXRK-UHFFFAOYSA-N 1 0 380.923 4.280 50 0 GIAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012744134 570707700 /nfs/dbraw/zinc/70/77/00/570707700.db2.gz BBNPKIHIVHVPHG-GOSISDBHSA-N 1 0 387.907 4.114 50 0 GIAARO O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000006936213 570714630 /nfs/dbraw/zinc/71/46/30/570714630.db2.gz WLYLYKAISWXRNZ-OAQYLSRUSA-N 1 0 395.886 4.101 50 0 GIAARO COc1ccc(CC[NH2+]Cc2nn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000247896858 570717194 /nfs/dbraw/zinc/71/71/94/570717194.db2.gz DCFQXGQPTAJVEU-UHFFFAOYSA-N 1 0 398.510 4.334 50 0 GIAARO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000036477450 570720730 /nfs/dbraw/zinc/72/07/30/570720730.db2.gz UXDGSJYPNOOYCA-XMSQKQJNSA-N 1 0 383.488 4.275 50 0 GIAARO Cc1ccccc1Cn1nc(C[NH2+]CCCOC(C)C)c(-c2ccccc2)n1 ZINC000248130397 570720943 /nfs/dbraw/zinc/72/09/43/570720943.db2.gz ALSRBLBKWKZRQX-UHFFFAOYSA-N 1 0 378.520 4.207 50 0 GIAARO CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)nc2ccccc21 ZINC000248160767 570721770 /nfs/dbraw/zinc/72/17/70/570721770.db2.gz LBJQNKBKVFPLLX-SFHVURJKSA-N 1 0 376.504 4.468 50 0 GIAARO C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058423532 570732513 /nfs/dbraw/zinc/73/25/13/570732513.db2.gz OEEBBNCYWSPAPE-OAHLLOKOSA-N 1 0 390.886 4.027 50 0 GIAARO Clc1ccc(Cn2cc(C[NH2+]CCCN3CCOCC3)c3ccccc32)cc1 ZINC000253493758 570733073 /nfs/dbraw/zinc/73/30/73/570733073.db2.gz VFXJROGRONRGAF-UHFFFAOYSA-N 1 0 397.950 4.155 50 0 GIAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000058445839 570734092 /nfs/dbraw/zinc/73/40/92/570734092.db2.gz LRRQTUSQZIUAFZ-ROUUACIJSA-N 1 0 379.287 4.442 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(N(C)Cc3ccccc3)nc2)no1 ZINC000065216365 570734459 /nfs/dbraw/zinc/73/44/59/570734459.db2.gz AOEQVWDGQZHLQJ-QGZVFWFLSA-N 1 0 377.492 4.142 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)C[N@H+](C)C1CCCCC1)C[C@@H](C)CC2 ZINC000000955168 570737483 /nfs/dbraw/zinc/73/74/83/570737483.db2.gz JDMHAFMFARYOAH-AWEZNQCLSA-N 1 0 392.565 4.253 50 0 GIAARO CC[N@@H+]1CCC[C@@](C(=O)NCc2ccc(SC)cc2)(c2ccccc2)CC1 ZINC000065226081 570739075 /nfs/dbraw/zinc/73/90/75/570739075.db2.gz XHNIOIJNONWTCF-QHCPKHFHSA-N 1 0 382.573 4.469 50 0 GIAARO Cc1ccc(-n2cc(C[N@H+](C)CCn3ccnc3)c(-c3cccc(C)c3)n2)cc1 ZINC000059807800 570739303 /nfs/dbraw/zinc/73/93/03/570739303.db2.gz GPDJXTIUFAZPRH-UHFFFAOYSA-N 1 0 385.515 4.485 50 0 GIAARO O=C(NCCC[NH+]1CCCCCC1)c1sc2ncccc2c1-n1cccc1 ZINC000033059847 570746908 /nfs/dbraw/zinc/74/69/08/570746908.db2.gz VWLRHIMXIHMGDR-UHFFFAOYSA-N 1 0 382.533 4.083 50 0 GIAARO CCOc1ccc(NC(=O)N2CCC([N@@H+]3CCC[C@H]3CSCC)CC2)cc1 ZINC000206792792 570752750 /nfs/dbraw/zinc/75/27/50/570752750.db2.gz ZXBJBROOZVUYAN-IBGZPJMESA-N 1 0 391.581 4.299 50 0 GIAARO C/C(=C\c1ccco1)C[NH+]1CCC(c2cc(=O)[nH]c(Cc3ccccc3)n2)CC1 ZINC000063871904 570752809 /nfs/dbraw/zinc/75/28/09/570752809.db2.gz WNGNIRAIEMJYDG-NBVRZTHBSA-N 1 0 389.499 4.237 50 0 GIAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068900 570758347 /nfs/dbraw/zinc/75/83/47/570758347.db2.gz KPJICIWPCLLESN-UHFFFAOYSA-N 1 0 385.508 4.186 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)c1oc2ccccc2c1C)[NH+]1CCCC1 ZINC000032721287 570761345 /nfs/dbraw/zinc/76/13/45/570761345.db2.gz KKYIXNFCQMIOGD-IBGZPJMESA-N 1 0 378.472 4.317 50 0 GIAARO C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000007050218 570764577 /nfs/dbraw/zinc/76/45/77/570764577.db2.gz RTMXHPPOTPKCPR-MRXNPFEDSA-N 1 0 383.517 4.209 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 ZINC000021960304 570775772 /nfs/dbraw/zinc/77/57/72/570775772.db2.gz XDFILNWZMXZAQQ-UHFFFAOYSA-N 1 0 394.544 4.307 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccc(F)c1 ZINC000032730483 570776700 /nfs/dbraw/zinc/77/67/00/570776700.db2.gz SMFJWQMTTPGSDV-GOSISDBHSA-N 1 0 387.842 4.167 50 0 GIAARO CCN1C[C@@H](C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)Oc2ccccc21 ZINC000032797326 570819461 /nfs/dbraw/zinc/81/94/61/570819461.db2.gz UMYBKGIJJJUCGY-LJQANCHMSA-N 1 0 392.499 4.129 50 0 GIAARO O[C@H](C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1C(F)(F)F ZINC000060464671 570820454 /nfs/dbraw/zinc/82/04/54/570820454.db2.gz PDSZLINTMWCZLB-ZWKOTPCHSA-N 1 0 393.405 4.347 50 0 GIAARO O=C(CCC1CC[NH+](C2CCSCC2)CC1)NCc1cccc(Cl)c1 ZINC000012468784 570820554 /nfs/dbraw/zinc/82/05/54/570820554.db2.gz RDORWHDXLHLPGP-UHFFFAOYSA-N 1 0 380.985 4.344 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCc2nc3ccccc3s2)CC1 ZINC000012523281 570829817 /nfs/dbraw/zinc/82/98/17/570829817.db2.gz KKGYXJPXIVELMD-UHFFFAOYSA-N 1 0 394.544 4.010 50 0 GIAARO CC(C)c1ccc(-c2c(=O)c(=O)c2NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101972162 570840046 /nfs/dbraw/zinc/84/00/46/570840046.db2.gz CVCQVWAEOOFIHE-UHFFFAOYSA-N 1 0 388.511 4.150 50 0 GIAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037210499 570848367 /nfs/dbraw/zinc/84/83/67/570848367.db2.gz OJVAHXPXYVPUPS-IRXDYDNUSA-N 1 0 375.472 4.090 50 0 GIAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000170613542 570871909 /nfs/dbraw/zinc/87/19/09/570871909.db2.gz KBACKDWBFWWHPL-JPYJTQIMSA-N 1 0 379.548 4.431 50 0 GIAARO c1ccc(CC[NH+](CCc2ccccc2)Cc2nc(-c3ccccn3)no2)cc1 ZINC000032891620 570889289 /nfs/dbraw/zinc/88/92/89/570889289.db2.gz AALVCDDWCVMYQI-UHFFFAOYSA-N 1 0 384.483 4.419 50 0 GIAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000159098551 570893087 /nfs/dbraw/zinc/89/30/87/570893087.db2.gz TUBDUJHQTMQZBW-CYBMUJFWSA-N 1 0 394.302 4.252 50 0 GIAARO Nc1cc[nH+]c2c1cccc2-c1cccc(C(=O)NCCCC[C@H]2CCCO2)c1 ZINC000534587890 570905258 /nfs/dbraw/zinc/90/52/58/570905258.db2.gz PBYNYMHFGCIIRV-IBGZPJMESA-N 1 0 389.499 4.393 50 0 GIAARO CCC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982559 570911205 /nfs/dbraw/zinc/91/12/05/570911205.db2.gz WBJWSQVNPYVVHY-LEWJYISDSA-N 1 0 386.923 4.496 50 0 GIAARO CCOc1ccc(-[n+]2c(-c3ccc4c(c3)OCCO4)cn3c2CCCCC3)cc1 ZINC000016852103 570915369 /nfs/dbraw/zinc/91/53/69/570915369.db2.gz LGPCAMHDWQLQMJ-UHFFFAOYSA-N 1 0 391.491 4.328 50 0 GIAARO CC(C)c1noc(CCCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000046935467 570937420 /nfs/dbraw/zinc/93/74/20/570937420.db2.gz CNQPKHFUWAMPFK-GOSISDBHSA-N 1 0 398.551 4.064 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc(F)ccc2Br)C1 ZINC000047039195 570939260 /nfs/dbraw/zinc/93/92/60/570939260.db2.gz FJQFNBYMQRKFGT-OKILXGFUSA-N 1 0 385.321 4.076 50 0 GIAARO Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000170639794 570942844 /nfs/dbraw/zinc/94/28/44/570942844.db2.gz GNCUKIFWBDMVKX-UHFFFAOYSA-N 1 0 393.531 4.130 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2COc2ccccc2)C1 ZINC000032936014 570948277 /nfs/dbraw/zinc/94/82/77/570948277.db2.gz YPUQUZSUZOEZHE-WOJBJXKFSA-N 1 0 380.532 4.363 50 0 GIAARO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000106149846 570948588 /nfs/dbraw/zinc/94/85/88/570948588.db2.gz HAIRCOFRSFMERV-BMFAXAFESA-N 1 0 378.944 4.280 50 0 GIAARO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)Cc1ccc(C)cc1C ZINC000007592980 570950315 /nfs/dbraw/zinc/95/03/15/570950315.db2.gz SOISGQIIIRKKIZ-UHFFFAOYSA-N 1 0 390.531 4.485 50 0 GIAARO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000047262064 570950404 /nfs/dbraw/zinc/95/04/04/570950404.db2.gz UIZPTGQFIBAUSR-KRWDZBQOSA-N 1 0 380.879 4.134 50 0 GIAARO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000248376924 570965856 /nfs/dbraw/zinc/96/58/56/570965856.db2.gz FBIFVVKCXXEIGT-RXVVDRJESA-N 1 0 394.515 4.089 50 0 GIAARO CN1CC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000107544197 570974231 /nfs/dbraw/zinc/97/42/31/570974231.db2.gz KOLRKWMEMGXTJV-IAGOWNOFSA-N 1 0 385.241 4.447 50 0 GIAARO CCC[NH+](CCC)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000027270626 570982441 /nfs/dbraw/zinc/98/24/41/570982441.db2.gz GHNUKCPWAFHXBZ-UHFFFAOYSA-N 1 0 384.520 4.031 50 0 GIAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C)[C@@H]2c2cccc(Cl)c2)C[C@H]1C ZINC000252513170 570982844 /nfs/dbraw/zinc/98/28/44/570982844.db2.gz XTGAMMLNBCQPQQ-CRSFFPMXSA-N 1 0 392.971 4.290 50 0 GIAARO COc1ccc(NC(=S)N2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000004785228 570988837 /nfs/dbraw/zinc/98/88/37/570988837.db2.gz FBALGLJXCBVJLF-UHFFFAOYSA-N 1 0 389.952 4.253 50 0 GIAARO O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000007686537 571016278 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GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1ccc(Br)cc1 ZINC000007945815 817966306 /nfs/dbraw/zinc/96/63/06/817966306.db2.gz XAVTYQCUBSDGCD-UHFFFAOYSA-N 1 0 389.337 4.150 50 0 GIAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000057455937 823299248 /nfs/dbraw/zinc/29/92/48/823299248.db2.gz XBIANOJYTYWWJD-QFIPXVFZSA-N 1 0 399.922 4.392 50 0 GIAARO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)=O)c1ccc(Br)cc1 ZINC000057460474 823299505 /nfs/dbraw/zinc/29/95/05/823299505.db2.gz LEPBBRNVYXPXDL-KRWDZBQOSA-N 1 0 389.293 4.331 50 0 GIAARO Cc1ccc(C(=O)CCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000007983918 817975646 /nfs/dbraw/zinc/97/56/46/817975646.db2.gz WVQORQXMJKRBEK-UHFFFAOYSA-N 1 0 376.566 4.324 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000008262373 818026203 /nfs/dbraw/zinc/02/62/03/818026203.db2.gz KJRDIKRIJPDFGK-UNMCSNQZSA-N 1 0 384.545 4.115 50 0 GIAARO Cn1cc(C[N@H+](C)CCc2cn[nH]c2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000011765813 818118061 /nfs/dbraw/zinc/11/80/61/818118061.db2.gz CBZHMAQBQSTSMJ-UHFFFAOYSA-N 1 0 387.487 4.277 50 0 GIAARO COCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)s1 ZINC000011763357 818118127 /nfs/dbraw/zinc/11/81/27/818118127.db2.gz KRJVBYNTHOYFAN-QHCPKHFHSA-N 1 0 398.572 4.331 50 0 GIAARO Cc1cc(CN(C)C(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)on1 ZINC000011843406 818125592 /nfs/dbraw/zinc/12/55/92/818125592.db2.gz NGYVPVZEBWHPOL-UHFFFAOYSA-N 1 0 399.535 4.145 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000011878350 818126506 /nfs/dbraw/zinc/12/65/06/818126506.db2.gz INMTUVSZISSIMV-IBGZPJMESA-N 1 0 399.510 4.253 50 0 GIAARO O=C(Cc1cccs1)N1CC[C@H]2[C@H](CCC[N@@H+]2CCCc2ccccc2)C1 ZINC000011998432 818135514 /nfs/dbraw/zinc/13/55/14/818135514.db2.gz LMRJOOKPEULNRG-IRLDBZIGSA-N 1 0 382.573 4.236 50 0 GIAARO O=C(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000011999273 818136045 /nfs/dbraw/zinc/13/60/45/818136045.db2.gz CFXFMJGUVJBUQF-NRFANRHFSA-N 1 0 394.946 4.120 50 0 GIAARO C[C@@H](C[NH2+]Cc1cc2cc3c(cc2nc1N1CCCC1)OCO3)c1ccccc1 ZINC000012192254 818145926 /nfs/dbraw/zinc/14/59/26/818145926.db2.gz LARLAADTFNVREN-KRWDZBQOSA-N 1 0 389.499 4.457 50 0 GIAARO Cc1ccc(O)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c1 ZINC000012201791 818146651 /nfs/dbraw/zinc/14/66/51/818146651.db2.gz DMQKMETWZNDIPH-VWLOTQADSA-N 1 0 392.543 4.262 50 0 GIAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCCC[C@@H]3CCCO)ccc2c1 ZINC000012302883 818153638 /nfs/dbraw/zinc/15/36/38/818153638.db2.gz NBMWERYCOMGFOA-OAQYLSRUSA-N 1 0 379.504 4.366 50 0 GIAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCCCCCC1 ZINC000012430865 818158695 /nfs/dbraw/zinc/15/86/95/818158695.db2.gz WCBJMZIHKIGWPX-HSZRJFAPSA-N 1 0 397.607 4.156 50 0 GIAARO Cc1nn(C(C)C)c(C)c1C[N@H+](CCc1ccccc1)C[C@@H]1CCCN(C)C1 ZINC000012429245 818158785 /nfs/dbraw/zinc/15/87/85/818158785.db2.gz FRRSNTOABUHAPZ-HSZRJFAPSA-N 1 0 382.596 4.467 50 0 GIAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)NCc1cccnc1 ZINC000012435433 818159305 /nfs/dbraw/zinc/15/93/05/818159305.db2.gz AAWDIEOEYZYFEX-UHFFFAOYSA-N 1 0 377.488 4.136 50 0 GIAARO CSC[C@H](C)[NH+]1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 ZINC000012455606 818161116 /nfs/dbraw/zinc/16/11/16/818161116.db2.gz QTXLOAOCPJOSCW-AWEZNQCLSA-N 1 0 399.000 4.463 50 0 GIAARO COC[C@H]1CC[N@H+](Cc2cn(-c3ccc(OC)cc3)nc2-c2cccc(F)c2)C1 ZINC000012579197 818167852 /nfs/dbraw/zinc/16/78/52/818167852.db2.gz KDOSTDGASPOIMS-KRWDZBQOSA-N 1 0 395.478 4.155 50 0 GIAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000012597224 818169888 /nfs/dbraw/zinc/16/98/88/818169888.db2.gz OUFVZWLGDJVWHK-SFHVURJKSA-N 1 0 394.519 4.137 50 0 GIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccccc2F)CC1 ZINC000012712626 818177472 /nfs/dbraw/zinc/17/74/72/818177472.db2.gz LJSDMVCXKXRJRD-UHFFFAOYSA-N 1 0 385.479 4.222 50 0 GIAARO CCSc1ncc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cn1 ZINC000014951033 818278814 /nfs/dbraw/zinc/27/88/14/818278814.db2.gz AUYGRKMUALZSCT-HSZRJFAPSA-N 1 0 396.604 4.385 50 0 GIAARO COc1ccccc1C[C@@H](C)[N@H+]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000014968372 818279738 /nfs/dbraw/zinc/27/97/38/818279738.db2.gz YVTRQVBQWVOJAU-QGZVFWFLSA-N 1 0 386.923 4.014 50 0 GIAARO CC(C)=CCC[C@H](C)[N@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014965563 818279855 /nfs/dbraw/zinc/27/98/55/818279855.db2.gz XQWSPKRNWWKYHD-INIZCTEOSA-N 1 0 392.927 4.238 50 0 GIAARO Fc1ccccc1-c1noc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)n1 ZINC000189022224 823343134 /nfs/dbraw/zinc/34/31/34/823343134.db2.gz WPHCHVOXRMQIDU-UHFFFAOYSA-N 1 0 381.451 4.305 50 0 GIAARO COCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)o1 ZINC000019773679 818605090 /nfs/dbraw/zinc/60/50/90/818605090.db2.gz QACBWRADOTZUPE-AWEZNQCLSA-N 1 0 387.430 4.474 50 0 GIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC(C)C)ccc3n2)CC1 ZINC000020153615 818615371 /nfs/dbraw/zinc/61/53/71/818615371.db2.gz RMVLILPKXDZTKW-UHFFFAOYSA-N 1 0 399.608 4.018 50 0 GIAARO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCc3[nH]nc(-c4ccccc4F)c3C1)CC2 ZINC000020455085 818622296 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GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2)cc1)c1cccc(F)c1 ZINC000032245990 820904964 /nfs/dbraw/zinc/90/49/64/820904964.db2.gz JBSSTANGTKRUAC-HSZRJFAPSA-N 1 0 392.474 4.437 50 0 GIAARO CC[C@@H](CNC(=O)c1ccccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000032447329 820946814 /nfs/dbraw/zinc/94/68/14/820946814.db2.gz OOIFALWSYRGTBX-KRWDZBQOSA-N 1 0 376.422 4.272 50 0 GIAARO COc1cccc(C2=NN(C(=O)C[N@H+](C)C(C)C)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341063 821071213 /nfs/dbraw/zinc/07/12/13/821071213.db2.gz UONHHGLGIJGGOE-OAQYLSRUSA-N 1 0 399.922 4.367 50 0 GIAARO O=C(NCc1ccc(Cl)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038489617 821097042 /nfs/dbraw/zinc/09/70/42/821097042.db2.gz PTUYPPBBSBGIAH-UHFFFAOYSA-N 1 0 377.941 4.113 50 0 GIAARO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000040088354 821134025 /nfs/dbraw/zinc/13/40/25/821134025.db2.gz OGXIWGTYMOKKRW-UHFFFAOYSA-N 1 0 380.536 4.027 50 0 GIAARO Cc1ccc([C@](O)(CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C(F)(F)F)o1 ZINC000040088628 821134201 /nfs/dbraw/zinc/13/42/01/821134201.db2.gz GJEHUXBGOCWKGD-OAHLLOKOSA-N 1 0 397.315 4.416 50 0 GIAARO COc1cccc([C@@H](CNC(=O)c2sc(C(C)C)nc2C)[NH+]2CCCC2)c1 ZINC000040093799 821135770 /nfs/dbraw/zinc/13/57/70/821135770.db2.gz BRQMIMOMTFLMTB-GOSISDBHSA-N 1 0 387.549 4.150 50 0 GIAARO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)n1cnc2ccccc21 ZINC000040112298 821140227 /nfs/dbraw/zinc/14/02/27/821140227.db2.gz BKSKKYZKRVDZJK-RBUKOAKNSA-N 1 0 390.531 4.146 50 0 GIAARO CC(C)(C)C(=O)N1CCC(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000181734401 821967276 /nfs/dbraw/zinc/96/72/76/821967276.db2.gz VBYXEALXZLDLQH-QFIPXVFZSA-N 1 0 386.580 4.033 50 0 GIAARO C[NH2+]C[C@@H]1CCN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1 ZINC000179007362 822429249 /nfs/dbraw/zinc/42/92/49/822429249.db2.gz MGVROLMUPLZFJG-VIFPVBQESA-N 1 0 376.831 4.255 50 0 GIAARO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000054839733 822917247 /nfs/dbraw/zinc/91/72/47/822917247.db2.gz QINDWEULTAYVEE-KRWDZBQOSA-N 1 0 398.576 4.449 50 0 GIAARO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC)cc1)[NH2+]C2 ZINC000055028124 822932304 /nfs/dbraw/zinc/93/23/04/822932304.db2.gz UGUYYNKNGIVOOY-QHCPKHFHSA-N 1 0 378.472 4.476 50 0 GIAARO COc1ccccc1-c1csc(C2CC[NH+]([C@@H]3CCN(C(C)C)C3=O)CC2)n1 ZINC000191515365 823694234 /nfs/dbraw/zinc/69/42/34/823694234.db2.gz VDBDGRPYQWNJFG-LJQANCHMSA-N 1 0 399.560 4.007 50 0 GIAARO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CCc2ccccc2NC1=O ZINC000191980647 823830820 /nfs/dbraw/zinc/83/08/20/823830820.db2.gz PCKGFHFALCZYEC-QFIPXVFZSA-N 1 0 375.472 4.160 50 0 GIAARO Cc1c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cccc1-c1ccccn1 ZINC000165490194 823850864 /nfs/dbraw/zinc/85/08/64/823850864.db2.gz RTZYGIALDCZVQF-UHFFFAOYSA-N 1 0 389.499 4.387 50 0 GIAARO O=C(NC1CCCCC1)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000169760712 823912834 /nfs/dbraw/zinc/91/28/34/823912834.db2.gz XEXFWCWJCIZOHM-UHFFFAOYSA-N 1 0 399.579 4.174 50 0 GIAARO c1ccc(-c2nc(-c3ccc(O[C@@H]4CC[N@@H+](Cc5ccncc5)C4)cc3)no2)cc1 ZINC000575313276 823952539 /nfs/dbraw/zinc/95/25/39/823952539.db2.gz FLACMTOVSKHSHC-JOCHJYFZSA-N 1 0 398.466 4.452 50 0 GIAARO Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCCN(C(=O)NCc2ccc(F)cc2)C1 ZINC000575547411 823975373 /nfs/dbraw/zinc/97/53/73/823975373.db2.gz BBFBNYQNMPNPIV-SFHVURJKSA-N 1 0 384.499 4.220 50 0 GIAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000575551568 823977288 /nfs/dbraw/zinc/97/72/88/823977288.db2.gz WSCYLMVWDDFIPP-UHFFFAOYSA-N 1 0 376.504 4.347 50 0 GIAARO CC1(C)C[C@@]2(CCCN(CC[N@@H+]3CCC[C@]4(CCOC(C)(C)C4)C3)C2)CCO1 ZINC000019367981 210244668 /nfs/dbraw/zinc/24/46/68/210244668.db2.gz VOSHMDSOMREFNT-DNQXCXABSA-N 1 0 392.628 4.329 50 0 GIAARO C[C@H](c1cccc(-c2nc(N(C)C)n(Cc3ccccc3)n2)c1)[NH+]1CCCC1 ZINC000426529277 231235650 /nfs/dbraw/zinc/23/56/50/231235650.db2.gz LDOHEFIUBFUTFR-GOSISDBHSA-N 1 0 375.520 4.216 50 0 GIAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccnc1 ZINC000019200304 210228494 /nfs/dbraw/zinc/22/84/94/210228494.db2.gz PORXPXAKLCYJJU-FQEVSTJZSA-N 1 0 398.890 4.146 50 0 GIAARO Fc1cccc(-c2ccc(N3CCC([NH2+]Cc4[nH]nc5c4CCC5)CC3)cc2)c1 ZINC000019110826 210226369 /nfs/dbraw/zinc/22/63/69/210226369.db2.gz FRMOHVVUZGJKGZ-UHFFFAOYSA-N 1 0 390.506 4.463 50 0 GIAARO CC(C)[NH+]1CCN(C(=O)C[C@@H](c2cccc(O)c2)c2ccccc2Cl)CC1 ZINC000019112236 210225360 /nfs/dbraw/zinc/22/53/60/210225360.db2.gz MBIAXUSUQRVQEU-FQEVSTJZSA-N 1 0 386.923 4.120 50 0 GIAARO Cc1cccc(-n2ncc(C(=O)Nc3ccc(C)c(F)c3)c2C2CC[NH2+]CC2)c1 ZINC000015772757 210167799 /nfs/dbraw/zinc/16/77/99/210167799.db2.gz JOJKZDKFZKCHRC-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO O=C(Nc1ccc(Cl)cc1)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015726980 210164639 /nfs/dbraw/zinc/16/46/39/210164639.db2.gz RMSFPZYZGXNOCD-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO CCc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)cc1 ZINC000015726989 210163687 /nfs/dbraw/zinc/16/36/87/210163687.db2.gz GTQHQRFFLXBYGE-UHFFFAOYSA-N 1 0 392.478 4.293 50 0 GIAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](C2CCC2)CC1)N1CCCCC1 ZINC000015074678 210151115 /nfs/dbraw/zinc/15/11/15/210151115.db2.gz BPEHBLMLYZEFBC-UHFFFAOYSA-N 1 0 376.928 4.362 50 0 GIAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)cc1C ZINC000015068550 210149045 /nfs/dbraw/zinc/14/90/45/210149045.db2.gz FLRQJZRKQGFKMG-KRWDZBQOSA-N 1 0 381.472 4.136 50 0 GIAARO C[C@H](CNC(=O)C1CCCCC1)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000015072201 210147940 /nfs/dbraw/zinc/14/79/40/210147940.db2.gz AUGPJLGKBFLNHP-GOSISDBHSA-N 1 0 384.520 4.375 50 0 GIAARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000015066953 210147847 /nfs/dbraw/zinc/14/78/47/210147847.db2.gz NLCNLQRCXGNIJG-GOSISDBHSA-N 1 0 393.462 4.115 50 0 GIAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)c1 ZINC000014986476 210140709 /nfs/dbraw/zinc/14/07/09/210140709.db2.gz COUWCGVTYWITPG-IBGZPJMESA-N 1 0 375.472 4.493 50 0 GIAARO CC1(C)CCC[C@H]([NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)C1 ZINC000014974643 210138526 /nfs/dbraw/zinc/13/85/26/210138526.db2.gz VLUISJZHPNHDDW-IBGZPJMESA-N 1 0 381.524 4.136 50 0 GIAARO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1F ZINC000014957439 210133925 /nfs/dbraw/zinc/13/39/25/210133925.db2.gz AJUZKPSQZKTMAS-HXUWFJFHSA-N 1 0 384.495 4.004 50 0 GIAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccc3ccccc31)C(=O)N2CC ZINC000014755911 210126883 /nfs/dbraw/zinc/12/68/83/210126883.db2.gz UYYDBHATQVZKJV-SFHVURJKSA-N 1 0 393.531 4.257 50 0 GIAARO CCOc1c(C[NH2+]CCc2ccccc2OC)cc(Br)cc1OC ZINC000013719357 210083007 /nfs/dbraw/zinc/08/30/07/210083007.db2.gz OLCNFZFVTLBEAN-UHFFFAOYSA-N 1 0 394.309 4.197 50 0 GIAARO O[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000013594838 210070880 /nfs/dbraw/zinc/07/08/80/210070880.db2.gz NZEIYLCDWYXLLI-NRFANRHFSA-N 1 0 387.483 4.301 50 0 GIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000013363950 210058422 /nfs/dbraw/zinc/05/84/22/210058422.db2.gz NBDGPZKRTQGDTF-UHFFFAOYSA-N 1 0 395.503 4.066 50 0 GIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)c(OC)c1 ZINC000013363872 210059778 /nfs/dbraw/zinc/05/97/78/210059778.db2.gz ZWXDUMITERIZHC-UHFFFAOYSA-N 1 0 397.519 4.046 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1F ZINC000012988336 210042220 /nfs/dbraw/zinc/04/22/20/210042220.db2.gz SOJAVJFIERHGKZ-UHFFFAOYSA-N 1 0 391.284 4.114 50 0 GIAARO O=C(COc1cccc(C(F)(F)F)c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012975159 210037622 /nfs/dbraw/zinc/03/76/22/210037622.db2.gz LGEWLFKICVZGBH-QGZVFWFLSA-N 1 0 396.409 4.021 50 0 GIAARO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000012864700 210020804 /nfs/dbraw/zinc/02/08/04/210020804.db2.gz BAFWSQRYIPPPKP-LBPRGKRZSA-N 1 0 382.382 4.012 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2ccccc2F)c1C)c1ccccc1 ZINC000012772606 210006965 /nfs/dbraw/zinc/00/69/65/210006965.db2.gz YZZOJCHSRBMFPU-JOCHJYFZSA-N 1 0 394.494 4.133 50 0 GIAARO CCc1ccc([C@@H](CNC(=O)CCCc2c[nH]c3ccccc23)[NH+](C)C)cc1 ZINC000012793588 210009595 /nfs/dbraw/zinc/00/95/95/210009595.db2.gz KVXLLMCOPDWISB-HSZRJFAPSA-N 1 0 377.532 4.472 50 0 GIAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)c1cn2cc(Cl)ccc2n1 ZINC000012324036 209942285 /nfs/dbraw/zinc/94/22/85/209942285.db2.gz CMPJMEVTVRLYBB-UHFFFAOYSA-N 1 0 396.922 4.020 50 0 GIAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1C1CCCCCCC1 ZINC000012000296 209897928 /nfs/dbraw/zinc/89/79/28/209897928.db2.gz IGHLKTKHFAERJG-HXUWFJFHSA-N 1 0 376.516 4.288 50 0 GIAARO Fc1ccccc1-n1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000011997114 209896695 /nfs/dbraw/zinc/89/66/95/209896695.db2.gz KFWJXWUYLIYJCH-OAQYLSRUSA-N 1 0 387.462 4.364 50 0 GIAARO CC(C)[NH+](CCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(C)C ZINC000011595356 209874890 /nfs/dbraw/zinc/87/48/90/209874890.db2.gz SXXNRRWMYYPXNV-UHFFFAOYSA-N 1 0 392.503 4.252 50 0 GIAARO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCc1ccccc1 ZINC000010814988 209867131 /nfs/dbraw/zinc/86/71/31/209867131.db2.gz BMBZKTKNWWGWRW-UHFFFAOYSA-N 1 0 396.531 4.313 50 0 GIAARO Cc1cccc2c1-c1sc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc1CO2 ZINC000005049984 209562636 /nfs/dbraw/zinc/56/26/36/209562636.db2.gz QBOFALRKAMDLKB-HNNXBMFYSA-N 1 0 384.545 4.468 50 0 GIAARO CCc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000004961485 209551333 /nfs/dbraw/zinc/55/13/33/209551333.db2.gz XUNBBMSICPUVOT-UHFFFAOYSA-N 1 0 392.478 4.293 50 0 GIAARO C[C@@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000002934070 209398394 /nfs/dbraw/zinc/39/83/94/209398394.db2.gz MJKZPYFFTIHZFA-AWEZNQCLSA-N 1 0 396.482 4.422 50 0 GIAARO O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000002503267 209368120 /nfs/dbraw/zinc/36/81/20/209368120.db2.gz LXUKCGHZRRLNRH-JOCHJYFZSA-N 1 0 389.524 4.264 50 0 GIAARO CCOc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2cccc(Cl)c2)cc1 ZINC000002385250 209360097 /nfs/dbraw/zinc/36/00/97/209360097.db2.gz ZWCYJUPRNBGFJX-JOCHJYFZSA-N 1 0 385.915 4.389 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCCCCC1)CCCC2 ZINC000001093170 209300147 /nfs/dbraw/zinc/30/01/47/209300147.db2.gz BQAPWXNJRCIRTB-UHFFFAOYSA-N 1 0 378.538 4.008 50 0 GIAARO O[C@H](c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000000897089 209277676 /nfs/dbraw/zinc/27/76/76/209277676.db2.gz XEEQGYMUWCZPDN-SWLSCSKDSA-N 1 0 378.316 4.448 50 0 fda GIAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cccnc2)cc1 ZINC000000856902 209273600 /nfs/dbraw/zinc/27/36/00/209273600.db2.gz ZMLYKCPPESQJOJ-UHFFFAOYSA-N 1 0 390.483 4.454 50 0 GIAARO CC(C)c1c(C[N@H+](C)[C@@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O ZINC000000643070 209253828 /nfs/dbraw/zinc/25/38/28/209253828.db2.gz GNUXVOXXWGNPIV-IBGZPJMESA-N 1 0 377.532 4.362 50 0 world GIAARO COc1ccc(C[C@H](C(=O)O[C@@H]2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000239306180 209213591 /nfs/dbraw/zinc/21/35/91/209213591.db2.gz GNHPJGJHBNDLTI-WKZKVMAPSA-N 1 0 381.516 4.436 50 0 GIAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccncc2)cs1 ZINC000004916223 212065055 /nfs/dbraw/zinc/06/50/55/212065055.db2.gz FUIKLHKXWWGMNL-MLGOLLRUSA-N 1 0 382.411 4.212 50 0 GIAARO COc1cccc(-c2cccc(C(=O)N3CCCC[C@H]3C[NH+]3CCCC3)c2)c1 ZINC000299776978 212034472 /nfs/dbraw/zinc/03/44/72/212034472.db2.gz MVFAAKJHJAWDDG-QFIPXVFZSA-N 1 0 378.516 4.453 50 0 GIAARO CC[NH+](CC)CC1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000058049650 211776638 /nfs/dbraw/zinc/77/66/38/211776638.db2.gz RGCOIMBHICVEOH-UHFFFAOYSA-N 1 0 399.560 4.194 50 0 GIAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000237383887 211472095 /nfs/dbraw/zinc/47/20/95/211472095.db2.gz ZKYDOAUGWKWADZ-CVEARBPZSA-N 1 0 393.462 4.347 50 0 GIAARO Cc1noc(C)c1CCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048310488 211453847 /nfs/dbraw/zinc/45/38/47/211453847.db2.gz CPFJBOPMCDSISM-IAGOWNOFSA-N 1 0 383.536 4.018 50 0 GIAARO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2ccc(Br)cc21 ZINC000098178554 211380033 /nfs/dbraw/zinc/38/00/33/211380033.db2.gz KAUMVFNCYJDTMG-UHFFFAOYSA-N 1 0 386.289 4.449 50 0 GIAARO C[C@@]1(c2ccccc2F)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000097162390 211360683 /nfs/dbraw/zinc/36/06/83/211360683.db2.gz XTLDGBCQDRMMJH-UNMCSNQZSA-N 1 0 386.898 4.404 50 0 GIAARO C[C@@]1(c2ccccc2F)C[C@H]1[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000097162392 211360597 /nfs/dbraw/zinc/36/05/97/211360597.db2.gz XTLDGBCQDRMMJH-IRLDBZIGSA-N 1 0 386.898 4.404 50 0 GIAARO C[C@H]([NH2+]C1(CNCc2cnc(C(C)(C)C)s2)CCOCC1)c1ccccc1 ZINC000097002589 211355254 /nfs/dbraw/zinc/35/52/54/211355254.db2.gz CXXTXCQEHUBZAK-KRWDZBQOSA-N 1 0 387.593 4.430 50 0 GIAARO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000097032744 211357395 /nfs/dbraw/zinc/35/73/95/211357395.db2.gz FVGIKUGUZIUWKZ-QFIPXVFZSA-N 1 0 377.488 4.288 50 0 GIAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000096343633 211336727 /nfs/dbraw/zinc/33/67/27/211336727.db2.gz KBACKDWBFWWHPL-WZONZLPQSA-N 1 0 379.548 4.431 50 0 GIAARO Cc1noc(C)c1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000096152828 211312132 /nfs/dbraw/zinc/31/21/32/211312132.db2.gz FDASFRDTKKACPM-NRFANRHFSA-N 1 0 393.531 4.052 50 0 GIAARO CCSC1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOCC1 ZINC000095961086 211289239 /nfs/dbraw/zinc/28/92/39/211289239.db2.gz ARMBKTZWMSSKOD-UHFFFAOYSA-N 1 0 398.366 4.117 50 0 GIAARO C[C@H]([NH2+]C1(CNC(=O)c2cc3c(s2)CCCC3)CCOCC1)c1ccccc1 ZINC000095959170 211287008 /nfs/dbraw/zinc/28/70/08/211287008.db2.gz PDSKWODPWDKXHQ-KRWDZBQOSA-N 1 0 398.572 4.257 50 0 GIAARO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)NCCc1nc2ccccc2s1 ZINC000095941408 211284550 /nfs/dbraw/zinc/28/45/50/211284550.db2.gz QUHANVLSAYSEBN-ZWKOTPCHSA-N 1 0 397.519 4.020 50 0 GIAARO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]CCCc1ccc(Cl)c(Cl)c1 ZINC000095940916 211284071 /nfs/dbraw/zinc/28/40/71/211284071.db2.gz BCEFIUONRGYNGJ-CQSZACIVSA-N 1 0 390.314 4.314 50 0 GIAARO Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000095530145 211275351 /nfs/dbraw/zinc/27/53/51/211275351.db2.gz JETJWFKFZSWCTN-LEWJYISDSA-N 1 0 389.499 4.128 50 0 GIAARO CCCC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095512243 211262316 /nfs/dbraw/zinc/26/23/16/211262316.db2.gz WIZHHPDWZFPVCZ-UHFFFAOYSA-N 1 0 379.548 4.431 50 0 GIAARO CCc1ccc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000095509248 211260794 /nfs/dbraw/zinc/26/07/94/211260794.db2.gz YEPUBIFPJVVKKN-UHFFFAOYSA-N 1 0 394.563 4.269 50 0 GIAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000095508962 211259513 /nfs/dbraw/zinc/25/95/13/211259513.db2.gz AROONRZAQXRQOF-UHFFFAOYSA-N 1 0 383.540 4.357 50 0 GIAARO CN([C@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457111 211242345 /nfs/dbraw/zinc/24/23/45/211242345.db2.gz KBYKVZKBTULHBK-QFIPXVFZSA-N 1 0 397.950 4.042 50 0 GIAARO CC[C@@H](O)C[NH+]1CCC(Nc2nc(C)nc3scc(-c4ccccc4)c32)CC1 ZINC000095443239 211241261 /nfs/dbraw/zinc/24/12/61/211241261.db2.gz PXEQFZWTONICAA-GOSISDBHSA-N 1 0 396.560 4.314 50 0 GIAARO Clc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cc1Cl ZINC000095384840 211235817 /nfs/dbraw/zinc/23/58/17/211235817.db2.gz QSJMOFARHLTQKP-FUHWJXTLSA-N 1 0 376.331 4.485 50 0 GIAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2csc(C(C)=O)c2)C3)cc1 ZINC000095386923 211234630 /nfs/dbraw/zinc/23/46/30/211234630.db2.gz CLPSRHXNPBMEEO-AZUAARDMSA-N 1 0 384.545 4.056 50 0 GIAARO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000095369380 211227901 /nfs/dbraw/zinc/22/79/01/211227901.db2.gz SAHHFZKASYJOHT-ZDUSSCGKSA-N 1 0 386.908 4.195 50 0 GIAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(C)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370605 211227011 /nfs/dbraw/zinc/22/70/11/211227011.db2.gz HVEZWYURUPLKLD-ICDZXHCJSA-N 1 0 392.543 4.074 50 0 GIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000091914629 211209513 /nfs/dbraw/zinc/20/95/13/211209513.db2.gz WWHIZWWCFJATNZ-OAQYLSRUSA-N 1 0 378.516 4.124 50 0 GIAARO O=C([O-])c1cccc([C@@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)c1 ZINC000095353966 211221122 /nfs/dbraw/zinc/22/11/22/211221122.db2.gz IBANPGIVKJYZKH-HXUWFJFHSA-N 1 0 384.545 4.422 50 0 GIAARO CCCC[C@@H](O)C[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101098 211219822 /nfs/dbraw/zinc/21/98/22/211219822.db2.gz HABYVBAVUIMNTN-HSZRJFAPSA-N 1 0 385.548 4.044 50 0 GIAARO CCCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)s1 ZINC000091656031 211201368 /nfs/dbraw/zinc/20/13/68/211201368.db2.gz SJYFQMRPKHFSPQ-PKOBYXMFSA-N 1 0 383.561 4.109 50 0 GIAARO CSc1cccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)c1 ZINC000091756057 211206263 /nfs/dbraw/zinc/20/62/63/211206263.db2.gz HIQFFBZFYCEJQO-UHFFFAOYSA-N 1 0 395.572 4.208 50 0 GIAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091426621 211191709 /nfs/dbraw/zinc/19/17/09/211191709.db2.gz ZFPULVDGZDZQGY-YBFXNURJSA-N 1 0 384.568 4.198 50 0 GIAARO CCC(CC)n1nccc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000089943221 211188249 /nfs/dbraw/zinc/18/82/49/211188249.db2.gz XHSNYMKUSJYKFD-JOCHJYFZSA-N 1 0 398.551 4.210 50 0 GIAARO CCN1CC2(CC[NH+](Cc3cccc(O)c3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091433762 211192851 /nfs/dbraw/zinc/19/28/51/211192851.db2.gz FAAYGHAIBUOXSU-JOCHJYFZSA-N 1 0 378.516 4.010 50 0 GIAARO O=C(c1ccc(Cl)c(F)c1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651582 211177839 /nfs/dbraw/zinc/17/78/39/211177839.db2.gz UZNWWABRUKXJBP-UHFFFAOYSA-N 1 0 389.854 4.049 50 0 GIAARO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc4cc(OC)ccc4c3)C2)c1 ZINC000089470176 211181721 /nfs/dbraw/zinc/18/17/21/211181721.db2.gz LJKMWWHHLAPFRT-IBGZPJMESA-N 1 0 376.500 4.473 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)[C@@H](C)CCO)cc1F ZINC000072418421 211116272 /nfs/dbraw/zinc/11/62/72/211116272.db2.gz ZGCOHJUNAQZMLF-KRWDZBQOSA-N 1 0 397.494 4.198 50 0 GIAARO O=C(c1ccc2[nH]ccc2c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000076961918 211127769 /nfs/dbraw/zinc/12/77/69/211127769.db2.gz RLUGSWUKZZIWJS-DEOSSOPVSA-N 1 0 391.490 4.435 50 0 GIAARO O=C(c1ccc2[nH]ccc2c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000076961921 211126214 /nfs/dbraw/zinc/12/62/14/211126214.db2.gz RLUGSWUKZZIWJS-XMMPIXPASA-N 1 0 391.490 4.435 50 0 GIAARO CCn1cc(C[N@@H+]2CCCC23CCN(c2nc4ccccc4s2)CC3)cn1 ZINC000072473711 211123072 /nfs/dbraw/zinc/12/30/72/211123072.db2.gz BCPQTNBDEVFGJS-UHFFFAOYSA-N 1 0 381.549 4.148 50 0 GIAARO Cc1cc(CNc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)ccn1 ZINC000072457022 211122882 /nfs/dbraw/zinc/12/28/82/211122882.db2.gz WQECICGVJJSKPV-UHFFFAOYSA-N 1 0 393.922 4.115 50 0 GIAARO Cc1cccc(-n2cc(C[N@@H+]3CCC[C@@](C)(O)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072435410 211119705 /nfs/dbraw/zinc/11/97/05/211119705.db2.gz CTLFJPFVXAUAFG-HSZRJFAPSA-N 1 0 379.479 4.334 50 0 GIAARO COc1ccc(OC)c(-c2nc3c(C)cccc3cc2C[NH+]2CCC(O)CC2)c1 ZINC000072438382 211119617 /nfs/dbraw/zinc/11/96/17/211119617.db2.gz FBQSDIPNDVTPHK-UHFFFAOYSA-N 1 0 392.499 4.184 50 0 GIAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CCC[C@H](C(N)=O)C2)CCC4)c1 ZINC000072411205 211113849 /nfs/dbraw/zinc/11/38/49/211113849.db2.gz XDXUHFAUAJWKBZ-NRFANRHFSA-N 1 0 399.538 4.396 50 0 GIAARO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)on1 ZINC000072169381 211079488 /nfs/dbraw/zinc/07/94/88/211079488.db2.gz GHZAQPWPDGOPAZ-FQEVSTJZSA-N 1 0 387.499 4.310 50 0 GIAARO CC(C)[C@H]1CN(Cc2cnn(C)c2C2CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071775498 211062422 /nfs/dbraw/zinc/06/24/22/211062422.db2.gz MPGAVGPKXRQLLI-JOCHJYFZSA-N 1 0 384.543 4.169 50 0 GIAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@@H+]1CCCC1(C)C ZINC000071755350 211058196 /nfs/dbraw/zinc/05/81/96/211058196.db2.gz PWMLMPBCOICBOX-UHFFFAOYSA-N 1 0 396.560 4.085 50 0 GIAARO O=C(CCCc1ncc(-c2ccccc2)o1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000069973541 211040128 /nfs/dbraw/zinc/04/01/28/211040128.db2.gz SFLMYAJRIOQFQH-UHFFFAOYSA-N 1 0 395.547 4.435 50 0 GIAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccncc2)C[C@H]2CCCO2)cc1C ZINC000067854696 211024007 /nfs/dbraw/zinc/02/40/07/211024007.db2.gz IEVDVWVOUXIMSB-JOCHJYFZSA-N 1 0 376.504 4.270 50 0 GIAARO c1cn(CCC[N@@H+]2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)cn1 ZINC000067772767 211020455 /nfs/dbraw/zinc/02/04/55/211020455.db2.gz FROCVLRBQSHWGL-UHFFFAOYSA-N 1 0 397.526 4.235 50 0 GIAARO CC(C)C[C@]1(CO)CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067473036 211010749 /nfs/dbraw/zinc/01/07/49/211010749.db2.gz PFOOSCOTRUWMSK-HSZRJFAPSA-N 1 0 378.520 4.017 50 0 GIAARO Fc1ccc2[nH]c(-c3cc4n(n3)CCC[N@H+](C/C=C/c3ccco3)C4)nc2c1 ZINC000067642024 211013771 /nfs/dbraw/zinc/01/37/71/211013771.db2.gz GWKLSFXFTBESQI-DAFODLJHSA-N 1 0 377.423 4.078 50 0 GIAARO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000067602167 211012398 /nfs/dbraw/zinc/01/23/98/211012398.db2.gz KQRQTECWYDHYDL-UHFFFAOYSA-N 1 0 396.512 4.114 50 0 GIAARO COc1ccc2[nH]cc(C3CC[NH+](C[C@H](O)c4ccc(OC)c(F)c4)CC3)c2c1 ZINC000066436463 211002649 /nfs/dbraw/zinc/00/26/49/211002649.db2.gz QRRYEPRVXTZHFX-QFIPXVFZSA-N 1 0 398.478 4.237 50 0 GIAARO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000058441252 210920451 /nfs/dbraw/zinc/92/04/51/210920451.db2.gz OYUAWSFBWCUCBM-UHFFFAOYSA-N 1 0 387.553 4.359 50 0 GIAARO Cc1cccc(-c2ncc(C[NH2+]C[C@H](C)Oc3cccc(N(C)C)c3)cn2)c1 ZINC000055227991 210882726 /nfs/dbraw/zinc/88/27/26/210882726.db2.gz IBPNXPMGPTVLRV-SFHVURJKSA-N 1 0 376.504 4.075 50 0 GIAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(OC)cc1 ZINC000044936351 210819952 /nfs/dbraw/zinc/81/99/52/210819952.db2.gz WIWODWAVKKAIFM-QFIPXVFZSA-N 1 0 384.495 4.314 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)cc1 ZINC000036102366 210710352 /nfs/dbraw/zinc/71/03/52/210710352.db2.gz CARJHXYSVOFTEW-OAQYLSRUSA-N 1 0 399.462 4.007 50 0 GIAARO CC(C)Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000032951927 210606817 /nfs/dbraw/zinc/60/68/17/210606817.db2.gz HPZXJUFFYRWTJB-UHFFFAOYSA-N 1 0 392.609 4.162 50 0 GIAARO c1cnn(Cc2ccc(C[NH2+]Cc3cccc(OCc4ccccn4)c3)cc2)c1 ZINC000030629949 210556458 /nfs/dbraw/zinc/55/64/58/210556458.db2.gz KHRZCRCGWIBSKV-UHFFFAOYSA-N 1 0 384.483 4.195 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2ccc(OCC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027746383 210517432 /nfs/dbraw/zinc/51/74/32/210517432.db2.gz CHSNQNDBWOKSKA-HSZRJFAPSA-N 1 0 396.531 4.297 50 0 GIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cc(OC)ccc1OC ZINC000021720812 210390662 /nfs/dbraw/zinc/39/06/62/210390662.db2.gz VNFRONDWFAGIJF-GOSISDBHSA-N 1 0 396.491 4.290 50 0 GIAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)no2)cc1 ZINC000021805556 210395268 /nfs/dbraw/zinc/39/52/68/210395268.db2.gz DHWIEPOEJCWMMP-SFHVURJKSA-N 1 0 381.501 4.278 50 0 GIAARO O=C(Nc1cccc(Cl)c1)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000020941252 210370417 /nfs/dbraw/zinc/37/04/17/210370417.db2.gz WFMNLNCOWMAMLM-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO CCCOc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Br ZINC000020925958 210368938 /nfs/dbraw/zinc/36/89/38/210368938.db2.gz GPVVWQVVAZJELC-UHFFFAOYSA-N 1 0 378.266 4.256 50 0 GIAARO COc1cccc(C[N@H+](C)Cc2ccc(-c3nc(C(F)F)cc(=O)[nH]3)cc2)c1 ZINC000020908344 210368485 /nfs/dbraw/zinc/36/84/85/210368485.db2.gz GATDPVBGZZEKKV-UHFFFAOYSA-N 1 0 385.414 4.427 50 0 GIAARO O=C(Nc1cc[nH]n1)c1ccc([C@H]2CCC[N@@H+]2C2Cc3ccccc3C2)s1 ZINC000020858647 210364899 /nfs/dbraw/zinc/36/48/99/210364899.db2.gz CIZUKYSPKNHJRE-QGZVFWFLSA-N 1 0 378.501 4.028 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc(OC(C)C)cc2)c(F)c1 ZINC000020782638 210361364 /nfs/dbraw/zinc/36/13/64/210361364.db2.gz MQJZSGBFGQWYSG-UHFFFAOYSA-N 1 0 383.467 4.344 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000020574446 210347851 /nfs/dbraw/zinc/34/78/51/210347851.db2.gz PGUMRZKLUVQKCP-GJZGRUSLSA-N 1 0 383.471 4.204 50 0 GIAARO c1csc(CC[NH2+]Cc2cccn2-c2nnc(N3CCCCCC3)s2)c1 ZINC000020576885 210347775 /nfs/dbraw/zinc/34/77/75/210347775.db2.gz LGNBOGZWFOKNPM-UHFFFAOYSA-N 1 0 387.578 4.103 50 0 GIAARO CCN(CC)c1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=[NH2+])oc2c1 ZINC000020573188 210347463 /nfs/dbraw/zinc/34/74/63/210347463.db2.gz HYIQYSRPVVBAOV-UHFFFAOYSA-N 1 0 383.879 4.342 50 0 GIAARO CC(=O)CCc1ccc(OCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020500015 210342124 /nfs/dbraw/zinc/34/21/24/210342124.db2.gz UISUBEGXAWUGEQ-UHFFFAOYSA-N 1 0 394.559 4.185 50 0 GIAARO c1ccc(C[NH+]2CCN(CCOCCOc3cccc4ccccc43)CC2)cc1 ZINC000020500128 210341130 /nfs/dbraw/zinc/34/11/30/210341130.db2.gz UBSIOKKUUBUUDQ-UHFFFAOYSA-N 1 0 390.527 4.053 50 0 GIAARO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](CC4CCCC4)C3)CC2)c1 ZINC000020539143 210345465 /nfs/dbraw/zinc/34/54/65/210345465.db2.gz ICHVNAMBASXGKY-OAQYLSRUSA-N 1 0 395.513 4.482 50 0 GIAARO Cc1c(=O)[nH]c(-c2ccc(C[N@H+](C)Cc3ccco3)cc2)nc1C(F)(F)F ZINC000020351489 210329621 /nfs/dbraw/zinc/32/96/21/210329621.db2.gz UTCPOPNKUPSJCV-UHFFFAOYSA-N 1 0 377.366 4.401 50 0 GIAARO Cc1cccc(-n2cc(CN3CC[C@H]([NH+](C)C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000020351209 210329388 /nfs/dbraw/zinc/32/93/88/210329388.db2.gz RAUMWFFGTZLHPO-QFIPXVFZSA-N 1 0 378.495 4.123 50 0 GIAARO CNc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)ccn1 ZINC000020453670 210335468 /nfs/dbraw/zinc/33/54/68/210335468.db2.gz INTXMWORZMGEFJ-QHCPKHFHSA-N 1 0 384.568 4.022 50 0 GIAARO O[C@H](CSc1cccc(Cl)c1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020385253 210331849 /nfs/dbraw/zinc/33/18/49/210331849.db2.gz PTLBRGFSIHPASR-SFHVURJKSA-N 1 0 397.371 4.269 50 0 GIAARO Cc1sc2ccccc2c1C[NH2+]C[C@H]1C[C@@H](CO)N(C)[C@H]1c1ccccc1F ZINC000020202248 210322324 /nfs/dbraw/zinc/32/23/24/210322324.db2.gz BIBFGXMAHBVIEE-SAHWJRBASA-N 1 0 398.547 4.492 50 0 GIAARO Cc1cccc(OCC(=O)N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000019889474 210305250 /nfs/dbraw/zinc/30/52/50/210305250.db2.gz SVFSLORALKEMRW-UHFFFAOYSA-N 1 0 392.543 4.244 50 0 GIAARO OC[C@@H]1CCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000019772237 210294742 /nfs/dbraw/zinc/29/47/42/210294742.db2.gz QYOCUOJGKBUPOF-NRFANRHFSA-N 1 0 387.483 4.301 50 0 GIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@](CO)(CCOc2ccccc2)C1 ZINC000011816500 221128472 /nfs/dbraw/zinc/12/84/72/221128472.db2.gz NGNXLIAMXUWCKN-REXAPNPKSA-N 1 0 381.516 4.252 50 0 GIAARO Cc1ccc2cc(C[NH2+]Cc3cccc(Cl)c3)c(N3CCC(O)CC3)nc2c1 ZINC000011839451 221131386 /nfs/dbraw/zinc/13/13/86/221131386.db2.gz WINBBRWUOASCBH-UHFFFAOYSA-N 1 0 395.934 4.448 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(F)cc1)c1ccccc1Cl ZINC000011917248 221137897 /nfs/dbraw/zinc/13/78/97/221137897.db2.gz YDVIGGYLGJMGCH-IBGZPJMESA-N 1 0 378.875 4.057 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)c(F)c1 ZINC000011935313 221139193 /nfs/dbraw/zinc/13/91/93/221139193.db2.gz IDOOFEYJKNMNIY-AWEZNQCLSA-N 1 0 397.450 4.189 50 0 GIAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000011935030 221139595 /nfs/dbraw/zinc/13/95/95/221139595.db2.gz QYMQOGLHXQUBCF-SFHVURJKSA-N 1 0 382.470 4.361 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000040103794 132395861 /nfs/dbraw/zinc/39/58/61/132395861.db2.gz SHYFGPPZOKWJFI-QHCPKHFHSA-N 1 0 392.547 4.288 50 0 GIAARO Cc1cccc(N2CCC([NH2+][C@@H]3CCCCN(Cc4cccnc4)C3)CC2)c1 ZINC000082148467 136174173 /nfs/dbraw/zinc/17/41/73/136174173.db2.gz HKUCNVFWBASINY-HSZRJFAPSA-N 1 0 378.564 4.003 50 0 GIAARO CCCc1cc(N2CCC([N@H+](C)Cc3cccc4cnccc43)CC2)nc(C)n1 ZINC000095504602 136180232 /nfs/dbraw/zinc/18/02/32/136180232.db2.gz MAHFKCSPIXYANQ-UHFFFAOYSA-N 1 0 389.547 4.387 50 0 GIAARO Cc1cc(N2CCC([NH2+]C[C@@H](c3ccccc3C)N(C)C)CC2)nc(C(C)C)n1 ZINC000095527552 136181773 /nfs/dbraw/zinc/18/17/73/136181773.db2.gz TWMHCRJHLMCIFV-QFIPXVFZSA-N 1 0 395.595 4.078 50 0 GIAARO Cc1noc(C)c1COc1ccc(CN2C[C@H]([NH+](C)C)Cc3ccccc32)cc1 ZINC000096003684 136183213 /nfs/dbraw/zinc/18/32/13/136183213.db2.gz SEFQHWMYVNLZLZ-OAQYLSRUSA-N 1 0 391.515 4.363 50 0 GIAARO C[NH+]1CCN(c2ccc(Nc3ncnc4sc5c(c43)CCCC5)cc2)CC1 ZINC000000754665 136192938 /nfs/dbraw/zinc/19/29/38/136192938.db2.gz UHAXHMRFSJQMPN-UHFFFAOYSA-N 1 0 379.533 4.066 50 0 GIAARO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)c1ccc([S@@](C)=O)cc1 ZINC000221899302 136204674 /nfs/dbraw/zinc/20/46/74/136204674.db2.gz UMXGKTPFBJNJAC-LMZHUWQESA-N 1 0 376.953 4.397 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(=O)c2cc(C)cc(C)c2o1)c1ccccc1 ZINC000028292598 221674904 /nfs/dbraw/zinc/67/49/04/221674904.db2.gz OQXAMBNZLGAZBE-HXUWFJFHSA-N 1 0 392.499 4.223 50 0 GIAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)c1ccc(-c2ccc(CO)cc2)cc1 ZINC000426411266 527083477 /nfs/dbraw/zinc/08/34/77/527083477.db2.gz HSACOHKIVGIJSF-UHFFFAOYSA-N 1 0 380.532 4.230 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000040103954 535756071 /nfs/dbraw/zinc/75/60/71/535756071.db2.gz AQZVRFLWVNZTKJ-HXUWFJFHSA-N 1 0 378.520 4.028 50 0 GIAARO CCc1cnc(C)nc1N1CCC([NH2+][C@@H](CC(C)(C)C)c2cccnc2)CC1 ZINC000096137822 536019990 /nfs/dbraw/zinc/01/99/90/536019990.db2.gz BPRUKUOFINJDNC-NRFANRHFSA-N 1 0 381.568 4.478 50 0 GIAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCS[C@@H]1c1ccccc1F ZINC000014014749 570280831 /nfs/dbraw/zinc/28/08/31/570280831.db2.gz IPFGMDPNIQTVEK-HSZRJFAPSA-N 1 0 398.547 4.354 50 0 GIAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(=O)C(C)C)c3ccccc3)CC2)c1 ZINC000034682489 570300365 /nfs/dbraw/zinc/30/03/65/570300365.db2.gz CEVZXRQUBUOIOJ-UHFFFAOYSA-N 1 0 396.531 4.357 50 0 GIAARO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C/S(=O)(=O)c3ccccc3)cc12 ZINC000022049749 570303162 /nfs/dbraw/zinc/30/31/62/570303162.db2.gz MJICWWOZPCLNBP-XSSIKURBSA-N 1 0 380.513 4.249 50 0 in-vitro GIAARO CN(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022075466 570305373 /nfs/dbraw/zinc/30/53/73/570305373.db2.gz GSAUWCVYXSOJOL-UHFFFAOYSA-N 1 0 397.744 4.333 50 0 GIAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccccc1F ZINC000022075278 570305396 /nfs/dbraw/zinc/30/53/96/570305396.db2.gz NIOXKXJTPILQRN-NRFANRHFSA-N 1 0 381.447 4.237 50 0 GIAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000024841146 570313243 /nfs/dbraw/zinc/31/32/43/570313243.db2.gz RSCAOAMFMLDQFZ-UHFFFAOYSA-N 1 0 398.532 4.174 50 0 GIAARO Cc1cc([C@H]2C[C@@H](C(=O)NC3CC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716649 570319499 /nfs/dbraw/zinc/31/94/99/570319499.db2.gz IEWAIOTWEUUXAC-RBUKOAKNSA-N 1 0 384.470 4.158 50 0 GIAARO CC[NH+](CC)C[C@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 ZINC000006382449 570322302 /nfs/dbraw/zinc/32/23/02/570322302.db2.gz XSDQXSJOBJRTEA-LJQANCHMSA-N 1 0 385.464 4.194 50 0 GIAARO CCc1nc2sc3c(ncnc3NCCC[NH+](C)C)c2c2c1COC(C)(C)C2 ZINC000004843902 570327367 /nfs/dbraw/zinc/32/73/67/570327367.db2.gz XSBOEQXKMHSIIF-UHFFFAOYSA-N 1 0 399.564 4.017 50 0 GIAARO COc1cccc(C[NH2+]CCOc2ccccn2)c1OCc1ccccc1Cl ZINC000113396290 570331436 /nfs/dbraw/zinc/33/14/36/570331436.db2.gz YXTDVUHHBPAVAJ-UHFFFAOYSA-N 1 0 398.890 4.491 50 0 GIAARO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccnn1C(C)C ZINC000022912513 570333720 /nfs/dbraw/zinc/33/37/20/570333720.db2.gz BWGCPTIZXZGWLY-HSZRJFAPSA-N 1 0 391.563 4.236 50 0 GIAARO O=c1cc(CN2CCCC[C@H]2c2nc3ccccc3s2)nc2sccn21 ZINC000008004961 570349043 /nfs/dbraw/zinc/34/90/43/570349043.db2.gz TZHKDIPHAAHTDH-HNNXBMFYSA-N 1 0 382.514 4.093 50 0 GIAARO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCC(C)CC4)sc3nc2c1 ZINC000004886365 570355196 /nfs/dbraw/zinc/35/51/96/570355196.db2.gz GQWUZWNVNFPAJU-UHFFFAOYSA-N 1 0 397.544 4.310 50 0 GIAARO O[C@H](c1cc2n(n1)CCC[N@@H+](C1CCc3ccccc3CC1)C2)c1ccccc1 ZINC000219345046 570356118 /nfs/dbraw/zinc/35/61/18/570356118.db2.gz YNYDQLSCCXNTDW-VWLOTQADSA-N 1 0 387.527 4.118 50 0 GIAARO Cc1ccc2cc3cc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)oc3nc2c1 ZINC000004906470 570362487 /nfs/dbraw/zinc/36/24/87/570362487.db2.gz WQMSEVDJUYHLRE-IAGOWNOFSA-N 1 0 379.504 4.387 50 0 GIAARO O=C(Nc1ccccc1)OC[C@H](C[NH+]1CCCCC1)OC(=O)Nc1ccccc1 ZINC000004245652 570364242 /nfs/dbraw/zinc/36/42/42/570364242.db2.gz YUGZHQHSNYIFLG-FQEVSTJZSA-N 1 0 397.475 4.338 50 0 in-man GIAARO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)o1 ZINC000004324956 570368298 /nfs/dbraw/zinc/36/82/98/570368298.db2.gz NCOWTNSDMVYWRK-UHFFFAOYSA-N 1 0 381.398 4.393 50 0 GIAARO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738202 570371226 /nfs/dbraw/zinc/37/12/26/570371226.db2.gz LAUCCHHPDACVPK-HXUWFJFHSA-N 1 0 375.472 4.217 50 0 GIAARO O=C(CCc1nc2ccccc2o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023957199 570375771 /nfs/dbraw/zinc/37/57/71/570375771.db2.gz GJHDOBRTQMVFRF-UHFFFAOYSA-N 1 0 399.494 4.258 50 0 GIAARO CC(C)[C@H]1C[C@](CC[NH+]2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 ZINC000022935354 570379735 /nfs/dbraw/zinc/37/97/35/570379735.db2.gz KYMXTLSYOMGHST-YADHBBJMSA-N 1 0 378.988 4.341 50 0 GIAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000024556138 570385533 /nfs/dbraw/zinc/38/55/33/570385533.db2.gz LICSFZVQSLREQG-QFIPXVFZSA-N 1 0 379.479 4.111 50 0 GIAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024633163 570388427 /nfs/dbraw/zinc/38/84/27/570388427.db2.gz DKZHXBLIRIRLRQ-UHFFFAOYSA-N 1 0 379.479 4.070 50 0 GIAARO CCc1ccc(C[NH+]2CCC(N3CCN(c4ccccc4OC)CC3)CC2)cc1 ZINC000004703451 570395402 /nfs/dbraw/zinc/39/54/02/570395402.db2.gz FIKKZAYVXCIXNP-UHFFFAOYSA-N 1 0 393.575 4.044 50 0 GIAARO O=C(C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCCCC1 ZINC000004725495 570398226 /nfs/dbraw/zinc/39/82/26/570398226.db2.gz VJWPTVBXHATEAM-UHFFFAOYSA-N 1 0 392.543 4.490 50 0 GIAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000005022447 570398646 /nfs/dbraw/zinc/39/86/46/570398646.db2.gz VPBCEYXQQUMBOH-UHFFFAOYSA-N 1 0 387.907 4.316 50 0 GIAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)N1CCCCCC1 ZINC000004744869 570401732 /nfs/dbraw/zinc/40/17/32/570401732.db2.gz BAKKADZPEIAHBZ-KRWDZBQOSA-N 1 0 379.342 4.064 50 0 GIAARO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1)N1CCCCCC1 ZINC000004744904 570401762 /nfs/dbraw/zinc/40/17/62/570401762.db2.gz GRORKUIIVUJROL-QGZVFWFLSA-N 1 0 379.342 4.064 50 0 GIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000012988339 570407473 /nfs/dbraw/zinc/40/74/73/570407473.db2.gz AXOLZMAGZMAYNK-UHFFFAOYSA-N 1 0 387.321 4.365 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3OC)=NN12 ZINC000005093606 570415732 /nfs/dbraw/zinc/41/57/32/570415732.db2.gz HATSPIFVBIEQDP-HXUWFJFHSA-N 1 0 377.488 4.051 50 0 GIAARO CSc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025946906 570420938 /nfs/dbraw/zinc/42/09/38/570420938.db2.gz SMNXSXJWDLFLOW-UHFFFAOYSA-N 1 0 382.529 4.332 50 0 GIAARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000032951840 570427821 /nfs/dbraw/zinc/42/78/21/570427821.db2.gz HGXLFIZUODWEJV-UHFFFAOYSA-N 1 0 392.609 4.117 50 0 GIAARO CC[NH+](CC)CCCn1c(N)c(C(=O)Nc2ccccc2Cl)sc1=S ZINC000032952259 570429241 /nfs/dbraw/zinc/42/92/41/570429241.db2.gz WGSFWBJUJTWUNP-UHFFFAOYSA-N 1 0 398.985 4.499 50 0 GIAARO Cc1cc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)ccc1Cl ZINC000027582012 570436493 /nfs/dbraw/zinc/43/64/93/570436493.db2.gz TWWDEIGNCMIJHN-GOSISDBHSA-N 1 0 392.952 4.432 50 0 GIAARO Cc1cc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc(C)c1Cl ZINC000027582104 570436791 /nfs/dbraw/zinc/43/67/91/570436791.db2.gz QPKRLABKIUFVHQ-KRWDZBQOSA-N 1 0 392.952 4.350 50 0 GIAARO COc1ccccc1OCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027584418 570436846 /nfs/dbraw/zinc/43/68/46/570436846.db2.gz ALTYNEBCACOOQL-OAQYLSRUSA-N 1 0 396.531 4.116 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584433 570436939 /nfs/dbraw/zinc/43/69/39/570436939.db2.gz ZEQTYVRBKWSLSY-QHCPKHFHSA-N 1 0 380.532 4.416 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1ccc(Br)o1 ZINC000027663931 570439282 /nfs/dbraw/zinc/43/92/82/570439282.db2.gz ALKDTCCYRWXJTJ-LBPRGKRZSA-N 1 0 383.311 4.061 50 0 GIAARO CCCOc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1 ZINC000027747562 570441674 /nfs/dbraw/zinc/44/16/74/570441674.db2.gz RIRZJJGUDSJJJA-QHCPKHFHSA-N 1 0 396.531 4.441 50 0 GIAARO CC(C)(C)c1ccc([C@H](CNC(=O)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000028288709 570455017 /nfs/dbraw/zinc/45/50/17/570455017.db2.gz GPWFIZDHDQMRGM-QFIPXVFZSA-N 1 0 380.532 4.316 50 0 GIAARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)cc1C ZINC000028290965 570455924 /nfs/dbraw/zinc/45/59/24/570455924.db2.gz LKGYQGGIDORKRX-JOCHJYFZSA-N 1 0 382.548 4.399 50 0 GIAARO Cc1cccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000028291549 570456072 /nfs/dbraw/zinc/45/60/72/570456072.db2.gz HDWJRDWEAABFJZ-LJQANCHMSA-N 1 0 386.561 4.333 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(=O)c2cc(C)cc(C)c2o1)c1ccccc1 ZINC000028292595 570456648 /nfs/dbraw/zinc/45/66/48/570456648.db2.gz OQXAMBNZLGAZBE-FQEVSTJZSA-N 1 0 392.499 4.223 50 0 GIAARO COc1cccc(-c2nc(C)c(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)s2)c1 ZINC000028349624 570458707 /nfs/dbraw/zinc/45/87/07/570458707.db2.gz ZLIOQFUWHUSKEL-HKUYNNGSSA-N 1 0 399.560 4.121 50 0 GIAARO O=C(NCc1ccccc1)C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000029171227 570469972 /nfs/dbraw/zinc/46/99/72/570469972.db2.gz UPHBEYOMWCNPEW-UHFFFAOYSA-N 1 0 388.511 4.247 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000043549667 570470752 /nfs/dbraw/zinc/47/07/52/570470752.db2.gz CQATXEVPJJOUJR-QGZVFWFLSA-N 1 0 397.475 4.280 50 0 GIAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000006576847 570480901 /nfs/dbraw/zinc/48/09/01/570480901.db2.gz NHBIUSXQFCMSRS-PTUXOGIPSA-N 1 0 383.463 4.423 50 0 GIAARO Clc1cc(Cl)c(-n2c[n+]3c(n2)CO[C@@H]2Cc4ccccc4[C@@H]23)c(Cl)c1 ZINC000139637324 570494223 /nfs/dbraw/zinc/49/42/23/570494223.db2.gz IYXACECNWSBKRJ-WBVHZDCISA-N 1 0 393.681 4.164 50 0 GIAARO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000006883143 570498296 /nfs/dbraw/zinc/49/82/96/570498296.db2.gz STWXYOHHHLNJTL-UHFFFAOYSA-N 1 0 384.303 4.442 50 0 GIAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000032516076 570510717 /nfs/dbraw/zinc/51/07/17/570510717.db2.gz NGITXEPPJYAJDQ-UHFFFAOYSA-N 1 0 396.535 4.084 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1 ZINC000032622396 570512537 /nfs/dbraw/zinc/51/25/37/570512537.db2.gz MIVRBHIMBQSNFW-SFHVURJKSA-N 1 0 387.842 4.167 50 0 GIAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1F ZINC000011093988 570518150 /nfs/dbraw/zinc/51/81/50/570518150.db2.gz UQZXMLLEAVAFMV-YCRPNKLZSA-N 1 0 386.467 4.219 50 0 GIAARO O=C(c1cccnc1Sc1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000022692103 570526172 /nfs/dbraw/zinc/52/61/72/570526172.db2.gz AUXSFYTVRWHULY-UHFFFAOYSA-N 1 0 395.553 4.252 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccccc2F)C[C@H](O)Cc2ccccc2)cc1 ZINC000036095346 570534209 /nfs/dbraw/zinc/53/42/09/570534209.db2.gz KOGAMEKGHPGXQG-JOCHJYFZSA-N 1 0 379.475 4.440 50 0 GIAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@@H](O)COCc2ccco2)cc1 ZINC000036095321 570534451 /nfs/dbraw/zinc/53/44/51/570534451.db2.gz JYKSFNCIJUIKLZ-JOCHJYFZSA-N 1 0 395.499 4.177 50 0 GIAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C)cc2)cc1 ZINC000036101751 570538369 /nfs/dbraw/zinc/53/83/69/570538369.db2.gz UYJTVYLMHLVSAQ-HSZRJFAPSA-N 1 0 391.511 4.446 50 0 GIAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccs2)Cc2ccccc2)cc1 ZINC000036103331 570540071 /nfs/dbraw/zinc/54/00/71/570540071.db2.gz SIWDHDQMIIEUDM-IBGZPJMESA-N 1 0 383.513 4.199 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036102938 570540271 /nfs/dbraw/zinc/54/02/71/570540271.db2.gz UMVMWBWVWFZURE-HXUWFJFHSA-N 1 0 375.484 4.013 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccs1 ZINC000032970895 570554931 /nfs/dbraw/zinc/55/49/31/570554931.db2.gz XNROKUMTBAUSQO-LJQANCHMSA-N 1 0 393.512 4.033 50 0 GIAARO CCOc1ccc([C@]2(O)[C@@H](C)[N@@H+]3CCCC=C3N2c2ccc(OC)cc2)cc1 ZINC000005336515 570556124 /nfs/dbraw/zinc/55/61/24/570556124.db2.gz WIAKONAZEZMVLZ-UZUQRXQVSA-N 1 0 380.488 4.085 50 0 GIAARO O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022907753 570564193 /nfs/dbraw/zinc/56/41/93/570564193.db2.gz OZPFXVAYVSBTTD-FQEVSTJZSA-N 1 0 380.488 4.417 50 0 GIAARO COc1ccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)cc1OC ZINC000011699615 570579931 /nfs/dbraw/zinc/57/99/31/570579931.db2.gz DWVOHQHTILMXHQ-UHFFFAOYSA-N 1 0 383.532 4.301 50 0 GIAARO CC[N@@H+](Cc1ccc2nonc2c1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011814326 570583895 /nfs/dbraw/zinc/58/38/95/570583895.db2.gz HLPQRSGCGVFLHW-HXUWFJFHSA-N 1 0 396.510 4.139 50 0 GIAARO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000011843402 570587793 /nfs/dbraw/zinc/58/77/93/570587793.db2.gz UDECBNCNXHHCDA-LJQANCHMSA-N 1 0 392.499 4.012 50 0 GIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000011843386 570587806 /nfs/dbraw/zinc/58/78/06/570587806.db2.gz ZCXUTCYRIRJMMO-HSZRJFAPSA-N 1 0 395.934 4.343 50 0 GIAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CCCc2ccccc2)CC1 ZINC000011873716 570589521 /nfs/dbraw/zinc/58/95/21/570589521.db2.gz VFEQYRQJEWQWCW-UHFFFAOYSA-N 1 0 376.500 4.344 50 0 GIAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCC(C)C)c1 ZINC000011951656 570595791 /nfs/dbraw/zinc/59/57/91/570595791.db2.gz XXCNJEAFSXJSEQ-UHFFFAOYSA-N 1 0 388.552 4.257 50 0 GIAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000012003029 570597919 /nfs/dbraw/zinc/59/79/19/570597919.db2.gz DZTXCZLYFGBOAR-QHCPKHFHSA-N 1 0 390.527 4.259 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000169679941 570600150 /nfs/dbraw/zinc/60/01/50/570600150.db2.gz VJJMWQOGIZXVOQ-VGOFRKELSA-N 1 0 379.479 4.378 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)cc1C ZINC000012041222 570600469 /nfs/dbraw/zinc/60/04/69/570600469.db2.gz AHYJEQHCWUPYIS-QHCPKHFHSA-N 1 0 392.543 4.247 50 0 GIAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3cc4ccccc4s3)CC2)CC1 ZINC000012050059 570600836 /nfs/dbraw/zinc/60/08/36/570600836.db2.gz LGRLGBSIQZYFBI-UHFFFAOYSA-N 1 0 399.604 4.058 50 0 GIAARO O=C(/C=C/c1ccccc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012054588 570602010 /nfs/dbraw/zinc/60/20/10/570602010.db2.gz NGKOGXMIWYFZOB-JHUUHBRDSA-N 1 0 396.575 4.362 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccc(CO)o2)CC1)Nc1ccccc1Cl ZINC000012054848 570602202 /nfs/dbraw/zinc/60/22/02/570602202.db2.gz IFWUIERFJPCXFF-UHFFFAOYSA-N 1 0 376.884 4.056 50 0 GIAARO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000012057432 570603076 /nfs/dbraw/zinc/60/30/76/570603076.db2.gz OCUCFKRRXPCRKO-MRXNPFEDSA-N 1 0 375.415 4.392 50 0 GIAARO CCOc1cccc(C[NH2+]C[C@@H](C)O)c1OCc1ccc(Cl)cc1Cl ZINC000040721042 570605958 /nfs/dbraw/zinc/60/59/58/570605958.db2.gz KHNSPXODPGJCPP-CYBMUJFWSA-N 1 0 384.303 4.442 50 0 GIAARO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccccc1C ZINC000040722324 570606896 /nfs/dbraw/zinc/60/68/96/570606896.db2.gz YXXWOUWWBXVUQM-QFIPXVFZSA-N 1 0 377.484 4.406 50 0 GIAARO COc1cccc(C[NH2+]C(C)(C)CO)c1OCc1c(Cl)cccc1Cl ZINC000040722359 570606926 /nfs/dbraw/zinc/60/69/26/570606926.db2.gz UUDHZSSRSNMBKZ-UHFFFAOYSA-N 1 0 384.303 4.442 50 0 GIAARO O=C(CCC(F)(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012093684 570608163 /nfs/dbraw/zinc/60/81/63/570608163.db2.gz KPSDYODYCFRTSJ-GOSISDBHSA-N 1 0 390.396 4.122 50 0 GIAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCc2ccccc2F)cc1 ZINC000040732817 570608999 /nfs/dbraw/zinc/60/89/99/570608999.db2.gz LUVLHJJSQSDENW-UHFFFAOYSA-N 1 0 392.474 4.484 50 0 GIAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734611 570609414 /nfs/dbraw/zinc/60/94/14/570609414.db2.gz VZWOXDPEUKMDIW-UHFFFAOYSA-N 1 0 396.512 4.372 50 0 GIAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1cccc(C)c1 ZINC000040736641 570609570 /nfs/dbraw/zinc/60/95/70/570609570.db2.gz YFTXVEMQSSEAKW-UHFFFAOYSA-N 1 0 396.531 4.075 50 0 GIAARO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCc1ccc(F)cc1Cl ZINC000040737098 570610371 /nfs/dbraw/zinc/61/03/71/570610371.db2.gz LAPVTLRDCZRPQY-QGZVFWFLSA-N 1 0 381.875 4.317 50 0 GIAARO CCOc1cc(C[NH2+]CCCO)cc(Cl)c1OCc1ccccc1Cl ZINC000040744898 570614018 /nfs/dbraw/zinc/61/40/18/570614018.db2.gz OSWWIJBHDJBPPM-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO C[N@H+](CCNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1)C1CCCCC1 ZINC000064967987 570619060 /nfs/dbraw/zinc/61/90/60/570619060.db2.gz ASGDSRNGIHBAAJ-UHFFFAOYSA-N 1 0 391.515 4.413 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005501063 570619047 /nfs/dbraw/zinc/61/90/47/570619047.db2.gz PRDYZADNQOQMSZ-JOCHJYFZSA-N 1 0 391.515 4.359 50 0 GIAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)Nc1ccc(F)cc1F ZINC000006819356 570621583 /nfs/dbraw/zinc/62/15/83/570621583.db2.gz BBBKGPSYCRHSSV-UHFFFAOYSA-N 1 0 377.410 4.138 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000036340947 570625546 /nfs/dbraw/zinc/62/55/46/570625546.db2.gz LKTIORWLKROGKD-HXUWFJFHSA-N 1 0 387.886 4.499 50 0 GIAARO COc1ccc(-n2cc(C[NH2+]CC3CCOCC3)c(-c3cccc(F)c3)n2)cc1 ZINC000012206657 570626022 /nfs/dbraw/zinc/62/60/22/570626022.db2.gz IQWLLHGKLYRABO-UHFFFAOYSA-N 1 0 395.478 4.203 50 0 GIAARO Cc1cc(C)n(-c2nc3sc4c(c3c(SCC[NH+](C)C)n2)CCCC4)n1 ZINC000005554604 570633482 /nfs/dbraw/zinc/63/34/82/570633482.db2.gz PRCHRZJMNMMUBL-UHFFFAOYSA-N 1 0 387.578 4.026 50 0 GIAARO CC(C)[N@@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@@H]1CCC(=O)N1 ZINC000012299858 570635208 /nfs/dbraw/zinc/63/52/08/570635208.db2.gz JHARZSYGIQJVDF-QFIPXVFZSA-N 1 0 388.515 4.233 50 0 GIAARO Cc1cccc(N2CC[NH+](Cc3c[nH]nc3-c3cccc4ccccc43)CC2)n1 ZINC000012302727 570637108 /nfs/dbraw/zinc/63/71/08/570637108.db2.gz YMJVPDUFESFDQG-UHFFFAOYSA-N 1 0 383.499 4.256 50 0 GIAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)c(OC)c1 ZINC000044856817 570637181 /nfs/dbraw/zinc/63/71/81/570637181.db2.gz NZUFOGZNDUIFJZ-NRFANRHFSA-N 1 0 396.531 4.183 50 0 GIAARO Cc1cccc(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)n1 ZINC000012314256 570640754 /nfs/dbraw/zinc/64/07/54/570640754.db2.gz VUIQHPPMLOQRCW-GOSISDBHSA-N 1 0 399.485 4.043 50 0 GIAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ccc(C)cc1 ZINC000012314810 570640836 /nfs/dbraw/zinc/64/08/36/570640836.db2.gz UTYDKEMUFSTANR-UHFFFAOYSA-N 1 0 398.522 4.135 50 0 GIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000012386238 570651544 /nfs/dbraw/zinc/65/15/44/570651544.db2.gz YWXCNAXOIRGQQH-UHFFFAOYSA-N 1 0 386.536 4.153 50 0 GIAARO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1C ZINC000012430401 570658976 /nfs/dbraw/zinc/65/89/76/570658976.db2.gz GAUOQPUROBYUMA-JOCHJYFZSA-N 1 0 380.532 4.173 50 0 GIAARO O=C(c1ccccc1OC1CC[NH+](CCCC(F)(F)F)CC1)N1CCCC1 ZINC000012432503 570660795 /nfs/dbraw/zinc/66/07/95/570660795.db2.gz QBAONIYKUFXENQ-UHFFFAOYSA-N 1 0 384.442 4.108 50 0 GIAARO COc1ccc(Cl)cc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000006877346 570668347 /nfs/dbraw/zinc/66/83/47/570668347.db2.gz RHNRFYKRFLJAAB-UHFFFAOYSA-N 1 0 379.932 4.469 50 0 GIAARO O=C(c1cnc2ccccc2c1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012443730 570677915 /nfs/dbraw/zinc/67/79/15/570677915.db2.gz DQLZVCNJRLJDAO-AREMUKBSSA-N 1 0 399.538 4.406 50 0 GIAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1ccc2nc(C3CC3)oc2c1 ZINC000012576505 570682378 /nfs/dbraw/zinc/68/23/78/570682378.db2.gz VBDADNWEWCTTBT-FQEVSTJZSA-N 1 0 393.462 4.411 50 0 GIAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CC1CCCC1 ZINC000012583171 570684578 /nfs/dbraw/zinc/68/45/78/570684578.db2.gz MRAFUSHNKKVWBF-UHFFFAOYSA-N 1 0 390.543 4.093 50 0 GIAARO CC[N@H+](CCOc1c(C)cccc1C)Cc1c(Cl)nc2c(C)cccn2c1=O ZINC000055199246 570686996 /nfs/dbraw/zinc/68/69/96/570686996.db2.gz ZEWSVMRDYVNNOU-UHFFFAOYSA-N 1 0 399.922 4.174 50 0 GIAARO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@H+](CC(C)(C)CO)C3)c2)c1 ZINC000012592242 570687673 /nfs/dbraw/zinc/68/76/73/570687673.db2.gz FDHSHERQIDXRHY-NRFANRHFSA-N 1 0 380.532 4.331 50 0 GIAARO COc1ccc([C@@H]2C[C@@H](C)N([C@@H](C)c3ncc(Br)cn3)C2)cc1 ZINC000241926436 570687950 /nfs/dbraw/zinc/68/79/50/570687950.db2.gz UGEDXQCAURLROA-VNHYZAJKSA-N 1 0 376.298 4.187 50 0 GIAARO Cc1cccc(-n2cc(C[N@@H+]3CCC[C@@H](CO)C3)c(-c3cccc(F)c3)n2)c1 ZINC000012596228 570689142 /nfs/dbraw/zinc/68/91/42/570689142.db2.gz IRRCBSORUNHLCI-GOSISDBHSA-N 1 0 379.479 4.191 50 0 GIAARO Cc1cccc(CSc2nnc(CC3CC[NH2+]CC3)n2-c2ccccc2)c1 ZINC000055284571 570690331 /nfs/dbraw/zinc/69/03/31/570690331.db2.gz CXLOWIHDOIJPNB-UHFFFAOYSA-N 1 0 378.545 4.410 50 0 GIAARO CCN(Cc1ccccc1)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C)C3)n2)cn1 ZINC000169783502 570696182 /nfs/dbraw/zinc/69/61/82/570696182.db2.gz LXTOFSSTRXQSAU-GOSISDBHSA-N 1 0 391.519 4.390 50 0 GIAARO CCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000244874680 570697695 /nfs/dbraw/zinc/69/76/95/570697695.db2.gz XFNJDIFZMPQHKG-KRWDZBQOSA-N 1 0 375.472 4.106 50 0 GIAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](CC(C)(C)CO)C3)cc2)c1 ZINC000012706690 570700468 /nfs/dbraw/zinc/70/04/68/570700468.db2.gz VPXUPAPVQKQXNK-HXUWFJFHSA-N 1 0 396.531 4.031 50 0 GIAARO COc1cccc(OC)c1C[N@@H+]1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012707124 570700499 /nfs/dbraw/zinc/70/04/99/570700499.db2.gz UDHNPVOFWHDYKC-JOCHJYFZSA-N 1 0 389.923 4.174 50 0 GIAARO C[NH+](C)CCN(C(=O)/C=C/c1cccs1)c1nc2c(cccc2F)s1 ZINC000004359284 570701019 /nfs/dbraw/zinc/70/10/19/570701019.db2.gz SWDBYFPZUIPCGW-CMDGGOBGSA-N 1 0 375.494 4.105 50 0 GIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](C[C@H]4CC=CCC4)CC3)on2)c1 ZINC000012711740 570702836 /nfs/dbraw/zinc/70/28/36/570702836.db2.gz IJNIAUNXGXVNHU-SFHVURJKSA-N 1 0 382.504 4.076 50 0 GIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012715148 570704445 /nfs/dbraw/zinc/70/44/45/570704445.db2.gz QYZFKUSCMYNTTC-UHFFFAOYSA-N 1 0 395.499 4.193 50 0 GIAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c1C ZINC000012717350 570704960 /nfs/dbraw/zinc/70/49/60/570704960.db2.gz KORLUOYBPWQXEV-SFHVURJKSA-N 1 0 386.515 4.372 50 0 GIAARO CCc1cccc2c(C3CC[NH+](Cc4cc(=O)n5ccsc5n4)CC3)c[nH]c21 ZINC000058011366 570706805 /nfs/dbraw/zinc/70/68/05/570706805.db2.gz MHLLTNXTJWNPEE-UHFFFAOYSA-N 1 0 392.528 4.179 50 0 GIAARO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)cc1C ZINC000247962336 570717777 /nfs/dbraw/zinc/71/77/77/570717777.db2.gz FPHVDCOOSUBXBN-SFHVURJKSA-N 1 0 376.504 4.041 50 0 GIAARO O=C(Cc1ccc(Cl)cc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006948258 570718680 /nfs/dbraw/zinc/71/86/80/570718680.db2.gz SVYRDQWZFYWWGP-UHFFFAOYSA-N 1 0 377.315 4.317 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3C)C2)nc2ccccc21 ZINC000247994879 570719745 /nfs/dbraw/zinc/71/97/45/570719745.db2.gz PACPJNQOXUOZSF-SFHVURJKSA-N 1 0 376.504 4.215 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)nc2ccccc21 ZINC000249694996 570722803 /nfs/dbraw/zinc/72/28/03/570722803.db2.gz QCJGEWOHCIZBLV-MRXNPFEDSA-N 1 0 380.467 4.046 50 0 GIAARO Cc1csc(-c2ccc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cc2)n1 ZINC000058264201 570723093 /nfs/dbraw/zinc/72/30/93/570723093.db2.gz VEICZELPLRESKS-LJQANCHMSA-N 1 0 383.492 4.290 50 0 GIAARO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1)C(C)C ZINC000058246837 570723252 /nfs/dbraw/zinc/72/32/52/570723252.db2.gz YADPQVXHFFYOJJ-UHFFFAOYSA-N 1 0 379.504 4.061 50 0 GIAARO Cc1csc(-c2ccc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cc2)n1 ZINC000058264200 570723274 /nfs/dbraw/zinc/72/32/74/570723274.db2.gz VEICZELPLRESKS-IBGZPJMESA-N 1 0 383.492 4.290 50 0 GIAARO CCC(CC)([NH2+]CN1C(=O)CN(c2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000058305356 570725418 /nfs/dbraw/zinc/72/54/18/570725418.db2.gz ZTPFXPKBDVJJIP-UHFFFAOYSA-N 1 0 385.895 4.371 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCc2cccnc2)c1)C1CCCCC1 ZINC000058341914 570727849 /nfs/dbraw/zinc/72/78/49/570727849.db2.gz UBPZOEIFBIVEGI-QFIPXVFZSA-N 1 0 396.535 4.293 50 0 GIAARO CCC(CC)(CNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)[NH+](C)C ZINC000058440160 570734096 /nfs/dbraw/zinc/73/40/96/570734096.db2.gz UEEUCVGPUWCQKU-UHFFFAOYSA-N 1 0 396.535 4.205 50 0 GIAARO C=Cc1ccc(C[N@H+]2CCCN(c3ncccc3-c3nc(CC)no3)CC2)cc1 ZINC000065257898 570758914 /nfs/dbraw/zinc/75/89/14/570758914.db2.gz XQZFCPCNOZEGBD-UHFFFAOYSA-N 1 0 389.503 4.049 50 0 GIAARO CCOc1c(Br)cc(C[NH2+]Cc2ccc(OC)cc2)cc1OC ZINC000007538518 570760533 /nfs/dbraw/zinc/76/05/33/570760533.db2.gz IGADMBAJCVNGFI-UHFFFAOYSA-N 1 0 380.282 4.155 50 0 GIAARO COc1cc(-c2c(-c3ccccc3)ncn2CC[C@H]2CCC[N@@H+]2C)ccc1O ZINC000065536489 570773087 /nfs/dbraw/zinc/77/30/87/570773087.db2.gz YGPHAIXUDLLWHC-LJQANCHMSA-N 1 0 377.488 4.416 50 0 GIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc2cn(C3CC3)cc2s1 ZINC000065285712 570781141 /nfs/dbraw/zinc/78/11/41/570781141.db2.gz JOZCISKHVQKFOF-UHFFFAOYSA-N 1 0 379.529 4.216 50 0 GIAARO O=C(CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cccc(Cl)c1 ZINC000036643882 570781785 /nfs/dbraw/zinc/78/17/85/570781785.db2.gz WYVHRHQONGKUAS-QGZVFWFLSA-N 1 0 378.925 4.411 50 0 GIAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032751492 570791673 /nfs/dbraw/zinc/79/16/73/570791673.db2.gz GXPBDTCAEQKKED-OAQYLSRUSA-N 1 0 375.472 4.437 50 0 GIAARO O=c1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)nc2ccc(Cl)cn12 ZINC000032759579 570794784 /nfs/dbraw/zinc/79/47/84/570794784.db2.gz FFOBEHRENXQWFP-NRFANRHFSA-N 1 0 389.886 4.422 50 0 GIAARO CC1CC[NH+](CCCNC(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000004669498 570816415 /nfs/dbraw/zinc/81/64/15/570816415.db2.gz KUHUHMCTAWVYFL-UHFFFAOYSA-N 1 0 388.515 4.149 50 0 GIAARO O[C@@H](c1ccccc1)C1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000060466995 570820445 /nfs/dbraw/zinc/82/04/45/570820445.db2.gz FICNGSBHBDMXFG-UXHICEINSA-N 1 0 379.422 4.184 50 0 GIAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1O2 ZINC000032814636 570835060 /nfs/dbraw/zinc/83/50/60/570835060.db2.gz QJOHLXXHDPTGEM-SFHVURJKSA-N 1 0 387.430 4.075 50 0 GIAARO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](Cc2sccc2C)C(C)C)c1 ZINC000060040582 570855368 /nfs/dbraw/zinc/85/53/68/570855368.db2.gz OKOGSPZIITXVRB-MRXNPFEDSA-N 1 0 390.549 4.162 50 0 GIAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(Br)c1OC ZINC000013721210 570863542 /nfs/dbraw/zinc/86/35/42/570863542.db2.gz WTIPJXZJFCXHCH-UHFFFAOYSA-N 1 0 384.701 4.452 50 0 GIAARO COc1cc2ncc(CN3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2c(OC)c1 ZINC000170606894 570863800 /nfs/dbraw/zinc/86/38/00/570863800.db2.gz BZNSTNMIKKDXDP-OAQYLSRUSA-N 1 0 388.471 4.465 50 0 GIAARO C[NH+](C)CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007542934 570877316 /nfs/dbraw/zinc/87/73/16/570877316.db2.gz YYDXKQITSRYSKA-INIZCTEOSA-N 1 0 396.922 4.162 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCC3)[NH+]2CCCCC2)cc1 ZINC000012594104 570884125 /nfs/dbraw/zinc/88/41/25/570884125.db2.gz VPZWIFKFXUJLOI-LJQANCHMSA-N 1 0 384.545 4.202 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000032891565 570889027 /nfs/dbraw/zinc/88/90/27/570889027.db2.gz BNTKSFCCJPZAQM-HXUWFJFHSA-N 1 0 399.535 4.458 50 0 GIAARO C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H](c4ccco4)[NH+]4CCCC4)cc3c2C1 ZINC000010090446 570891375 /nfs/dbraw/zinc/89/13/75/570891375.db2.gz XQCOAPGXOOWRDG-AOMKIAJQSA-N 1 0 391.515 4.453 50 0 GIAARO O=C(NCc1cccs1)c1ccc(-c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC000534588897 570905722 /nfs/dbraw/zinc/90/57/22/570905722.db2.gz SLNHGWUAMRFQBG-UHFFFAOYSA-N 1 0 377.513 4.336 50 0 GIAARO CC(C)[C@@H]1C=CCN1C(=O)c1ccc(-c2ccccc2OCC[NH+](C)C)cc1 ZINC000534645951 570910302 /nfs/dbraw/zinc/91/03/02/570910302.db2.gz UGNSEVUEHDMAPD-QFIPXVFZSA-N 1 0 378.516 4.331 50 0 GIAARO CC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982680 570911279 /nfs/dbraw/zinc/91/12/79/570911279.db2.gz UUXLYPPOFPHERF-WOJBJXKFSA-N 1 0 390.886 4.245 50 0 GIAARO CN(Cc1ccco1)C(=O)c1cccc(-c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC000534674580 570921634 /nfs/dbraw/zinc/92/16/34/570921634.db2.gz YHVDLSTZYUIRDZ-UHFFFAOYSA-N 1 0 375.472 4.210 50 0 GIAARO CCOc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000017015335 570936991 /nfs/dbraw/zinc/93/69/91/570936991.db2.gz BEJNOTXNHIXWQQ-UHFFFAOYSA-O 1 0 396.898 4.080 50 0 GIAARO CC(C)Cc1nc(CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)no1 ZINC000252477357 570965193 /nfs/dbraw/zinc/96/51/93/570965193.db2.gz MOOKFJLSZZHNHE-IAGOWNOFSA-N 1 0 392.544 4.022 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000045438890 570990922 /nfs/dbraw/zinc/99/09/22/570990922.db2.gz UDOJDANEBBAALC-PKOBYXMFSA-N 1 0 397.485 4.380 50 0 GIAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)n3cc(C)ccc3n2)CC(C)C)cc1 ZINC000045974129 571006912 /nfs/dbraw/zinc/00/69/12/571006912.db2.gz DHHNYBMHMHPCRN-UHFFFAOYSA-N 1 0 379.504 4.060 50 0 GIAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC3(CCC(=O)N(Cc4ccccn4)C3)CC1)=CC2 ZINC000091596058 571017282 /nfs/dbraw/zinc/01/72/82/571017282.db2.gz MACZEYZLSODKPU-UNMCSNQZSA-N 1 0 393.575 4.279 50 0 GIAARO C[C@H]1C[NH+](Cc2ccc(CNCc3c(F)cccc3Cl)cc2)C[C@H](C)O1 ZINC000084706356 571032268 /nfs/dbraw/zinc/03/22/68/571032268.db2.gz PVDPEGNRIXQXPA-HOTGVXAUSA-N 1 0 376.903 4.378 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000012792322 571046294 /nfs/dbraw/zinc/04/62/94/571046294.db2.gz RYQAVTLHYBXLOB-AWEZNQCLSA-N 1 0 386.858 4.263 50 0 GIAARO O=C(NC[C@@H]1C[N@H+](CC2CC2)CC12CCCCC2)Nc1cc(F)cc(F)c1 ZINC000409421273 823220669 /nfs/dbraw/zinc/22/06/69/823220669.db2.gz YSVLMGCIHMUAET-MRXNPFEDSA-N 1 0 377.479 4.379 50 0 GIAARO CC[NH+](CC)CCNC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1C ZINC000002332829 817384500 /nfs/dbraw/zinc/38/45/00/817384500.db2.gz KAIBCJOELXAENF-UHFFFAOYSA-N 1 0 379.504 4.127 50 0 GIAARO CC(C)Oc1ccc([C@H](CC(=O)NCCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000002452678 817389932 /nfs/dbraw/zinc/38/99/32/817389932.db2.gz SJDOTOZGBIAZHZ-JOCHJYFZSA-N 1 0 386.511 4.203 50 0 GIAARO Fc1cc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000003256775 817428901 /nfs/dbraw/zinc/42/89/01/817428901.db2.gz MCBWBMMKWOZSSP-UHFFFAOYSA-N 1 0 377.916 4.430 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000003417580 817452256 /nfs/dbraw/zinc/45/22/56/817452256.db2.gz VESPHOAVJYZIDP-HXUWFJFHSA-N 1 0 378.472 4.398 50 0 GIAARO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000003413688 817452363 /nfs/dbraw/zinc/45/23/63/817452363.db2.gz PKVJKEAMWZANQA-KRWDZBQOSA-N 1 0 380.410 4.184 50 0 GIAARO COc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccccc23)[NH+]2CCCCC2)cc1 ZINC000003430229 817454261 /nfs/dbraw/zinc/45/42/61/817454261.db2.gz KKKOWDJTGRAHKC-QHCPKHFHSA-N 1 0 391.515 4.062 50 0 GIAARO Cc1sc2nc(CSc3ccccc3)nc(N3CC[NH+](C)CC3)c2c1C ZINC000003433794 817454665 /nfs/dbraw/zinc/45/46/65/817454665.db2.gz YWBVLUMOMXAOPU-UHFFFAOYSA-N 1 0 384.574 4.352 50 0 GIAARO COc1c2c(cc3c1[C@H](C[C@H](O)c1ccc(CC(C)C)cc1)[N@H+](C)CC3)OCO2 ZINC000004029516 817497356 /nfs/dbraw/zinc/49/73/56/817497356.db2.gz OVAVSXLWDUCRCT-PMACEKPBSA-N 1 0 397.515 4.275 50 0 GIAARO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1ccc(Cl)cc1 ZINC000057315444 823279206 /nfs/dbraw/zinc/27/92/06/823279206.db2.gz XRJLSEZZLGRBOG-HNNXBMFYSA-N 1 0 397.906 4.289 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2ccc(N(C)C)cc2)C1 ZINC000011938323 818130092 /nfs/dbraw/zinc/13/00/92/818130092.db2.gz ROEZFFXBRWKDKH-OAQYLSRUSA-N 1 0 393.575 4.088 50 0 GIAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(C[C@H]3C(=O)NCc3cccc(C)n3)CC2)o1 ZINC000012160698 818144174 /nfs/dbraw/zinc/14/41/74/818144174.db2.gz JQWWYMLULJMXLR-UTKZUKDTSA-N 1 0 395.547 4.204 50 0 GIAARO Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)o1 ZINC000012315290 818154565 /nfs/dbraw/zinc/15/45/65/818154565.db2.gz SIGVVSAXPKWCPL-UHFFFAOYSA-N 1 0 378.476 4.182 50 0 GIAARO Cn1cc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)c(-c2ccccc2F)n1 ZINC000012386511 818156493 /nfs/dbraw/zinc/15/64/93/818156493.db2.gz SKVTUIQZLHSFBB-UHFFFAOYSA-N 1 0 375.451 4.044 50 0 GIAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012448916 818160867 /nfs/dbraw/zinc/16/08/67/818160867.db2.gz YTAIYKVBXAOVGX-OAQYLSRUSA-N 1 0 385.511 4.391 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CCc2ccc(F)cc2)C1 ZINC000012588595 818169134 /nfs/dbraw/zinc/16/91/34/818169134.db2.gz KUBUTOIOXLJEHF-QFIPXVFZSA-N 1 0 396.550 4.480 50 0 GIAARO CSc1ccc2cc(C[NH2+]CCc3cnn(C)c3)c(OCC(C)C)nc2c1 ZINC000014880927 818273809 /nfs/dbraw/zinc/27/38/09/818273809.db2.gz AUXXHTJHKIQDAT-UHFFFAOYSA-N 1 0 384.549 4.057 50 0 GIAARO C[N@H+](Cc1nccs1)[C@@H]1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 ZINC000014879683 818273927 /nfs/dbraw/zinc/27/39/27/818273927.db2.gz FZQBYFYJYVHCMI-HXUWFJFHSA-N 1 0 379.529 4.309 50 0 GIAARO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)CC2)c1 ZINC000019641403 818597147 /nfs/dbraw/zinc/59/71/47/818597147.db2.gz SLYNIZCAGQGYFM-HSZRJFAPSA-N 1 0 395.978 4.094 50 0 GIAARO c1[nH]nc(C2CCCCC2)c1CN1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000019741986 818603931 /nfs/dbraw/zinc/60/39/31/818603931.db2.gz CXUIJOIPEAZKAY-HSZRJFAPSA-N 1 0 378.564 4.480 50 0 GIAARO c1[nH]nc(C2CCCCC2)c1CN1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000019741988 818604029 /nfs/dbraw/zinc/60/40/29/818604029.db2.gz CXUIJOIPEAZKAY-QHCPKHFHSA-N 1 0 378.564 4.480 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)/C=C/c3cccs3)cc12 ZINC000020114419 818614009 /nfs/dbraw/zinc/61/40/09/818614009.db2.gz PDOYGDKSAMIJKY-SOFGYWHQSA-N 1 0 392.528 4.008 50 0 GIAARO Cc1ccc([C@@](O)(c2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440667 818621223 /nfs/dbraw/zinc/62/12/23/818621223.db2.gz BBUXSGAOMXEODN-UIOOFZCWSA-N 1 0 387.523 4.347 50 0 GIAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1ccc(Cl)cc1 ZINC000020781110 818631512 /nfs/dbraw/zinc/63/15/12/818631512.db2.gz NJPPPTBIKWCLAZ-RTWAWAEBSA-N 1 0 391.987 4.120 50 0 GIAARO CC[N@@H+]1CCc2c(CNC(=O)NC3CCCCC3)c(-n3cccc3)sc2C1 ZINC000020860254 818634569 /nfs/dbraw/zinc/63/45/69/818634569.db2.gz MGCTYZPTSCJSOC-UHFFFAOYSA-N 1 0 386.565 4.049 50 0 GIAARO CCc1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020927276 818640941 /nfs/dbraw/zinc/64/09/41/818640941.db2.gz RTHNQOQGHUSFPE-UHFFFAOYSA-N 1 0 394.544 4.411 50 0 GIAARO Cn1nc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c2c1-c1ccsc1CC2 ZINC000020993199 818645675 /nfs/dbraw/zinc/64/56/75/818645675.db2.gz KDJHTPFANULWOF-UHFFFAOYSA-N 1 0 392.528 4.095 50 0 GIAARO OCC1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000020999712 818646254 /nfs/dbraw/zinc/64/62/54/818646254.db2.gz QJMMCXYQOJAKSP-UHFFFAOYSA-N 1 0 379.422 4.228 50 0 GIAARO CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)cc1 ZINC000021171744 818660801 /nfs/dbraw/zinc/66/08/01/818660801.db2.gz LILYNMIIUDAVCR-IBGZPJMESA-N 1 0 390.531 4.071 50 0 GIAARO COc1cccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000021175005 818661512 /nfs/dbraw/zinc/66/15/12/818661512.db2.gz RBTSASRTHGYUTP-UHFFFAOYSA-N 1 0 387.911 4.382 50 0 GIAARO C[N@H+](CCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)C1CCCCC1 ZINC000021934192 818756818 /nfs/dbraw/zinc/75/68/18/818756818.db2.gz SOYWFWFGOUNCTR-UHFFFAOYSA-N 1 0 388.515 4.291 50 0 GIAARO OCC1(Cc2ccccc2)CC[NH+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC000023128812 818901557 /nfs/dbraw/zinc/90/15/57/818901557.db2.gz SEOLOCPEIWFVME-UHFFFAOYSA-N 1 0 389.499 4.086 50 0 GIAARO C[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nc(COc2ccccc2)cc(=O)[nH]1 ZINC000023310421 818922825 /nfs/dbraw/zinc/92/28/25/818922825.db2.gz PYHYQKPECTULAW-QGZVFWFLSA-N 1 0 375.472 4.000 50 0 GIAARO CC(C)[N@H+](C)Cc1cccc(-c2nc([C@H](C)Oc3ccccc3)cc(=O)[nH]2)c1 ZINC000023505731 818950310 /nfs/dbraw/zinc/95/03/10/818950310.db2.gz SNAIWOZKYNHJBC-KRWDZBQOSA-N 1 0 377.488 4.417 50 0 GIAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)s1 ZINC000030636509 820655732 /nfs/dbraw/zinc/65/57/32/820655732.db2.gz QVMHZYHMZUUHCX-UHFFFAOYSA-N 1 0 383.492 4.076 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000040103807 821136803 /nfs/dbraw/zinc/13/68/03/821136803.db2.gz GOFZUIAHBVLEPO-QGZVFWFLSA-N 1 0 392.503 4.376 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000040103805 821137154 /nfs/dbraw/zinc/13/71/54/821137154.db2.gz KJKOQBMZWPWJGO-QFIPXVFZSA-N 1 0 398.526 4.405 50 0 GIAARO COc1cccc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1OC ZINC000040121395 821143247 /nfs/dbraw/zinc/14/32/47/821143247.db2.gz ZFXIYRVOKXWVAI-HDICACEKSA-N 1 0 396.531 4.112 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000040157101 821151996 /nfs/dbraw/zinc/15/19/96/821151996.db2.gz QADIBGOPSADQQB-KBPBESRZSA-N 1 0 393.380 4.030 50 0 GIAARO Cc1ccc(C(=O)N2CCCCC2)c(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000040414274 821159135 /nfs/dbraw/zinc/15/91/35/821159135.db2.gz IYNYCZGZORWYHO-UHFFFAOYSA-N 1 0 383.561 4.457 50 0 GIAARO CC(C)(C)c1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)n(-c2ccc(F)cc2)n1 ZINC000044366079 821577992 /nfs/dbraw/zinc/57/79/92/821577992.db2.gz WHVYRJBMIPNWSC-UHFFFAOYSA-N 1 0 399.514 4.057 50 0 GIAARO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)o1 ZINC000184252761 822603546 /nfs/dbraw/zinc/60/35/46/822603546.db2.gz PNRKAKSMYGRZNY-HXUWFJFHSA-N 1 0 379.435 4.074 50 0 GIAARO OCC1CC[NH+](Cc2ccccc2NCc2ncc(-c3cccs3)o2)CC1 ZINC000174306996 822768338 /nfs/dbraw/zinc/76/83/38/822768338.db2.gz JLWODNOPJDHVPM-UHFFFAOYSA-N 1 0 383.517 4.220 50 0 GIAARO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC)cc1)[NH2+]C2 ZINC000055028125 822932200 /nfs/dbraw/zinc/93/22/00/822932200.db2.gz UGUYYNKNGIVOOY-HSZRJFAPSA-N 1 0 378.472 4.476 50 0 GIAARO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000186784517 822954944 /nfs/dbraw/zinc/95/49/44/822954944.db2.gz OZNUHIWHHABUJL-UHFFFAOYSA-N 1 0 394.302 4.347 50 0 GIAARO Cc1c[nH+]c(C2CCC2)n1CC1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000575549609 823976073 /nfs/dbraw/zinc/97/60/73/823976073.db2.gz LOCKOZHRIXNZIR-SFHVURJKSA-N 1 0 381.520 4.165 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccc(-c2cncnc2)cc1 ZINC000426677813 231252062 /nfs/dbraw/zinc/25/20/62/231252062.db2.gz CEUDNVCKFDTKGH-QHCPKHFHSA-N 1 0 386.499 4.101 50 0 GIAARO Cc1c[nH]c2cccc(OC[C@H](C[NH2+]C(C)(C)C)OC(=O)c3ccccc3)c12 ZINC000001898476 212258180 /nfs/dbraw/zinc/25/81/80/212258180.db2.gz YMEKUWLYUSAUHI-SFHVURJKSA-N 1 0 380.488 4.469 50 0 GIAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cccnc1 ZINC000000872259 212191215 /nfs/dbraw/zinc/19/12/15/212191215.db2.gz RMILXUSDIGNBAT-UHFFFAOYSA-N 1 0 390.483 4.454 50 0 GIAARO CC[NH+](CC)CCN1c2ccc(Cl)cc2C(c2ccccc2F)=NCC1=O ZINC000000537752 212163135 /nfs/dbraw/zinc/16/31/35/212163135.db2.gz SAADBVWGJQAEFS-UHFFFAOYSA-N 1 0 387.886 4.005 50 0 fda GIAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cc2)CC1 ZINC000009220470 212164586 /nfs/dbraw/zinc/16/45/86/212164586.db2.gz DUPZFYDIEYMANM-UHFFFAOYSA-N 1 0 392.330 4.317 50 0 GIAARO Cc1c(Br)cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1C ZINC000004311446 220702771 /nfs/dbraw/zinc/70/27/71/220702771.db2.gz YGJUDUYHROOHKU-UHFFFAOYSA-N 1 0 381.358 4.413 50 0 GIAARO COc1ccc(C[NH2+]C[C@H](CO)[C@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1 ZINC000004764684 220762832 /nfs/dbraw/zinc/76/28/32/220762832.db2.gz QJXSFASBEWVZFZ-RDGATRHJSA-N 1 0 397.559 4.211 50 0 GIAARO COc1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)cc1 ZINC000005121419 220830783 /nfs/dbraw/zinc/83/07/83/220830783.db2.gz UDTQTSZWLSWFKW-UHFFFAOYSA-N 1 0 389.908 4.167 50 0 GIAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1cccs1 ZINC000007523875 221000147 /nfs/dbraw/zinc/00/01/47/221000147.db2.gz PKVUGVBCWUCJAN-UHFFFAOYSA-N 1 0 383.469 4.354 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000008075796 221025977 /nfs/dbraw/zinc/02/59/77/221025977.db2.gz KYIKVWVRBMGUDG-UHFFFAOYSA-N 1 0 398.506 4.443 50 0 GIAARO COc1ccc([C@H](CNC(=O)Cc2ccc3c(c2)CCC3)[NH+]2CCCCC2)cc1 ZINC000008341312 221038445 /nfs/dbraw/zinc/03/84/45/221038445.db2.gz CWPNMTXDQHWZGR-DEOSSOPVSA-N 1 0 392.543 4.070 50 0 GIAARO O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000008901289 221061995 /nfs/dbraw/zinc/06/19/95/221061995.db2.gz BCTSPPGTARUYIQ-SFHVURJKSA-N 1 0 398.981 4.297 50 0 GIAARO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000008533040 221043268 /nfs/dbraw/zinc/04/32/68/221043268.db2.gz GWLXNRXPWBGACN-QGZVFWFLSA-N 1 0 393.556 4.489 50 0 GIAARO Cc1ccccc1NC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000008595832 221045827 /nfs/dbraw/zinc/04/58/27/221045827.db2.gz MXSYNHSQLRMXNA-UHFFFAOYSA-N 1 0 389.503 4.247 50 0 GIAARO COc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCCC2)cc1 ZINC000008613319 221047082 /nfs/dbraw/zinc/04/70/82/221047082.db2.gz VMKINPWEXWCFBE-QHCPKHFHSA-N 1 0 396.531 4.034 50 0 GIAARO CCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000008613304 221047753 /nfs/dbraw/zinc/04/77/53/221047753.db2.gz KBMRULHOPKMGBK-QHCPKHFHSA-N 1 0 396.531 4.441 50 0 GIAARO COc1ccccc1C[N@H+](C)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000009579362 221086830 /nfs/dbraw/zinc/08/68/30/221086830.db2.gz BGCUUEBDJLPSOI-QHCPKHFHSA-N 1 0 391.511 4.294 50 0 GIAARO C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](c4ccco4)[NH+]4CCCC4)cc3c2C1 ZINC000010090452 221097263 /nfs/dbraw/zinc/09/72/63/221097263.db2.gz XQCOAPGXOOWRDG-OPAMFIHVSA-N 1 0 391.515 4.453 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccc3ccccc3n2)[NH+]2CCCCC2)cc1 ZINC000010217073 221098806 /nfs/dbraw/zinc/09/88/06/221098806.db2.gz YZDGGQCMRLXBNF-QHCPKHFHSA-N 1 0 389.499 4.200 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccnc1SC(F)F ZINC000010284453 221099860 /nfs/dbraw/zinc/09/98/60/221099860.db2.gz FADNUPRPUOCIQU-UHFFFAOYSA-N 1 0 379.476 4.168 50 0 GIAARO O=C(CC1CCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011716278 221123697 /nfs/dbraw/zinc/12/36/97/221123697.db2.gz XSNFJFSKIQOVPV-JOCHJYFZSA-N 1 0 376.491 4.360 50 0 GIAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3c(C)nn(C(C)C)c3C)c2C)cc1 ZINC000011765500 221124471 /nfs/dbraw/zinc/12/44/71/221124471.db2.gz OPFLMTRNVXPVEG-HNNXBMFYSA-N 1 0 381.524 4.434 50 0 GIAARO COc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)c1 ZINC000011769223 221124660 /nfs/dbraw/zinc/12/46/60/221124660.db2.gz JWCLYSOVKNSDMA-HXUWFJFHSA-N 1 0 395.547 4.422 50 0 GIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)cc1OC ZINC000011816924 221127700 /nfs/dbraw/zinc/12/77/00/221127700.db2.gz CJNWCVYTAYRIAH-KRWDZBQOSA-N 1 0 378.472 4.280 50 0 GIAARO O=C(CC[C@@H]1CCC[N@@H+](C2CCN(c3cccc(Cl)c3)CC2)C1)NC1CC1 ZINC000011820712 221129471 /nfs/dbraw/zinc/12/94/71/221129471.db2.gz DHYMMHOCQBFVAS-KRWDZBQOSA-N 1 0 389.971 4.080 50 0 GIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000011840622 221130603 /nfs/dbraw/zinc/13/06/03/221130603.db2.gz CLVOILPJHZOTIZ-JOCHJYFZSA-N 1 0 391.458 4.114 50 0 GIAARO COCc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000011843496 221131844 /nfs/dbraw/zinc/13/18/44/221131844.db2.gz FCZKLFAPIKMJHF-LJQANCHMSA-N 1 0 386.561 4.064 50 0 GIAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1 ZINC000011843313 221132142 /nfs/dbraw/zinc/13/21/42/221132142.db2.gz WYYWVFUISMIONK-QHCPKHFHSA-N 1 0 382.523 4.314 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)C2CCCC2)CC1 ZINC000011841404 221132707 /nfs/dbraw/zinc/13/27/07/221132707.db2.gz ZQVFLQPMYHSQDJ-XMMPIXPASA-N 1 0 398.591 4.405 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)/C=C/c1ccncc1 ZINC000011843983 221132873 /nfs/dbraw/zinc/13/28/73/221132873.db2.gz UENVALVVPQGTLZ-CMDGGOBGSA-N 1 0 391.559 4.206 50 0 GIAARO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000011344615 221114194 /nfs/dbraw/zinc/11/41/94/221114194.db2.gz AWPZIEORZVCFHW-QGZVFWFLSA-N 1 0 387.483 4.231 50 0 GIAARO O=C(c1cccs1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011666965 221119997 /nfs/dbraw/zinc/11/99/97/221119997.db2.gz PQGNAVIVKIHYJK-UHFFFAOYSA-N 1 0 383.561 4.440 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)cc1OC ZINC000011667988 221120523 /nfs/dbraw/zinc/12/05/23/221120523.db2.gz GZVVDNHVGLENKW-HXUWFJFHSA-N 1 0 390.483 4.347 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccc3nsnc3c2)CC1)Nc1ccccc1 ZINC000012022186 221143247 /nfs/dbraw/zinc/14/32/47/221143247.db2.gz JEKGYONNQPAANE-UHFFFAOYSA-N 1 0 380.517 4.322 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccc(C3CCCC3)s2)CC1)N1CCOCC1 ZINC000012049074 221144522 /nfs/dbraw/zinc/14/45/22/221144522.db2.gz XXUYJYITNFIHIP-UHFFFAOYSA-N 1 0 390.593 4.257 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH+]2CCC(O)CC2)c(C)s1 ZINC000012053787 221145866 /nfs/dbraw/zinc/14/58/66/221145866.db2.gz ZGHRSPDNFCCLMB-UHFFFAOYSA-N 1 0 385.508 4.313 50 0 GIAARO O=C(c1cccc(F)c1)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000012148993 221159773 /nfs/dbraw/zinc/15/97/73/221159773.db2.gz QOWOMRXYNCIHMC-UHFFFAOYSA-N 1 0 396.506 4.495 50 0 GIAARO Cc1nn(C)c(Cl)c1C[NH+]1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1 ZINC000011911802 221136399 /nfs/dbraw/zinc/13/63/99/221136399.db2.gz BWUPFABTRVSPKR-UHFFFAOYSA-N 1 0 383.927 4.460 50 0 GIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(OC)cc1 ZINC000012299208 221175505 /nfs/dbraw/zinc/17/55/05/221175505.db2.gz OCWLGYFHXPJVND-HXUWFJFHSA-N 1 0 398.522 4.251 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2cccc(-n3cccn3)c2)cnn1-c1cccc(F)c1 ZINC000012302111 221178099 /nfs/dbraw/zinc/17/80/99/221178099.db2.gz PEZPFULWTRPMJW-INIZCTEOSA-N 1 0 375.451 4.356 50 0 GIAARO COc1ccc(N[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)cc1OC ZINC000012316796 221180985 /nfs/dbraw/zinc/18/09/85/221180985.db2.gz ARAQJHJCCUBYBW-HXUWFJFHSA-N 1 0 392.503 4.170 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000012373349 221185931 /nfs/dbraw/zinc/18/59/31/221185931.db2.gz YCCDWLJKIXEGQG-QGZVFWFLSA-N 1 0 397.469 4.330 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cccnc4)C3)C2)cc1 ZINC000012210571 221167423 /nfs/dbraw/zinc/16/74/23/221167423.db2.gz NMXLYSKZFOXVHQ-XMMPIXPASA-N 1 0 377.532 4.333 50 0 GIAARO C=Cc1ccc(C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC000012209137 221168277 /nfs/dbraw/zinc/16/82/77/221168277.db2.gz RQLSLKHIBONIAT-UHFFFAOYSA-N 1 0 380.507 4.495 50 0 GIAARO COc1cccc([C@H]2CCCCN2Cc2nc(COc3ccccc3)no2)c1 ZINC000012429385 221191705 /nfs/dbraw/zinc/19/17/05/221191705.db2.gz VLUSTIAIGGFHSC-HXUWFJFHSA-N 1 0 379.460 4.384 50 0 GIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012435524 221194129 /nfs/dbraw/zinc/19/41/29/221194129.db2.gz XQAZZZPWSKKFRW-UHFFFAOYSA-N 1 0 378.501 4.056 50 0 GIAARO COc1ccc(C[NH+]2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)c(F)c1 ZINC000012443808 221195676 /nfs/dbraw/zinc/19/56/76/221195676.db2.gz HANMCQFGHLSVAQ-UHFFFAOYSA-N 1 0 398.522 4.485 50 0 GIAARO Cc1cc(C)c2c(C[NH+]3CCN(c4cccc(C)c4C)CC3)cc(=O)oc2c1 ZINC000012462897 221198467 /nfs/dbraw/zinc/19/84/67/221198467.db2.gz NRAOBAASZOJLFB-UHFFFAOYSA-N 1 0 376.500 4.349 50 0 biogenic,in-vitro GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000012553717 221205902 /nfs/dbraw/zinc/20/59/02/221205902.db2.gz GIBKMZIKXVSGLT-UHFFFAOYSA-N 1 0 377.410 4.100 50 0 GIAARO CCn1cc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c(C)n1 ZINC000012574264 221208018 /nfs/dbraw/zinc/20/80/18/221208018.db2.gz APKFWTUOBBOZOG-HXUWFJFHSA-N 1 0 381.499 4.340 50 0 GIAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000012579884 221209938 /nfs/dbraw/zinc/20/99/38/221209938.db2.gz BCPVHBOOWWSKIR-HXUWFJFHSA-N 1 0 375.516 4.195 50 0 GIAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000012585378 221210523 /nfs/dbraw/zinc/21/05/23/221210523.db2.gz FDYSWUPPMFWDLD-SFHVURJKSA-N 1 0 383.513 4.275 50 0 GIAARO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(C)c(O)c(C)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000012385963 221187219 /nfs/dbraw/zinc/18/72/19/221187219.db2.gz DCXLOBYNSDXKDP-HWBMXIPRSA-N 1 0 390.527 4.255 50 0 GIAARO CC(C)c1nc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000012386147 221187613 /nfs/dbraw/zinc/18/76/13/221187613.db2.gz HELHHASANJPLAU-IBGZPJMESA-N 1 0 385.577 4.436 50 0 GIAARO O=C(NCCCCOc1ccc(F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012392924 221188817 /nfs/dbraw/zinc/18/88/17/221188817.db2.gz URQUDIGFRBMWLU-UHFFFAOYSA-N 1 0 384.495 4.401 50 0 GIAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccc3c2OCO3)c1 ZINC000012596663 221212837 /nfs/dbraw/zinc/21/28/37/221212837.db2.gz JUKOCQORNMGBBD-GOSISDBHSA-N 1 0 383.398 4.046 50 0 GIAARO CC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)cs1 ZINC000012595247 221213340 /nfs/dbraw/zinc/21/33/40/221213340.db2.gz RMUUCZKOLOTWRJ-QFIPXVFZSA-N 1 0 388.577 4.459 50 0 GIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000012708920 221219158 /nfs/dbraw/zinc/21/91/58/221219158.db2.gz LLPVVEBKMYZRMZ-HXUWFJFHSA-N 1 0 379.422 4.402 50 0 GIAARO CCCn1ncc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1C ZINC000012719058 221220575 /nfs/dbraw/zinc/22/05/75/221220575.db2.gz COLAOTSVTWXHHJ-HXUWFJFHSA-N 1 0 385.462 4.233 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)cc1OC ZINC000012715642 221221018 /nfs/dbraw/zinc/22/10/18/221221018.db2.gz QBINGCHOTFZKRW-HXUWFJFHSA-N 1 0 390.483 4.347 50 0 GIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000012718722 221221698 /nfs/dbraw/zinc/22/16/98/221221698.db2.gz ZTVJXDROYPJYES-KRWDZBQOSA-N 1 0 388.508 4.367 50 0 GIAARO CC[C@H](COC)[NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1cccc(F)c1 ZINC000012591127 221211563 /nfs/dbraw/zinc/21/15/63/221211563.db2.gz MQRVZQONLUTKMA-LJQANCHMSA-N 1 0 383.467 4.202 50 0 GIAARO COc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3S2)[NH+]2CCCCC2)cc1 ZINC000012750819 221224807 /nfs/dbraw/zinc/22/48/07/221224807.db2.gz QXUSGIVRYVPNOA-UNMCSNQZSA-N 1 0 396.556 4.055 50 0 GIAARO CCC[N@@H+](Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C)C[C@@H]1CCCO1 ZINC000012758054 221227240 /nfs/dbraw/zinc/22/72/40/221227240.db2.gz LYZZTJKQDZETPW-KRWDZBQOSA-N 1 0 388.508 4.367 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)ccc1F)[NH+]1CCCC1 ZINC000012767270 221228172 /nfs/dbraw/zinc/22/81/72/221228172.db2.gz OSVXTCKXAHCJOF-GOSISDBHSA-N 1 0 376.859 4.055 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)cc1F)[NH+]1CCCC1 ZINC000012768723 221229186 /nfs/dbraw/zinc/22/91/86/221229186.db2.gz AJHXAIPOHIPIFJ-GOSISDBHSA-N 1 0 376.859 4.055 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)n(-c2ccc(F)cc2)n1 ZINC000012774938 221230432 /nfs/dbraw/zinc/23/04/32/221230432.db2.gz IVFAMUXOLTYUCZ-JOCHJYFZSA-N 1 0 398.457 4.384 50 0 GIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1Cl ZINC000012787810 221231078 /nfs/dbraw/zinc/23/10/78/221231078.db2.gz JMPMBHHVCGJAKF-HNNXBMFYSA-N 1 0 393.712 4.107 50 0 GIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000012973942 221250862 /nfs/dbraw/zinc/25/08/62/221250862.db2.gz CIWAWHLWWPDTOK-NRFANRHFSA-N 1 0 377.488 4.129 50 0 GIAARO Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012995390 221254647 /nfs/dbraw/zinc/25/46/47/221254647.db2.gz XZHNZVJGROEYRH-UHFFFAOYSA-N 1 0 380.488 4.415 50 0 GIAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)CC1 ZINC000013321663 221265190 /nfs/dbraw/zinc/26/51/90/221265190.db2.gz KIVGFAGJDCETNC-UHFFFAOYSA-N 1 0 388.515 4.163 50 0 GIAARO COc1cc(NC(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)cc(OC)c1 ZINC000013363870 221267217 /nfs/dbraw/zinc/26/72/17/221267217.db2.gz GDYJMBSWEQZWHU-UHFFFAOYSA-N 1 0 397.519 4.046 50 0 GIAARO O=C(CSc1ncnc2sccc21)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014067778 221297085 /nfs/dbraw/zinc/29/70/85/221297085.db2.gz KSDFUONIHFYHFX-UHFFFAOYSA-N 1 0 384.530 4.018 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000014196998 221303477 /nfs/dbraw/zinc/30/34/77/221303477.db2.gz RYAMYQLNGOWUBH-IBGZPJMESA-N 1 0 383.492 4.066 50 0 GIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)CC1 ZINC000014964251 221321249 /nfs/dbraw/zinc/32/12/49/221321249.db2.gz PFWLKNQUMOAGNM-MRXNPFEDSA-N 1 0 392.927 4.164 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C(=O)c4ccco4)C3)C2)cc1 ZINC000014961628 221322164 /nfs/dbraw/zinc/32/21/64/221322164.db2.gz UBOBQBHCXMYZRH-XMMPIXPASA-N 1 0 394.515 4.100 50 0 GIAARO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000014962017 221322572 /nfs/dbraw/zinc/32/25/72/221322572.db2.gz BTSDTFWSRKBEBU-HSZRJFAPSA-N 1 0 389.499 4.417 50 0 GIAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014755620 221317565 /nfs/dbraw/zinc/31/75/65/221317565.db2.gz DRIDCYDOBRNREL-UHFFFAOYSA-N 1 0 393.531 4.115 50 0 GIAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000014955990 221320469 /nfs/dbraw/zinc/32/04/69/221320469.db2.gz ISLUBIWXNTWZFE-OAQYLSRUSA-N 1 0 389.495 4.306 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cccnc2)CC1 ZINC000015078661 221332228 /nfs/dbraw/zinc/33/22/28/221332228.db2.gz MDONDNIRIBRRJE-UHFFFAOYSA-N 1 0 395.547 4.101 50 0 GIAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000014980697 221323789 /nfs/dbraw/zinc/32/37/89/221323789.db2.gz FMSHMUZRIFIZMV-HSZRJFAPSA-N 1 0 383.488 4.007 50 0 GIAARO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C(C)C)no4)C3)C2)c1 ZINC000014980431 221323892 /nfs/dbraw/zinc/32/38/92/221323892.db2.gz CCRDEOWYZOVFDJ-HSZRJFAPSA-N 1 0 381.520 4.235 50 0 GIAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccn2-c2ncccn2)c1 ZINC000015064004 221327322 /nfs/dbraw/zinc/32/73/22/221327322.db2.gz FDGRGVMJXJCOGQ-QFIPXVFZSA-N 1 0 398.514 4.237 50 0 GIAARO COC[C@@H]1CC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000015068695 221329052 /nfs/dbraw/zinc/32/90/52/221329052.db2.gz YWVYEANCIGQEBY-GOSISDBHSA-N 1 0 379.479 4.455 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCC[C@H]2CO)c(F)c1 ZINC000015066226 221329212 /nfs/dbraw/zinc/32/92/12/221329212.db2.gz IGGUBJNIKLKYTG-IBGZPJMESA-N 1 0 395.478 4.034 50 0 GIAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000015076094 221331055 /nfs/dbraw/zinc/33/10/55/221331055.db2.gz QHKOMOPWYCVKLP-UHFFFAOYSA-N 1 0 390.915 4.064 50 0 GIAARO OCC1(CCCc2ccccc2)CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000015073309 221331115 /nfs/dbraw/zinc/33/11/15/221331115.db2.gz LSVDZBOWFOOLST-UHFFFAOYSA-N 1 0 389.543 4.470 50 0 GIAARO CC(C)(CO)[NH2+]Cc1cc2ccc(Cl)cc2nc1OCCc1ccccc1 ZINC000015070957 221331282 /nfs/dbraw/zinc/33/12/82/221331282.db2.gz VTZCNYUURIJRKG-UHFFFAOYSA-N 1 0 384.907 4.370 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000015075267 221331834 /nfs/dbraw/zinc/33/18/34/221331834.db2.gz VBNKDDQLWLMCBH-QGZVFWFLSA-N 1 0 376.422 4.442 50 0 GIAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](CO)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015073868 221331845 /nfs/dbraw/zinc/33/18/45/221331845.db2.gz IEWBYSDEZIQCNQ-GOSISDBHSA-N 1 0 379.479 4.191 50 0 GIAARO CCc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CC[NH2+]CC2)cc1 ZINC000015726896 221341371 /nfs/dbraw/zinc/34/13/71/221341371.db2.gz JJXPSEZWGRMLFE-UHFFFAOYSA-N 1 0 388.515 4.462 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860313 221348664 /nfs/dbraw/zinc/34/86/64/221348664.db2.gz WXJPQKVXASSTSI-NRFANRHFSA-N 1 0 384.520 4.173 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860284 221348690 /nfs/dbraw/zinc/34/86/90/221348690.db2.gz XEPPSJFQYLXVPK-LJQANCHMSA-N 1 0 390.911 4.210 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cc(-c2cccs2)on1 ZINC000015859704 221348939 /nfs/dbraw/zinc/34/89/39/221348939.db2.gz ZYMPYCXRXNQLHO-SFHVURJKSA-N 1 0 381.501 4.360 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)[NH+]2CCC(C)CC2)o1 ZINC000015860305 221349019 /nfs/dbraw/zinc/34/90/19/221349019.db2.gz HJGRKVWVYMYEEG-FQEVSTJZSA-N 1 0 384.520 4.173 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1cccc(C)c1 ZINC000016349298 221360878 /nfs/dbraw/zinc/36/08/78/221360878.db2.gz HUXDHMUSROLTCX-JOCHJYFZSA-N 1 0 377.484 4.406 50 0 GIAARO CCCOc1ccc(N2C(=O)C[C@H](N3CCC(C4CCCCC4)CC3)C2=O)cc1 ZINC000018220133 221389987 /nfs/dbraw/zinc/38/99/87/221389987.db2.gz CHNCOGBXILVWDT-QFIPXVFZSA-N 1 0 398.547 4.400 50 0 GIAARO COc1ccc(OCC[NH+]2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000018898942 221392743 /nfs/dbraw/zinc/39/27/43/221392743.db2.gz FHIVQMCJAJFVBO-UHFFFAOYSA-N 1 0 397.906 4.098 50 0 GIAARO Cc1cc(N2CCC(c3nccn3CC3CC3)CC2)c2cc3c(cc2[nH+]1)OCO3 ZINC000095500876 136180018 /nfs/dbraw/zinc/18/00/18/136180018.db2.gz LDVBILLPAUJPLT-UHFFFAOYSA-N 1 0 390.487 4.262 50 0 GIAARO O=C1c2ccccc2C(=CNc2cc[nH+]cc2)C(=O)N1c1ccccc1Cl ZINC000102305372 136189904 /nfs/dbraw/zinc/18/99/04/136189904.db2.gz KZDXKJYRIKOWOX-LGMDPLHJSA-N 1 0 375.815 4.375 50 0 GIAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4ccccc4Cl)nn3cnc21 ZINC000021801857 221541023 /nfs/dbraw/zinc/54/10/23/221541023.db2.gz HIKLMEQWDVSJAC-UHFFFAOYSA-N 1 0 396.926 4.358 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cccnc1Sc1ccccc1)c1cccc(F)c1 ZINC000032983594 221760924 /nfs/dbraw/zinc/76/09/24/221760924.db2.gz JBWQDVSMOVJCJQ-HXUWFJFHSA-N 1 0 395.503 4.405 50 0 GIAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000037560061 221874521 /nfs/dbraw/zinc/87/45/21/221874521.db2.gz STOMARNWECILEU-UHFFFAOYSA-N 1 0 396.531 4.420 50 0 GIAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000039400320 221888568 /nfs/dbraw/zinc/88/85/68/221888568.db2.gz HPHNRLSVCMVUHK-UHFFFAOYSA-N 1 0 388.515 4.156 50 0 GIAARO COc1cccc(C[NH2+]C2CCCCC2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734555 221927873 /nfs/dbraw/zinc/92/78/73/221927873.db2.gz NLSOYIUUSMMNNN-UHFFFAOYSA-N 1 0 382.504 4.443 50 0 GIAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040742873 221930818 /nfs/dbraw/zinc/93/08/18/221930818.db2.gz LMCATPVYLCTRMK-UHFFFAOYSA-N 1 0 376.884 4.173 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000056851967 222027083 /nfs/dbraw/zinc/02/70/83/222027083.db2.gz DFFYOTRLKJDGDE-CVEARBPZSA-N 1 0 375.472 4.476 50 0 GIAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057315266 222030207 /nfs/dbraw/zinc/03/02/07/222030207.db2.gz MNEBVQFWLBUAIV-MRXNPFEDSA-N 1 0 391.446 4.367 50 0 GIAARO Cc1noc2nc(C(C)C)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000049547654 222000435 /nfs/dbraw/zinc/00/04/35/222000435.db2.gz XPWCVQHMVMNREL-UHFFFAOYSA-N 1 0 392.503 4.049 50 0 GIAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000055360742 222020167 /nfs/dbraw/zinc/02/01/67/222020167.db2.gz NEFIMYJEACGIMX-MRXNPFEDSA-N 1 0 383.492 4.476 50 0 GIAARO CSc1ncc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)cn1 ZINC000055568666 222022234 /nfs/dbraw/zinc/02/22/34/222022234.db2.gz HNGBXFPVVRSEGO-SFHVURJKSA-N 1 0 397.523 4.327 50 0 GIAARO C[C@@H](Sc1nncs1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000055459042 222023002 /nfs/dbraw/zinc/02/30/02/222023002.db2.gz ASQOBXXXAFLOOW-UONOGXRCSA-N 1 0 376.551 4.032 50 0 GIAARO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(N(C)Cc3ccccc3)nc2)no1 ZINC000065216367 222111793 /nfs/dbraw/zinc/11/17/93/222111793.db2.gz AOEQVWDGQZHLQJ-KRWDZBQOSA-N 1 0 377.492 4.142 50 0 GIAARO Cc1ccc(NC(=O)[C@@H]([NH2+]CCOc2ccccc2F)c2ccccc2)cc1 ZINC000058123170 222038949 /nfs/dbraw/zinc/03/89/49/222038949.db2.gz WVIIMSOBYZUJLA-QFIPXVFZSA-N 1 0 378.447 4.483 50 0 GIAARO COc1ccccc1CNC(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000061721862 222063269 /nfs/dbraw/zinc/06/32/69/222063269.db2.gz SEVLJWIGWOJVKE-UHFFFAOYSA-N 1 0 386.495 4.033 50 0 GIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967959 222090370 /nfs/dbraw/zinc/09/03/70/222090370.db2.gz PPFZDIPWPQBNNJ-UHFFFAOYSA-N 1 0 391.515 4.415 50 0 GIAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)C1 ZINC000064967973 222091428 /nfs/dbraw/zinc/09/14/28/222091428.db2.gz HSORDUQXWZOUAU-SFHVURJKSA-N 1 0 391.515 4.270 50 0 GIAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000065298518 222122257 /nfs/dbraw/zinc/12/22/57/222122257.db2.gz NBQQIOBEOUTNRA-IBGZPJMESA-N 1 0 383.923 4.381 50 0 GIAARO Cc1nc(Cn2cnc(-c3ccccc3)c2-c2cccc([C@H](C)[NH+](C)C)c2)n[nH]1 ZINC000067947809 222168677 /nfs/dbraw/zinc/16/86/77/222168677.db2.gz BKDFMMVMFZXJJV-INIZCTEOSA-N 1 0 386.503 4.315 50 0 GIAARO O=C(c1ccccn1)N1CCC([N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071479603 222186304 /nfs/dbraw/zinc/18/63/04/222186304.db2.gz BONNQEKBZFFOCI-FQEVSTJZSA-N 1 0 395.522 4.170 50 0 GIAARO CNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000071774677 222197214 /nfs/dbraw/zinc/19/72/14/222197214.db2.gz CSGMFEIHAGGNSC-SFHVURJKSA-N 1 0 391.471 4.010 50 0 GIAARO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000071889330 222200082 /nfs/dbraw/zinc/20/00/82/222200082.db2.gz AECDAUPPFXJJKP-HXUWFJFHSA-N 1 0 393.369 4.452 50 0 GIAARO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)no1 ZINC000072153432 222212062 /nfs/dbraw/zinc/21/20/62/222212062.db2.gz KIYOGTLNUWUTKK-FQEVSTJZSA-N 1 0 387.499 4.310 50 0 GIAARO CC(C)[C@H]1CN(C(=O)c2cc(C3CC3)on2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072164565 222214821 /nfs/dbraw/zinc/21/48/21/222214821.db2.gz KTTOSOWRQPYNLA-HXUWFJFHSA-N 1 0 385.483 4.064 50 0 GIAARO CCN(C(=O)Nc1nnc(C2CC2)s1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314422 222225804 /nfs/dbraw/zinc/22/58/04/222225804.db2.gz LTADSNRBKKRSIL-YOEHRIQHSA-N 1 0 385.537 4.105 50 0 GIAARO COCC[N@H+](C)Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000072410281 222255871 /nfs/dbraw/zinc/25/58/71/222255871.db2.gz MWZTXQWNLQUNMV-UHFFFAOYSA-N 1 0 385.895 4.280 50 0 GIAARO Cc1cccc(-n2cc(CN3CC[N@H+](C)[C@H](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072407148 222255897 /nfs/dbraw/zinc/25/58/97/222255897.db2.gz KDIOISZWWDETFQ-GOSISDBHSA-N 1 0 378.495 4.123 50 0 GIAARO COc1ccc(OC)c(-c2nc3c(C)cccc3cc2C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000072425908 222258562 /nfs/dbraw/zinc/25/85/62/222258562.db2.gz VZQRREMDUWJUNK-IBGZPJMESA-N 1 0 392.499 4.184 50 0 GIAARO Cc1cccc(-n2cc(C[N@@H+]3CCC[C@](C)(O)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072435414 222261456 /nfs/dbraw/zinc/26/14/56/222261456.db2.gz CTLFJPFVXAUAFG-QHCPKHFHSA-N 1 0 379.479 4.334 50 0 GIAARO COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(C[N@@H+]3CC[C@@H](O)C3)cc12 ZINC000072477564 222265587 /nfs/dbraw/zinc/26/55/87/222265587.db2.gz NWJHTOXQNZGGQR-QGZVFWFLSA-N 1 0 398.890 4.139 50 0 GIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cccn2C)CC1 ZINC000095501945 222334263 /nfs/dbraw/zinc/33/42/63/222334263.db2.gz GNBHJQHSRXDFAO-UHFFFAOYSA-N 1 0 397.563 4.044 50 0 GIAARO CN(CC[C@@H](O)c1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000095505785 222337493 /nfs/dbraw/zinc/33/74/93/222337493.db2.gz JFGSSXCMYHOTRX-JOCHJYFZSA-N 1 0 381.520 4.260 50 0 GIAARO CC(=O)c1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095511452 222342590 /nfs/dbraw/zinc/34/25/90/222342590.db2.gz LNYRRDWVLPCHHE-FCHUYYIVSA-N 1 0 390.527 4.058 50 0 GIAARO Cc1cccc(C[NH+]2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)n1 ZINC000077358229 222279355 /nfs/dbraw/zinc/27/93/55/222279355.db2.gz HLTOMFUYOZRRPA-UHFFFAOYSA-N 1 0 383.923 4.058 50 0 GIAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000079053294 222302016 /nfs/dbraw/zinc/30/20/16/222302016.db2.gz NTATXKMMNGYLBJ-INIZCTEOSA-N 1 0 395.532 4.234 50 0 GIAARO Cc1cc(OC(F)F)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000079309507 222305551 /nfs/dbraw/zinc/30/55/51/222305551.db2.gz XDJAVPHSJWEEIS-UHFFFAOYSA-N 1 0 398.500 4.459 50 0 GIAARO CC(C)c1nc2cc(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4)C3)ccc2o1 ZINC000095525862 222351181 /nfs/dbraw/zinc/35/11/81/222351181.db2.gz RZWHVUSXDXWGFV-LJQANCHMSA-N 1 0 377.488 4.171 50 0 GIAARO COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)CC[NH+]2CCCCC2)c1 ZINC000095946364 222363057 /nfs/dbraw/zinc/36/30/57/222363057.db2.gz ZPWAHQWOHCGKHM-HSZRJFAPSA-N 1 0 391.515 4.249 50 0 GIAARO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095979816 222366906 /nfs/dbraw/zinc/36/69/06/222366906.db2.gz AJRVBXXJBOZFDQ-QRVBRYPASA-N 1 0 382.589 4.333 50 0 GIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cnc(C)cc3C)CC2)C1 ZINC000096180506 222395984 /nfs/dbraw/zinc/39/59/84/222395984.db2.gz RGKFSJQWOMHLDI-JOCHJYFZSA-N 1 0 391.559 4.430 50 0 GIAARO C[C@H](CCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000097016642 222434649 /nfs/dbraw/zinc/43/46/49/222434649.db2.gz TUSYKBNVQFVSGR-KUHUBIRLSA-N 1 0 398.890 4.218 50 0 GIAARO FC(F)(F)Oc1cc(Br)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000241383522 534402817 /nfs/dbraw/zinc/40/28/17/534402817.db2.gz MVYMVCBIMUIPRH-RYUDHWBXSA-N 1 0 379.220 4.386 50 0 GIAARO CCOC(=O)CCC[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000097095727 528717096 /nfs/dbraw/zinc/71/70/96/528717096.db2.gz PQKXOSUMEAPJEJ-NYSBEXSLSA-N 1 0 382.495 4.200 50 0 GIAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095500699 535936735 /nfs/dbraw/zinc/93/67/35/535936735.db2.gz MNNNYZDLANWXKU-KRWDZBQOSA-N 1 0 383.927 4.030 50 0 GIAARO Cc1noc(C)c1CCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310483 570233029 /nfs/dbraw/zinc/23/30/29/570233029.db2.gz CPFJBOPMCDSISM-CALCHBBNSA-N 1 0 383.536 4.018 50 0 GIAARO Cc1csc2nc(C[NH+]3CCC(c4c(C)[nH]c5ccccc54)CC3)cc(=O)n12 ZINC000048311200 570233505 /nfs/dbraw/zinc/23/35/05/570233505.db2.gz AVBBQYLTYLBHHG-UHFFFAOYSA-N 1 0 392.528 4.234 50 0 GIAARO Cc1ccc(C[N@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)o1 ZINC000006082996 570238825 /nfs/dbraw/zinc/23/88/25/570238825.db2.gz ALFNPRBMXJTCFF-XUZZJYLKSA-N 1 0 379.500 4.495 50 0 GIAARO O=C(Nc1ccccc1Cl)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020117780 570241622 /nfs/dbraw/zinc/24/16/22/570241622.db2.gz LLAHWOJESNUDMN-IBGZPJMESA-N 1 0 398.938 4.159 50 0 GIAARO Cc1ccc(NC(=O)NC2CC[NH+](C3CCSCC3)CC2)c2cccnc12 ZINC000097785477 570255952 /nfs/dbraw/zinc/25/59/52/570255952.db2.gz MIQQYAXZSBNSGF-UHFFFAOYSA-N 1 0 384.549 4.025 50 0 GIAARO Cc1nc(-c2cccc(C(=O)N(C)[C@@H](C[NH+](C)C)c3ccccc3)c2)c(C)[nH]1 ZINC000584901444 570270768 /nfs/dbraw/zinc/27/07/68/570270768.db2.gz UYBPTUZETQTEAH-NRFANRHFSA-N 1 0 376.504 4.068 50 0 GIAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)COc1ccc(Cl)cc1Cl ZINC000002180658 570277451 /nfs/dbraw/zinc/27/74/51/570277451.db2.gz WXMUZYHQKYNBOO-CQSZACIVSA-N 1 0 382.287 4.436 50 0 GIAARO COc1cc2c(cc1C[N@H+]1CCc3nncn3CC1)oc(C)c2-c1ccccc1 ZINC000020774438 570280025 /nfs/dbraw/zinc/28/00/25/570280025.db2.gz SKXBPRADTGXCBH-UHFFFAOYSA-N 1 0 388.471 4.067 50 0 GIAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035271107 570280198 /nfs/dbraw/zinc/28/01/98/570280198.db2.gz RLODBYXRKBOUDU-HOTGVXAUSA-N 1 0 385.895 4.018 50 0 GIAARO CC1CC[NH+](Cc2ccc(NC(=O)NCc3noc4ccccc34)cc2)CC1 ZINC000006860017 570291598 /nfs/dbraw/zinc/29/15/98/570291598.db2.gz SQAWMHJXXPLFEL-UHFFFAOYSA-N 1 0 378.476 4.381 50 0 GIAARO CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000021473994 570291602 /nfs/dbraw/zinc/29/16/02/570291602.db2.gz LQGHLWOCGXHIEZ-LJQANCHMSA-N 1 0 396.556 4.478 50 0 GIAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000021841503 570297554 /nfs/dbraw/zinc/29/75/54/570297554.db2.gz DUPLHFHHKNUOTC-XMMPIXPASA-N 1 0 388.559 4.221 50 0 GIAARO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682965 570300560 /nfs/dbraw/zinc/30/05/60/570300560.db2.gz KYUQJHLNJSMKCK-UHFFFAOYSA-N 1 0 386.923 4.292 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000022075347 570305179 /nfs/dbraw/zinc/30/51/79/570305179.db2.gz PTNYZHKFVXISIL-QFIPXVFZSA-N 1 0 377.484 4.488 50 0 GIAARO Cc1cccc(-n2cc(CN3CC[N@H+](C)[C@@H](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000106943086 570307208 /nfs/dbraw/zinc/30/72/08/570307208.db2.gz KDIOISZWWDETFQ-SFHVURJKSA-N 1 0 378.495 4.123 50 0 GIAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCN(C)[C@@H](CCO)C2)c1 ZINC000106969826 570307841 /nfs/dbraw/zinc/30/78/41/570307841.db2.gz JXTAFCCKJJCOGL-QHCPKHFHSA-N 1 0 389.543 4.017 50 0 GIAARO COc1ccccc1C[N@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000022240809 570309951 /nfs/dbraw/zinc/30/99/51/570309951.db2.gz BBUQDPSNKVKYIC-QFIPXVFZSA-N 1 0 377.484 4.234 50 0 GIAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000002886799 570316751 /nfs/dbraw/zinc/31/67/51/570316751.db2.gz LOURUFKDXWSNCQ-UHFFFAOYSA-N 1 0 388.895 4.398 50 0 GIAARO CCc1ccc([C@H](CNC(=O)c2ccc(Br)cc2F)[NH+](C)C)cc1 ZINC000022684278 570324549 /nfs/dbraw/zinc/32/45/49/570324549.db2.gz PCQXTWYZGKWQFC-SFHVURJKSA-N 1 0 393.300 4.183 50 0 GIAARO CCOc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2OC)ccc1OC(F)F ZINC000022793771 570328303 /nfs/dbraw/zinc/32/83/03/570328303.db2.gz CSNFKIRVUXOETP-UHFFFAOYSA-N 1 0 397.418 4.002 50 0 GIAARO COc1cc(C[NH2+]CCCOc2ccccn2)ccc1OCc1ccccc1 ZINC000113397321 570331575 /nfs/dbraw/zinc/33/15/75/570331575.db2.gz CHRYNSCBVTWROV-UHFFFAOYSA-N 1 0 378.472 4.228 50 0 GIAARO COc1ccc([C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)N(C)C)cc1 ZINC000022923042 570335552 /nfs/dbraw/zinc/33/55/52/570335552.db2.gz RXRHYLZRLILJMN-FQEVSTJZSA-N 1 0 384.911 4.131 50 0 GIAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)O[C@H](C)C2 ZINC000022932603 570337532 /nfs/dbraw/zinc/33/75/32/570337532.db2.gz DOBNGPXUILNKJW-XLIONFOSSA-N 1 0 384.520 4.319 50 0 GIAARO O=C(/C=C\c1cccc(Br)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033450396 570351685 /nfs/dbraw/zinc/35/16/85/570351685.db2.gz QBXWXWIHOCXUHG-KTKRTIGZSA-N 1 0 399.332 4.243 50 0 GIAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000100405550 570358285 /nfs/dbraw/zinc/35/82/85/570358285.db2.gz OKFIQTKGUZVZIM-DEOSSOPVSA-N 1 0 379.463 4.121 50 0 GIAARO CCC[C@@H](O)C[N@H+](CCOC)Cc1cccn1Cc1ccc(C(C)(C)C)cc1 ZINC000004907721 570361442 /nfs/dbraw/zinc/36/14/42/570361442.db2.gz WGPRHHBJYIOBHA-HSZRJFAPSA-N 1 0 386.580 4.443 50 0 GIAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccccn2)cs1 ZINC000004914607 570363800 /nfs/dbraw/zinc/36/38/00/570363800.db2.gz ATYYXAQYTSSQMS-BDJLRTHQSA-N 1 0 382.411 4.212 50 0 GIAARO COc1cc2[nH+]c(N(C)CCc3ccc(OC)c(OC)c3)cc(C)c2c(OC)c1 ZINC000023550070 570365528 /nfs/dbraw/zinc/36/55/28/570365528.db2.gz WXGZMPFWEVLEKD-UHFFFAOYSA-N 1 0 396.487 4.257 50 0 GIAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cccc(F)c1 ZINC000004921950 570369594 /nfs/dbraw/zinc/36/95/94/570369594.db2.gz GYBFCNFHLJGNIU-UHFFFAOYSA-N 1 0 377.419 4.002 50 0 GIAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)sc3c2c1 ZINC000004939798 570376324 /nfs/dbraw/zinc/37/63/24/570376324.db2.gz VOVXSEIMRWTTCL-OAHLLOKOSA-N 1 0 398.528 4.168 50 0 GIAARO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cc1F ZINC000024102443 570378792 /nfs/dbraw/zinc/37/87/92/570378792.db2.gz UIQJNNWYSSZNKL-FZMZJTMJSA-N 1 0 388.266 4.232 50 0 GIAARO CC(C)[C@@H]1C[C@@](CC[NH+]2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 ZINC000022935341 570379761 /nfs/dbraw/zinc/37/97/61/570379761.db2.gz KYMXTLSYOMGHST-FCHUYYIVSA-N 1 0 378.988 4.341 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2csc(C)n2)c[nH]1)c1ccsc1 ZINC000031985792 570388153 /nfs/dbraw/zinc/38/81/53/570388153.db2.gz RBEMPJIRGKMMDB-GOSISDBHSA-N 1 0 388.562 4.321 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000004622010 570388398 /nfs/dbraw/zinc/38/83/98/570388398.db2.gz XTFFKDOTVQYALW-UHFFFAOYSA-N 1 0 381.564 4.374 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000004983356 570389327 /nfs/dbraw/zinc/38/93/27/570389327.db2.gz RFTXJKHVUUUZIE-UHFFFAOYSA-N 1 0 379.891 4.497 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1c2ccccc2Oc2ccccc21 ZINC000006335637 570393809 /nfs/dbraw/zinc/39/38/09/570393809.db2.gz MDGZKGWAXOLVSQ-LJQANCHMSA-N 1 0 388.467 4.471 50 0 GIAARO Cn1c(C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)cc2sccc21 ZINC000005036447 570403022 /nfs/dbraw/zinc/40/30/22/570403022.db2.gz OPFJSRMXNPGATB-UHFFFAOYSA-N 1 0 395.572 4.314 50 0 GIAARO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000035264441 570409447 /nfs/dbraw/zinc/40/94/47/570409447.db2.gz UXDGSJYPNOOYCA-PGRDOPGGSA-N 1 0 383.488 4.275 50 0 GIAARO Cc1nc(COc2cccc(C(=O)N[C@H]3CC[C@H]([NH+]4CCCCC4)C3)c2)cs1 ZINC000390832638 570426862 /nfs/dbraw/zinc/42/68/62/570426862.db2.gz SQYWQLRCLMDDRL-ICSRJNTNSA-N 1 0 399.560 4.167 50 0 GIAARO CCC(=O)N(c1cccc(OC)c1)C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000037587772 570430160 /nfs/dbraw/zinc/43/01/60/570430160.db2.gz VBBVCWBZSDJSRL-UHFFFAOYSA-N 1 0 388.458 4.381 50 0 GIAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000027388759 570434202 /nfs/dbraw/zinc/43/42/02/570434202.db2.gz KFRFXPGGOIXEEP-UHFFFAOYSA-N 1 0 378.303 4.045 50 0 GIAARO COc1ccc([C@H](CNC(=O)COc2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027582983 570436826 /nfs/dbraw/zinc/43/68/26/570436826.db2.gz GNMSACMIOGULDP-QHCPKHFHSA-N 1 0 396.531 4.116 50 0 GIAARO Cc1cc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1Cl ZINC000027582172 570436881 /nfs/dbraw/zinc/43/68/81/570436881.db2.gz TYKWAYOKCLNDDI-QGZVFWFLSA-N 1 0 378.925 4.042 50 0 GIAARO Cc1cccc(C)c1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027741490 570440650 /nfs/dbraw/zinc/44/06/50/570440650.db2.gz GNIWJQGJYXHRQD-IBGZPJMESA-N 1 0 386.561 4.477 50 0 GIAARO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027746794 570441800 /nfs/dbraw/zinc/44/18/00/570441800.db2.gz OXSVDMPOFDIVGU-FQEVSTJZSA-N 1 0 386.561 4.477 50 0 GIAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn32)CC1 ZINC000005553175 570445928 /nfs/dbraw/zinc/44/59/28/570445928.db2.gz IBAJVZQIEQKVFA-UHFFFAOYSA-N 1 0 377.536 4.144 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028289781 570455521 /nfs/dbraw/zinc/45/55/21/570455521.db2.gz GGLZGMNUFDLSHJ-IBGZPJMESA-N 1 0 392.499 4.123 50 0 GIAARO CCc1cccc2c([C@@H](CC(=O)NCC[NH+](C)C)c3ccc(C)cc3)c[nH]c21 ZINC000035888880 570472185 /nfs/dbraw/zinc/47/21/85/570472185.db2.gz FWRYJAPCCHVYQS-NRFANRHFSA-N 1 0 377.532 4.239 50 0 GIAARO CC(C)(CNC(=O)c1ccccc1OCCOc1ccccc1)[NH+]1CCCCC1 ZINC000006552134 570474881 /nfs/dbraw/zinc/47/48/81/570474881.db2.gz PNBSEPVTTUGQNQ-UHFFFAOYSA-N 1 0 396.531 4.139 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000029563031 570476315 /nfs/dbraw/zinc/47/63/15/570476315.db2.gz GWARKKHBYJYENJ-UHFFFAOYSA-N 1 0 380.507 4.418 50 0 GIAARO C[C@@H](C[NH2+]C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006584695 570485790 /nfs/dbraw/zinc/48/57/90/570485790.db2.gz VVXCFBGYBYNXQB-CVDCTZTESA-N 1 0 394.540 4.100 50 0 GIAARO CCC[C@@H](C)[N@H+](C)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000030270051 570487742 /nfs/dbraw/zinc/48/77/42/570487742.db2.gz MUZMYGSRQOFRMN-QGZVFWFLSA-N 1 0 384.520 4.030 50 0 GIAARO C[NH2+]CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008376986 570530085 /nfs/dbraw/zinc/53/00/85/570530085.db2.gz OCECHSCLZFPVFU-UHFFFAOYSA-N 1 0 397.744 4.381 50 0 GIAARO COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccccc1F ZINC000008373834 570530208 /nfs/dbraw/zinc/53/02/08/570530208.db2.gz WJLNXVWFZVIUQY-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@H](O)COc2ccccc2)cc1 ZINC000036095314 570534581 /nfs/dbraw/zinc/53/45/81/570534581.db2.gz DCAYITVLPXMSJX-QHCPKHFHSA-N 1 0 391.511 4.446 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2)c1 ZINC000036098256 570536662 /nfs/dbraw/zinc/53/66/62/570536662.db2.gz PHKDFIIULRANAV-JOCHJYFZSA-N 1 0 377.484 4.137 50 0 GIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)s1 ZINC000036101534 570538477 /nfs/dbraw/zinc/53/84/77/570538477.db2.gz GSRUSYXCIWQUQK-LJQANCHMSA-N 1 0 389.492 4.369 50 0 GIAARO CCC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145962 570548884 /nfs/dbraw/zinc/54/88/84/570548884.db2.gz WBJWSQVNPYVVHY-SFTDATJTSA-N 1 0 386.923 4.496 50 0 GIAARO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](C)O)nc(=O)c23)cc1C ZINC000036207570 570569093 /nfs/dbraw/zinc/56/90/93/570569093.db2.gz XAJLMEMLOHEVFM-INIZCTEOSA-N 1 0 399.560 4.107 50 0 GIAARO CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C[C@@H]1CCC[N@@H+]1CC ZINC000225409980 570570945 /nfs/dbraw/zinc/57/09/45/570570945.db2.gz VAOZQEDKEKCRPL-ZDUSSCGKSA-N 1 0 392.758 4.392 50 0 GIAARO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2cccc(F)c2)ccc1O ZINC000005419383 570588896 /nfs/dbraw/zinc/58/88/96/570588896.db2.gz MEGDBMAHHNSLRU-VJBMBRPKSA-N 1 0 385.479 4.408 50 0 GIAARO CCOc1cc(CNCCC[NH+](C)C)ccc1OCc1cccc(Cl)c1 ZINC000040720279 570604770 /nfs/dbraw/zinc/60/47/70/570604770.db2.gz XPZRXMNWDUWLEX-UHFFFAOYSA-N 1 0 376.928 4.359 50 0 GIAARO CCOc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1cccc(C)c1 ZINC000040719742 570604894 /nfs/dbraw/zinc/60/48/94/570604894.db2.gz SNAZXXIVSWFNQF-UHFFFAOYSA-N 1 0 379.504 4.349 50 0 GIAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCCN2CCOCC2)c1 ZINC000040720634 570605472 /nfs/dbraw/zinc/60/54/72/570605472.db2.gz KMRHGTBMFXZOEH-UHFFFAOYSA-N 1 0 388.939 4.039 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722500 570606756 /nfs/dbraw/zinc/60/67/56/570606756.db2.gz HXZHPPZEIRECFI-OAHLLOKOSA-N 1 0 384.303 4.442 50 0 GIAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccccc1C ZINC000040722325 570606797 /nfs/dbraw/zinc/60/67/97/570606797.db2.gz YXXWOUWWBXVUQM-JOCHJYFZSA-N 1 0 377.484 4.406 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040744086 570613478 /nfs/dbraw/zinc/61/34/78/570613478.db2.gz AMRHLTARXBFTJG-LLVKDONJSA-N 1 0 388.266 4.191 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040744009 570613685 /nfs/dbraw/zinc/61/36/85/570613685.db2.gz BLZOWQNEHWGFRK-CYBMUJFWSA-N 1 0 384.303 4.442 50 0 GIAARO CCOc1cc(C[NH2+]CCCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000040744879 570613963 /nfs/dbraw/zinc/61/39/63/570613963.db2.gz JMQMLHWAFZTAMB-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO C[C@@H](c1nc2ccccc2n1CC(=O)N1CCCCCC1)[NH+]1CCCCCC1 ZINC000032999850 570616865 /nfs/dbraw/zinc/61/68/65/570616865.db2.gz QJFFKGOVJBHDDG-IBGZPJMESA-N 1 0 382.552 4.376 50 0 GIAARO C[NH+](C)CCn1c(N)c(-c2nc3ccccc3s2)c2nc3ccccc3nc21 ZINC000005509051 570618173 /nfs/dbraw/zinc/61/81/73/570618173.db2.gz KXMKWAQIPFXVOF-UHFFFAOYSA-N 1 0 388.500 4.005 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1C ZINC000036345758 570627938 /nfs/dbraw/zinc/62/79/38/570627938.db2.gz GPQSHJLPBZEUOJ-HSZRJFAPSA-N 1 0 393.531 4.332 50 0 GIAARO COc1ccc(C2=NN(C(=O)C[N@H+](C)C(C)C)[C@@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345774 570628117 /nfs/dbraw/zinc/62/81/17/570628117.db2.gz DACIPWNOMRYAEO-HSZRJFAPSA-N 1 0 393.531 4.330 50 0 GIAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000097211804 570665135 /nfs/dbraw/zinc/66/51/35/570665135.db2.gz RAUMXODIFPEIKU-UHFFFAOYSA-N 1 0 375.900 4.154 50 0 GIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000053175090 570674094 /nfs/dbraw/zinc/67/40/94/570674094.db2.gz OIEODRXQXFLPRV-UHFFFAOYSA-N 1 0 377.513 4.323 50 0 GIAARO COc1cc2c(C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)c[nH]c2cc1Cl ZINC000242155975 570688837 /nfs/dbraw/zinc/68/88/37/570688837.db2.gz WUWACZBPSNOCCP-ZDUSSCGKSA-N 1 0 377.916 4.070 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942308 570715445 /nfs/dbraw/zinc/71/54/45/570715445.db2.gz NPZKDGZBEUZYBR-UHFFFAOYSA-N 1 0 394.906 4.125 50 0 GIAARO CC(C)n1c(CN2CCC(C(=O)Nc3ccccc3)CC2)nc2ccccc21 ZINC000248159503 570721759 /nfs/dbraw/zinc/72/17/59/570721759.db2.gz KFDMSUFNBRXTCO-UHFFFAOYSA-N 1 0 376.504 4.468 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)nc2ccccc21 ZINC000248264896 570722214 /nfs/dbraw/zinc/72/22/14/570722214.db2.gz SBFYJGYUNTWSLQ-AZUAARDMSA-N 1 0 390.531 4.146 50 0 GIAARO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2CC)C1 ZINC000249700074 570723370 /nfs/dbraw/zinc/72/33/70/570723370.db2.gz XFQRNDGAYIXCGR-LJQANCHMSA-N 1 0 390.531 4.469 50 0 GIAARO CC(C)CC(=O)Nc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000058308539 570726012 /nfs/dbraw/zinc/72/60/12/570726012.db2.gz NXWOBENOVSMSSR-QGZVFWFLSA-N 1 0 388.556 4.303 50 0 GIAARO CCc1cc2oc(=O)cc(C[N@H+](C)Cc3ccc4c(c3)OCCO4)c2cc1Cl ZINC000032664865 570730744 /nfs/dbraw/zinc/73/07/44/570730744.db2.gz ZRINCGBLHJPSRX-UHFFFAOYSA-N 1 0 399.874 4.412 50 0 GIAARO Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000000959120 570739151 /nfs/dbraw/zinc/73/91/51/570739151.db2.gz CDBDWNXATSPIJP-UHFFFAOYSA-N 1 0 377.410 4.018 50 0 GIAARO Cc1ccc(CNC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)cc1 ZINC000021783975 570745084 /nfs/dbraw/zinc/74/50/84/570745084.db2.gz GVUQDJOMNRIEOK-UHFFFAOYSA-N 1 0 379.548 4.323 50 0 GIAARO CC1(C)CCC[C@H]([NH+]2CCC(c3cc(=O)[nH]c(CCc4ccccn4)n3)CC2)C1 ZINC000063846987 570751290 /nfs/dbraw/zinc/75/12/90/570751290.db2.gz UWAVQYDGXOMEAV-FQEVSTJZSA-N 1 0 394.563 4.098 50 0 GIAARO Cc1ccc(-c2nc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)cs2)cc1 ZINC000032741246 570786530 /nfs/dbraw/zinc/78/65/30/570786530.db2.gz XLZDTXSSRHMWRR-UHFFFAOYSA-N 1 0 392.528 4.123 50 0 GIAARO C=Cc1ccc(C[NH+]2CCN(Cc3cc(=O)oc4ccc(CC)cc34)CC2)cc1 ZINC000033088028 570807100 /nfs/dbraw/zinc/80/71/00/570807100.db2.gz IMXBDUGJCNHCIA-UHFFFAOYSA-N 1 0 388.511 4.316 50 0 GIAARO C[NH+](C)Cc1cccc(CNC(=O)c2cccc3c4c([nH]c32)CCCCC4)c1 ZINC000033089665 570808932 /nfs/dbraw/zinc/80/89/32/570808932.db2.gz KKUNPISUKNKALD-UHFFFAOYSA-N 1 0 375.516 4.428 50 0 GIAARO CCOc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1OC ZINC000004700477 570853186 /nfs/dbraw/zinc/85/31/86/570853186.db2.gz QDOHAPSPBNXXPF-GOSISDBHSA-N 1 0 396.531 4.183 50 0 GIAARO FC(F)(F)c1ccc(C[N@@H+]2CCCN(c3ncnc4sccc43)CC2)cc1 ZINC000032853559 570854594 /nfs/dbraw/zinc/85/45/94/570854594.db2.gz NCYSQXPJUYUHHW-UHFFFAOYSA-N 1 0 392.450 4.422 50 0 GIAARO CCOCCCNC(=O)C1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000170602731 570861403 /nfs/dbraw/zinc/86/14/03/570861403.db2.gz IIBVSZZHZLKCGQ-UHFFFAOYSA-N 1 0 386.580 4.215 50 0 GIAARO C[C@H](OC[C@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1 ZINC000032895623 570887078 /nfs/dbraw/zinc/88/70/78/570887078.db2.gz NWZKWPVUZHVZCA-KSFYIVLOSA-N 1 0 389.923 4.364 50 0 GIAARO Cc1noc(C)c1CCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299772915 570894661 /nfs/dbraw/zinc/89/46/61/570894661.db2.gz AYKOOSPTQBQMQL-ZCNNSNEGSA-N 1 0 378.476 4.153 50 0 GIAARO Cc1nn(C)c2ncc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc12 ZINC000032900680 570894826 /nfs/dbraw/zinc/89/48/26/570894826.db2.gz ILNVAXFVBGCXEO-UHFFFAOYSA-N 1 0 391.519 4.294 50 0 GIAARO Cc1ccc(-c2noc3ncnc(N4CCC([NH+]5CCCCC5)CC4)c23)cc1 ZINC000033269113 570894827 /nfs/dbraw/zinc/89/48/27/570894827.db2.gz QTRFFOWHSZITNP-UHFFFAOYSA-N 1 0 377.492 4.048 50 0 GIAARO CSCCCNC(=O)c1cccc(-c2ccc(C[NH+]3CCCCC3)cn2)c1 ZINC000534593171 570907434 /nfs/dbraw/zinc/90/74/34/570907434.db2.gz VJJJACRHUGCHQT-UHFFFAOYSA-N 1 0 383.561 4.217 50 0 GIAARO Cc1nc(C)c(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)s1 ZINC000032908702 570909410 /nfs/dbraw/zinc/90/94/10/570909410.db2.gz MPSGWUACODVHNF-UHFFFAOYSA-N 1 0 379.529 4.419 50 0 GIAARO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c1 ZINC000089689119 570909684 /nfs/dbraw/zinc/90/96/84/570909684.db2.gz TZOXLVMYNIDQGZ-JOCHJYFZSA-N 1 0 395.547 4.148 50 0 GIAARO CN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccnc3c(F)cc(F)cc23)cc1 ZINC000534638337 570912410 /nfs/dbraw/zinc/91/24/10/570912410.db2.gz SGDGEUODNIZLPH-UHFFFAOYSA-N 1 0 383.442 4.204 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)CC1 ZINC000023134249 570915186 /nfs/dbraw/zinc/91/51/86/570915186.db2.gz MPYOTEHHJBABDU-UHFFFAOYSA-N 1 0 387.483 4.483 50 0 GIAARO C[NH+](C)CCN(C(=O)CSc1ccccc1)c1nc2c(cccc2F)s1 ZINC000004585260 570916409 /nfs/dbraw/zinc/91/64/09/570916409.db2.gz DHVZAWYXZCPRNI-UHFFFAOYSA-N 1 0 389.521 4.122 50 0 GIAARO Fc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc(C(F)(F)F)c1 ZINC000097032574 570919838 /nfs/dbraw/zinc/91/98/38/570919838.db2.gz GTWNQXNBJVXEPZ-CQSZACIVSA-N 1 0 378.373 4.267 50 0 GIAARO C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)C1 ZINC000032932848 570945674 /nfs/dbraw/zinc/94/56/74/570945674.db2.gz KIIMRDIOGUSLAO-HNNXBMFYSA-N 1 0 378.925 4.373 50 0 GIAARO C[C@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000248381078 570967148 /nfs/dbraw/zinc/96/71/48/570967148.db2.gz SAURDOVVGVPZAG-JXFKEZNVSA-N 1 0 398.478 4.001 50 0 GIAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1 ZINC000252508208 570978575 /nfs/dbraw/zinc/97/85/75/570978575.db2.gz XGFNBFGCWZLLDM-UHFFFAOYSA-N 1 0 380.492 4.065 50 0 GIAARO Cc1ccc(NC(=O)COc2ccc(Br)cc2C[NH2+]C2CC2)cc1 ZINC000040739999 570998793 /nfs/dbraw/zinc/99/87/93/570998793.db2.gz IJHMOBWHTJIDOO-UHFFFAOYSA-N 1 0 389.293 4.027 50 0 GIAARO Cc1ccc(C)c(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)c1 ZINC000091350825 571004021 /nfs/dbraw/zinc/00/40/21/571004021.db2.gz NEWUAYMHKJICTC-UHFFFAOYSA-N 1 0 377.532 4.103 50 0 GIAARO CC(C)(C)n1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000091434906 571007565 /nfs/dbraw/zinc/00/75/65/571007565.db2.gz VMAIIZXNNRGNAI-GHTZIAJQSA-N 1 0 383.511 4.119 50 0 GIAARO CC(C)CCN1C[C@@]2(CCC[N@H+](Cc3cncn3C3CCCC3)C2)CCC1=O ZINC000091526780 571012434 /nfs/dbraw/zinc/01/24/34/571012434.db2.gz DJIYAZJBFFCFTQ-QHCPKHFHSA-N 1 0 386.584 4.249 50 0 GIAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000091624625 571019085 /nfs/dbraw/zinc/01/90/85/571019085.db2.gz COKAAZSFBITHDP-UHFFFAOYSA-N 1 0 376.504 4.149 50 0 GIAARO CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 ZINC000005044136 571023226 /nfs/dbraw/zinc/02/32/26/571023226.db2.gz VEAGHIUTBUYDPV-PBHICJAKSA-N 1 0 389.927 4.430 50 0 GIAARO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000084688921 571031026 /nfs/dbraw/zinc/03/10/26/571031026.db2.gz VDWLYYQKNNUWEP-FUHIMQAGSA-N 1 0 386.561 4.426 50 0 GIAARO C[C@@H]1C[NH+](Cc2ccc(CNCc3c(F)cccc3Cl)cc2)C[C@@H](C)O1 ZINC000084706357 571031892 /nfs/dbraw/zinc/03/18/92/571031892.db2.gz PVDPEGNRIXQXPA-HZPDHXFCSA-N 1 0 376.903 4.378 50 0 GIAARO Cc1ccc(-c2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)cc1 ZINC000019707380 571032806 /nfs/dbraw/zinc/03/28/06/571032806.db2.gz DXRXPRURXMIZTN-UHFFFAOYSA-N 1 0 377.517 4.474 50 0 GIAARO CCc1ccc(N(C(C)=O)C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000037587954 571034876 /nfs/dbraw/zinc/03/48/76/571034876.db2.gz KRRIRKAFCZNSIL-UHFFFAOYSA-N 1 0 396.531 4.284 50 0 GIAARO O=C(c1cccc(-c2ccco2)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095369655 571060377 /nfs/dbraw/zinc/06/03/77/571060377.db2.gz HBWGVRRBHZNECB-SIKLNZKXSA-N 1 0 387.483 4.078 50 0 GIAARO Cc1cc(C)c(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000095375766 571064125 /nfs/dbraw/zinc/06/41/25/571064125.db2.gz NNCIIROMNJZXLQ-OAQYLSRUSA-N 1 0 377.532 4.040 50 0 GIAARO O=C(c1cc2ccccc2[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095385535 571069904 /nfs/dbraw/zinc/06/99/04/571069904.db2.gz MTZWGARSRJGZOU-RBBKRZOGSA-N 1 0 387.527 4.337 50 0 GIAARO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000072294890 571095009 /nfs/dbraw/zinc/09/50/09/571095009.db2.gz VRAOOQYRYOMGMW-AVRDEDQJSA-N 1 0 376.504 4.365 50 0 GIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1 ZINC000002400806 817386955 /nfs/dbraw/zinc/38/69/55/817386955.db2.gz DUHPZVAZQUSFEI-NRFANRHFSA-N 1 0 390.483 4.070 50 0 GIAARO O=C(Nc1nnc(CC[NH+]2CCCCC2)s1)c1ccc(Cl)cc1Cl ZINC000002452881 817389940 /nfs/dbraw/zinc/38/99/40/817389940.db2.gz OGKHZDFYDUFQJT-UHFFFAOYSA-N 1 0 385.320 4.126 50 0 GIAARO COc1ccccc1NC(=S)N(CC[NH+]1CCCCCC1)Cc1ccco1 ZINC000003665529 817494044 /nfs/dbraw/zinc/49/40/44/817494044.db2.gz OTELCJHKYAVPFU-UHFFFAOYSA-N 1 0 387.549 4.363 50 0 GIAARO Fc1ccccc1NC(=S)N(CC[NH+]1CCCCCC1)Cc1ccco1 ZINC000003665647 817494253 /nfs/dbraw/zinc/49/42/53/817494253.db2.gz IGIAUROUWWRKGO-UHFFFAOYSA-N 1 0 375.513 4.494 50 0 GIAARO CC1CC[NH+](CCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)CC1 ZINC000004037582 817498775 /nfs/dbraw/zinc/49/87/75/817498775.db2.gz SLKSMRTUBKICIW-UHFFFAOYSA-N 1 0 391.519 4.492 50 0 GIAARO COc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccs2)cc1 ZINC000004193617 817509926 /nfs/dbraw/zinc/50/99/26/817509926.db2.gz DXHZYFIOCRMPQR-UHFFFAOYSA-N 1 0 389.590 4.442 50 0 GIAARO COc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccs2)c1 ZINC000004193198 817509964 /nfs/dbraw/zinc/50/99/64/817509964.db2.gz MDQRXVPSCGJYDJ-UHFFFAOYSA-N 1 0 389.590 4.442 50 0 GIAARO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(SC)cc2)c(OC)c1 ZINC000006158019 817664050 /nfs/dbraw/zinc/66/40/50/817664050.db2.gz BZDGCTZQNFLBHE-ZMBJWTFHSA-N 1 0 387.545 4.322 50 0 GIAARO O=C(CCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)NCc1ccc(F)cc1 ZINC000011819673 818124196 /nfs/dbraw/zinc/12/41/96/818124196.db2.gz MPGIFHCBDMBCHT-UHFFFAOYSA-N 1 0 394.494 4.011 50 0 GIAARO OC[C@]1(Cc2ccccc2F)CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011843571 818125575 /nfs/dbraw/zinc/12/55/75/818125575.db2.gz APPVLJQQOIORRP-VWLOTQADSA-N 1 0 396.550 4.107 50 0 GIAARO CC1(C)C[C@@H](C[NH+]2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)CCO1 ZINC000011873096 818126397 /nfs/dbraw/zinc/12/63/97/818126397.db2.gz NRNMAADUUKPQLV-NRFANRHFSA-N 1 0 398.591 4.269 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)Cc3cscn3)CC2)c(C)c1 ZINC000012020803 818137013 /nfs/dbraw/zinc/13/70/13/818137013.db2.gz AYOVGBIQQMANHK-HXUWFJFHSA-N 1 0 383.561 4.021 50 0 GIAARO CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000012048670 818138992 /nfs/dbraw/zinc/13/89/92/818138992.db2.gz KABPZWDZLRNUES-LJQANCHMSA-N 1 0 395.528 4.150 50 0 GIAARO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)o1 ZINC000012429974 818158635 /nfs/dbraw/zinc/15/86/35/818158635.db2.gz IJSBJCBLOBSJOP-KRWDZBQOSA-N 1 0 378.476 4.083 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccnc3)C2)c(-c2cccc(Cl)c2)n1 ZINC000012702714 818176921 /nfs/dbraw/zinc/17/69/21/818176921.db2.gz YRXRBRMWOGHGOV-SFHVURJKSA-N 1 0 394.906 4.230 50 0 GIAARO C[N@H+](Cc1cc(-c2ccccc2)on1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000015070528 818287418 /nfs/dbraw/zinc/28/74/18/818287418.db2.gz ISHHGIDZQCLOIX-QFIPXVFZSA-N 1 0 389.499 4.355 50 0 GIAARO Clc1ccccc1-c1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)o1 ZINC000019868023 818607739 /nfs/dbraw/zinc/60/77/39/818607739.db2.gz QDMXKNZNYSGCLO-IBGZPJMESA-N 1 0 398.894 4.101 50 0 GIAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000019939919 818608405 /nfs/dbraw/zinc/60/84/05/818608405.db2.gz XXFFITKWDFVHJA-KCSYZCLISA-N 1 0 397.582 4.237 50 0 GIAARO Cc1nc(C[N@@H+](C)[C@H]2CCC(=O)N(Cc3cccc(Cl)c3)CC2)cs1 ZINC000020271155 818617581 /nfs/dbraw/zinc/61/75/81/818617581.db2.gz YQGFCWPTWZLOOL-SFHVURJKSA-N 1 0 377.941 4.118 50 0 GIAARO Cc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CC[C@@H](c4ccccc4Cl)C3)c2)n1 ZINC000020256447 818617684 /nfs/dbraw/zinc/61/76/84/818617684.db2.gz KONHOJDMNFHHMX-GOSISDBHSA-N 1 0 379.891 4.388 50 0 GIAARO O[C@H](CSc1ccc(Cl)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020385191 818619705 /nfs/dbraw/zinc/61/97/05/818619705.db2.gz OJJXVDUENSWNSZ-SFHVURJKSA-N 1 0 397.371 4.269 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575464 818625757 /nfs/dbraw/zinc/62/57/57/818625757.db2.gz WAWVRCZGRHIALT-UHFFFAOYSA-N 1 0 384.483 4.111 50 0 GIAARO CC(C)[N@H+](CCNC(=O)c1cc2ccc3cccnc3c2[nH]1)Cc1ccccc1 ZINC000020575551 818625898 /nfs/dbraw/zinc/62/58/98/818625898.db2.gz PBEAZQKQRXOQQA-UHFFFAOYSA-N 1 0 386.499 4.357 50 0 GIAARO COc1ccccc1C[NH2+]Cc1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000020576813 818626072 /nfs/dbraw/zinc/62/60/72/818626072.db2.gz CMVVGFYOPPXQPF-UHFFFAOYSA-N 1 0 397.548 4.008 50 0 GIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3C=C12 ZINC000020755874 818630627 /nfs/dbraw/zinc/63/06/27/818630627.db2.gz DUGACSPHBUDFSB-SWXWDQRWSA-N 1 0 398.591 4.171 50 0 GIAARO CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000020889657 818636029 /nfs/dbraw/zinc/63/60/29/818636029.db2.gz GUZOPJONXMJAJM-UHFFFAOYSA-N 1 0 381.520 4.427 50 0 GIAARO Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c1 ZINC000021171887 818661007 /nfs/dbraw/zinc/66/10/07/818661007.db2.gz VBABWUFDQQOYDM-IBGZPJMESA-N 1 0 390.531 4.125 50 0 GIAARO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1Br ZINC000021175416 818661357 /nfs/dbraw/zinc/66/13/57/818661357.db2.gz VURHHCZOLQIUSX-AWEZNQCLSA-N 1 0 380.330 4.144 50 0 GIAARO COc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000021174810 818661404 /nfs/dbraw/zinc/66/14/04/818661404.db2.gz KTTNHZHXSRVNEF-UHFFFAOYSA-N 1 0 387.911 4.382 50 0 GIAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCN2CCC[C@H](c3ccccc3)C2)c(F)c1 ZINC000023368348 818928938 /nfs/dbraw/zinc/92/89/38/818928938.db2.gz XDJIQBCMYFVSQG-SFHVURJKSA-N 1 0 396.485 4.324 50 0 GIAARO O=C(/C=C/c1nc2ccccc2o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024317093 819045099 /nfs/dbraw/zinc/04/50/99/819045099.db2.gz HXBZKNMVTKHCLE-OUKQBFOZSA-N 1 0 397.478 4.339 50 0 GIAARO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000040002597 821124678 /nfs/dbraw/zinc/12/46/78/821124678.db2.gz SMRRDNWVGJSIGV-ZIAGYGMSSA-N 1 0 391.309 4.444 50 0 GIAARO COc1ccccc1[C@@H](CNc1nc(-c2ccncc2)nc2ccccc21)[NH+](C)C ZINC000040040259 821127002 /nfs/dbraw/zinc/12/70/02/821127002.db2.gz NKVBLRKGHXNGRN-OAQYLSRUSA-N 1 0 399.498 4.415 50 0 GIAARO COc1cccc([C@H](CNC(=O)c2sc(C(C)C)nc2C)[NH+]2CCCC2)c1 ZINC000040093795 821135677 /nfs/dbraw/zinc/13/56/77/821135677.db2.gz BRQMIMOMTFLMTB-SFHVURJKSA-N 1 0 387.549 4.150 50 0 GIAARO Cc1ccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000040095383 821136322 /nfs/dbraw/zinc/13/63/22/821136322.db2.gz XKIQETHUEHXEKG-KDURUIRLSA-N 1 0 381.520 4.234 50 0 GIAARO CC(=O)c1cc(CCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)oc1C ZINC000040107137 821139591 /nfs/dbraw/zinc/13/95/91/821139591.db2.gz NQCLJMUVEAGCBS-KRWDZBQOSA-N 1 0 396.531 4.414 50 0 GIAARO CN(C)C(=O)c1cccc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000060468950 823531556 /nfs/dbraw/zinc/53/15/56/823531556.db2.gz WXSUFCAMVPVDPH-UHFFFAOYSA-N 1 0 377.463 4.298 50 0 GIAARO CN(c1ccc(NC(=O)N2CCC(C[NH+](C)C)CC2)cc1F)C1CCCCC1 ZINC000040151188 821150279 /nfs/dbraw/zinc/15/02/79/821150279.db2.gz JFLQXRHSTADLHX-UHFFFAOYSA-N 1 0 390.547 4.400 50 0 GIAARO O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181945746 822042340 /nfs/dbraw/zinc/04/23/40/822042340.db2.gz SGZNHUHAAWGJPV-FQEVSTJZSA-N 1 0 386.442 4.073 50 0 GIAARO C[NH2+]C[C@H]1CCN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1 ZINC000179007369 822429271 /nfs/dbraw/zinc/42/92/71/822429271.db2.gz MGVROLMUPLZFJG-SECBINFHSA-N 1 0 376.831 4.255 50 0 GIAARO Cc1ccc(C[N@@H+](C)Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)o1 ZINC000048297800 822652280 /nfs/dbraw/zinc/65/22/80/822652280.db2.gz SPUOTHPJYFIVEY-UHFFFAOYSA-N 1 0 386.455 4.032 50 0 GIAARO Clc1cccnc1OC1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000186514262 822907273 /nfs/dbraw/zinc/90/72/73/822907273.db2.gz GASIZLCDFOSCFP-UHFFFAOYSA-N 1 0 386.927 4.210 50 0 GIAARO O=C(Nc1cccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)c1)[C@@H]1CCCO1 ZINC000186605634 822922554 /nfs/dbraw/zinc/92/25/54/822922554.db2.gz LQHKOQURLKMMOI-PVARCSIZSA-N 1 0 384.442 4.262 50 0 GIAARO COc1ccc(CCC(=O)N2CCC[C@@H](n3c(C)c[nH+]c3C3CCC3)C2)cc1 ZINC000575547466 823975576 /nfs/dbraw/zinc/97/55/76/823975576.db2.gz CWTYKXYWCKEEHJ-HXUWFJFHSA-N 1 0 381.520 4.264 50 0 GIAARO CO[C@]12CC[N@H+](Cc3cc(F)cc(Cl)c3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426381428 231211049 /nfs/dbraw/zinc/21/10/49/231211049.db2.gz JXJIIOHTEXGTMJ-IRFCIJBXSA-N 1 0 390.886 4.465 50 0 GIAARO O=C(NC[C@H]1CCCCO1)c1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000426386858 231212514 /nfs/dbraw/zinc/21/25/14/231212514.db2.gz FSSPYITVWUCVIT-HSZRJFAPSA-N 1 0 378.516 4.248 50 0 GIAARO C[C@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000225411818 222675632 /nfs/dbraw/zinc/67/56/32/222675632.db2.gz ZQGZUMOMMCYHAA-HTAPYJJXSA-N 1 0 394.519 4.016 50 0 GIAARO COc1ccc2c(C)nc(N3CCC([NH2+]CCc4ccc(C)cc4)CC3)nc2c1 ZINC000299758271 222784623 /nfs/dbraw/zinc/78/46/23/222784623.db2.gz NTKFRZLLUGWCNS-UHFFFAOYSA-N 1 0 390.531 4.056 50 0 GIAARO Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C)CC2)c1 ZINC000001447565 212246063 /nfs/dbraw/zinc/24/60/63/212246063.db2.gz HTKNYZFSOLFHKB-UHFFFAOYSA-N 1 0 383.499 4.148 50 0 GIAARO CCOC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000001191747 212227203 /nfs/dbraw/zinc/22/72/03/212227203.db2.gz WOQZROCEBJQFCD-LJQANCHMSA-N 1 0 387.277 4.467 50 0 GIAARO COc1ccc(OC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000000864189 212192019 /nfs/dbraw/zinc/19/20/19/212192019.db2.gz CGJKZWCNKHETJC-QFIPXVFZSA-N 1 0 377.484 4.137 50 0 GIAARO COc1ccc(C(=O)C[C@H]2CCC[C@@H](CC(=O)c3ccc(OC)cc3)[N@@H+]2C)cc1 ZINC000000640252 212167926 /nfs/dbraw/zinc/16/79/26/212167926.db2.gz IOQZTVDSEMCPFD-BGYRXZFFSA-N 1 0 395.499 4.403 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)/C=C\c2ccccc2OC(F)F)[NH+]2CCCC2)o1 ZINC000096315884 212155586 /nfs/dbraw/zinc/15/55/86/212155586.db2.gz LSWYDHJMYTYHBB-FPISAVPCSA-N 1 0 390.430 4.156 50 0 GIAARO COc1ccc2[nH]c(C)c(CC[NH2+]C[C@@H](C)Cc3ccc4c(c3)OCO4)c2c1 ZINC000002545797 220541560 /nfs/dbraw/zinc/54/15/60/220541560.db2.gz WXKCLGABIUMQDF-HNNXBMFYSA-N 1 0 380.488 4.225 50 0 GIAARO c1ccc(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)cc2)cc1 ZINC000007540279 221001152 /nfs/dbraw/zinc/00/11/52/221001152.db2.gz JSEJGEUQKQTLSP-UHFFFAOYSA-N 1 0 387.512 4.211 50 0 GIAARO CCOCc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012301 221023573 /nfs/dbraw/zinc/02/35/73/221023573.db2.gz QGDKVPSYSFVIMJ-UHFFFAOYSA-N 1 0 392.499 4.495 50 0 GIAARO Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008039905 221025171 /nfs/dbraw/zinc/02/51/71/221025171.db2.gz KBZOEAVLCPIMHV-UHFFFAOYSA-N 1 0 392.528 4.039 50 0 GIAARO CCOc1cc(CNCCC[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000008254683 221032812 /nfs/dbraw/zinc/03/28/12/221032812.db2.gz BKDVPHJUBFVZMP-UHFFFAOYSA-N 1 0 376.928 4.359 50 0 GIAARO C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000008247467 221033258 /nfs/dbraw/zinc/03/32/58/221033258.db2.gz XPGOGJVZJDRDFC-JTQLQIEISA-N 1 0 394.270 4.396 50 0 GIAARO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCC(=O)NC(C)(C)C ZINC000008254403 221033479 /nfs/dbraw/zinc/03/34/79/221033479.db2.gz XOXZVEPVEQHNQQ-UHFFFAOYSA-N 1 0 376.541 4.191 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008327028 221037053 /nfs/dbraw/zinc/03/70/53/221037053.db2.gz ADXNCEHJDBXEAX-MRXNPFEDSA-N 1 0 384.303 4.442 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)[NH+]2CCCC2)cc1 ZINC000008325682 221037072 /nfs/dbraw/zinc/03/70/72/221037072.db2.gz RDDFFGLJJKNGGZ-QHCPKHFHSA-N 1 0 391.515 4.360 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008326328 221037439 /nfs/dbraw/zinc/03/74/39/221037439.db2.gz WERGFMMVZWPOFV-AWEZNQCLSA-N 1 0 384.303 4.442 50 0 GIAARO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008395343 221039671 /nfs/dbraw/zinc/03/96/71/221039671.db2.gz ARUMYUWLGIWRSA-FXAWDEMLSA-N 1 0 384.520 4.298 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCC3)[NH+]2CCCCC2)cc1 ZINC000007988425 221021636 /nfs/dbraw/zinc/02/16/36/221021636.db2.gz WXQMFUJYKUOKKQ-HSZRJFAPSA-N 1 0 378.516 4.141 50 0 GIAARO CCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000008613306 221046973 /nfs/dbraw/zinc/04/69/73/221046973.db2.gz KBMRULHOPKMGBK-HSZRJFAPSA-N 1 0 396.531 4.441 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000009379505 221079279 /nfs/dbraw/zinc/07/92/79/221079279.db2.gz FWTRAEGZKCQBFY-GOSISDBHSA-N 1 0 376.504 4.020 50 0 GIAARO C[N@@H+]1CCN(c2nc(-c3cccnc3)nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000009513267 221083054 /nfs/dbraw/zinc/08/30/54/221083054.db2.gz TUKIZYSTUZROJS-QFIPXVFZSA-N 1 0 381.483 4.185 50 0 GIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000009549104 221084919 /nfs/dbraw/zinc/08/49/19/221084919.db2.gz RWZNZXATDCOPMC-CQSZACIVSA-N 1 0 381.451 4.250 50 0 GIAARO COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000008986015 221067250 /nfs/dbraw/zinc/06/72/50/221067250.db2.gz OCFBFJCVOCDJKM-NRFANRHFSA-N 1 0 386.923 4.235 50 0 GIAARO CC1(C)CC(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC(C)(C)[NH2+]1 ZINC000009061825 221068779 /nfs/dbraw/zinc/06/87/79/221068779.db2.gz IHFVBIUHMPNMGF-UHFFFAOYSA-N 1 0 378.582 4.322 50 0 GIAARO C/C=C/c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1 ZINC000009054610 221069378 /nfs/dbraw/zinc/06/93/78/221069378.db2.gz NHORONSFDQIDIO-ZZXKWVIFSA-N 1 0 380.488 4.342 50 0 GIAARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(C)cc3)C[C@H]21 ZINC000010214314 221098584 /nfs/dbraw/zinc/09/85/84/221098584.db2.gz SGGYMWUEUUCHAV-OAQYLSRUSA-N 1 0 391.515 4.359 50 0 GIAARO CC(=O)N1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1 ZINC000011760540 221125341 /nfs/dbraw/zinc/12/53/41/221125341.db2.gz PDSZOGQLBDTKRZ-UHFFFAOYSA-N 1 0 394.563 4.189 50 0 GIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4ccc(C)cc4)CC3)on2)c1 ZINC000011817662 221127774 /nfs/dbraw/zinc/12/77/74/221127774.db2.gz SMAFRXFQYXDNLH-UHFFFAOYSA-N 1 0 392.499 4.228 50 0 GIAARO Fc1cccc(-c2n[nH]c3c2CN(C2CC[NH+](Cc4ccccc4)CC2)CC3)c1 ZINC000011818643 221128144 /nfs/dbraw/zinc/12/81/44/221128144.db2.gz ZJYQAPIAJWTKQM-UHFFFAOYSA-N 1 0 390.506 4.239 50 0 GIAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)c(C)n1 ZINC000011815690 221128455 /nfs/dbraw/zinc/12/84/55/221128455.db2.gz ANYWJCWDNYRNHG-LJQANCHMSA-N 1 0 392.503 4.322 50 0 GIAARO Cc1ccc(-n2cc(C[N@H+](C)CCc3cn[nH]c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011839893 221131218 /nfs/dbraw/zinc/13/12/18/221131218.db2.gz FODSPWFLEDFXBS-UHFFFAOYSA-N 1 0 389.478 4.384 50 0 GIAARO OC[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000011844002 221131673 /nfs/dbraw/zinc/13/16/73/221131673.db2.gz JPZRBEGCIGESAD-DEOSSOPVSA-N 1 0 376.500 4.278 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000011842612 221131732 /nfs/dbraw/zinc/13/17/32/221131732.db2.gz WJEHOBVHOIIEKY-NRFANRHFSA-N 1 0 375.516 4.224 50 0 GIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](C/C=C/C(C)C)C2)c(OC)c1 ZINC000011841800 221132662 /nfs/dbraw/zinc/13/26/62/221132662.db2.gz OOXBZZCCWFNLJF-WSSFADSRSA-N 1 0 388.552 4.024 50 0 GIAARO C=Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1 ZINC000011843487 221132780 /nfs/dbraw/zinc/13/27/80/221132780.db2.gz WIYYGUPYRZGVHE-HXUWFJFHSA-N 1 0 380.507 4.495 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)Nc1ccccc1 ZINC000011878618 221134310 /nfs/dbraw/zinc/13/43/10/221134310.db2.gz GHBWLIJOVMHVKR-UHFFFAOYSA-N 1 0 380.488 4.089 50 0 GIAARO Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)c2)c1 ZINC000011878962 221135005 /nfs/dbraw/zinc/13/50/05/221135005.db2.gz LQINXYXPGINZGR-JOCHJYFZSA-N 1 0 388.515 4.246 50 0 GIAARO COc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c(Cl)cc1O ZINC000011874306 221135053 /nfs/dbraw/zinc/13/50/53/221135053.db2.gz QDSQAMLKBUJIRK-NRFANRHFSA-N 1 0 393.886 4.011 50 0 GIAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](C/C=C/c2ccco2)CC1 ZINC000011933429 221137302 /nfs/dbraw/zinc/13/73/02/221137302.db2.gz LFBJODFKSDODOS-QHHAFSJGSA-N 1 0 376.460 4.034 50 0 GIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)COc1ccccc1 ZINC000011934790 221138489 /nfs/dbraw/zinc/13/84/89/221138489.db2.gz LHIGYUMHHTWQME-NRFANRHFSA-N 1 0 398.522 4.008 50 0 GIAARO CN(C)C(=O)c1ccc(N2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)cc1 ZINC000011965695 221140444 /nfs/dbraw/zinc/14/04/44/221140444.db2.gz BOVJTBAREIREKX-QHCPKHFHSA-N 1 0 377.532 4.024 50 0 GIAARO COC[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000011999860 221142500 /nfs/dbraw/zinc/14/25/00/221142500.db2.gz FRFMKDKBCHSKKO-QGZVFWFLSA-N 1 0 383.467 4.438 50 0 GIAARO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)O1 ZINC000011996525 221142696 /nfs/dbraw/zinc/14/26/96/221142696.db2.gz VDFONPYPGHTLAJ-HSZRJFAPSA-N 1 0 394.515 4.129 50 0 GIAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1)N1CCOCC1 ZINC000012020004 221143465 /nfs/dbraw/zinc/14/34/65/221143465.db2.gz WKBGJVYWMXXPEG-OAQYLSRUSA-N 1 0 392.543 4.205 50 0 GIAARO CC(=O)c1ccccc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012031140 221143599 /nfs/dbraw/zinc/14/35/99/221143599.db2.gz AFZDULIQHFOJTM-IBGZPJMESA-N 1 0 396.506 4.055 50 0 GIAARO CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012050066 221144635 /nfs/dbraw/zinc/14/46/35/221144635.db2.gz XDENKGIQLJTPEI-FQEVSTJZSA-N 1 0 390.449 4.485 50 0 GIAARO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3cccc(F)c3)CC2)cc1C ZINC000012100334 221150571 /nfs/dbraw/zinc/15/05/71/221150571.db2.gz ZQRNYVUYYFBZDT-HXUWFJFHSA-N 1 0 382.479 4.384 50 0 GIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000012304059 221177995 /nfs/dbraw/zinc/17/79/95/221177995.db2.gz ZUZSWCLCCOQRTQ-SFHVURJKSA-N 1 0 377.444 4.318 50 0 GIAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1 ZINC000012301849 221178590 /nfs/dbraw/zinc/17/85/90/221178590.db2.gz SLYASSPXDKGDJI-JOCHJYFZSA-N 1 0 392.547 4.416 50 0 GIAARO Cc1cc(C)c(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)c(-n2cccn2)c1 ZINC000012319796 221180700 /nfs/dbraw/zinc/18/07/00/221180700.db2.gz JQICVNXAFICFBB-OAQYLSRUSA-N 1 0 398.514 4.237 50 0 GIAARO CCCC[N@H+](C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000012317541 221180793 /nfs/dbraw/zinc/18/07/93/221180793.db2.gz JRIMGLBRSUXQIP-UHFFFAOYSA-N 1 0 392.547 4.189 50 0 GIAARO O=C(NCCCc1ccccc1)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC000012203846 221168226 /nfs/dbraw/zinc/16/82/26/221168226.db2.gz YOPNJHISRIBKAF-QFIPXVFZSA-N 1 0 398.497 4.316 50 0 GIAARO Cc1cccc(C[NH2+]C2CCN(c3ccc(NC(=O)C4CCCC4)cc3)CC2)n1 ZINC000012243145 221173577 /nfs/dbraw/zinc/17/35/77/221173577.db2.gz AHTWXJLMSGQGKA-UHFFFAOYSA-N 1 0 392.547 4.277 50 0 GIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000012431947 221193758 /nfs/dbraw/zinc/19/37/58/221193758.db2.gz FAVPOFGLNIDHFP-XMMPIXPASA-N 1 0 393.506 4.219 50 0 GIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)C1)c1cccs1 ZINC000012445828 221196718 /nfs/dbraw/zinc/19/67/18/221196718.db2.gz AIGWZGTWBZZRPF-INIZCTEOSA-N 1 0 386.565 4.161 50 0 GIAARO Cc1ccc(C)c(N2CC[NH+](Cc3cc(=O)oc4cc(C)cc(C)c34)CC2)c1 ZINC000012447233 221196826 /nfs/dbraw/zinc/19/68/26/221196826.db2.gz GGEZLRWSCGBGEW-UHFFFAOYSA-N 1 0 376.500 4.349 50 0 biogenic,in-vitro GIAARO O=C(NC[C@H]1CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)C1)c1cccs1 ZINC000012445830 221196993 /nfs/dbraw/zinc/19/69/93/221196993.db2.gz AIGWZGTWBZZRPF-MRXNPFEDSA-N 1 0 386.565 4.161 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4oc(C)cc4C)C3)C2)c1 ZINC000012458277 221198445 /nfs/dbraw/zinc/19/84/45/221198445.db2.gz GZBDUHBQQRLMIC-HSZRJFAPSA-N 1 0 382.504 4.033 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012520557 221201456 /nfs/dbraw/zinc/20/14/56/221201456.db2.gz GLMZVQDXGSECEE-UHFFFAOYSA-N 1 0 394.906 4.256 50 0 GIAARO CN(C(=O)c1cc2sccc2[nH]1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012585326 221210196 /nfs/dbraw/zinc/21/01/96/221210196.db2.gz MGMZXVGRERRBBF-SFHVURJKSA-N 1 0 381.545 4.399 50 0 GIAARO Fc1cccc(-c2cnnc(NC[C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000012385331 221187866 /nfs/dbraw/zinc/18/78/66/221187866.db2.gz HAUFTMZIJIXHTP-LJQANCHMSA-N 1 0 391.494 4.044 50 0 GIAARO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000012693173 221218271 /nfs/dbraw/zinc/21/82/71/221218271.db2.gz BCORDSVEBVCLLQ-UHFFFAOYSA-N 1 0 386.517 4.405 50 0 GIAARO COc1ccc(-n2cc(C[NH2+]C3CCOCC3)c(-c3ccccc3Cl)n2)cc1 ZINC000012705361 221218839 /nfs/dbraw/zinc/21/88/39/221218839.db2.gz UFZBDRIFZIJRIM-UHFFFAOYSA-N 1 0 397.906 4.470 50 0 GIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000012708926 221219702 /nfs/dbraw/zinc/21/97/02/221219702.db2.gz LLPVVEBKMYZRMZ-FQEVSTJZSA-N 1 0 379.422 4.402 50 0 GIAARO COCCN(Cc1cccc(F)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012712731 221221186 /nfs/dbraw/zinc/22/11/86/221221186.db2.gz OPXLMMNTEGECSV-OAQYLSRUSA-N 1 0 396.550 4.154 50 0 GIAARO O=C(c1ccc(OC2CC[NH+](CCCc3ccccc3)CC2)cc1)N1CCCC1 ZINC000012588086 221211290 /nfs/dbraw/zinc/21/12/90/221211290.db2.gz MKZUZLCVCIGQRX-UHFFFAOYSA-N 1 0 392.543 4.399 50 0 GIAARO CCC[N@@H+](Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C)C[C@H]1CCCO1 ZINC000012758058 221226953 /nfs/dbraw/zinc/22/69/53/221226953.db2.gz LYZZTJKQDZETPW-QGZVFWFLSA-N 1 0 388.508 4.367 50 0 GIAARO Cc1noc2nc(C)cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)c12 ZINC000012912055 221244848 /nfs/dbraw/zinc/24/48/48/221244848.db2.gz NYLAAWLHBPBRDQ-KRWDZBQOSA-N 1 0 398.532 4.104 50 0 GIAARO O=C(/C=C/c1nc2ccccc2s1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000012815064 221236310 /nfs/dbraw/zinc/23/63/10/221236310.db2.gz VTLACJUJOQLOTL-SCOAYWHSSA-N 1 0 383.542 4.324 50 0 GIAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1C ZINC000012835751 221236718 /nfs/dbraw/zinc/23/67/18/221236718.db2.gz MEARVJWBQVXWIO-FQEVSTJZSA-N 1 0 394.515 4.365 50 0 GIAARO CC[NH+](CC)[C@@H](CNc1nnc(-c2ccccc2)nn1)c1ccccc1Cl ZINC000012822126 221237308 /nfs/dbraw/zinc/23/73/08/221237308.db2.gz BNHUCKZQZOXLOR-SFHVURJKSA-N 1 0 382.899 4.082 50 0 GIAARO CC(=O)c1ccccc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012946344 221249457 /nfs/dbraw/zinc/24/94/57/221249457.db2.gz XJCRTLKGGLNAED-UHFFFAOYSA-N 1 0 394.471 4.001 50 0 GIAARO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cc(C)ccc2C)c1 ZINC000012909020 221245285 /nfs/dbraw/zinc/24/52/85/221245285.db2.gz ZDRRFTRIRYGAHH-SFHVURJKSA-N 1 0 381.520 4.075 50 0 GIAARO CCc1ccc([C@@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)[NH+](C)C)cc1 ZINC000013097256 221261011 /nfs/dbraw/zinc/26/10/11/221261011.db2.gz ZEASCBDEVAUHII-HXUWFJFHSA-N 1 0 396.922 4.163 50 0 GIAARO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C[C@@H](O)c1ccccc1)CC2 ZINC000013128314 221261935 /nfs/dbraw/zinc/26/19/35/221261935.db2.gz FJFFCYJYGDSGJR-AUSIDOKSSA-N 1 0 395.524 4.446 50 0 GIAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCCN2CCCC2=O)o1 ZINC000013727991 221285470 /nfs/dbraw/zinc/28/54/70/221285470.db2.gz PUMBZYQVSIWEHK-UHFFFAOYSA-N 1 0 391.309 4.120 50 0 GIAARO CCOc1cccc(CNCCC[NH+](C)C)c1OCc1ccc(Cl)cc1 ZINC000013736374 221287494 /nfs/dbraw/zinc/28/74/94/221287494.db2.gz WUVBNSYVGPRSIK-UHFFFAOYSA-N 1 0 376.928 4.359 50 0 GIAARO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000014077356 221298632 /nfs/dbraw/zinc/29/86/32/221298632.db2.gz ZUEHQQRQNOGCOM-MGPUTAFESA-N 1 0 389.517 4.336 50 0 GIAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccc2c(c1)OCCCO2 ZINC000014165251 221301370 /nfs/dbraw/zinc/30/13/70/221301370.db2.gz HZCDCCYHIBFMHV-DEOSSOPVSA-N 1 0 394.515 4.262 50 0 GIAARO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)o1 ZINC000014965707 221321866 /nfs/dbraw/zinc/32/18/66/221321866.db2.gz GXVBEILWXVWSIS-UHFFFAOYSA-N 1 0 396.466 4.267 50 0 GIAARO Cc1ccc(-n2cc(C[NH2+]CCc3cnccn3)c(-c3cccc(C)c3)n2)cc1 ZINC000014975957 221322946 /nfs/dbraw/zinc/32/29/46/221322946.db2.gz JJPYETARGOXYNX-UHFFFAOYSA-N 1 0 383.499 4.278 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2cccc(-n3cccn3)c2)cnn1-c1ccc(F)cc1F ZINC000014978515 221323049 /nfs/dbraw/zinc/32/30/49/221323049.db2.gz LXGMDSHPJFAIOK-HNNXBMFYSA-N 1 0 393.441 4.495 50 0 GIAARO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000014672800 221314306 /nfs/dbraw/zinc/31/43/06/221314306.db2.gz AFPPFQLETSBRKQ-UHFFFAOYSA-N 1 0 376.500 4.018 50 0 GIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000014949531 221318706 /nfs/dbraw/zinc/31/87/06/221318706.db2.gz LPTPDCXJDMERPT-SFHVURJKSA-N 1 0 393.512 4.366 50 0 GIAARO CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000014991270 221324589 /nfs/dbraw/zinc/32/45/89/221324589.db2.gz HSWTZVMVBMXFJF-NFBKMPQASA-N 1 0 381.564 4.460 50 0 GIAARO CCSc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000015062211 221328176 /nfs/dbraw/zinc/32/81/76/221328176.db2.gz UXSLPGATTHBNRG-QHCPKHFHSA-N 1 0 396.604 4.119 50 0 GIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccoc1C ZINC000015070136 221329099 /nfs/dbraw/zinc/32/90/99/221329099.db2.gz JFAJGGGZNCOLQX-FQEVSTJZSA-N 1 0 384.520 4.013 50 0 GIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)oc2C)C1 ZINC000015073011 221330544 /nfs/dbraw/zinc/33/05/44/221330544.db2.gz VXMGPULFLNHOTC-MRXNPFEDSA-N 1 0 389.927 4.384 50 0 GIAARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000015071638 221331039 /nfs/dbraw/zinc/33/10/39/221331039.db2.gz UTXOYQMARXARTH-IBGZPJMESA-N 1 0 378.520 4.437 50 0 GIAARO COc1ccc(-c2nc3ccccc3c(NCC[NH+]3CCC(C)CC3)n2)cc1 ZINC000015781619 221344411 /nfs/dbraw/zinc/34/44/11/221344411.db2.gz XKDQSSRZSLOFPA-UHFFFAOYSA-N 1 0 376.504 4.449 50 0 GIAARO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862298 221350409 /nfs/dbraw/zinc/35/04/09/221350409.db2.gz SXPUBEOKWNENCN-UHFFFAOYSA-N 1 0 384.907 4.447 50 0 GIAARO Cc1cc(C)n(CCC[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)n1 ZINC000017312125 221383456 /nfs/dbraw/zinc/38/34/56/221383456.db2.gz ZQBQMBJPQDZWBA-UHFFFAOYSA-N 1 0 392.334 4.481 50 0 GIAARO COc1ccc([C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+](C)C)cc1 ZINC000018177773 221388505 /nfs/dbraw/zinc/38/85/05/221388505.db2.gz DBUBQMMJGWKLKI-KRWDZBQOSA-N 1 0 382.291 4.426 50 0 GIAARO Cn1cc(C[NH2+]CCN2CCCCC2=O)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000020997969 221523527 /nfs/dbraw/zinc/52/35/27/221523527.db2.gz JBSGWJJMKVXNPE-UHFFFAOYSA-N 1 0 394.563 4.237 50 0 GIAARO Cc1cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(=O)n1Cc1ccco1 ZINC000021098254 221525952 /nfs/dbraw/zinc/52/59/52/221525952.db2.gz OPFNBADYICYCBD-QFIPXVFZSA-N 1 0 396.462 4.218 50 0 aggregator GIAARO Cc1cc(C)cc(N2CCC([N@@H+]3CCC[C@@H](CCC(=O)N4CCCC4)C3)CC2)c1 ZINC000039363341 136153705 /nfs/dbraw/zinc/15/37/05/136153705.db2.gz IOVYFPJTEJEJCV-QFIPXVFZSA-N 1 0 397.607 4.387 50 0 GIAARO Cc1ccccc1C[NH+]1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000058170558 136154886 /nfs/dbraw/zinc/15/48/86/136154886.db2.gz XRSVBYVMILPCTQ-UHFFFAOYSA-N 1 0 395.510 4.322 50 0 GIAARO CCc1cc(C[N@@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)on1 ZINC000072424397 136169785 /nfs/dbraw/zinc/16/97/85/136169785.db2.gz WVLMIIWUWJHHQX-UHFFFAOYSA-N 1 0 394.441 4.286 50 0 GIAARO Cc1cc2c(ncnc2N2CCC([NH2+]CCCOc3ccccc3)CC2)s1 ZINC000095531276 136181839 /nfs/dbraw/zinc/18/18/39/136181839.db2.gz JBLGYPRTPJYSCN-UHFFFAOYSA-N 1 0 382.533 4.027 50 0 GIAARO O=C(Nc1cccc(C[NH2+]Cc2cccc(OCc3ccccn3)c2)c1)C1CC1 ZINC000030629147 221702040 /nfs/dbraw/zinc/70/20/40/221702040.db2.gz VLMTYXZLSPKXQB-UHFFFAOYSA-N 1 0 387.483 4.299 50 0 GIAARO O=C(/C=C/c1ccccc1OC(F)F)NCc1ccccc1C[NH+]1CCCC1 ZINC000036694613 221863377 /nfs/dbraw/zinc/86/33/77/221863377.db2.gz VJSOARFPRWFKNR-VAWYXSNFSA-N 1 0 386.442 4.213 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000039979595 221894238 /nfs/dbraw/zinc/89/42/38/221894238.db2.gz MIMUTVNMHSRQOW-QFIPXVFZSA-N 1 0 378.520 4.399 50 0 GIAARO COCC[NH2+]Cc1cc(Br)c(OCc2ccccc2C)c(OC)c1 ZINC000040733530 221928178 /nfs/dbraw/zinc/92/81/78/221928178.db2.gz IZDSZHBJQULZEI-UHFFFAOYSA-N 1 0 394.309 4.081 50 0 GIAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCc3cc(Br)ccc32)o1 ZINC000056996827 222028654 /nfs/dbraw/zinc/02/86/54/222028654.db2.gz UNIQTGXTKLAILY-QGZVFWFLSA-N 1 0 391.309 4.301 50 0 GIAARO Cc1cccc(C[NH+]2CCC(NC(=O)CCc3ccc(Cl)s3)CC2)c1 ZINC000053506768 222011401 /nfs/dbraw/zinc/01/14/01/222011401.db2.gz HAVCSAVCSYUICG-UHFFFAOYSA-N 1 0 376.953 4.423 50 0 GIAARO CC[C@@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1cnc(NCc2ccccc2)nc1 ZINC000055182732 222015897 /nfs/dbraw/zinc/01/58/97/222015897.db2.gz XPMJGADOISTGIX-QFIPXVFZSA-N 1 0 394.494 4.001 50 0 GIAARO CCN(Cc1cccc(C)n1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055254586 222017692 /nfs/dbraw/zinc/01/76/92/222017692.db2.gz FTZBIQOQBQYNHM-QFIPXVFZSA-N 1 0 381.564 4.175 50 0 GIAARO CN(C(=O)c1cc2ccccc2s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000058192999 222044647 /nfs/dbraw/zinc/04/46/47/222044647.db2.gz FPQWMRYNEULCSE-UHFFFAOYSA-N 1 0 379.529 4.075 50 0 GIAARO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000058217905 222045008 /nfs/dbraw/zinc/04/50/08/222045008.db2.gz HAIRCOFRSFMERV-SFNKJDCFSA-N 1 0 378.944 4.280 50 0 GIAARO O=C(Nc1cccc(OCCc2ccccc2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058216508 222045845 /nfs/dbraw/zinc/04/58/45/222045845.db2.gz USJHPGYQCWAUIC-QFIPXVFZSA-N 1 0 393.531 4.400 50 0 GIAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000058355699 222050438 /nfs/dbraw/zinc/05/04/38/222050438.db2.gz PGGGFYNBGJFQQM-OAHLLOKOSA-N 1 0 393.369 4.107 50 0 GIAARO O=C(CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)NC1CCCCC1 ZINC000058414195 222052781 /nfs/dbraw/zinc/05/27/81/222052781.db2.gz UVSOAEKAXDHWKN-UHFFFAOYSA-N 1 0 376.928 4.074 50 0 GIAARO O=C(CCOc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058553675 222054396 /nfs/dbraw/zinc/05/43/96/222054396.db2.gz HBKXVYOWSRNZOP-UHFFFAOYSA-N 1 0 390.886 4.029 50 0 GIAARO O[C@@H](CN1CCC[N@H+](Cc2cccs2)CC1)c1ccccc1C(F)(F)F ZINC000060468461 222060143 /nfs/dbraw/zinc/06/01/43/222060143.db2.gz GVEHOPFGXGFTAI-SFHVURJKSA-N 1 0 384.467 4.008 50 0 GIAARO CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000064593978 222076527 /nfs/dbraw/zinc/07/65/27/222076527.db2.gz PIYGNJAEBHTLIS-UHFFFAOYSA-N 1 0 389.543 4.346 50 0 GIAARO CC[NH+](CC)CCNC(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)cs1 ZINC000064677209 222079305 /nfs/dbraw/zinc/07/93/05/222079305.db2.gz VLZLXXIFOMRTDD-UHFFFAOYSA-N 1 0 396.560 4.045 50 0 GIAARO O=C(NCc1ccc(F)c(Cl)c1)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818088 222083431 /nfs/dbraw/zinc/08/34/31/222083431.db2.gz QHCAGYVRUMBPLG-UHFFFAOYSA-N 1 0 376.834 4.067 50 0 GIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968128 222090551 /nfs/dbraw/zinc/09/05/51/222090551.db2.gz ZOBLYHSBTAMRLG-UHFFFAOYSA-N 1 0 391.515 4.219 50 0 GIAARO COc1ccc([C@@H]2CC(c3ccccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)cc1 ZINC000065298536 222121673 /nfs/dbraw/zinc/12/16/73/222121673.db2.gz AJZXUUVMBFKYFL-NRFANRHFSA-N 1 0 393.531 4.125 50 0 GIAARO COc1ccccc1[C@H]1CC(c2ccccc2O)=NC2(CC[NH+](C(C)C)CC2)N1 ZINC000065298602 222121916 /nfs/dbraw/zinc/12/19/16/222121916.db2.gz YVFDRAHXZJGLNZ-OAQYLSRUSA-N 1 0 393.531 4.125 50 0 GIAARO CC[N@@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2CCc2nncn2C(C)C)C1 ZINC000065372199 222126153 /nfs/dbraw/zinc/12/61/53/222126153.db2.gz QYYZMXNVSMXVQD-FQEVSTJZSA-N 1 0 392.551 4.165 50 0 GIAARO C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1C[C@H]1CCC[N@H+](CCO)C1 ZINC000065387125 222126964 /nfs/dbraw/zinc/12/69/64/222126964.db2.gz VOXIEGMQCJBAOX-ZAQQZEBGSA-N 1 0 391.515 4.408 50 0 GIAARO Cc1ccsc1-c1c(-c2ccccc2)ncn1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000065502657 222132355 /nfs/dbraw/zinc/13/23/55/222132355.db2.gz UYZQXVZEHJOKPG-SFHVURJKSA-N 1 0 381.545 4.291 50 0 GIAARO COc1ccc(O)c(-c2nc(CCc3ccccc3)nn2-c2cc[nH+]c(C)c2)c1 ZINC000065531056 222133904 /nfs/dbraw/zinc/13/39/04/222133904.db2.gz WKULLSGRJMMZHZ-UHFFFAOYSA-N 1 0 386.455 4.137 50 0 GIAARO Cc1ccc(-c2cc3c(N4CC[NH+](C5CCCCC5)CC4)nccn3n2)c(C)c1 ZINC000067285085 222143800 /nfs/dbraw/zinc/14/38/00/222143800.db2.gz RYYWUYYUYFQJJE-UHFFFAOYSA-N 1 0 389.547 4.468 50 0 GIAARO CNc1cc(C)[nH+]c(NCc2nc(-c3ccc(C)cc3)c(-c3ccccn3)[nH]2)n1 ZINC000067694875 222155523 /nfs/dbraw/zinc/15/55/23/222155523.db2.gz CFQAEAWAGOQDJS-UHFFFAOYSA-N 1 0 385.475 4.199 50 0 GIAARO CNc1cc(C)[nH+]c(NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)n1 ZINC000067847607 222162793 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Cc1ccc(C[N@@H+](C)Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)c2)o1 ZINC000071777330 222198081 /nfs/dbraw/zinc/19/80/81/222198081.db2.gz URSRFCNWRQZJRT-UHFFFAOYSA-N 1 0 386.455 4.445 50 0 GIAARO Cn1cc(C[N@H+](C)CC(C)(C)CO)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072477572 222266374 /nfs/dbraw/zinc/26/63/74/222266374.db2.gz RFMYYTCGHATWLK-UHFFFAOYSA-N 1 0 379.504 4.330 50 0 GIAARO CC(=O)N1CCC[N@H+](Cc2cc3cccc(C)c3nc2-c2cccs2)CC1 ZINC000072470114 222263158 /nfs/dbraw/zinc/26/31/58/222263158.db2.gz CYWGZQTZGKXNMW-UHFFFAOYSA-N 1 0 379.529 4.326 50 0 GIAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](CCSc1ccccc1)CC2 ZINC000095519162 222345110 /nfs/dbraw/zinc/34/51/10/222345110.db2.gz DAPJMSJBSAQGPI-UHFFFAOYSA-N 1 0 380.557 4.293 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc[nH]c1 ZINC000095512036 222342295 /nfs/dbraw/zinc/34/22/95/222342295.db2.gz LCNYEQZFROMWLB-QGZVFWFLSA-N 1 0 393.453 4.060 50 0 GIAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)c1ccccc1C(F)(F)F ZINC000077104023 222274374 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4.473 50 0 GIAARO COc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc(Cl)c1OCC(C)C ZINC000095963630 222365870 /nfs/dbraw/zinc/36/58/70/222365870.db2.gz ZGBRAWVSZFFNAW-UHFFFAOYSA-N 1 0 391.899 4.092 50 0 GIAARO Cc1ncc(C[NH2+]C(C)C)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000096114502 222381473 /nfs/dbraw/zinc/38/14/73/222381473.db2.gz OAZHEVLBFCKMPL-UHFFFAOYSA-N 1 0 392.411 4.136 50 0 GIAARO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000097141092 222439229 /nfs/dbraw/zinc/43/92/29/222439229.db2.gz BQZYCSZDBNSNBU-GDIGMMSISA-N 1 0 386.467 4.096 50 0 GIAARO CC(C)C[NH+]1CCN(c2ncccc2-c2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000065117723 535107665 /nfs/dbraw/zinc/10/76/65/535107665.db2.gz IKGCWVHZYMDTIT-UHFFFAOYSA-N 1 0 397.910 4.230 50 0 GIAARO CN1CC[NH+]([C@@H](CC(O)(c2ccccc2)c2ccccc2)c2ccccc2)CC1 ZINC000019799470 570220353 /nfs/dbraw/zinc/22/03/53/570220353.db2.gz VCDTZVDAAVOBQR-VWLOTQADSA-N 1 0 386.539 4.301 50 0 GIAARO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019841769 570224807 /nfs/dbraw/zinc/22/48/07/570224807.db2.gz ZABXKTGGHOTGBI-QDSKXPNFSA-N 1 0 386.539 4.175 50 0 GIAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000019940035 570232860 /nfs/dbraw/zinc/23/28/60/570232860.db2.gz VBKFJSYFCSYNTF-GOSISDBHSA-N 1 0 382.529 4.462 50 0 GIAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000019940036 570232957 /nfs/dbraw/zinc/23/29/57/570232957.db2.gz VBKFJSYFCSYNTF-SFHVURJKSA-N 1 0 382.529 4.462 50 0 GIAARO O=C(Nc1ccccc1OCCc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000048324823 570235776 /nfs/dbraw/zinc/23/57/76/570235776.db2.gz FXXVJLDOPOYOPG-OAQYLSRUSA-N 1 0 393.531 4.400 50 0 GIAARO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000006086183 570240223 /nfs/dbraw/zinc/24/02/23/570240223.db2.gz NVZJPKLYJAGKIJ-LBPRGKRZSA-N 1 0 379.287 4.355 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccccc2-n2cccn2)cc1 ZINC000048345782 570241162 /nfs/dbraw/zinc/24/11/62/570241162.db2.gz CXNPYIJBAUIRTA-UHFFFAOYSA-N 1 0 377.492 4.036 50 0 GIAARO Cc1[nH]c2c(cccc2F)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000097446849 570243846 /nfs/dbraw/zinc/24/38/46/570243846.db2.gz BUJTUFQNCKFAOX-OAHLLOKOSA-N 1 0 385.508 4.000 50 0 GIAARO OCC[C@@H]1CN(Cc2ccccc2-c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000020206859 570248199 /nfs/dbraw/zinc/24/81/99/570248199.db2.gz WNDDPMIWMQWPDI-JOCHJYFZSA-N 1 0 376.500 4.015 50 0 GIAARO Cc1c(C(=O)Nc2cccc3c2CC[N@@H+](C)C3)cnn1-c1ccccc1Cl ZINC000112173286 570251942 /nfs/dbraw/zinc/25/19/42/570251942.db2.gz PYZQQPWWMSRYPU-UHFFFAOYSA-N 1 0 380.879 4.074 50 0 GIAARO O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000020325652 570252219 /nfs/dbraw/zinc/25/22/19/570252219.db2.gz VNFLOAAEIKVJAV-QFIPXVFZSA-N 1 0 396.918 4.055 50 0 GIAARO CCN(CC)CC[NH2+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365360 570253480 /nfs/dbraw/zinc/25/34/80/570253480.db2.gz XWXIIYFKAGUANZ-UHFFFAOYSA-N 1 0 381.347 4.161 50 0 GIAARO CCOc1c(C[NH2+]CCc2ccc(F)cc2)cc(Br)cc1OC ZINC000020476768 570260949 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50 0 GIAARO CC[NH+](CC)CCSc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cn1 ZINC000021663602 570294105 /nfs/dbraw/zinc/29/41/05/570294105.db2.gz SHFVLQNKUNNIEL-UHFFFAOYSA-N 1 0 393.940 4.430 50 0 GIAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+](C)C)cc1 ZINC000021805453 570296663 /nfs/dbraw/zinc/29/66/63/570296663.db2.gz ABUOYKGUDWOJQM-LJQANCHMSA-N 1 0 399.878 4.036 50 0 GIAARO Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072308210 570303240 /nfs/dbraw/zinc/30/32/40/570303240.db2.gz FSNXHTHLXDPLOL-INIZCTEOSA-N 1 0 393.409 4.139 50 0 GIAARO CCN(CCCNC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000060880872 570304178 /nfs/dbraw/zinc/30/41/78/570304178.db2.gz DWDALLUMPVYJHC-VQIMIIECSA-N 1 0 397.494 4.067 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107688 570305976 /nfs/dbraw/zinc/30/59/76/570305976.db2.gz UJVZZINKSGEXAR-JOCHJYFZSA-N 1 0 377.484 4.140 50 0 GIAARO CC(C)Cn1cncc1CN1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000107021121 570308188 /nfs/dbraw/zinc/30/81/88/570308188.db2.gz AJRXRYYAZWTFHU-HSZRJFAPSA-N 1 0 386.559 4.411 50 0 GIAARO CCOc1cc(C[NH2+]C2CCCC2)cc(I)c1OCC ZINC000002883019 570316063 /nfs/dbraw/zinc/31/60/63/570316063.db2.gz FGSLAMNRSKOXPQ-UHFFFAOYSA-N 1 0 389.277 4.121 50 0 GIAARO CCCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(OCCC)c1 ZINC000004864298 570350492 /nfs/dbraw/zinc/35/04/92/570350492.db2.gz FCFMEHGPTMQPJT-IBGZPJMESA-N 1 0 379.464 4.111 50 0 GIAARO CC[NH+](CC)CCOC(=O)[C@@H](Cc1cccc2ccccc21)C[C@H]1CCCO1 ZINC000003831173 570350994 /nfs/dbraw/zinc/35/09/94/570350994.db2.gz KBAFPSLPKGSANY-FCHUYYIVSA-N 1 0 383.532 4.453 50 0 world GIAARO Cc1ccc(NC(=O)NCCSCc2ccc(C[NH+](C)C)o2)cc1Cl ZINC000003991695 570353651 /nfs/dbraw/zinc/35/36/51/570353651.db2.gz WEYNBWVKOYCCQT-UHFFFAOYSA-N 1 0 381.929 4.358 50 0 in-vivo GIAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccccn2)cs1 ZINC000004914628 570363784 /nfs/dbraw/zinc/36/37/84/570363784.db2.gz ATYYXAQYTSSQMS-MEDUHNTESA-N 1 0 382.411 4.212 50 0 GIAARO COCCn1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)s2)n1 ZINC000023541831 570364844 /nfs/dbraw/zinc/36/48/44/570364844.db2.gz BPIADACXJHZXOT-HXUWFJFHSA-N 1 0 382.533 4.380 50 0 GIAARO Cc1ccc(-c2cccc(N3CCC([NH2+][C@H](C)c4nncn4C)CC3)c2)cc1 ZINC000023543109 570365046 /nfs/dbraw/zinc/36/50/46/570365046.db2.gz WSCOELOQDVNSLJ-GOSISDBHSA-N 1 0 375.520 4.110 50 0 GIAARO Cc1nn2c(nc(C)cc2N2CC[NH+](C3CCCC3)CC2)c1-c1ccccc1 ZINC000004295277 570366198 /nfs/dbraw/zinc/36/61/98/570366198.db2.gz JWCAQPCRZSXATE-UHFFFAOYSA-N 1 0 375.520 4.078 50 0 GIAARO COc1cccc(NC(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)c1OC ZINC000575620736 570369793 /nfs/dbraw/zinc/36/97/93/570369793.db2.gz LSRNNRBIWKPULK-QGZVFWFLSA-N 1 0 399.516 4.343 50 0 GIAARO COCc1c(C(=O)NCc2ccccc2C[NH+](C)C)sc2cccc(F)c21 ZINC000024084716 570378551 /nfs/dbraw/zinc/37/85/51/570378551.db2.gz BRGMSCYAKRTOJZ-UHFFFAOYSA-N 1 0 386.492 4.178 50 0 GIAARO Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000024190292 570380428 /nfs/dbraw/zinc/38/04/28/570380428.db2.gz QTSWIDMFTXKMIW-UHFFFAOYSA-N 1 0 378.516 4.179 50 0 GIAARO CCOC(=O)C1(N(C(=O)CC)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000004528466 570381961 /nfs/dbraw/zinc/38/19/61/570381961.db2.gz QOYROTCVRDQKJR-UHFFFAOYSA-N 1 0 394.515 4.028 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)COc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000024527361 570385157 /nfs/dbraw/zinc/38/51/57/570385157.db2.gz YYVCVDFNAMUSRA-FQEVSTJZSA-N 1 0 380.513 4.213 50 0 GIAARO O=C1C[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 ZINC000004686154 570393224 /nfs/dbraw/zinc/39/32/24/570393224.db2.gz CYMZJEOOLQKUED-MRXNPFEDSA-N 1 0 397.689 4.111 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1c2ccccc2Oc2ccccc21 ZINC000006335634 570393767 /nfs/dbraw/zinc/39/37/67/570393767.db2.gz MDGZKGWAXOLVSQ-IBGZPJMESA-N 1 0 388.467 4.471 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)[C@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC000024841697 570395808 /nfs/dbraw/zinc/39/58/08/570395808.db2.gz CJHQDMMMFIPYNE-UNMCSNQZSA-N 1 0 378.516 4.068 50 0 GIAARO CCOc1cc(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C(C)C ZINC000004744818 570401630 /nfs/dbraw/zinc/40/16/30/570401630.db2.gz DPDQXNMMIARCBQ-UHFFFAOYSA-N 1 0 396.597 4.105 50 0 GIAARO CC(C)[NH+]1CCN(c2cccc(NCc3ccn(-c4ccccc4)n3)c2)CC1 ZINC000091065790 570421958 /nfs/dbraw/zinc/42/19/58/570421958.db2.gz ZCEOHNHRKDACFU-UHFFFAOYSA-N 1 0 375.520 4.015 50 0 GIAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000005137286 570423906 /nfs/dbraw/zinc/42/39/06/570423906.db2.gz FLSLBDIZWSPTFU-UHFFFAOYSA-N 1 0 388.581 4.138 50 0 GIAARO O[C@](c1ccccc1)(c1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000026568984 570426820 /nfs/dbraw/zinc/42/68/20/570426820.db2.gz HLARMCFCXXGSBI-BJKOFHAPSA-N 1 0 377.459 4.135 50 0 GIAARO Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C(C)C ZINC000044331656 570436556 /nfs/dbraw/zinc/43/65/56/570436556.db2.gz RHUSLHYGAWSNDT-LJQANCHMSA-N 1 0 395.547 4.276 50 0 GIAARO Cc1cc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1Cl ZINC000027582178 570436899 /nfs/dbraw/zinc/43/68/99/570436899.db2.gz TYKWAYOKCLNDDI-KRWDZBQOSA-N 1 0 378.925 4.042 50 0 GIAARO COc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc1 ZINC000027582920 570436906 /nfs/dbraw/zinc/43/69/06/570436906.db2.gz CUKYWQWEDBJTFN-QFIPXVFZSA-N 1 0 382.504 4.051 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2C)[NH+]2CCCCCC2)cc1 ZINC000027741366 570440721 /nfs/dbraw/zinc/44/07/21/570440721.db2.gz FYKUARNTNXVGLU-QFIPXVFZSA-N 1 0 380.532 4.416 50 0 GIAARO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000027747114 570441604 /nfs/dbraw/zinc/44/16/04/570441604.db2.gz BSCGCKMZSYWEGQ-OAQYLSRUSA-N 1 0 382.504 4.051 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027793063 570442577 /nfs/dbraw/zinc/44/25/77/570442577.db2.gz JAXOTOSMOYKRPF-HSZRJFAPSA-N 1 0 380.532 4.451 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(=O)c2cc(C)c(C)cc2o1)c1ccccc1 ZINC000028292248 570456508 /nfs/dbraw/zinc/45/65/08/570456508.db2.gz DOQFCTHJZHQMHN-HXUWFJFHSA-N 1 0 392.499 4.223 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000028291992 570456715 /nfs/dbraw/zinc/45/67/15/570456715.db2.gz ORGPMHDPFMSEEA-IBGZPJMESA-N 1 0 387.321 4.406 50 0 GIAARO CCN1CC[NH+](C2(CNC(=O)c3ccc(C(C)(C)C)cc3)CCCCC2)CC1 ZINC000028293524 570457091 /nfs/dbraw/zinc/45/70/91/570457091.db2.gz NCEJJKDVSVGFRC-UHFFFAOYSA-N 1 0 385.596 4.054 50 0 GIAARO COc1ccc(C(=O)O[C@H](COc2ccc(Cl)cc2)C[NH+]2CCCC2)cc1 ZINC000028580893 570461435 /nfs/dbraw/zinc/46/14/35/570461435.db2.gz JGQQHJZVFWFBFN-FQEVSTJZSA-N 1 0 389.879 4.049 50 0 GIAARO C[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)nc3c4ccccc4oc32)CC1 ZINC000005163108 570468061 /nfs/dbraw/zinc/46/80/61/570468061.db2.gz LYFMRGVOHJJWLZ-UHFFFAOYSA-N 1 0 378.863 4.448 50 0 GIAARO C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000029487129 570474683 /nfs/dbraw/zinc/47/46/83/570474683.db2.gz NUUMKVDRGYIBPJ-MRXNPFEDSA-N 1 0 380.822 4.499 50 0 GIAARO CCc1oc2ccccc2c1C[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000072289907 570482987 /nfs/dbraw/zinc/48/29/87/570482987.db2.gz LOXOHBBCMSIXJK-QGZVFWFLSA-N 1 0 377.488 4.112 50 0 GIAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+](C)C)no2)cc1 ZINC000032622141 570512525 /nfs/dbraw/zinc/51/25/25/570512525.db2.gz PBBLQKHJSUYNTO-LJQANCHMSA-N 1 0 383.879 4.336 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(Cl)cc1 ZINC000032623066 570512533 /nfs/dbraw/zinc/51/25/33/570512533.db2.gz ORYOSBAXTRHNHI-HNNXBMFYSA-N 1 0 375.881 4.089 50 0 GIAARO C[N@H+](CCCc1nc(-c2ccccc2)no1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305177 570517010 /nfs/dbraw/zinc/51/70/10/570517010.db2.gz FLRMYRDJCFXENC-UHFFFAOYSA-N 1 0 394.494 4.409 50 0 GIAARO CCSCC[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000072305343 570517649 /nfs/dbraw/zinc/51/76/49/570517649.db2.gz ZXIWPXZEYZBKOR-CYBMUJFWSA-N 1 0 377.381 4.415 50 0 GIAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)Cc2ccccc2)cc1 ZINC000036101918 570539043 /nfs/dbraw/zinc/53/90/43/570539043.db2.gz HHJYENWMXKJUCJ-HSZRJFAPSA-N 1 0 389.495 4.330 50 0 GIAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000036103990 570540708 /nfs/dbraw/zinc/54/07/08/570540708.db2.gz DHSBIWMHFWWGDH-QFIPXVFZSA-N 1 0 387.495 4.149 50 0 GIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cn(C)c4ccccc24)N3)C1 ZINC000006708418 570545641 /nfs/dbraw/zinc/54/56/41/570545641.db2.gz BOIDWPYHJDUPIL-IBGZPJMESA-N 1 0 380.517 4.435 50 0 GIAARO COc1ccc(C[N@@H+]2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000225497682 570580723 /nfs/dbraw/zinc/58/07/23/570580723.db2.gz HFAIGAHXPKGFNY-UHFFFAOYSA-N 1 0 399.844 4.475 50 0 GIAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000038836082 570587114 /nfs/dbraw/zinc/58/71/14/570587114.db2.gz KALZCIOIXBXEKO-UHFFFAOYSA-N 1 0 377.532 4.025 50 0 GIAARO OC[C@]1(Cc2ccc(F)cc2)CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000039413282 570591540 /nfs/dbraw/zinc/59/15/40/570591540.db2.gz SQHCCZZAIZAQGZ-VWLOTQADSA-N 1 0 396.550 4.107 50 0 GIAARO O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000002639136 570592117 /nfs/dbraw/zinc/59/21/17/570592117.db2.gz FOTNOSZTKHTRLJ-JOCHJYFZSA-N 1 0 381.516 4.360 50 0 GIAARO COc1ccc(C(=O)NCc2cccc(C)c2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012092861 570608192 /nfs/dbraw/zinc/60/81/92/570608192.db2.gz MYLOYQNWTDRITP-UHFFFAOYSA-N 1 0 396.531 4.185 50 0 GIAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000040732826 570608778 /nfs/dbraw/zinc/60/87/78/570608778.db2.gz SKWNDEMBIQGSSW-UHFFFAOYSA-N 1 0 378.447 4.441 50 0 GIAARO CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040742322 570611986 /nfs/dbraw/zinc/61/19/86/570611986.db2.gz SVJLVYUPHKVMDV-UHFFFAOYSA-N 1 0 388.895 4.317 50 0 GIAARO COc1cc(C[NH2+]CCCO)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000040743821 570613011 /nfs/dbraw/zinc/61/30/11/570613011.db2.gz NSOZMLHAFMIPHJ-UHFFFAOYSA-N 1 0 388.266 4.192 50 0 GIAARO COc1cccc(C[NH2+]CCCCO)c1OCc1c(Cl)cccc1Cl ZINC000040744226 570613636 /nfs/dbraw/zinc/61/36/36/570613636.db2.gz BJLRXPFWRBQPIB-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO CCOc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000040744159 570613698 /nfs/dbraw/zinc/61/36/98/570613698.db2.gz XULABJXXLXANHM-UHFFFAOYSA-N 1 0 377.912 4.488 50 0 GIAARO Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]CCCCO)cc1 ZINC000040744285 570613718 /nfs/dbraw/zinc/61/37/18/570613718.db2.gz CBYBEMYFLAPKLQ-UHFFFAOYSA-N 1 0 392.499 4.028 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(C)cc2C)C[C@@H]1c1cccc(OC)c1 ZINC000036345662 570628090 /nfs/dbraw/zinc/62/80/90/570628090.db2.gz KNPJWAHCBGEZEF-HSZRJFAPSA-N 1 0 393.531 4.332 50 0 GIAARO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc2O1 ZINC000044918441 570643399 /nfs/dbraw/zinc/64/33/99/570643399.db2.gz CFRHQJZJJOMPRM-OAQYLSRUSA-N 1 0 396.506 4.456 50 0 GIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](OC)C2)c1 ZINC000012453204 570668743 /nfs/dbraw/zinc/66/87/43/570668743.db2.gz SJCUQPYQDQQOGI-QFIPXVFZSA-N 1 0 377.488 4.159 50 0 GIAARO Cc1c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)oc2cc(C)cc(C)c12 ZINC000238881741 570680008 /nfs/dbraw/zinc/68/00/08/570680008.db2.gz BFFQFCBNPATKBK-UHFFFAOYSA-N 1 0 377.488 4.362 50 0 GIAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCC3CCCC3)C2)CC1 ZINC000055060773 570680952 /nfs/dbraw/zinc/68/09/52/570680952.db2.gz ITYOKDGVXUVNIO-QFIPXVFZSA-N 1 0 383.580 4.078 50 0 GIAARO Cc1c2cccc(C)c2oc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155411166 570686299 /nfs/dbraw/zinc/68/62/99/570686299.db2.gz SFBGHIVLOIVRPC-KRWDZBQOSA-N 1 0 377.488 4.400 50 0 GIAARO O=C(CCc1nc2ccccc2s1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000012783714 570712448 /nfs/dbraw/zinc/71/24/48/570712448.db2.gz IRXQQGXFWAPIKH-INIZCTEOSA-N 1 0 385.558 4.244 50 0 GIAARO CCCN(CCC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248007089 570719630 /nfs/dbraw/zinc/71/96/30/570719630.db2.gz PTPFOVDUAWOSRJ-IBGZPJMESA-N 1 0 384.568 4.478 50 0 GIAARO Cc1ccccc1Cn1cc(C[NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000248132971 570720961 /nfs/dbraw/zinc/72/09/61/570720961.db2.gz BOWOCGNZRLGPHV-UHFFFAOYSA-N 1 0 375.516 4.100 50 0 GIAARO CCOCCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248318099 570722338 /nfs/dbraw/zinc/72/23/38/570722338.db2.gz OBHOHLBUCLZHPM-UHFFFAOYSA-N 1 0 384.911 4.163 50 0 GIAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)nc2ccccc21 ZINC000249694995 570722725 /nfs/dbraw/zinc/72/27/25/570722725.db2.gz QCJGEWOHCIZBLV-INIZCTEOSA-N 1 0 380.467 4.046 50 0 GIAARO O=C(Nc1ccc(F)cc1)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000007000378 570734402 /nfs/dbraw/zinc/73/44/02/570734402.db2.gz JZCFEPUSHOFEFB-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000033059974 570747310 /nfs/dbraw/zinc/74/73/10/570747310.db2.gz FSTXZDBKLSFTHD-HNNXBMFYSA-N 1 0 396.560 4.308 50 0 GIAARO CCOc1c(Br)cc(C[NH2+][C@@H]2CCOc3ccccc32)cc1OC ZINC000025357062 570748476 /nfs/dbraw/zinc/74/84/76/570748476.db2.gz FKPBHTUKRNCOBC-MRXNPFEDSA-N 1 0 392.293 4.470 50 0 GIAARO CCCc1noc(-c2cccnc2N2CCC[N@H+](Cc3ccc(C)cc3)CC2)n1 ZINC000065257928 570758941 /nfs/dbraw/zinc/75/89/41/570758941.db2.gz WYGIUUHMMXKFFR-UHFFFAOYSA-N 1 0 391.519 4.105 50 0 GIAARO C[NH+](C)CCOc1ccccc1NC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000524735634 570774415 /nfs/dbraw/zinc/77/44/15/570774415.db2.gz OTZDCSDYKFYDLQ-LJQANCHMSA-N 1 0 383.517 4.108 50 0 GIAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)n3c(C)csc3n2)CC(C)C)cc1 ZINC000033069018 570775699 /nfs/dbraw/zinc/77/56/99/570775699.db2.gz NEPNCAXGYZICED-UHFFFAOYSA-N 1 0 385.533 4.121 50 0 GIAARO C[N@H+](Cc1ccccc1NCc1nnnn1-c1ccccc1)C1CCCCC1 ZINC000032753335 570796071 /nfs/dbraw/zinc/79/60/71/570796071.db2.gz CDXDOGQFQARZOY-UHFFFAOYSA-N 1 0 376.508 4.039 50 0 GIAARO CC1CC[NH+](CCc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1 ZINC000005863152 570798402 /nfs/dbraw/zinc/79/84/02/570798402.db2.gz HHKBZAGOQCACAZ-UHFFFAOYSA-N 1 0 376.504 4.100 50 0 GIAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1 ZINC000004488595 570799864 /nfs/dbraw/zinc/79/98/64/570799864.db2.gz XBNKRNXMMDIXQJ-UHFFFAOYSA-N 1 0 395.430 4.432 50 0 GIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc(C)cc4)ccc3n2)CC1 ZINC000033084640 570806300 /nfs/dbraw/zinc/80/63/00/570806300.db2.gz OPPCUXJPEQEVSL-UHFFFAOYSA-N 1 0 388.515 4.246 50 0 GIAARO CCC[NH+]1CCN(C(=O)Cc2c3ccccc3[nH]c2Sc2ccccc2)CC1 ZINC000033116286 570814133 /nfs/dbraw/zinc/81/41/33/570814133.db2.gz UVCYTNNPNBVNDA-UHFFFAOYSA-N 1 0 393.556 4.416 50 0 GIAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(OC)c3)n2CCOC)cc1 ZINC000004679107 570824670 /nfs/dbraw/zinc/82/46/70/570824670.db2.gz OMCIYOHYXAYHFZ-UHFFFAOYSA-N 1 0 381.476 4.216 50 0 GIAARO COC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000165653573 570825470 /nfs/dbraw/zinc/82/54/70/570825470.db2.gz GGZLVDJIGSJUHP-LJQANCHMSA-N 1 0 380.410 4.184 50 0 GIAARO Cc1c(C(=O)NCC[NH+]2CCCCCC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000032817497 570830625 /nfs/dbraw/zinc/83/06/25/570830625.db2.gz YWUULTDGKHUREF-UHFFFAOYSA-N 1 0 398.532 4.174 50 0 GIAARO O=C(c1ccc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nc1)N1CCCC1 ZINC000032829056 570842316 /nfs/dbraw/zinc/84/23/16/570842316.db2.gz BORUXDPOJNFPQW-HXUWFJFHSA-N 1 0 398.938 4.220 50 0 GIAARO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cnc2cc(OC)cc(OC)c2c1 ZINC000170597033 570854299 /nfs/dbraw/zinc/85/42/99/570854299.db2.gz RYTKHJNVVAGEBR-IBGZPJMESA-N 1 0 380.488 4.025 50 0 GIAARO CC(C)CC(=O)N1CCC(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000170597303 570855089 /nfs/dbraw/zinc/85/50/89/570855089.db2.gz OVPCHUQXGARGKN-QFIPXVFZSA-N 1 0 398.547 4.100 50 0 GIAARO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(c2ccncc2)CC1 ZINC000170613602 570871771 /nfs/dbraw/zinc/87/17/71/570871771.db2.gz YWIKWEDVHIQVNH-AWEZNQCLSA-N 1 0 388.309 4.051 50 0 GIAARO Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1 ZINC000015061668 570874630 /nfs/dbraw/zinc/87/46/30/570874630.db2.gz HBWOHUXRXWCLMI-FQEVSTJZSA-N 1 0 380.517 4.235 50 0 GIAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000032902785 570900708 /nfs/dbraw/zinc/90/07/08/570900708.db2.gz NCTNZXVAMODZQD-UHFFFAOYSA-N 1 0 376.422 4.362 50 0 GIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(SCc2cscn2)cc1 ZINC000032905540 570903560 /nfs/dbraw/zinc/90/35/60/570903560.db2.gz IZRIUKHCAOSBMS-UHFFFAOYSA-N 1 0 375.563 4.041 50 0 GIAARO C[C@H](c1ccc(-c2cccc(OCCn3ccnc3)c2)cc1)[NH+]1CCOCC1 ZINC000534589517 570905802 /nfs/dbraw/zinc/90/58/02/570905802.db2.gz PWCXUFNUBARIKC-LJQANCHMSA-N 1 0 377.488 4.022 50 0 GIAARO Cc1ccc([C@@H](C)NC(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)cc1C ZINC000534641643 570908777 /nfs/dbraw/zinc/90/87/77/570908777.db2.gz ZURANODBQZPUQU-LJQANCHMSA-N 1 0 380.536 4.065 50 0 GIAARO CC[NH+](CC)CCN(CC(=O)Nc1c(C)cccc1Cl)Cc1ccccc1 ZINC000019367546 570915092 /nfs/dbraw/zinc/91/50/92/570915092.db2.gz IHBUSGGLXXXAML-UHFFFAOYSA-N 1 0 387.955 4.431 50 0 GIAARO C[NH+](C)CCN(C(=O)CSc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000004585255 570916334 /nfs/dbraw/zinc/91/63/34/570916334.db2.gz IRAPQDMBZVYUPF-UHFFFAOYSA-N 1 0 389.521 4.122 50 0 GIAARO C[NH+](C)CCN(C(=O)c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000004585275 570916340 /nfs/dbraw/zinc/91/63/40/570916340.db2.gz UONOSQCJVSIXAZ-UHFFFAOYSA-N 1 0 382.514 4.114 50 0 GIAARO O=C(NCc1ccccc1)C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000089835029 570916633 /nfs/dbraw/zinc/91/66/33/570916633.db2.gz RPPIFDRYZONRKB-UHFFFAOYSA-N 1 0 388.511 4.247 50 0 GIAARO O=S(=O)(CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000089830191 570916769 /nfs/dbraw/zinc/91/67/69/570916769.db2.gz LWDRUYAQNDHQBQ-QHCPKHFHSA-N 1 0 379.525 4.424 50 0 GIAARO Cc1cccc2[nH]nc(-c3cccc(C(=O)NCC4([NH+](C)C)CCCC4)c3)c21 ZINC000534667812 570920068 /nfs/dbraw/zinc/92/00/68/570920068.db2.gz OHEOZZJIINZGCX-UHFFFAOYSA-N 1 0 376.504 4.143 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCOc2ccc(I)cc2)C1 ZINC000002822281 570933303 /nfs/dbraw/zinc/93/33/03/570933303.db2.gz AYENYAAILQYWOI-HUUCEWRRSA-N 1 0 387.305 4.428 50 0 GIAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(F)ccc1Br ZINC000032925021 570935228 /nfs/dbraw/zinc/93/52/28/570935228.db2.gz VXBVQURDQVCIHR-UHFFFAOYSA-N 1 0 393.300 4.358 50 0 GIAARO C[NH2+]C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000237137619 570943966 /nfs/dbraw/zinc/94/39/66/570943966.db2.gz OTVPOWGJQXNSNH-UHFFFAOYSA-N 1 0 391.298 4.048 50 0 GIAARO Cc1ccc(-c2nc(C(=O)N(CCc3ccccc3)CC[NH+](C)C)cs2)cc1 ZINC000032931125 570944730 /nfs/dbraw/zinc/94/47/30/570944730.db2.gz VYYNGCNGXZOLME-UHFFFAOYSA-N 1 0 393.556 4.365 50 0 GIAARO Brc1cccc2c(NC[C@H](c3ccco3)[NH+]3CCCC3)ncnc12 ZINC000032937626 570953207 /nfs/dbraw/zinc/95/32/07/570953207.db2.gz HIPFZAFZAJWNSI-OAHLLOKOSA-N 1 0 387.281 4.234 50 0 GIAARO COc1ccc([C@@H]2[NH2+]CC[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000001293558 570956202 /nfs/dbraw/zinc/95/62/02/570956202.db2.gz ADRGNPCYQFCFPB-ZCYQVOJMSA-N 1 0 384.479 4.214 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000252467402 570961648 /nfs/dbraw/zinc/96/16/48/570961648.db2.gz HZDIRMRLWZSYKE-QAPCUYQASA-N 1 0 379.932 4.117 50 0 GIAARO CCn1cc(C[NH+]2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)c(C)n1 ZINC000019227385 570964612 /nfs/dbraw/zinc/96/46/12/570964612.db2.gz ONJTYIRPPRRZGS-UHFFFAOYSA-N 1 0 395.469 4.047 50 0 GIAARO Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000248376923 570965716 /nfs/dbraw/zinc/96/57/16/570965716.db2.gz FBIFVVKCXXEIGT-NQIIRXRSSA-N 1 0 394.515 4.089 50 0 GIAARO c1[nH]nc(-c2cccc3ccccc32)c1C[NH2+]C[C@H]1CCCN(c2ncccn2)C1 ZINC000019301042 570974018 /nfs/dbraw/zinc/97/40/18/570974018.db2.gz DQPCIYFAVCBZPN-GOSISDBHSA-N 1 0 398.514 4.026 50 0 GIAARO Cn1cc(-c2ccccc2)c(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000252510710 570979875 /nfs/dbraw/zinc/97/98/75/570979875.db2.gz ZOTKRVSOBCAFNW-UHFFFAOYSA-N 1 0 389.503 4.005 50 0 GIAARO CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccn1 ZINC000252523237 570987497 /nfs/dbraw/zinc/98/74/97/570987497.db2.gz CDYAFYRHGIVVOX-XXBNENTESA-N 1 0 379.548 4.370 50 0 GIAARO Cc1nc(-c2cccc(F)c2)sc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252570420 570995864 /nfs/dbraw/zinc/99/58/64/570995864.db2.gz WSIKHYPDAXUZNE-WMZOPIPTSA-N 1 0 387.524 4.252 50 0 GIAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCC3)n2Cc2ccc(F)cc2)s1 ZINC000037588070 571034405 /nfs/dbraw/zinc/03/44/05/571034405.db2.gz IDPWRVODUIBKPK-UHFFFAOYSA-N 1 0 385.508 4.024 50 0 GIAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(Cl)cc2)C3)cc1 ZINC000095357801 571053483 /nfs/dbraw/zinc/05/34/83/571053483.db2.gz HLDUAGULZAORLU-FXAWDEMLSA-N 1 0 384.907 4.085 50 0 GIAARO C[N@@H+]1CCCCC[C@H]1C(=O)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 ZINC000095373620 571062695 /nfs/dbraw/zinc/06/26/95/571062695.db2.gz MPBIPEKFMLYYGG-QHCPKHFHSA-N 1 0 390.531 4.009 50 0 GIAARO Clc1ccccc1C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095377230 571065160 /nfs/dbraw/zinc/06/51/60/571065160.db2.gz VEOUILZEUNDLDT-CDNPAEQRSA-N 1 0 396.918 4.131 50 0 GIAARO CN(C)C(=O)c1cc[nH]c1[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000409420146 823220783 /nfs/dbraw/zinc/22/07/83/823220783.db2.gz DCCSWPCUQSXLBW-HNNXBMFYSA-N 1 0 379.426 4.115 50 0 GIAARO CC(C)Sc1nc2sc3c(c2c(NCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000002424764 817388857 /nfs/dbraw/zinc/38/88/57/817388857.db2.gz CERRYGUSNNEDBH-UHFFFAOYSA-N 1 0 380.583 4.017 50 0 GIAARO C[C@@H](c1ccncc1)N(CC[NH+](C)C)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000003049859 817414853 /nfs/dbraw/zinc/41/48/53/817414853.db2.gz DWNDLMGUMOVQAU-ZDUSSCGKSA-N 1 0 380.920 4.196 50 0 GIAARO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000003413690 817452290 /nfs/dbraw/zinc/45/22/90/817452290.db2.gz PKVJKEAMWZANQA-QGZVFWFLSA-N 1 0 380.410 4.184 50 0 GIAARO CC(=O)c1c(C[N@H+](C)C23CC4CC(CC(C4)C2)C3)nc2n(C)c3ccccc3n12 ZINC000003833064 817494820 /nfs/dbraw/zinc/49/48/20/817494820.db2.gz NJVIYPSLZCNUST-UHFFFAOYSA-N 1 0 390.531 4.429 50 0 GIAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(F)cc1 ZINC000003852176 817494977 /nfs/dbraw/zinc/49/49/77/817494977.db2.gz ZPOVOKUDMHZLJT-UHFFFAOYSA-N 1 0 377.419 4.002 50 0 GIAARO COc1ccc(NC(=S)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000004000043 817495939 /nfs/dbraw/zinc/49/59/39/817495939.db2.gz GABBENKYOSCVRA-GMQQQROESA-N 1 0 397.588 4.287 50 0 GIAARO CCc1ccccc1NC(=O)c1cc2cc3c4c(c2oc1=[NH2+])CCCN4CCC3 ZINC000004193225 817509992 /nfs/dbraw/zinc/50/99/92/817509992.db2.gz MDZVWSSBJHQGPP-UHFFFAOYSA-N 1 0 387.483 4.426 50 0 GIAARO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(-n3ccnc3)cc1)O[C@H](C)C2 ZINC000007984343 817975680 /nfs/dbraw/zinc/97/56/80/817975680.db2.gz ITQOEDQDJZSWPF-SJORKVTESA-N 1 0 377.488 4.445 50 0 GIAARO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)cc1OC ZINC000057577249 823311297 /nfs/dbraw/zinc/31/12/97/823311297.db2.gz WZCWIBFRUWURLU-HXUWFJFHSA-N 1 0 376.884 4.283 50 0 GIAARO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)cc1OC ZINC000057577247 823311324 /nfs/dbraw/zinc/31/13/24/823311324.db2.gz WZCWIBFRUWURLU-FQEVSTJZSA-N 1 0 376.884 4.283 50 0 GIAARO OC[C@@]1(Cc2ccccc2F)CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011843572 818125646 /nfs/dbraw/zinc/12/56/46/818125646.db2.gz APPVLJQQOIORRP-RUZDIDTESA-N 1 0 396.550 4.107 50 0 GIAARO COCC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000012057483 818139549 /nfs/dbraw/zinc/13/95/49/818139549.db2.gz IWZBCZKONORYST-UHFFFAOYSA-N 1 0 391.515 4.406 50 0 GIAARO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccc(Cl)c3)[N@H+]3CCC[C@@]123 ZINC000012208392 818146684 /nfs/dbraw/zinc/14/66/84/818146684.db2.gz BMFDUUZOHCDJHF-APTRMMRNSA-N 1 0 392.930 4.245 50 0 GIAARO Cc1nc(N2CCC[C@H]([NH2+]CCc3ccccc3)CC2)nc2ccc(F)cc12 ZINC000012333354 818155099 /nfs/dbraw/zinc/15/50/99/818155099.db2.gz DIUSOKYYNSTHDS-FQEVSTJZSA-N 1 0 378.495 4.269 50 0 GIAARO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012921369 818194807 /nfs/dbraw/zinc/19/48/07/818194807.db2.gz UXDGSJYPNOOYCA-AVRDEDQJSA-N 1 0 383.488 4.275 50 0 GIAARO CC(C)=CCC[C@@H](C)[N@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014965568 818279723 /nfs/dbraw/zinc/27/97/23/818279723.db2.gz XQWSPKRNWWKYHD-MRXNPFEDSA-N 1 0 392.927 4.238 50 0 GIAARO CCc1nc(C)c(CN(CC)C[C@@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)[nH]1 ZINC000015064608 818286787 /nfs/dbraw/zinc/28/67/87/818286787.db2.gz FTKZZCPXYZYAGI-NRFANRHFSA-N 1 0 398.595 4.066 50 0 GIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@H]2CCCO2)C2CCCC2)CC1 ZINC000015074446 818287739 /nfs/dbraw/zinc/28/77/39/818287739.db2.gz QFDVKKNZORCLDN-XMMPIXPASA-N 1 0 398.591 4.200 50 0 GIAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)ccc21 ZINC000019607094 818595239 /nfs/dbraw/zinc/59/52/39/818595239.db2.gz FLMSCWWEWBLSPV-HXUWFJFHSA-N 1 0 377.532 4.111 50 0 GIAARO OCC[C@@H]1CN(Cc2ccc(-c3ccco3)cc2)CC[N@@H+]1Cc1cccs1 ZINC000019606828 818595269 /nfs/dbraw/zinc/59/52/69/818595269.db2.gz ZGMWLVPWKPOLPM-HXUWFJFHSA-N 1 0 382.529 4.077 50 0 GIAARO C[N@H+](Cc1cccn1-c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000019810608 818605796 /nfs/dbraw/zinc/60/57/96/818605796.db2.gz DMOWIAYXOJEUPO-FQEVSTJZSA-N 1 0 378.495 4.108 50 0 GIAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000019839962 818606552 /nfs/dbraw/zinc/60/65/52/818606552.db2.gz ZAPNHGKQLMHMFF-LJQANCHMSA-N 1 0 396.506 4.398 50 0 GIAARO OCC[C@H]1CN(Cc2cccc(-c3ccco3)c2)CC[N@@H+]1Cc1cccs1 ZINC000019839687 818606709 /nfs/dbraw/zinc/60/67/09/818606709.db2.gz QCUHDTCFJIXAEB-FQEVSTJZSA-N 1 0 382.529 4.077 50 0 GIAARO Cc1nc(C[N@@H+](C)[C@@H]2CCC(=O)N(Cc3cccc(Cl)c3)CC2)cs1 ZINC000020271157 818617737 /nfs/dbraw/zinc/61/77/37/818617737.db2.gz YQGFCWPTWZLOOL-GOSISDBHSA-N 1 0 377.941 4.118 50 0 GIAARO CCCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440762 818621259 /nfs/dbraw/zinc/62/12/59/818621259.db2.gz RZLQUASGHIXFJM-RPWUZVMVSA-N 1 0 383.532 4.189 50 0 GIAARO COc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440776 818621315 /nfs/dbraw/zinc/62/13/15/818621315.db2.gz CQDLQCAGLLFFQK-RPWUZVMVSA-N 1 0 383.532 4.045 50 0 GIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020485013 818623071 /nfs/dbraw/zinc/62/30/71/818623071.db2.gz LZZOBNPCXLBZMY-MRXNPFEDSA-N 1 0 398.576 4.077 50 0 GIAARO COc1cccc2ccc(CN3CCC[C@H]([N@@H+]4CCc5ccccc5C4)C3)nc21 ZINC000020538474 818624531 /nfs/dbraw/zinc/62/45/31/818624531.db2.gz BBNGFUVWNOERJR-QHCPKHFHSA-N 1 0 387.527 4.266 50 0 GIAARO CSc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000020599012 818626650 /nfs/dbraw/zinc/62/66/50/818626650.db2.gz XKKFYYORFPMKRU-JOCHJYFZSA-N 1 0 381.589 4.195 50 0 GIAARO Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000020995182 818645682 /nfs/dbraw/zinc/64/56/82/818645682.db2.gz ZYKJPSMLSFVFIC-UHTFCRDUSA-N 1 0 397.513 4.265 50 0 GIAARO CC(C)CCOc1ccc([C@@](C)(O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021146408 818658803 /nfs/dbraw/zinc/65/88/03/818658803.db2.gz NKFRRNHHDDWFNN-JWQCQUIFSA-N 1 0 397.559 4.435 50 0 GIAARO CCCCOc1ccc([C@@](C)(O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021168461 818660209 /nfs/dbraw/zinc/66/02/09/818660209.db2.gz IBGVOFQHCXCDAQ-BJKOFHAPSA-N 1 0 383.532 4.189 50 0 GIAARO Fc1ccccc1C[NH+]1CCC(CNc2nc(-c3ccccc3F)no2)CC1 ZINC000021630261 818716669 /nfs/dbraw/zinc/71/66/69/818716669.db2.gz NSYFQVCPLDJGNW-UHFFFAOYSA-N 1 0 384.430 4.339 50 0 GIAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C1 ZINC000021934163 818756713 /nfs/dbraw/zinc/75/67/13/818756713.db2.gz YIZTTYONZWYLDF-SFHVURJKSA-N 1 0 388.515 4.149 50 0 GIAARO CC[C@H](CNC(=O)c1ccccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000032447330 820946738 /nfs/dbraw/zinc/94/67/38/820946738.db2.gz OOIFALWSYRGTBX-QGZVFWFLSA-N 1 0 376.422 4.272 50 0 GIAARO C/C=C\c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(SC)cc2)c(OC)c1 ZINC000034702113 821062409 /nfs/dbraw/zinc/06/24/09/821062409.db2.gz BZDGCTZQNFLBHE-VOFKWLDRSA-N 1 0 387.545 4.322 50 0 GIAARO COc1cc(C[C@H](C)[NH2+][C@@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)ccc1O ZINC000036269421 821070312 /nfs/dbraw/zinc/07/03/12/821070312.db2.gz DFJOKNIZMAGTLK-ORAYPTAESA-N 1 0 395.459 4.389 50 0 GIAARO COc1cccc(C2=NN(C(=O)C[N@H+](C)C(C)C)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341062 821070939 /nfs/dbraw/zinc/07/09/39/821070939.db2.gz UONHHGLGIJGGOE-NRFANRHFSA-N 1 0 399.922 4.367 50 0 GIAARO COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000040050383 821127855 /nfs/dbraw/zinc/12/78/55/821127855.db2.gz CIGFKSCNCLHAHT-INIZCTEOSA-N 1 0 384.701 4.277 50 0 GIAARO Cc1nc(-c2ccc(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)cs1 ZINC000040073698 821131654 /nfs/dbraw/zinc/13/16/54/821131654.db2.gz QMFUKAPLKUJMPZ-OAQYLSRUSA-N 1 0 391.540 4.052 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000040112657 821140260 /nfs/dbraw/zinc/14/02/60/821140260.db2.gz POOGWYOOIQJIKC-QGZVFWFLSA-N 1 0 399.560 4.385 50 0 GIAARO COc1ccc(CC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1F ZINC000040121401 821143218 /nfs/dbraw/zinc/14/32/18/821143218.db2.gz IDVGUURFJOPUNV-HDICACEKSA-N 1 0 398.522 4.171 50 0 GIAARO CCOc1ccc(SCC(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000040146323 821149584 /nfs/dbraw/zinc/14/95/84/821149584.db2.gz QEVCUHIXYDPTLI-GOSISDBHSA-N 1 0 382.529 4.189 50 0 GIAARO CC1(C)CC(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC(C)(C)[NH2+]1 ZINC000041095438 821169765 /nfs/dbraw/zinc/16/97/65/821169765.db2.gz DBLKMQJQCVZZAR-UHFFFAOYSA-N 1 0 399.771 4.234 50 0 GIAARO O=c1c(=CNc2ccccc2)sc2[s+]cc(-c3ccc([N+](=O)[O-])cc3)n12 ZINC000048552313 822672025 /nfs/dbraw/zinc/67/20/25/822672025.db2.gz VQDZPZZYMWDILK-UHFFFAOYSA-O 1 0 382.446 4.310 50 0 GIAARO CCN(C[C@@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1)CC(F)(F)F ZINC000187116651 823013075 /nfs/dbraw/zinc/01/30/75/823013075.db2.gz PVEOBKNZEYFCJN-ZDUSSCGKSA-N 1 0 387.471 4.011 50 0 GIAARO CC(C)N1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000191564494 823700283 /nfs/dbraw/zinc/70/02/83/823700283.db2.gz OKPAGAZJCKTTAH-OALUTQOASA-N 1 0 393.938 4.139 50 0 GIAARO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(-c4noc(C5CC5)n4)cc3)C2)c1 ZINC000169776863 823915568 /nfs/dbraw/zinc/91/55/68/823915568.db2.gz AGBUGNPENHMING-OAQYLSRUSA-N 1 0 391.471 4.276 50 0 GIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000575545362 823975556 /nfs/dbraw/zinc/97/55/56/823975556.db2.gz HAYJDWVXTPBQTI-LJQANCHMSA-N 1 0 376.504 4.347 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](Cc2nc(C4CC4)no2)CCO3)s1 ZINC000575544274 823975682 /nfs/dbraw/zinc/97/56/82/823975682.db2.gz DMFMJAMFERCLMG-MRXNPFEDSA-N 1 0 387.549 4.321 50 0 GIAARO O=C(NC[C@H]1CCOC1)c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000426513798 231232746 /nfs/dbraw/zinc/23/27/46/231232746.db2.gz YQFSZNZIRDAAKW-HXUWFJFHSA-N 1 0 378.516 4.106 50 0 GIAARO CO[C@]12CC[N@H+](Cc3cccc4cnccc43)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426563367 231241313 /nfs/dbraw/zinc/24/13/13/231241313.db2.gz ZUIPMWTWIBFWJW-ODGPQVTHSA-N 1 0 389.499 4.221 50 0 GIAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4ccccc4C(F)(F)F)cc3)C[C@H]12 ZINC000426615141 231246057 /nfs/dbraw/zinc/24/60/57/231246057.db2.gz LOQLWZIYNNLFMY-LDLYASANSA-N 1 0 388.433 4.252 50 0 GIAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-c3ncccc3C(F)(F)F)cc1)C2 ZINC000426503075 529831925 /nfs/dbraw/zinc/83/19/25/529831925.db2.gz RKFGNCUEGFYEPG-DLBZAZTESA-N 1 0 389.421 4.076 50 0 GIAARO CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+](C)C)c1ccccc1CC2 ZINC000001232677 212230790 /nfs/dbraw/zinc/23/07/90/212230790.db2.gz TZWHYEACBSUGNR-UHFFFAOYSA-N 1 0 395.503 4.359 50 0 GIAARO CCOC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000001191745 212226851 /nfs/dbraw/zinc/22/68/51/212226851.db2.gz WOQZROCEBJQFCD-IBGZPJMESA-N 1 0 387.277 4.467 50 0 GIAARO CC(C)(C)[NH2+][C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000001170902 212224601 /nfs/dbraw/zinc/22/46/01/212224601.db2.gz MHJPTSNUUIOCHW-RTWAWAEBSA-N 1 0 380.513 4.302 50 0 GIAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000000934765 212196801 /nfs/dbraw/zinc/19/68/01/212196801.db2.gz ZPIFOWWWLQBUDQ-LJQANCHMSA-N 1 0 385.870 4.445 50 0 GIAARO COc1ccc(C(=O)N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000000872153 212191915 /nfs/dbraw/zinc/19/19/15/212191915.db2.gz HJEXLNWUOBSRMM-UHFFFAOYSA-N 1 0 378.516 4.179 50 0 GIAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(Br)cc1 ZINC000000819138 212185270 /nfs/dbraw/zinc/18/52/70/212185270.db2.gz RORVROOQVGQESF-UHFFFAOYSA-N 1 0 386.249 4.190 50 0 GIAARO C[NH+](C)CCCc1cc(C(=O)Nc2ccc(-c3ccncc3)cc2)ccc1O ZINC000000599925 212163798 /nfs/dbraw/zinc/16/37/98/212163798.db2.gz ZAGAUUVCYGSPBP-UHFFFAOYSA-N 1 0 375.472 4.201 50 0 in-vivo GIAARO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1F)Cc1ccc(-n2cccn2)cc1 ZINC000011935819 212078308 /nfs/dbraw/zinc/07/83/08/212078308.db2.gz XNQFELLGNUDNJJ-UHFFFAOYSA-N 1 0 379.414 4.173 50 0 GIAARO COc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)ccc1OCc1ccccc1 ZINC000006601291 220944762 /nfs/dbraw/zinc/94/47/62/220944762.db2.gz DQKQMQQAJZCKTQ-UHFFFAOYSA-N 1 0 396.531 4.269 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCOC(C)C)cc1 ZINC000006784927 220961342 /nfs/dbraw/zinc/96/13/42/220961342.db2.gz NWYIJQSGROMKBV-UHFFFAOYSA-N 1 0 379.504 4.453 50 0 GIAARO CSc1ccc(Cl)c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000007719050 221008139 /nfs/dbraw/zinc/00/81/39/221008139.db2.gz CGUGJVOZBDPZAX-UHFFFAOYSA-N 1 0 375.925 4.066 50 0 GIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)c(OC)c1 ZINC000007741038 221009530 /nfs/dbraw/zinc/00/95/30/221009530.db2.gz DFXHDPPGJATJPZ-LJQANCHMSA-N 1 0 395.455 4.161 50 0 GIAARO Clc1cccc(Cl)c1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000007541318 221001040 /nfs/dbraw/zinc/00/10/40/221001040.db2.gz NUQDWGDFWCUQHO-UHFFFAOYSA-N 1 0 394.331 4.241 50 0 GIAARO Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c1 ZINC000007544001 221001373 /nfs/dbraw/zinc/00/13/73/221001373.db2.gz MGYUGYRNIXTIBA-IBGZPJMESA-N 1 0 390.531 4.125 50 0 GIAARO c1ccc(-n2nnnc2SCCC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000007541306 221001492 /nfs/dbraw/zinc/00/14/92/221001492.db2.gz FDBRZADRRHQNAA-UHFFFAOYSA-N 1 0 375.501 4.088 50 0 GIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007654733 221004448 /nfs/dbraw/zinc/00/44/48/221004448.db2.gz WXMITVABVFHPFM-MJGOQNOKSA-N 1 0 390.405 4.342 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cccnc1Sc1ccccc1)Cc1ccccc1 ZINC000007990904 221022396 /nfs/dbraw/zinc/02/23/96/221022396.db2.gz VGDCCKCXHKWXEV-LJQANCHMSA-N 1 0 391.540 4.136 50 0 GIAARO O=C(/C=C/c1ccc(Br)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012337 221023242 /nfs/dbraw/zinc/02/32/42/221023242.db2.gz MHDYRWALAZJCGA-FMIVXFBMSA-N 1 0 399.332 4.375 50 0 GIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1csc(-c2cccs2)n1 ZINC000008039897 221025146 /nfs/dbraw/zinc/02/51/46/221025146.db2.gz LLTXYBGOVVHARG-UHFFFAOYSA-N 1 0 383.542 4.397 50 0 GIAARO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008073959 221025870 /nfs/dbraw/zinc/02/58/70/221025870.db2.gz SOCVHXZQYBLRNO-MRXNPFEDSA-N 1 0 391.540 4.454 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000008126341 221026890 /nfs/dbraw/zinc/02/68/90/221026890.db2.gz XNMRFLJYUBXLMS-JOCHJYFZSA-N 1 0 388.515 4.437 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008326339 221036679 /nfs/dbraw/zinc/03/66/79/221036679.db2.gz YOWKFOCDMUXNPA-INIZCTEOSA-N 1 0 384.303 4.442 50 0 GIAARO COc1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)c1OC ZINC000008863007 221060667 /nfs/dbraw/zinc/06/06/67/221060667.db2.gz FTMBSGWCWCCWCD-SFHVURJKSA-N 1 0 388.533 4.112 50 0 GIAARO Cc1cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)ccc1F ZINC000008901522 221063484 /nfs/dbraw/zinc/06/34/84/221063484.db2.gz IOXFMDAYCKDKED-IBGZPJMESA-N 1 0 396.553 4.091 50 0 GIAARO COc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCCCC2)cc1 ZINC000008613315 221047689 /nfs/dbraw/zinc/04/76/89/221047689.db2.gz WWNKHHINVBSDIR-QHCPKHFHSA-N 1 0 396.531 4.034 50 0 GIAARO O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000009227384 221074535 /nfs/dbraw/zinc/07/45/35/221074535.db2.gz KAAXTUKFCMCQLJ-UHFFFAOYSA-N 1 0 398.869 4.384 50 0 GIAARO CCc1ccc2c(CC(=O)NCc3ccccc3C[NH+]3CCCC3)coc2c1 ZINC000009377288 221078733 /nfs/dbraw/zinc/07/87/33/221078733.db2.gz LGVBPPSRCJOSQS-UHFFFAOYSA-N 1 0 376.500 4.450 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000009579305 221086252 /nfs/dbraw/zinc/08/62/52/221086252.db2.gz BTLVZJNEVQHDKJ-OAQYLSRUSA-N 1 0 381.520 4.081 50 0 GIAARO CCOc1c(C[NH2+]Cc2ccc(OC)cc2)cc(Br)cc1OC ZINC000010475393 221103843 /nfs/dbraw/zinc/10/38/43/221103843.db2.gz UOLVKRSUXBGSME-UHFFFAOYSA-N 1 0 380.282 4.155 50 0 GIAARO CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3ccccc3)C[C@H]21 ZINC000010214293 221097929 /nfs/dbraw/zinc/09/79/29/221097929.db2.gz JIAGMAYYPAVKPG-OAQYLSRUSA-N 1 0 391.515 4.441 50 0 GIAARO CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C)CC2)cc1 ZINC000010213830 221098233 /nfs/dbraw/zinc/09/82/33/221098233.db2.gz PFIBBOMZMPRQOC-NRFANRHFSA-N 1 0 377.488 4.051 50 0 GIAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(C)c(C)c4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000011771993 221124945 /nfs/dbraw/zinc/12/49/45/221124945.db2.gz BEBWNDMTMBOBSG-RSEQLOHWSA-N 1 0 390.527 4.250 50 0 GIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000011814706 221126621 /nfs/dbraw/zinc/12/66/21/221126621.db2.gz QZVQDFZALZRNEB-LJQANCHMSA-N 1 0 398.547 4.131 50 0 GIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000011840620 221130751 /nfs/dbraw/zinc/13/07/51/221130751.db2.gz CLVOILPJHZOTIZ-QFIPXVFZSA-N 1 0 391.458 4.114 50 0 GIAARO CCN1C[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1=O ZINC000011873490 221133756 /nfs/dbraw/zinc/13/37/56/221133756.db2.gz KIWUQJIWVDHJMH-GOSISDBHSA-N 1 0 394.563 4.093 50 0 GIAARO Fc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c1 ZINC000011663203 221120017 /nfs/dbraw/zinc/12/00/17/221120017.db2.gz OSEMTYKQCMJFNG-IBGZPJMESA-N 1 0 394.450 4.021 50 0 GIAARO Cc1ccoc1C(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011936809 221138486 /nfs/dbraw/zinc/13/84/86/221138486.db2.gz WEIDITNZLARTKC-UHFFFAOYSA-N 1 0 381.520 4.280 50 0 GIAARO O=C(N1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1)C1(C(F)(F)F)CC1 ZINC000012072512 221146796 /nfs/dbraw/zinc/14/67/96/221146796.db2.gz UXVWMPKRAJLEDH-IBGZPJMESA-N 1 0 394.481 4.132 50 0 GIAARO CCn1cc(C[NH+]2CCC(c3n[nH]cc3CCc3ccccc3)CC2)c(C)n1 ZINC000011912037 221135895 /nfs/dbraw/zinc/13/58/95/221135895.db2.gz CSPNLIAJBAMFQU-UHFFFAOYSA-N 1 0 377.536 4.099 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(OC(C)C)c(CO)c2)cnn1-c1ccccc1 ZINC000012303774 221176922 /nfs/dbraw/zinc/17/69/22/221176922.db2.gz JUCVVIJHOCTNPZ-QGZVFWFLSA-N 1 0 379.504 4.311 50 0 GIAARO CC(C)Cc1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300972 221178473 /nfs/dbraw/zinc/17/84/73/221178473.db2.gz TVPDIWZAKVQGHQ-HXUWFJFHSA-N 1 0 386.559 4.134 50 0 GIAARO CN(C)c1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012306181 221178963 /nfs/dbraw/zinc/17/89/63/221178963.db2.gz CRUKWRSNLJCXMX-DEOSSOPVSA-N 1 0 395.522 4.020 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cnn1-c1cccc(F)c1 ZINC000012194747 221165594 /nfs/dbraw/zinc/16/55/94/221165594.db2.gz TXVHTGPSBYMXBA-MRXNPFEDSA-N 1 0 375.451 4.356 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)[C@@H]2CCOC2)cc1F ZINC000012196997 221166808 /nfs/dbraw/zinc/16/68/08/221166808.db2.gz NYGHQFPCHIBHHY-LJQANCHMSA-N 1 0 395.478 4.216 50 0 GIAARO COc1ccc2cc(C[NH2+]C3CCCCCC3)c(N3CCC[C@@H](CO)C3)nc2c1 ZINC000012245557 221173441 /nfs/dbraw/zinc/17/34/41/221173441.db2.gz OAGOTOJYTQJOMM-GOSISDBHSA-N 1 0 397.563 4.265 50 0 GIAARO Cc1ccccc1CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012429485 221191913 /nfs/dbraw/zinc/19/19/13/221191913.db2.gz IAFCBLYBABTMSQ-NRFANRHFSA-N 1 0 396.550 4.480 50 0 GIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000012437460 221193148 /nfs/dbraw/zinc/19/31/48/221193148.db2.gz BNTFVVLOHGDYFU-INIZCTEOSA-N 1 0 396.441 4.206 50 0 GIAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000012448226 221197251 /nfs/dbraw/zinc/19/72/51/221197251.db2.gz NBORXPYLYALTTO-UHFFFAOYSA-N 1 0 388.471 4.120 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@H]2CO)c(C)s1 ZINC000012459027 221198416 /nfs/dbraw/zinc/19/84/16/221198416.db2.gz DEHRQIGVFZBGFI-KRWDZBQOSA-N 1 0 385.508 4.313 50 0 GIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000012454440 221198992 /nfs/dbraw/zinc/19/89/92/221198992.db2.gz SRBMAPUHHXRLOA-HXUWFJFHSA-N 1 0 396.531 4.012 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2c(cccc2F)s1 ZINC000012557638 221206740 /nfs/dbraw/zinc/20/67/40/221206740.db2.gz WURSMABBFFGAHU-UHFFFAOYSA-N 1 0 383.492 4.353 50 0 GIAARO Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000012573073 221208062 /nfs/dbraw/zinc/20/80/62/221208062.db2.gz AXSFEBOTZISIQJ-UHFFFAOYSA-N 1 0 387.911 4.138 50 0 GIAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2ccc(Cl)s2)CC1 ZINC000012572100 221208907 /nfs/dbraw/zinc/20/89/07/221208907.db2.gz NFTRPBTVVWAAAR-UHFFFAOYSA-N 1 0 376.953 4.428 50 0 GIAARO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](Nc4ccc(F)cc4)C3)cn2)cc1 ZINC000012571304 221209218 /nfs/dbraw/zinc/20/92/18/221209218.db2.gz RZPGYIXPMKDTMS-OAQYLSRUSA-N 1 0 392.478 4.368 50 0 GIAARO CC(C)n1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)cn1 ZINC000012385769 221187265 /nfs/dbraw/zinc/18/72/65/221187265.db2.gz YNFNIOOXSCFBAD-VCOUNFBDSA-N 1 0 398.938 4.055 50 0 GIAARO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000012595966 221213230 /nfs/dbraw/zinc/21/32/30/221213230.db2.gz HEPQNPXZZGUDQZ-LLVKDONJSA-N 1 0 381.259 4.069 50 0 GIAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@@H](O)c1ccccc1)CC2 ZINC000012624440 221215929 /nfs/dbraw/zinc/21/59/29/221215929.db2.gz VVHYMQWHTKCPDC-RDGATRHJSA-N 1 0 389.495 4.385 50 0 GIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cc(F)ccc3F)oc2C)C1 ZINC000012709926 221219714 /nfs/dbraw/zinc/21/97/14/221219714.db2.gz KGPJWTCKJWWUNS-OAHLLOKOSA-N 1 0 391.462 4.009 50 0 GIAARO CCCn1ncc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c1C ZINC000012717353 221220645 /nfs/dbraw/zinc/22/06/45/221220645.db2.gz KORLUOYBPWQXEV-GOSISDBHSA-N 1 0 386.515 4.372 50 0 GIAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012715606 221221681 /nfs/dbraw/zinc/22/16/81/221221681.db2.gz DQRXSRASUWFJRZ-HXUWFJFHSA-N 1 0 378.520 4.058 50 0 GIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C)oc1C ZINC000012589301 221211661 /nfs/dbraw/zinc/21/16/61/221211661.db2.gz HLEOWZVZGQPICN-FQEVSTJZSA-N 1 0 386.511 4.452 50 0 GIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OCc2ccccc2)c1 ZINC000012798328 221233869 /nfs/dbraw/zinc/23/38/69/221233869.db2.gz PXVHOKCXVKBPLI-QHCPKHFHSA-N 1 0 386.495 4.270 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000012755735 221225220 /nfs/dbraw/zinc/22/52/20/221225220.db2.gz GGSKRZABZBPEMX-AWEZNQCLSA-N 1 0 386.858 4.263 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)n(-c2ccc(F)cc2)n1 ZINC000012754359 221225886 /nfs/dbraw/zinc/22/58/86/221225886.db2.gz IKKJCZCBOXREIF-QFIPXVFZSA-N 1 0 380.467 4.245 50 0 GIAARO COc1cccc(C[N@H+](C)CCC(=O)Nc2cccc3ccccc32)c1OC ZINC000012754529 221226149 /nfs/dbraw/zinc/22/61/49/221226149.db2.gz QNZGYHZHQOWECR-UHFFFAOYSA-N 1 0 378.472 4.318 50 0 GIAARO CC(C)c1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(C)C)cc1 ZINC000012903242 221244365 /nfs/dbraw/zinc/24/43/65/221244365.db2.gz DQISDSMCHSLFEH-YCRPNKLZSA-N 1 0 394.519 4.294 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000012873892 221240372 /nfs/dbraw/zinc/24/03/72/221240372.db2.gz MXBGTJDQXRKVFJ-IBGZPJMESA-N 1 0 393.512 4.033 50 0 GIAARO OCC1(CCc2ccccc2)CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000013594605 221275231 /nfs/dbraw/zinc/27/52/31/221275231.db2.gz QFHCSMRWEZDPFT-UHFFFAOYSA-N 1 0 375.459 4.495 50 0 GIAARO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000014077354 221298234 /nfs/dbraw/zinc/29/82/34/221298234.db2.gz ZUEHQQRQNOGCOM-FOIQADDNSA-N 1 0 389.517 4.336 50 0 GIAARO C[C@@H]1C[N@@H+](CCCCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000014083973 221298375 /nfs/dbraw/zinc/29/83/75/221298375.db2.gz KGFQXFPDAMZRDI-BETUJISGSA-N 1 0 376.722 4.371 50 0 GIAARO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc(OC)c1OC ZINC000014137405 221299857 /nfs/dbraw/zinc/29/98/57/221299857.db2.gz NBILIFDKVGBVMQ-LBPRGKRZSA-N 1 0 380.282 4.326 50 0 GIAARO CC[N@@H+](Cc1ccc(OC)c(F)c1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000014128991 221300159 /nfs/dbraw/zinc/30/01/59/221300159.db2.gz JSTULRYVORSFOB-DENIHFKCSA-N 1 0 387.495 4.111 50 0 GIAARO Cc1nc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)s1 ZINC000014963518 221321583 /nfs/dbraw/zinc/32/15/83/221321583.db2.gz LAPUZDPNZVNFAD-QHCPKHFHSA-N 1 0 397.588 4.321 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2c[nH]c3ccccc23)CC1)C1CCCC1 ZINC000014962762 221321611 /nfs/dbraw/zinc/32/16/11/221321611.db2.gz SMGXYVFAYKLJEX-UHFFFAOYSA-N 1 0 391.519 4.330 50 0 GIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](CCCC(F)(F)F)CC3)on2)c1 ZINC000014965340 221321746 /nfs/dbraw/zinc/32/17/46/221321746.db2.gz QDYIZRMDOUMNQK-UHFFFAOYSA-N 1 0 398.425 4.062 50 0 GIAARO O=C(c1ccnc(Cl)c1)N1CCC[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000014963731 221322266 /nfs/dbraw/zinc/32/22/66/221322266.db2.gz GIFZTGLSSORCCY-FTWXOEDXSA-N 1 0 395.934 4.375 50 0 GIAARO c1cc2cnccc2c(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000014978676 221323439 /nfs/dbraw/zinc/32/34/39/221323439.db2.gz LMNSCYQGANGAKT-FQEVSTJZSA-N 1 0 375.472 4.083 50 0 GIAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000014956253 221320759 /nfs/dbraw/zinc/32/07/59/221320759.db2.gz YEHISYJHULJIJN-MRXNPFEDSA-N 1 0 395.425 4.158 50 0 GIAARO CCN1CCN(C(=O)CCC2CC[NH+](C[C@@H](C)CCC=C(C)C)CC2)CC1 ZINC000014979902 221323580 /nfs/dbraw/zinc/32/35/80/221323580.db2.gz RAHQZNHHLMRGDX-NRFANRHFSA-N 1 0 377.617 4.025 50 0 GIAARO Cc1nc(N2CCC[C@@H]([NH2+]CCc3cccs3)CC2)nc2ccc(F)cc12 ZINC000014987757 221324885 /nfs/dbraw/zinc/32/48/85/221324885.db2.gz FXQLAHGOJJMFRX-QGZVFWFLSA-N 1 0 384.524 4.330 50 0 GIAARO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)NCc1ccco1 ZINC000014992793 221325198 /nfs/dbraw/zinc/32/51/98/221325198.db2.gz PGNAPLPUCXGTDJ-QFIPXVFZSA-N 1 0 394.446 4.061 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2cc(F)ccc2-n2cccn2)cnn1-c1cccc(F)c1 ZINC000015064941 221327755 /nfs/dbraw/zinc/32/77/55/221327755.db2.gz AZYCYOSUCXNEHK-OAHLLOKOSA-N 1 0 393.441 4.495 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)Nc3ccccc3F)C2)cc1 ZINC000015076799 221331559 /nfs/dbraw/zinc/33/15/59/221331559.db2.gz XOKIGICAHNMAMV-IBGZPJMESA-N 1 0 399.510 4.253 50 0 GIAARO CC(C)[N@H+](CCNC(=O)c1noc2c1CCc1sccc1-2)Cc1ccccc1 ZINC000015733302 221342311 /nfs/dbraw/zinc/34/23/11/221342311.db2.gz CBAPCKRLTKIBRK-UHFFFAOYSA-N 1 0 395.528 4.142 50 0 GIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2cccs2)on1 ZINC000015859698 221349161 /nfs/dbraw/zinc/34/91/61/221349161.db2.gz LVGYGRDIFVLFRG-HNNXBMFYSA-N 1 0 387.530 4.422 50 0 GIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000016442789 221363711 /nfs/dbraw/zinc/36/37/11/221363711.db2.gz CLDKLSSHOBAMMJ-KRWDZBQOSA-N 1 0 395.503 4.151 50 0 GIAARO COc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000016606820 221366280 /nfs/dbraw/zinc/36/62/80/221366280.db2.gz DHIUCMDWOJYLMB-UHFFFAOYSA-N 1 0 388.895 4.208 50 0 GIAARO Brc1ccc(-c2ccc(C[NH2+]CCc3nnc4ccccn43)o2)cc1 ZINC000017319002 221383593 /nfs/dbraw/zinc/38/35/93/221383593.db2.gz OJGONUSHBGWMET-UHFFFAOYSA-N 1 0 397.276 4.084 50 0 GIAARO O=C(CCCc1nc2ccccc2s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017362955 221383920 /nfs/dbraw/zinc/38/39/20/221383920.db2.gz GYKKAGXUBOPDEN-UHFFFAOYSA-N 1 0 393.556 4.400 50 0 GIAARO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c(=O)n1Cc1ccco1 ZINC000016993915 221375307 /nfs/dbraw/zinc/37/53/07/221375307.db2.gz UZMNQFZRVZTVNE-JOCHJYFZSA-N 1 0 396.462 4.218 50 0 GIAARO COc1ccccc1-c1cc(C(=O)NCC[NH+](C)C)c2ccc(Cl)c(C)c2n1 ZINC000017081402 221378580 /nfs/dbraw/zinc/37/85/80/221378580.db2.gz ZQFZTHFKEBLINY-UHFFFAOYSA-N 1 0 397.906 4.164 50 0 GIAARO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874834 221515394 /nfs/dbraw/zinc/51/53/94/221515394.db2.gz LCPHQKAIKLLOCK-GOSISDBHSA-N 1 0 377.912 4.487 50 0 GIAARO COc1cccc(-c2ccc(C(=O)N(C)C[C@H]3CC[N@H+](CC(C)C)C3)cc2)c1 ZINC000426715912 533370661 /nfs/dbraw/zinc/37/06/61/533370661.db2.gz LYUUHRCOCJYUJG-LJQANCHMSA-N 1 0 380.532 4.412 50 0 GIAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccc(C)cc3C)CC2)c1 ZINC000040095368 132395320 /nfs/dbraw/zinc/39/53/20/132395320.db2.gz QEKZKVWTODUJRR-UHFFFAOYSA-N 1 0 394.563 4.336 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCCc1ccc(Cl)cc1 ZINC000040140993 132399853 /nfs/dbraw/zinc/39/98/53/132399853.db2.gz DSZISEKPYGXSDL-UHFFFAOYSA-N 1 0 385.939 4.362 50 0 GIAARO OCC[C@@H]1CN(c2ccnc3c2cccc3C(F)(F)F)CC[N@@H+]1C1CCCC1 ZINC000072411853 136169677 /nfs/dbraw/zinc/16/96/77/136169677.db2.gz WOKORVOSMIFUDZ-MRXNPFEDSA-N 1 0 393.453 4.069 50 0 GIAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095497498 136179699 /nfs/dbraw/zinc/17/96/99/136179699.db2.gz RVIWCXAPPIBPMB-SFHVURJKSA-N 1 0 397.954 4.420 50 0 GIAARO Cc1cc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)nc(C)n1 ZINC000096524732 136187300 /nfs/dbraw/zinc/18/73/00/136187300.db2.gz CNTUIAZBJKXBDP-UHFFFAOYSA-N 1 0 387.531 4.028 50 0 GIAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)[NH+]1CCN(c2ccccn2)CC1 ZINC000004162702 136193697 /nfs/dbraw/zinc/19/36/97/136193697.db2.gz VGBFMJZIVZINMP-XMMPIXPASA-N 1 0 383.499 4.178 50 0 GIAARO O=C1c2ccccc2C(=CNc2cc[nH+]cc2)C(=O)N1c1ccccc1Cl ZINC000008178679 136195400 /nfs/dbraw/zinc/19/54/00/136195400.db2.gz KZDXKJYRIKOWOX-GHRIWEEISA-N 1 0 375.815 4.375 50 0 GIAARO Cc1[nH]c2cc(C)ccc2c1[C@H](O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000020057332 136202444 /nfs/dbraw/zinc/20/24/44/136202444.db2.gz UUHTWGVGWOAKIR-HSZRJFAPSA-N 1 0 377.532 4.257 50 0 GIAARO Cc1ncsc1CC[NH2+]C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000023581289 221601235 /nfs/dbraw/zinc/60/12/35/221601235.db2.gz DIBQSKQBHUNYHG-UHFFFAOYSA-N 1 0 384.574 4.376 50 0 GIAARO O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115833 221609071 /nfs/dbraw/zinc/60/90/71/221609071.db2.gz ARSPERMJDCUDPC-UHFFFAOYSA-N 1 0 397.569 4.326 50 0 GIAARO C[N@H+](Cc1ccccc1NC(=O)C1CCN(C(=O)C2CC2)CC1)C1CCCCC1 ZINC000032904222 221747016 /nfs/dbraw/zinc/74/70/16/221747016.db2.gz OMBRZRURPNEVEQ-UHFFFAOYSA-N 1 0 397.563 4.038 50 0 GIAARO Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036104672 221843649 /nfs/dbraw/zinc/84/36/49/221843649.db2.gz ZVOCTUWJGPYWJJ-QFIPXVFZSA-N 1 0 383.463 4.307 50 0 GIAARO COc1ccc([C@@H](CNC(=O)CCOc2ccccc2C)[NH+]2CCCCC2)cc1 ZINC000036448846 221858617 /nfs/dbraw/zinc/85/86/17/221858617.db2.gz ABZBKCTWHRYXND-JOCHJYFZSA-N 1 0 396.531 4.116 50 0 GIAARO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)n1cnc2ccccc21 ZINC000040112362 221906632 /nfs/dbraw/zinc/90/66/32/221906632.db2.gz LSACSXOEQFENOL-RBUKOAKNSA-N 1 0 390.531 4.288 50 0 GIAARO C[NH2+]CCCNCc1cccc(OC)c1OCc1c(Cl)cccc1Cl ZINC000040719464 221926886 /nfs/dbraw/zinc/92/68/86/221926886.db2.gz OXZGNSWTKGXUEE-UHFFFAOYSA-N 1 0 383.319 4.280 50 0 GIAARO CCc1cc2c(C[N@@H+]3CCC[C@@H]3c3cccc(OC)c3)cc(=O)oc2cc1O ZINC000057529545 222035614 /nfs/dbraw/zinc/03/56/14/222035614.db2.gz RUKOIGMPOBUIQT-HXUWFJFHSA-N 1 0 379.456 4.407 50 0 GIAARO Cc1cccc(C(=O)Nc2cccc(NC(=O)CC[C@@H]3CCC[N@@H+](C)C3)c2)c1 ZINC000055369870 222019818 /nfs/dbraw/zinc/01/98/18/222019818.db2.gz UPENFYTZVNVBQK-SFHVURJKSA-N 1 0 379.504 4.308 50 0 GIAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCOc3cccc(F)c3)cc2)C1 ZINC000058064397 222038685 /nfs/dbraw/zinc/03/86/85/222038685.db2.gz GHYOYHFGHDRKRG-SFHVURJKSA-N 1 0 384.495 4.143 50 0 GIAARO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1OCC ZINC000058179463 222043217 /nfs/dbraw/zinc/04/32/17/222043217.db2.gz OYVAROHDNMCWHT-FXAWDEMLSA-N 1 0 382.504 4.049 50 0 GIAARO O=C(Nc1cccc(OCCc2ccccc2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058216510 222046322 /nfs/dbraw/zinc/04/63/22/222046322.db2.gz USJHPGYQCWAUIC-JOCHJYFZSA-N 1 0 393.531 4.400 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCc2cccnc2)c1)C1CCCCC1 ZINC000058341915 222049406 /nfs/dbraw/zinc/04/94/06/222049406.db2.gz UBPZOEIFBIVEGI-JOCHJYFZSA-N 1 0 396.535 4.293 50 0 GIAARO O=C(CCOc1cccc(Cl)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058392074 222050515 /nfs/dbraw/zinc/05/05/15/222050515.db2.gz NQGZHJVURMZXPE-UHFFFAOYSA-N 1 0 390.886 4.029 50 0 GIAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000058445840 222054200 /nfs/dbraw/zinc/05/42/00/222054200.db2.gz LRRQTUSQZIUAFZ-ZWKOTPCHSA-N 1 0 379.287 4.442 50 0 GIAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 ZINC000061720465 222062329 /nfs/dbraw/zinc/06/23/29/222062329.db2.gz UPEDLYRJCFFGER-VWNXMTODSA-N 1 0 388.442 4.329 50 0 GIAARO C[N@@H+]1CCCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000061997279 222064297 /nfs/dbraw/zinc/06/42/97/222064297.db2.gz INPIMIKMYSYCCS-UHFFFAOYSA-N 1 0 385.471 4.094 50 0 GIAARO CC[NH+](CC)CCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657661 222077072 /nfs/dbraw/zinc/07/70/72/222077072.db2.gz SHKWEMQJWVHJAH-UHFFFAOYSA-N 1 0 389.952 4.481 50 0 GIAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cn(CC)c3ccc(Cl)cc23)CC1 ZINC000064669711 222077646 /nfs/dbraw/zinc/07/76/46/222077646.db2.gz FFACRNHHEGOJHM-HNNXBMFYSA-N 1 0 375.944 4.441 50 0 GIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967957 222090457 /nfs/dbraw/zinc/09/04/57/222090457.db2.gz QPUGFEAGIKOUGX-UHFFFAOYSA-N 1 0 377.488 4.024 50 0 GIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967962 222090778 /nfs/dbraw/zinc/09/07/78/222090778.db2.gz LFJLLAPXRPVMPS-UHFFFAOYSA-N 1 0 377.488 4.024 50 0 GIAARO c1cc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)n(-c2nccs2)c1 ZINC000065456684 222130331 /nfs/dbraw/zinc/13/03/31/222130331.db2.gz KFTWMIFCYVXFJZ-IBGZPJMESA-N 1 0 387.512 4.380 50 0 GIAARO CC(C)C[NH+]1CCC(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000065550107 222132642 /nfs/dbraw/zinc/13/26/42/222132642.db2.gz HDWNQEBAZYMWST-UHFFFAOYSA-N 1 0 388.943 4.009 50 0 GIAARO c1cnn(Cc2ccccc2-c2c(-c3ccccc3)ncn2C2CC[NH2+]CC2)c1 ZINC000065532743 222134201 /nfs/dbraw/zinc/13/42/01/222134201.db2.gz OZGOHFDYNVOQRA-UHFFFAOYSA-N 1 0 383.499 4.386 50 0 GIAARO C[N@H+](CCc1ccccn1)C1CCC2(CC1)CCN(C(=O)c1ccco1)CC2 ZINC000067934561 222167863 /nfs/dbraw/zinc/16/78/63/222167863.db2.gz RRHBKDQRXMVTLV-UHFFFAOYSA-N 1 0 381.520 4.014 50 0 GIAARO COc1ccc2cc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000069773256 222175241 /nfs/dbraw/zinc/17/52/41/222175241.db2.gz TUEWXDHKYVCELY-UHFFFAOYSA-N 1 0 397.906 4.224 50 0 GIAARO O=C(CCc1nc2ccccc2[nH]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000069487058 222175542 /nfs/dbraw/zinc/17/55/42/222175542.db2.gz PNVMFJOZUXCRBL-UHFFFAOYSA-N 1 0 390.531 4.188 50 0 GIAARO Cc1noc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071751360 222191398 /nfs/dbraw/zinc/19/13/98/222191398.db2.gz ZZJYOHQEZQBHIP-LJQANCHMSA-N 1 0 388.487 4.195 50 0 GIAARO Cc1nc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)s1 ZINC000071762452 222193277 /nfs/dbraw/zinc/19/32/77/222193277.db2.gz CFVWUYVXBDDUHS-LJQANCHMSA-N 1 0 389.540 4.272 50 0 GIAARO Cc1cccc2cc(C[N@@H+]3CCNC(=O)CC3)c(-c3cccc(Cl)c3)nc12 ZINC000072478233 222267153 /nfs/dbraw/zinc/26/71/53/222267153.db2.gz ZFCCXVSRUQTYOB-UHFFFAOYSA-N 1 0 379.891 4.186 50 0 GIAARO Cc1ccc(C)c(-n2cc(C[N@@H+](C)CC3(CO)CC3)c(-c3ccccc3)n2)c1 ZINC000072410964 222257673 /nfs/dbraw/zinc/25/76/73/222257673.db2.gz WAERTXFKYPCJMZ-UHFFFAOYSA-N 1 0 375.516 4.360 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@@H](O)C2)cc1OC ZINC000072425435 222258930 /nfs/dbraw/zinc/25/89/30/222258930.db2.gz LDOQQFWGMWFACV-HXUWFJFHSA-N 1 0 392.499 4.184 50 0 GIAARO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@@H+]3CCC[C@@H](O)C3)cc12 ZINC000072424582 222259574 /nfs/dbraw/zinc/25/95/74/222259574.db2.gz DRWLUANKPCKQMZ-LJQANCHMSA-N 1 0 392.499 4.184 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+]1CCC(O)CC1 ZINC000072429605 222259963 /nfs/dbraw/zinc/25/99/63/222259963.db2.gz JDUZORLFBHPWJV-UHFFFAOYSA-N 1 0 383.442 4.083 50 0 GIAARO CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccccc4)C3)C2)nc1 ZINC000072435988 222260680 /nfs/dbraw/zinc/26/06/80/222260680.db2.gz BJQUFUXEFKCYTE-XMMPIXPASA-N 1 0 377.532 4.049 50 0 GIAARO OC1CC[NH+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 ZINC000072447930 222262763 /nfs/dbraw/zinc/26/27/63/222262763.db2.gz AJOCORWWPQKSAI-UHFFFAOYSA-N 1 0 385.870 4.289 50 0 GIAARO COC[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000072474894 222264579 /nfs/dbraw/zinc/26/45/79/222264579.db2.gz IHXFRHZKTOTQSI-IBGZPJMESA-N 1 0 395.478 4.298 50 0 GIAARO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1ccccc1 ZINC000085395640 222323351 /nfs/dbraw/zinc/32/33/51/222323351.db2.gz WBGCLWQQDKRSMJ-RBBKRZOGSA-N 1 0 392.499 4.360 50 0 GIAARO CC(C)n1ccnc1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000095508687 222340528 /nfs/dbraw/zinc/34/05/28/222340528.db2.gz MGQNUODKAKYTGE-QFIPXVFZSA-N 1 0 394.563 4.225 50 0 GIAARO CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000077340813 222278661 /nfs/dbraw/zinc/27/86/61/222278661.db2.gz HCGJUKXHNVEHEK-KRWDZBQOSA-N 1 0 377.513 4.159 50 0 GIAARO CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000077340809 222279311 /nfs/dbraw/zinc/27/93/11/222279311.db2.gz HCGJUKXHNVEHEK-QGZVFWFLSA-N 1 0 377.513 4.159 50 0 GIAARO CN(C)c1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000079054187 222302011 /nfs/dbraw/zinc/30/20/11/222302011.db2.gz MDNLSBOXMJYRFY-UHFFFAOYSA-N 1 0 380.945 4.063 50 0 GIAARO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(-c2ccccc2)on1 ZINC000079053844 222302184 /nfs/dbraw/zinc/30/21/84/222302184.db2.gz AECFTVNQXJALBR-UHFFFAOYSA-N 1 0 383.414 4.078 50 0 GIAARO O=C1Nc2ccccc2NC12CC[NH+](Cc1ccccc1C(F)(F)F)CC2 ZINC000082147935 222309909 /nfs/dbraw/zinc/30/99/09/222309909.db2.gz MXHALSANVRFAIT-UHFFFAOYSA-N 1 0 375.394 4.104 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2nccs2)C[C@H]2CCCO2)CC1 ZINC000095525417 222349188 /nfs/dbraw/zinc/34/91/88/222349188.db2.gz REOPMQBKQYPSMO-JOCHJYFZSA-N 1 0 399.604 4.345 50 0 GIAARO CC(C)c1nc2cc(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4)C3)ccc2o1 ZINC000095525861 222350586 /nfs/dbraw/zinc/35/05/86/222350586.db2.gz RZWHVUSXDXWGFV-IBGZPJMESA-N 1 0 377.488 4.171 50 0 GIAARO COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CC[NH+]2CCCCC2)c1 ZINC000095946363 222362848 /nfs/dbraw/zinc/36/28/48/222362848.db2.gz ZPWAHQWOHCGKHM-QHCPKHFHSA-N 1 0 391.515 4.249 50 0 GIAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(C2CC2)nc2ccccc21 ZINC000426571333 534340840 /nfs/dbraw/zinc/34/08/40/534340840.db2.gz AVNXTAZXFJIVPA-FQEVSTJZSA-N 1 0 385.511 4.332 50 0 GIAARO O=C(c1ccc(-c2ccc(F)cc2O)cc1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000426442464 534680344 /nfs/dbraw/zinc/68/03/44/534680344.db2.gz ASUIRLINIAMJBO-HXUWFJFHSA-N 1 0 382.479 4.289 50 0 GIAARO CC(=O)c1cccc(-c2ccc(C(=O)N3CCC4(CC[N@@H+](C)C4)CC3)cc2)c1 ZINC000426442494 527348735 /nfs/dbraw/zinc/34/87/35/527348735.db2.gz FUIYFCNVCMCKOI-UHFFFAOYSA-N 1 0 376.500 4.114 50 0 GIAARO CC(=O)c1cccc(-c2ccc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)cc2)c1 ZINC000426640367 527348862 /nfs/dbraw/zinc/34/88/62/527348862.db2.gz GYXXUAHQKIGVDI-KRWDZBQOSA-N 1 0 376.500 4.255 50 0 GIAARO CC(C)CCNC(=O)CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000019745633 570213536 /nfs/dbraw/zinc/21/35/36/570213536.db2.gz GUWNANRFIIJWMU-QFIPXVFZSA-N 1 0 384.495 4.314 50 0 GIAARO COc1cccc2ccc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)nc21 ZINC000019841886 570225230 /nfs/dbraw/zinc/22/52/30/570225230.db2.gz BHHIHVWHEWVWEV-UHFFFAOYSA-N 1 0 376.500 4.061 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000019922768 570229610 /nfs/dbraw/zinc/22/96/10/570229610.db2.gz AHXZIWLPQAPOAT-LJQANCHMSA-N 1 0 398.890 4.146 50 0 GIAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2ccccc2F)N1c1ccccc1 ZINC000019938657 570232569 /nfs/dbraw/zinc/23/25/69/570232569.db2.gz LJBRESKVERWPSW-XMMPIXPASA-N 1 0 397.453 4.260 50 0 GIAARO COCc1ccccc1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048325959 570236530 /nfs/dbraw/zinc/23/65/30/570236530.db2.gz YMIZHDPNFSGQBK-KDURUIRLSA-N 1 0 380.532 4.241 50 0 GIAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000020295033 570251934 /nfs/dbraw/zinc/25/19/34/570251934.db2.gz IRRAMCVSNMVUCV-PTGVWUEVSA-N 1 0 393.550 4.434 50 0 GIAARO Cc1ccc(CNC(=S)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000020363063 570253167 /nfs/dbraw/zinc/25/31/67/570253167.db2.gz ZHCLYVHMGMCZER-UHFFFAOYSA-N 1 0 389.568 4.341 50 0 GIAARO CNc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)ccn1 ZINC000020453668 570258293 /nfs/dbraw/zinc/25/82/93/570258293.db2.gz INTXMWORZMGEFJ-HSZRJFAPSA-N 1 0 384.568 4.022 50 0 GIAARO Fc1ccc(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)cc1 ZINC000020600073 570269610 /nfs/dbraw/zinc/26/96/10/570269610.db2.gz AQWNXEXPTXUNOF-QFIPXVFZSA-N 1 0 387.930 4.266 50 0 GIAARO CCNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)s1 ZINC000020601095 570269962 /nfs/dbraw/zinc/26/99/62/570269962.db2.gz XZMSBZJXWAYRRT-SFHVURJKSA-N 1 0 380.517 4.021 50 0 GIAARO Cc1c2cccc(C)c2[nH]c1CN1CCC[C@@H]([N@H+](C)CCc2ccccn2)C1 ZINC000020775738 570280008 /nfs/dbraw/zinc/28/00/08/570280008.db2.gz IKKQOKDWGWJDLR-OAQYLSRUSA-N 1 0 376.548 4.319 50 0 GIAARO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035271109 570280177 /nfs/dbraw/zinc/28/01/77/570280177.db2.gz RLODBYXRKBOUDU-CVEARBPZSA-N 1 0 385.895 4.018 50 0 GIAARO Cc1cccc(C(=O)N2CCC[N@@H+]([C@H](C)Cc3nc4ccccc4s3)CC2)c1 ZINC000175408221 570282000 /nfs/dbraw/zinc/28/20/00/570282000.db2.gz VBKDCXDYJJBPTB-GOSISDBHSA-N 1 0 393.556 4.384 50 0 GIAARO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccc(F)cc1Cl ZINC000020876194 570283460 /nfs/dbraw/zinc/28/34/60/570283460.db2.gz UJUKDUYGOXKUSP-QGZVFWFLSA-N 1 0 379.859 4.335 50 0 GIAARO COc1cccc(CNCCC[NH+](C)C)c1OCc1ccc(F)cc1Cl ZINC000020876233 570283484 /nfs/dbraw/zinc/28/34/84/570283484.db2.gz LXNYSGNFJLIGRY-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](C)CC2)c1-c1ccc(Cl)cc1 ZINC000002405032 570285895 /nfs/dbraw/zinc/28/58/95/570285895.db2.gz NZQMGXGSRVUJLQ-UHFFFAOYSA-N 1 0 397.954 4.407 50 0 GIAARO Cc1cc(C)c(C[NH+]2CCC(OCc3ccccn3)CC2)c(-n2cccn2)c1 ZINC000215212997 570286445 /nfs/dbraw/zinc/28/64/45/570286445.db2.gz LHWJGPUQRUOYGN-UHFFFAOYSA-N 1 0 376.504 4.065 50 0 GIAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1cc(F)cc(Cl)c1 ZINC000002515249 570289355 /nfs/dbraw/zinc/28/93/55/570289355.db2.gz PXRDSSAJVKHQDG-UHFFFAOYSA-N 1 0 389.854 4.049 50 0 GIAARO Cc1ccc(Cn2cc(CCC(=O)NCC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000006858144 570291216 /nfs/dbraw/zinc/29/12/16/570291216.db2.gz KAIYOQGBWBWIAT-UHFFFAOYSA-N 1 0 389.543 4.143 50 0 GIAARO COc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)cc1Cl ZINC000021659844 570294147 /nfs/dbraw/zinc/29/41/47/570294147.db2.gz ZCOPBYPCBHJRKA-SFHVURJKSA-N 1 0 390.911 4.453 50 0 GIAARO CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2CC)c2ccccc21 ZINC000021720765 570294962 /nfs/dbraw/zinc/29/49/62/570294962.db2.gz AGNKBNZUQNVTLC-FQEVSTJZSA-N 1 0 395.503 4.400 50 0 GIAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022075680 570305168 /nfs/dbraw/zinc/30/51/68/570305168.db2.gz GRQJCSPHLVGEQT-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO Cc1cc(Cl)c(OCCOCC[NH+]2CCCCC2)c(Br)c1 ZINC000003002109 570325455 /nfs/dbraw/zinc/32/54/55/570325455.db2.gz OEIJSMHPOXNYQV-UHFFFAOYSA-N 1 0 376.722 4.292 50 0 GIAARO COc1cccc(C[N@@H+]2C[C@@H](C(=O)NCC3CC3)CC[C@@H]2c2ccccc2)c1 ZINC000034733805 570325826 /nfs/dbraw/zinc/32/58/26/570325826.db2.gz XDXWLSYWIJRLAO-JTHBVZDNSA-N 1 0 378.516 4.175 50 0 GIAARO COc1cc(C[NH2+]CCOc2ccccn2)ccc1OCc1ccccc1C ZINC000113395771 570330999 /nfs/dbraw/zinc/33/09/99/570330999.db2.gz DVULYLDNDNNOST-UHFFFAOYSA-N 1 0 378.472 4.146 50 0 GIAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)o1 ZINC000023845119 570333376 /nfs/dbraw/zinc/33/33/76/570333376.db2.gz UDWINDWZYMUKEI-UHFFFAOYSA-N 1 0 380.463 4.208 50 0 GIAARO OCC[C@@H]1CN(CC(c2ccccc2)c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000022932812 570337864 /nfs/dbraw/zinc/33/78/64/570337864.db2.gz RUUIFVZIJUTLSQ-XMMPIXPASA-N 1 0 378.560 4.130 50 0 GIAARO O[C@H](COc1cccc2ccccc21)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023118772 570344684 /nfs/dbraw/zinc/34/46/84/570344684.db2.gz CIOAJOQLXNPPEI-NRFANRHFSA-N 1 0 396.918 4.055 50 0 GIAARO COc1cccc([C@@H]2CC[N@@H+]2Cc2ccc(-c3nc(C4CC4)cc(=O)[nH]3)cc2)c1 ZINC000023153600 570347277 /nfs/dbraw/zinc/34/72/77/570347277.db2.gz WYKUBRCLXUGOQX-QFIPXVFZSA-N 1 0 387.483 4.270 50 0 GIAARO COc1cc2c(cc1O)[C@H](Cc1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000003847529 570351859 /nfs/dbraw/zinc/35/18/59/570351859.db2.gz AKAVYGZMOWPRHS-QFIPXVFZSA-N 1 0 375.468 4.409 50 0 GIAARO OCC1CC[NH+]([C@@H]2CCCN(Cc3cccc(Oc4ccccc4)c3)C2)CC1 ZINC000023359037 570356387 /nfs/dbraw/zinc/35/63/87/570356387.db2.gz UFHUPVVEXLDLAE-JOCHJYFZSA-N 1 0 380.532 4.148 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000004123065 570358498 /nfs/dbraw/zinc/35/84/98/570358498.db2.gz PFUSSUPLKHNLGF-UHFFFAOYSA-N 1 0 395.547 4.144 50 0 GIAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000237445651 570359485 /nfs/dbraw/zinc/35/94/85/570359485.db2.gz VHYPZNYJPOATIY-STQMWFEESA-N 1 0 394.302 4.380 50 0 GIAARO COc1ccc(NC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004908652 570361636 /nfs/dbraw/zinc/36/16/36/570361636.db2.gz BSADQGOMOKWFTQ-UHFFFAOYSA-N 1 0 381.520 4.162 50 0 GIAARO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccc(C(N)=O)s3)o2)cc1 ZINC000023506092 570364045 /nfs/dbraw/zinc/36/40/45/570364045.db2.gz NCLPQRJFJRSIKV-QGZVFWFLSA-N 1 0 382.485 4.453 50 0 GIAARO C[C@@H](O)c1cn(C2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)nn1 ZINC000023581773 570365905 /nfs/dbraw/zinc/36/59/05/570365905.db2.gz ZJHDLTHRFMQNIC-GFCCVEGCSA-N 1 0 376.913 4.037 50 0 GIAARO Cc1cc(C)cc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)c1 ZINC000004921957 570369896 /nfs/dbraw/zinc/36/98/96/570369896.db2.gz PIPQWZHSRFDQJT-UHFFFAOYSA-N 1 0 387.483 4.480 50 0 GIAARO Oc1ccc(N2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)cc1 ZINC000023936387 570375486 /nfs/dbraw/zinc/37/54/86/570375486.db2.gz FQOHQWBNIQUQCJ-UHFFFAOYSA-N 1 0 384.483 4.029 50 0 GIAARO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cc1F ZINC000024102439 570378776 /nfs/dbraw/zinc/37/87/76/570378776.db2.gz UIQJNNWYSSZNKL-BXUZGUMPSA-N 1 0 388.266 4.232 50 0 GIAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000035509792 570381937 /nfs/dbraw/zinc/38/19/37/570381937.db2.gz FPMBGRYBAPPGBN-UHFFFAOYSA-N 1 0 390.940 4.124 50 0 GIAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3nc(C(C)C)sc3n2)CC(C)C)cc1 ZINC000035509804 570382367 /nfs/dbraw/zinc/38/23/67/570382367.db2.gz HMMZJVZVKTVYOJ-UHFFFAOYSA-N 1 0 384.549 4.241 50 0 GIAARO Fc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000004670829 570391794 /nfs/dbraw/zinc/39/17/94/570391794.db2.gz KVGWUIURYYEHAX-GOSISDBHSA-N 1 0 394.284 4.436 50 0 GIAARO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000024769843 570392651 /nfs/dbraw/zinc/39/26/51/570392651.db2.gz YQKNLSYONVWDFV-UHFFFAOYSA-N 1 0 394.393 4.142 50 0 GIAARO CCCCNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000005043764 570405128 /nfs/dbraw/zinc/40/51/28/570405128.db2.gz RSCHDROGRHFAPJ-UHFFFAOYSA-N 1 0 389.927 4.432 50 0 GIAARO COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000004898987 570416460 /nfs/dbraw/zinc/41/64/60/570416460.db2.gz CLEXUAUMGOONAO-JOCHJYFZSA-N 1 0 391.515 4.439 50 0 GIAARO O[C@@]1(c2cccs2)CN2CCCCCC2=[N+]1c1cccc(C(F)(F)F)c1 ZINC000001744549 570419655 /nfs/dbraw/zinc/41/96/55/570419655.db2.gz PAWNFBJWJJTVRK-GOSISDBHSA-N 1 0 381.443 4.417 50 0 GIAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cccs3)nc21 ZINC000005122389 570421698 /nfs/dbraw/zinc/42/16/98/570421698.db2.gz BUWALPUUPUOPBA-UHFFFAOYSA-N 1 0 389.546 4.355 50 0 GIAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1F ZINC000005019754 570424455 /nfs/dbraw/zinc/42/44/55/570424455.db2.gz YZVBLTIXKVNEIS-UHFFFAOYSA-N 1 0 395.430 4.432 50 0 GIAARO S=c1scnn1CN1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000026635863 570427605 /nfs/dbraw/zinc/42/76/05/570427605.db2.gz QSQKJRFYUITOIA-UHFFFAOYSA-N 1 0 388.587 4.178 50 0 GIAARO COc1cccc(C[N@@H+]2C[C@@H](C(=O)NCC3CC3)CC[C@H]2c2ccccc2)c1 ZINC000247919775 570430321 /nfs/dbraw/zinc/43/03/21/570430321.db2.gz XDXWLSYWIJRLAO-GMAHTHKFSA-N 1 0 378.516 4.175 50 0 GIAARO Cn1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000244795142 570433439 /nfs/dbraw/zinc/43/34/39/570433439.db2.gz RAKZBNWMXMGCTE-QHCPKHFHSA-N 1 0 378.564 4.415 50 0 GIAARO O=C(COc1ccccc1Cl)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580659 570436146 /nfs/dbraw/zinc/43/61/46/570436146.db2.gz JLSLOIHGHBBGCH-MRXNPFEDSA-N 1 0 378.925 4.124 50 0 GIAARO Cc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)sc2cccc(F)c12 ZINC000053990495 570436742 /nfs/dbraw/zinc/43/67/42/570436742.db2.gz GKYAUFJXPUOUDF-UHFFFAOYSA-N 1 0 383.492 4.138 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000054009887 570437216 /nfs/dbraw/zinc/43/72/16/570437216.db2.gz MPKTVHVXNMDITN-UHFFFAOYSA-N 1 0 397.950 4.328 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027793084 570442521 /nfs/dbraw/zinc/44/25/21/570442521.db2.gz FHFOEMMVJZZRTP-OAQYLSRUSA-N 1 0 386.923 4.289 50 0 GIAARO O=C(NNc1cccc(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000252532973 570452016 /nfs/dbraw/zinc/45/20/16/570452016.db2.gz FPLAFVNSOBJOGV-IAGOWNOFSA-N 1 0 397.828 4.094 50 0 GIAARO O=c1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)nc2sccn21 ZINC000134174175 570469284 /nfs/dbraw/zinc/46/92/84/570469284.db2.gz RPWLNOAALSRZIR-ZBFHGGJFSA-N 1 0 393.434 4.201 50 0 GIAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3Cc4ccccc4S3)cc2)CC1 ZINC000029358629 570472556 /nfs/dbraw/zinc/47/25/56/570472556.db2.gz DQWABGPYCCFBNA-JOCHJYFZSA-N 1 0 380.557 4.252 50 0 GIAARO C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCc2ccccc21 ZINC000029487132 570474859 /nfs/dbraw/zinc/47/48/59/570474859.db2.gz NUUMKVDRGYIBPJ-INIZCTEOSA-N 1 0 380.822 4.499 50 0 GIAARO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030269053 570487915 /nfs/dbraw/zinc/48/79/15/570487915.db2.gz XHBDRCUEBHOMGZ-MRXNPFEDSA-N 1 0 381.451 4.102 50 0 GIAARO Fc1ccccc1CNCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030913923 570501053 /nfs/dbraw/zinc/50/10/53/570501053.db2.gz CYCZDVLDMKDEQC-UHFFFAOYSA-N 1 0 389.518 4.438 50 0 GIAARO Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CC[NH+](CC3CC3)CC2)n1 ZINC000096281697 570501117 /nfs/dbraw/zinc/50/11/17/570501117.db2.gz WIHDJQAULJQDJW-UHFFFAOYSA-N 1 0 381.495 4.049 50 0 GIAARO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)ccc1OCC(N)=O ZINC000033087230 570519917 /nfs/dbraw/zinc/51/99/17/570519917.db2.gz AJKQDQKBTWFMBS-QGZVFWFLSA-N 1 0 388.533 4.128 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3ccccc3OC)CC2)cc1 ZINC000008567364 570534284 /nfs/dbraw/zinc/53/42/84/570534284.db2.gz SJAGZSYCSGVBIO-UHFFFAOYSA-N 1 0 377.488 4.474 50 0 GIAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)cc1 ZINC000036102524 570539441 /nfs/dbraw/zinc/53/94/41/570539441.db2.gz KJFIXVHMSWSRQV-QFIPXVFZSA-N 1 0 395.474 4.276 50 0 GIAARO CC[NH+](CC)CCn1nc(/C=C/c2ccc(OC)cc2)nc1-c1ccccc1O ZINC000005274461 570547493 /nfs/dbraw/zinc/54/74/93/570547493.db2.gz DYSKOSYWIVECIS-NTCAYCPXSA-N 1 0 392.503 4.172 50 0 GIAARO CC(C)C(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000006723237 570551815 /nfs/dbraw/zinc/55/18/15/570551815.db2.gz YBBZIFHCKHOYRV-HXUWFJFHSA-N 1 0 397.494 4.070 50 0 GIAARO COc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907771 570564015 /nfs/dbraw/zinc/56/40/15/570564015.db2.gz DTRSKZOWYCLEGB-FQEVSTJZSA-N 1 0 392.524 4.286 50 0 GIAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022907686 570564031 /nfs/dbraw/zinc/56/40/31/570564031.db2.gz FWHGATVURKZBNL-NRFANRHFSA-N 1 0 392.524 4.286 50 0 GIAARO CCSc1nc2c3c(sc2c(SCC[NH+](C)C)n1)CC(C)(C)OC3 ZINC000006759141 570574421 /nfs/dbraw/zinc/57/44/21/570574421.db2.gz VAFKLUFQUXUEFU-UHFFFAOYSA-N 1 0 383.608 4.308 50 0 GIAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C1CCCC1 ZINC000006769590 570579493 /nfs/dbraw/zinc/57/94/93/570579493.db2.gz GQCICNXARDAFEE-RTWAWAEBSA-N 1 0 384.907 4.343 50 0 GIAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000038851288 570587743 /nfs/dbraw/zinc/58/77/43/570587743.db2.gz ZLGKOAUAHOJGKK-UHFFFAOYSA-N 1 0 395.522 4.164 50 0 GIAARO OCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000040720986 570605874 /nfs/dbraw/zinc/60/58/74/570605874.db2.gz OMVXXZZLDVUCNZ-UHFFFAOYSA-N 1 0 382.273 4.029 50 0 GIAARO OCC[NH2+]CCCNCc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040720780 570605827 /nfs/dbraw/zinc/60/58/27/570605827.db2.gz GKJRVNNKSLSXHV-UHFFFAOYSA-N 1 0 398.934 4.134 50 0 GIAARO CC(C)Oc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Br ZINC000040730902 570608508 /nfs/dbraw/zinc/60/85/08/570608508.db2.gz IIVCZTIPJWRPBB-UHFFFAOYSA-N 1 0 378.266 4.255 50 0 GIAARO CC(C)Oc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000040730176 570608529 /nfs/dbraw/zinc/60/85/29/570608529.db2.gz IBOJOOOUKGSGSO-UHFFFAOYSA-N 1 0 378.266 4.255 50 0 GIAARO C[N@H+](C1CCCCC1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809590 570611950 /nfs/dbraw/zinc/61/19/50/570611950.db2.gz BPOJYUWGCDNPMU-OALUTQOASA-N 1 0 384.973 4.194 50 0 GIAARO CC[C@H](C(=O)NCc1c(C)nn(-c2ccccc2)c1C)[N@H+](C)Cc1ccccc1 ZINC000225798160 570618226 /nfs/dbraw/zinc/61/82/26/570618226.db2.gz TXWXGSZVSHHJHC-HSZRJFAPSA-N 1 0 390.531 4.016 50 0 GIAARO CC(C)c1cnn2c1nc(NCCCCCC[NH3+])cc2NCc1ccccc1 ZINC000043207770 570626449 /nfs/dbraw/zinc/62/64/49/570626449.db2.gz DNYBIOICMDTDAP-UHFFFAOYSA-N 1 0 380.540 4.396 50 0 in-vitro GIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccccc1Cl ZINC000036343919 570626407 /nfs/dbraw/zinc/62/64/07/570626407.db2.gz VIQZCEJXWGAWCU-FQEVSTJZSA-N 1 0 399.922 4.368 50 0 GIAARO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC000036343974 570626674 /nfs/dbraw/zinc/62/66/74/570626674.db2.gz SUTXPACBAIFEBL-JOCHJYFZSA-N 1 0 397.494 4.242 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cc(C)ccc2C)C[C@@H]1c1ccccc1F ZINC000036345508 570628176 /nfs/dbraw/zinc/62/81/76/570628176.db2.gz WDEPTIMWLIQLSW-JOCHJYFZSA-N 1 0 381.495 4.462 50 0 GIAARO CC[NH+](CC)CCN(CCOC)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000072313473 570651429 /nfs/dbraw/zinc/65/14/29/570651429.db2.gz FWBOHDMPEPIYIY-UHFFFAOYSA-N 1 0 391.600 4.162 50 0 GIAARO CC1CC[NH+]([C@H](CNC(=O)c2cc3ccccc3oc2=O)c2cccs2)CC1 ZINC000033028235 570666111 /nfs/dbraw/zinc/66/61/11/570666111.db2.gz DDLPOAYEVVEITE-GOSISDBHSA-N 1 0 396.512 4.058 50 0 GIAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc2ccccc2oc1=O ZINC000033028464 570666423 /nfs/dbraw/zinc/66/64/23/570666423.db2.gz BGYTWYBHNCQTGB-IBGZPJMESA-N 1 0 396.874 4.013 50 0 GIAARO CCOc1ccc(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000006877318 570668496 /nfs/dbraw/zinc/66/84/96/570668496.db2.gz HPYCUIOLBAYWFR-UHFFFAOYSA-N 1 0 393.531 4.388 50 0 GIAARO Cc1cccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c1 ZINC000055167200 570685815 /nfs/dbraw/zinc/68/58/15/570685815.db2.gz UGAWRNACLJAHOW-QFIPXVFZSA-N 1 0 397.950 4.075 50 0 GIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3c(F)cccc3F)sc2c(C)c1 ZINC000004359405 570701506 /nfs/dbraw/zinc/70/15/06/570701506.db2.gz BNOIOQXAEDMXOI-UHFFFAOYSA-N 1 0 389.471 4.400 50 0 GIAARO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC000006939366 570713276 /nfs/dbraw/zinc/71/32/76/570713276.db2.gz UEZPBJVNXRYERI-ZEQRLZLVSA-N 1 0 379.475 4.391 50 0 GIAARO CCCCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000247972753 570718594 /nfs/dbraw/zinc/71/85/94/570718594.db2.gz DSHXVRBGTFMSBU-LJQANCHMSA-N 1 0 384.568 4.478 50 0 GIAARO CCc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3CC)C2)c1 ZINC000249691565 570722843 /nfs/dbraw/zinc/72/28/43/570722843.db2.gz LSWHENDTSIPGMS-IBGZPJMESA-N 1 0 390.531 4.469 50 0 GIAARO CC(C)OCCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000253374497 570732623 /nfs/dbraw/zinc/73/26/23/570732623.db2.gz MNLCSEMDOCHRLI-UHFFFAOYSA-N 1 0 382.483 4.037 50 0 GIAARO O=C(C[C@@H](c1ccsc1)n1cccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000524732544 570769778 /nfs/dbraw/zinc/76/97/78/570769778.db2.gz OPLYUJGHZZDSFJ-QFIPXVFZSA-N 1 0 393.556 4.310 50 0 GIAARO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068941 570772238 /nfs/dbraw/zinc/77/22/38/570772238.db2.gz NSRLCFCUMGENMP-UHFFFAOYSA-N 1 0 381.545 4.355 50 0 GIAARO CC(C)[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000004461246 570793553 /nfs/dbraw/zinc/79/35/53/570793553.db2.gz XRYASJUYPLKJGD-OAQYLSRUSA-N 1 0 390.499 4.449 50 0 GIAARO COc1ccc2cc([C@@H](C)C(=O)NCC[N@@H+]3CCc4ccccc4C3)ccc2c1 ZINC000032787381 570810033 /nfs/dbraw/zinc/81/00/33/570810033.db2.gz FYMVHMAEFYJWIE-GOSISDBHSA-N 1 0 388.511 4.126 50 0 GIAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1O2 ZINC000032814633 570835065 /nfs/dbraw/zinc/83/50/65/570835065.db2.gz QJOHLXXHDPTGEM-GOSISDBHSA-N 1 0 387.430 4.075 50 0 GIAARO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2cc(F)cc3cccnc32)C2CC2)cc1 ZINC000032825281 570839276 /nfs/dbraw/zinc/83/92/76/570839276.db2.gz CIUVFIHVRCQKDL-UHFFFAOYSA-N 1 0 389.474 4.431 50 0 GIAARO CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000032819926 570841542 /nfs/dbraw/zinc/84/15/42/570841542.db2.gz ALTQQSCJUVRNPV-FQEVSTJZSA-N 1 0 395.503 4.038 50 0 GIAARO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000170592185 570851346 /nfs/dbraw/zinc/85/13/46/570851346.db2.gz KECGRWVONSSFRZ-QHCPKHFHSA-N 1 0 394.559 4.194 50 0 GIAARO CCOc1ccc(OC(C)(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000032843962 570852426 /nfs/dbraw/zinc/85/24/26/570852426.db2.gz OMKIIDBOZMNHKT-UHFFFAOYSA-N 1 0 396.531 4.024 50 0 GIAARO O=C(Cc1ccc(Br)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003314995 570855385 /nfs/dbraw/zinc/85/53/85/570855385.db2.gz RXUIHVLMZMYBND-UHFFFAOYSA-N 1 0 393.369 4.297 50 0 GIAARO O=C(CCC(=O)c1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000003376786 570863834 /nfs/dbraw/zinc/86/38/34/570863834.db2.gz SEKFTVAGHKUHIH-UHFFFAOYSA-N 1 0 390.936 4.145 50 0 GIAARO Cc1nc(CN2CCC[N@H+](CCCc3c(F)cccc3Cl)CC2)cs1 ZINC000170607013 570863982 /nfs/dbraw/zinc/86/39/82/570863982.db2.gz UVNZDDVDIHXIQP-UHFFFAOYSA-N 1 0 381.948 4.385 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc1 ZINC000015062055 570874507 /nfs/dbraw/zinc/87/45/07/570874507.db2.gz HBPQWJHSEOFBQT-IBGZPJMESA-N 1 0 383.513 4.290 50 0 GIAARO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000097032743 570887211 /nfs/dbraw/zinc/88/72/11/570887211.db2.gz FVGIKUGUZIUWKZ-JOCHJYFZSA-N 1 0 377.488 4.288 50 0 GIAARO COc1ccc(C[NH2+][C@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)cc1 ZINC000299763928 570892985 /nfs/dbraw/zinc/89/29/85/570892985.db2.gz HOFSIGAPBIZQBW-IBGZPJMESA-N 1 0 394.494 4.235 50 0 GIAARO CC[C@@H](NC(=O)c1cccc(-c2ccc(C[NH+](C)C)cn2)c1)c1nccs1 ZINC000299791517 570896573 /nfs/dbraw/zinc/89/65/73/570896573.db2.gz GJFSGUUQFAWSLC-GOSISDBHSA-N 1 0 380.517 4.148 50 0 GIAARO CC(C)C[C@H](CNc1cc(C(F)(F)F)nc2ccccc21)[NH+]1CCOCC1 ZINC000089821015 570915752 /nfs/dbraw/zinc/91/57/52/570915752.db2.gz NXCLVKVGIIEUPO-OAHLLOKOSA-N 1 0 381.442 4.412 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccn2)[NH+]2CCC(C)CC2)cc1 ZINC000534670131 570920434 /nfs/dbraw/zinc/92/04/34/570920434.db2.gz YQGZPLSOTZRVET-JOCHJYFZSA-N 1 0 380.536 4.005 50 0 GIAARO CCc1noc(-c2ccc(CC[NH2+]Cc3c(Cl)n(C)nc3C(C)C)cc2)n1 ZINC000105491497 570926753 /nfs/dbraw/zinc/92/67/53/570926753.db2.gz KMLUCUDVRUFYJD-UHFFFAOYSA-N 1 0 387.915 4.142 50 0 GIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(C(C)C)cc2)CC1 ZINC000170637864 570938071 /nfs/dbraw/zinc/93/80/71/570938071.db2.gz ISPFAAWVFWWQIO-UHFFFAOYSA-N 1 0 380.532 4.278 50 0 GIAARO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1OCC ZINC000106135290 570948770 /nfs/dbraw/zinc/94/87/70/570948770.db2.gz OYVAROHDNMCWHT-YLJYHZDGSA-N 1 0 382.504 4.049 50 0 GIAARO COc1ccc([C@H]2[NH2+]CC[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000001293559 570956207 /nfs/dbraw/zinc/95/62/07/570956207.db2.gz ADRGNPCYQFCFPB-NOZRDPDXSA-N 1 0 384.479 4.214 50 0 GIAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1Cn1nc(C)cc1C ZINC000001322111 570958183 /nfs/dbraw/zinc/95/81/83/570958183.db2.gz CCLWNSKZOFMNLD-QHCPKHFHSA-N 1 0 386.499 4.273 50 0 GIAARO Cc1ccc(NC(=O)c2ccc(CSc3nc(N)cc(N)[nH+]3)cc2)cc1Cl ZINC000004748579 570963397 /nfs/dbraw/zinc/96/33/97/570963397.db2.gz OKIYYCPLOYQVBD-UHFFFAOYSA-N 1 0 399.907 4.147 50 0 GIAARO Cc1ccccc1-n1ncc(NC(=O)NC2CC[NH+](CC3CC3)CC2)c1C(C)C ZINC000252500941 570977409 /nfs/dbraw/zinc/97/74/09/570977409.db2.gz TZYOZIOTVGPXNW-UHFFFAOYSA-N 1 0 395.551 4.300 50 0 GIAARO CC(C)c1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000023211924 570979795 /nfs/dbraw/zinc/97/97/95/570979795.db2.gz NPFBCXJJYWMODU-OAQYLSRUSA-N 1 0 388.939 4.025 50 0 GIAARO Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCC[NH+]2CCCC2)c(C)c1 ZINC000004782510 570986868 /nfs/dbraw/zinc/98/68/68/570986868.db2.gz GUVDYFFEACCJQI-UHFFFAOYSA-N 1 0 394.544 4.043 50 0 GIAARO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000045234083 570989475 /nfs/dbraw/zinc/98/94/75/570989475.db2.gz MJAHOLZGTXVRAP-SFHVURJKSA-N 1 0 379.545 4.174 50 0 GIAARO Brc1ccc(-c2ccc(C[NH+]3CCC4(CC3)OCCO4)o2)cc1 ZINC000045749084 570995779 /nfs/dbraw/zinc/99/57/79/570995779.db2.gz HHZOKVUKTSNJDG-UHFFFAOYSA-N 1 0 378.266 4.048 50 0 GIAARO COCC[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000040739901 570998804 /nfs/dbraw/zinc/99/88/04/570998804.db2.gz VKNIFTZRTAWWFA-UHFFFAOYSA-N 1 0 384.701 4.418 50 0 GIAARO CC(C)c1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1 ZINC000091305338 571002949 /nfs/dbraw/zinc/00/29/49/571002949.db2.gz KYUGNSQAPHSHKB-JOCHJYFZSA-N 1 0 384.564 4.194 50 0 GIAARO O=C1[C@H](c2ccccc2)CC2(CC[NH+](Cc3cccc(O)c3)CC2)CN1C1CC1 ZINC000091391336 571006169 /nfs/dbraw/zinc/00/61/69/571006169.db2.gz NWNAXKDGSFVZJN-QHCPKHFHSA-N 1 0 390.527 4.153 50 0 GIAARO Cc1[nH]c2c(c1CC(=O)N1CCCN(c3cc[nH+]c(C)c3)CC1)c(C)ccc2C ZINC000091451908 571008771 /nfs/dbraw/zinc/00/87/71/571008771.db2.gz HHJCNTOLXVLPTL-UHFFFAOYSA-N 1 0 390.531 4.078 50 0 GIAARO COc1ccc(CC[N@H+](C)Cc2ccc(F)c(Br)c2)cc1OC ZINC000019606693 571020843 /nfs/dbraw/zinc/02/08/43/571020843.db2.gz LQLHGRJYUURXQK-UHFFFAOYSA-N 1 0 382.273 4.280 50 0 GIAARO O=C1CCC2(CC[NH+](Cc3cccc(Cl)c3)CC2)CN1CCc1ccncc1 ZINC000091645468 571021963 /nfs/dbraw/zinc/02/19/63/571021963.db2.gz ZOUYJFWWJMORHN-UHFFFAOYSA-N 1 0 397.950 4.182 50 0 GIAARO CCN1CC2(CC[NH+](Cc3ccccc3F)CC2)C[C@H](c2ccccc2)C1=O ZINC000091645664 571022119 /nfs/dbraw/zinc/02/21/19/571022119.db2.gz ZMVRIHOWMFMECO-OAQYLSRUSA-N 1 0 380.507 4.444 50 0 GIAARO COc1ccc(N(C(C)=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000037560740 571031582 /nfs/dbraw/zinc/03/15/82/571031582.db2.gz CPLBYSMXCCSMST-UHFFFAOYSA-N 1 0 382.504 4.030 50 0 GIAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CC[NH+](Cc1cccs1)CC2 ZINC000092045830 571042291 /nfs/dbraw/zinc/04/22/91/571042291.db2.gz VURHHQDTVLDUFP-UHFFFAOYSA-N 1 0 376.472 4.041 50 0 GIAARO Cc1nc(C(C)C)sc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095356096 571052449 /nfs/dbraw/zinc/05/24/49/571052449.db2.gz BEAXXPRHYFWJFW-RTBURBONSA-N 1 0 383.561 4.312 50 0 GIAARO CC(C)n1cccc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000095389558 571071984 /nfs/dbraw/zinc/07/19/84/571071984.db2.gz IVGOFMBFLOEWRP-NRFANRHFSA-N 1 0 379.548 4.411 50 0 GIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cnco2)C2CCCC2)CC1 ZINC000095509576 571080667 /nfs/dbraw/zinc/08/06/67/571080667.db2.gz DGSNKTJCNLBTGG-UHFFFAOYSA-N 1 0 395.547 4.323 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056503429 823159673 /nfs/dbraw/zinc/15/96/73/823159673.db2.gz GMAKFSQYJGTEGE-FQEVSTJZSA-N 1 0 399.922 4.127 50 0 GIAARO Cc1ccc([C@@H](CC(=O)NCCC[NH+](C)C)c2ccc(OC(C)C)cc2)cc1 ZINC000002389183 817386526 /nfs/dbraw/zinc/38/65/26/817386526.db2.gz BWWXTWGITFHORH-HSZRJFAPSA-N 1 0 382.548 4.372 50 0 GIAARO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000002453017 817389967 /nfs/dbraw/zinc/38/99/67/817389967.db2.gz YIRJRNZTTRSXPB-UHFFFAOYSA-N 1 0 391.899 4.201 50 0 GIAARO Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@H](C)C[NH+](C(C)C)C(C)C ZINC000002781210 817399880 /nfs/dbraw/zinc/39/98/80/817399880.db2.gz FINJLLXDHQGILN-YPMHNXCESA-N 1 0 396.885 4.048 50 0 GIAARO CC(C)[NH+]1CCC(N(Cc2ccco2)C(=S)Nc2ccccc2F)CC1 ZINC000002912840 817405570 /nfs/dbraw/zinc/40/55/70/817405570.db2.gz PVQZYNDVBYBUFM-UHFFFAOYSA-N 1 0 375.513 4.491 50 0 GIAARO C[C@H](NC(=O)c1ccccc1Br)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211562 817421784 /nfs/dbraw/zinc/42/17/84/817421784.db2.gz ASTNGCCWOFJSOJ-GUYCJALGSA-N 1 0 393.350 4.466 50 0 GIAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1ccccc1OC ZINC000003665527 817494183 /nfs/dbraw/zinc/49/41/83/817494183.db2.gz YWPMIJXRSDYJFG-UHFFFAOYSA-N 1 0 375.538 4.219 50 0 GIAARO CCCC[N@H+](CC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1 ZINC000003959239 817495607 /nfs/dbraw/zinc/49/56/07/817495607.db2.gz ANBKKASGIKXMKZ-UHFFFAOYSA-N 1 0 383.492 4.232 50 0 GIAARO O=C(CCc1ccco1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057332358 823279569 /nfs/dbraw/zinc/27/95/69/823279569.db2.gz GPXDCFUOVJLDHV-UHFFFAOYSA-N 1 0 389.499 4.173 50 0 GIAARO COc1cccc(NC(=O)CCC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000011661170 818106825 /nfs/dbraw/zinc/10/68/25/818106825.db2.gz WIKJYICAWOUJHU-UHFFFAOYSA-N 1 0 392.503 4.202 50 0 GIAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000012091047 818141154 /nfs/dbraw/zinc/14/11/54/818141154.db2.gz ZSGVVVNMLSHEGW-QFIPXVFZSA-N 1 0 388.433 4.119 50 0 GIAARO CC(C)(C)C[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000012098799 818141941 /nfs/dbraw/zinc/14/19/41/818141941.db2.gz RHYBKJQNNKABSP-QGZVFWFLSA-N 1 0 382.470 4.470 50 0 GIAARO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000012202673 818146710 /nfs/dbraw/zinc/14/67/10/818146710.db2.gz LKPJEYWEEFRIIM-QHCPKHFHSA-N 1 0 382.454 4.330 50 0 GIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2cccnc2)c(OC)c1 ZINC000012299805 818152964 /nfs/dbraw/zinc/15/29/64/818152964.db2.gz KDWVGWIYDWJKDQ-FQEVSTJZSA-N 1 0 378.476 4.216 50 0 GIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H]2CCOC2)C2CCCC2)CC1 ZINC000012455160 818160843 /nfs/dbraw/zinc/16/08/43/818160843.db2.gz VKZLOQAAUSVVTG-HSZRJFAPSA-N 1 0 398.591 4.057 50 0 GIAARO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012716265 818177632 /nfs/dbraw/zinc/17/76/32/818177632.db2.gz OHJLPIPLVVOWAB-HSZRJFAPSA-N 1 0 395.934 4.343 50 0 GIAARO CCOC(=O)N1CCC([N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)CC1 ZINC000014882898 818273970 /nfs/dbraw/zinc/27/39/70/818273970.db2.gz MCXWPUQFLYUMBB-JOCHJYFZSA-N 1 0 380.488 4.243 50 0 GIAARO O=C(Nc1ccc2c(c1)C[N@@H+](CCCn1cccn1)CC2)c1ccccc1Cl ZINC000014963674 818280026 /nfs/dbraw/zinc/28/00/26/818280026.db2.gz KPSVVJGHIBPUEV-UHFFFAOYSA-N 1 0 394.906 4.237 50 0 GIAARO O=C(C1CCOCC1)N1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014988977 818280788 /nfs/dbraw/zinc/28/07/88/818280788.db2.gz IORGOEZPGUIWFZ-CTNGQTDRSA-N 1 0 398.572 4.141 50 0 GIAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)CC1 ZINC000019740922 818604105 /nfs/dbraw/zinc/60/41/05/818604105.db2.gz UKEAKKWVVWWOMX-FQEVSTJZSA-N 1 0 392.522 4.094 50 0 GIAARO COc1ccccc1N1C[C@@H]2C[C@@H](c3cccc(SC)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000019957736 818608489 /nfs/dbraw/zinc/60/84/89/818608489.db2.gz GPAPKSMFQYUVLU-NYDSKATKSA-N 1 0 394.540 4.360 50 0 GIAARO O[C@H](CSc1ccccc1Cl)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020385240 818619899 /nfs/dbraw/zinc/61/98/99/818619899.db2.gz YZLZJOIWXDURDK-KRWDZBQOSA-N 1 0 397.371 4.269 50 0 GIAARO C[NH+]1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=S)N2C(=O)c1ccccc1 ZINC000020436075 818621363 /nfs/dbraw/zinc/62/13/63/818621363.db2.gz DSOXPYNXYBQPBQ-UHFFFAOYSA-N 1 0 397.931 4.034 50 0 GIAARO COc1cccc(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)c1 ZINC000020889805 818636053 /nfs/dbraw/zinc/63/60/53/818636053.db2.gz DHBQUMRLAWCJJE-UHFFFAOYSA-N 1 0 381.520 4.346 50 0 GIAARO Cc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1F ZINC000020927318 818640866 /nfs/dbraw/zinc/64/08/66/818640866.db2.gz OHXCZGYOEKSUNN-UHFFFAOYSA-N 1 0 398.507 4.296 50 0 GIAARO Cc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020927200 818641036 /nfs/dbraw/zinc/64/10/36/818641036.db2.gz TUAYORDQSLZHKR-UHFFFAOYSA-N 1 0 380.517 4.157 50 0 GIAARO COc1ccc(-c2noc(NCC[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000021630455 818716589 /nfs/dbraw/zinc/71/65/89/818716589.db2.gz UZOMGNIIYYWVPL-UHFFFAOYSA-N 1 0 392.503 4.112 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)cc2Br)[NH+](C)C)cc1 ZINC000058055162 823357769 /nfs/dbraw/zinc/35/77/69/823357769.db2.gz ZQIYTIGXHDILIX-GOSISDBHSA-N 1 0 390.325 4.490 50 0 GIAARO Fc1cc(F)cc(-c2noc3ncnc(N4CCC([NH+]5CCCCC5)CC4)c23)c1 ZINC000021714840 818729386 /nfs/dbraw/zinc/72/93/86/818729386.db2.gz XKESJTHCHTULQK-UHFFFAOYSA-N 1 0 399.445 4.018 50 0 GIAARO CCn1c2ccccc2nc1CN[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000022918658 818876212 /nfs/dbraw/zinc/87/62/12/818876212.db2.gz PPCDJWWLCNJYIY-NRFANRHFSA-N 1 0 376.548 4.243 50 0 GIAARO O=c1cc(C(F)F)nc(-c2ccc(C[N@H+](Cc3ccncc3)C3CC3)cc2)[nH]1 ZINC000023338457 818924212 /nfs/dbraw/zinc/92/42/12/818924212.db2.gz DXAYDUJUJSEORY-UHFFFAOYSA-N 1 0 382.414 4.346 50 0 GIAARO Fc1cccc2ccc(CN3CCC[C@@H]([N@@H+]4CCc5ccccc5C4)C3)nc12 ZINC000023374016 818929109 /nfs/dbraw/zinc/92/91/09/818929109.db2.gz NRJKANQPUVAGHU-JOCHJYFZSA-N 1 0 375.491 4.397 50 0 GIAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(-c2nc(-c3ccoc3)cc(=O)[nH]2)c1 ZINC000023399375 818933786 /nfs/dbraw/zinc/93/37/86/818933786.db2.gz MZSBZLPYTNTCRO-INIZCTEOSA-N 1 0 386.455 4.285 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)CCc1c(C)noc1C)c1ccccc1Cl ZINC000032316632 820914124 /nfs/dbraw/zinc/91/41/24/820914124.db2.gz PAOKWGRXWBWGBR-LJQANCHMSA-N 1 0 377.916 4.077 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)c1ccsc1 ZINC000040103835 821136955 /nfs/dbraw/zinc/13/69/55/821136955.db2.gz RYMYSDDLZZAADV-QGZVFWFLSA-N 1 0 389.521 4.114 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2F)o1)c1cccs1 ZINC000040108621 821139343 /nfs/dbraw/zinc/13/93/43/821139343.db2.gz MZVUQJYMDNLGJH-INIZCTEOSA-N 1 0 388.464 4.092 50 0 GIAARO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)[nH]c2c1C(=O)CCC2 ZINC000040112368 821140348 /nfs/dbraw/zinc/14/03/48/821140348.db2.gz RBPHLVXRYAQJSI-INIZCTEOSA-N 1 0 393.531 4.147 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)COc2ccccc2-c2ccccc2)C1 ZINC000040121340 821142525 /nfs/dbraw/zinc/14/25/25/821142525.db2.gz OKZMUTKVRBNEQE-BGYRXZFFSA-N 1 0 380.532 4.217 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1O ZINC000042460123 821307422 /nfs/dbraw/zinc/30/74/22/821307422.db2.gz DEQNEUJSKBRLCZ-HNNXBMFYSA-N 1 0 399.441 4.449 50 0 GIAARO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000180749466 821433243 /nfs/dbraw/zinc/43/32/43/821433243.db2.gz BELMEMMDBDPKII-UHFFFAOYSA-N 1 0 382.533 4.141 50 0 GIAARO Cc1cnc(C2CCOCC2)n1[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546607 823975413 /nfs/dbraw/zinc/97/54/13/823975413.db2.gz RLHCBKZHVATRDG-HXUWFJFHSA-N 1 0 378.520 4.404 50 0 GIAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000426374174 231210053 /nfs/dbraw/zinc/21/00/53/231210053.db2.gz KGQIZYATHOVGTR-UHFFFAOYSA-N 1 0 386.565 4.036 50 0 GIAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1cccc(-c2ccccc2CO)c1 ZINC000426518903 529887104 /nfs/dbraw/zinc/88/71/04/529887104.db2.gz CWWDUXKYNIVBFX-UHFFFAOYSA-N 1 0 380.532 4.184 50 0 GIAARO Fc1ccc(C[NH2+]Cc2cc3ccc(Cl)cc3nc2N2CCOCC2)cc1 ZINC000299772032 222787484 /nfs/dbraw/zinc/78/74/84/222787484.db2.gz YANMIJBTCJSHBR-UHFFFAOYSA-N 1 0 385.870 4.154 50 0 GIAARO CCCC[N@H+](CC)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC000001778604 212255711 /nfs/dbraw/zinc/25/57/11/212255711.db2.gz QLOVZEHMDFBBJS-CQSZACIVSA-N 1 0 380.554 4.110 50 0 GIAARO C[NH+](C)CCCN(C(=O)c1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000010068773 212236586 /nfs/dbraw/zinc/23/65/86/212236586.db2.gz KCHTVRFGMIROCQ-UHFFFAOYSA-N 1 0 375.444 4.173 50 0 GIAARO COc1cc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)cc(OC)c1OC ZINC000000819168 212185061 /nfs/dbraw/zinc/18/50/61/212185061.db2.gz CRTPHNUPJLFJKO-UHFFFAOYSA-N 1 0 381.476 4.342 50 0 GIAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(OC)c(OC)c1 ZINC000000809685 212183952 /nfs/dbraw/zinc/18/39/52/212183952.db2.gz GOMWPUGRZWXOAW-UHFFFAOYSA-N 1 0 382.508 4.007 50 0 GIAARO Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21NCCc2c3ccccc3[nH]c21 ZINC000019890839 212149608 /nfs/dbraw/zinc/14/96/08/212149608.db2.gz OKOIDMXEIXEHAI-VWLOTQADSA-N 1 0 383.495 4.408 50 0 GIAARO Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21NCCc2c3ccccc3[nH]c21 ZINC000019890837 212149626 /nfs/dbraw/zinc/14/96/26/212149626.db2.gz OKOIDMXEIXEHAI-RUZDIDTESA-N 1 0 383.495 4.408 50 0 GIAARO COc1ccc(C[C@@H](C(=O)O[C@@H]2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000239306179 212133349 /nfs/dbraw/zinc/13/33/49/212133349.db2.gz GNHPJGJHBNDLTI-AAUAJYIVSA-N 1 0 381.516 4.436 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)CCC[NH+]1CCC(C)CC1)CCCC2 ZINC000000948778 220469249 /nfs/dbraw/zinc/46/92/49/220469249.db2.gz LBLACIGYMGJPLW-UHFFFAOYSA-N 1 0 392.565 4.254 50 0 GIAARO CCCCc1nc2sc3c(ncnc3NCCC[NH+](C)C)c2c2c1CCC2 ZINC000002368319 220528149 /nfs/dbraw/zinc/52/81/49/220528149.db2.gz CWSGEWHKGNICGD-UHFFFAOYSA-N 1 0 383.565 4.434 50 0 GIAARO C[NH+](C)CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000003035116 220598011 /nfs/dbraw/zinc/59/80/11/220598011.db2.gz GEHIBPQLWSXJKB-UHFFFAOYSA-N 1 0 383.492 4.207 50 0 GIAARO C[NH+](C)CCCN(C(=O)CCc1ccccc1)c1nc2c(cccc2F)s1 ZINC000004359776 220711647 /nfs/dbraw/zinc/71/16/47/220711647.db2.gz HZFJXVOOEMCRRV-UHFFFAOYSA-N 1 0 385.508 4.353 50 0 GIAARO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 ZINC000005643928 220890441 /nfs/dbraw/zinc/89/04/41/220890441.db2.gz UIXHXGZPLMRPGX-UHFFFAOYSA-N 1 0 381.501 4.401 50 0 GIAARO Cc1cc(C)n(CCC[NH2+][C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000006602381 220944385 /nfs/dbraw/zinc/94/43/85/220944385.db2.gz GXUUXKHQWMVBPY-HSZRJFAPSA-N 1 0 390.531 4.476 50 0 GIAARO O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000007686542 221005408 /nfs/dbraw/zinc/00/54/08/221005408.db2.gz OEHROYVOCBBVSB-SFHVURJKSA-N 1 0 393.314 4.326 50 0 GIAARO COc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c(C)c2c1 ZINC000007686877 221005593 /nfs/dbraw/zinc/00/55/93/221005593.db2.gz NPIBMGJNTGBDOB-QGZVFWFLSA-N 1 0 384.501 4.378 50 0 GIAARO CC(C)Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000007875344 221014435 /nfs/dbraw/zinc/01/44/35/221014435.db2.gz HYEJCFTXTZWQEJ-VGSWGCGISA-N 1 0 395.547 4.298 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cccc(O)c3)=NN12 ZINC000007596782 221002434 /nfs/dbraw/zinc/00/24/34/221002434.db2.gz YNPDOKYMNNBUGZ-HXUWFJFHSA-N 1 0 397.906 4.401 50 0 GIAARO Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000007996249 221022697 /nfs/dbraw/zinc/02/26/97/221022697.db2.gz QJEWVITUTAJQMG-UHFFFAOYSA-N 1 0 392.528 4.123 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000008126342 221027494 /nfs/dbraw/zinc/02/74/94/221027494.db2.gz XNMRFLJYUBXLMS-QFIPXVFZSA-N 1 0 388.515 4.437 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008326331 221036639 /nfs/dbraw/zinc/03/66/39/221036639.db2.gz QFFWVALKZGDQNY-HNNXBMFYSA-N 1 0 384.303 4.442 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008326293 221036951 /nfs/dbraw/zinc/03/69/51/221036951.db2.gz FIMHXXSESYNGJU-HNNXBMFYSA-N 1 0 384.303 4.442 50 0 GIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(COc2ccccc2)cc1 ZINC000007987620 221020628 /nfs/dbraw/zinc/02/06/28/221020628.db2.gz MNCGGZVOJAUFNR-HSZRJFAPSA-N 1 0 386.495 4.270 50 0 GIAARO CC[NH+](CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(C)cc2)cc1 ZINC000008783574 221059573 /nfs/dbraw/zinc/05/95/73/221059573.db2.gz NACXEVGMXYBCGU-UHFFFAOYSA-N 1 0 382.504 4.179 50 0 GIAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000008917442 221063823 /nfs/dbraw/zinc/06/38/23/221063823.db2.gz NMZXEHIVIIYOCD-QFIPXVFZSA-N 1 0 382.504 4.051 50 0 GIAARO c1nn(-c2ccccc2)c2ncnc(NCc3ccccc3C[NH+]3CCCC3)c12 ZINC000009513538 221082723 /nfs/dbraw/zinc/08/27/23/221082723.db2.gz MPYNMMGHXPMFMC-UHFFFAOYSA-N 1 0 384.487 4.023 50 0 GIAARO COC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000010334107 221101897 /nfs/dbraw/zinc/10/18/97/221101897.db2.gz BXJKBODLHANIKS-UHFFFAOYSA-N 1 0 386.879 4.365 50 0 GIAARO CC1(C)CC(NC(=O)COc2ccc(Nc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000010558209 221105253 /nfs/dbraw/zinc/10/52/53/221105253.db2.gz WZVUKSAMQKOHQP-UHFFFAOYSA-N 1 0 381.520 4.234 50 0 GIAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(F)c2)C1 ZINC000009963680 221094877 /nfs/dbraw/zinc/09/48/77/221094877.db2.gz YRTUFFAMVOKNIV-UHFFFAOYSA-N 1 0 398.507 4.378 50 0 GIAARO COCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)s1 ZINC000011763362 221124331 /nfs/dbraw/zinc/12/43/31/221124331.db2.gz KRJVBYNTHOYFAN-HSZRJFAPSA-N 1 0 398.572 4.331 50 0 GIAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2ccc(COC)o2)C1 ZINC000011773252 221125233 /nfs/dbraw/zinc/12/52/33/221125233.db2.gz UQKCHGLNIVRFFU-HSZRJFAPSA-N 1 0 385.504 4.122 50 0 GIAARO CCCn1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814398 221126209 /nfs/dbraw/zinc/12/62/09/221126209.db2.gz HVSJRRAYVHUFMI-QFIPXVFZSA-N 1 0 382.596 4.296 50 0 GIAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000011818547 221128179 /nfs/dbraw/zinc/12/81/79/221128179.db2.gz YREGRQUIFHTJTM-HSZRJFAPSA-N 1 0 382.504 4.004 50 0 GIAARO Cc1c(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)cnn1C ZINC000011843097 221131727 /nfs/dbraw/zinc/13/17/27/221131727.db2.gz RMCFNSBQXPQFHU-OAQYLSRUSA-N 1 0 377.536 4.379 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)c(C)c1C ZINC000011662239 221118718 /nfs/dbraw/zinc/11/87/18/221118718.db2.gz CVWWTOKUWBPMCK-HXUWFJFHSA-N 1 0 397.515 4.424 50 0 GIAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)cn1 ZINC000011753423 221122688 /nfs/dbraw/zinc/12/26/88/221122688.db2.gz WKVUBLIDOXXDPO-HXUWFJFHSA-N 1 0 392.478 4.077 50 0 GIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)COc1ccccc1 ZINC000011934789 221138541 /nfs/dbraw/zinc/13/85/41/221138541.db2.gz LHIGYUMHHTWQME-OAQYLSRUSA-N 1 0 398.522 4.008 50 0 GIAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc(Cl)c3)CC2)O1)c1ccccc1 ZINC000012036547 221144650 /nfs/dbraw/zinc/14/46/50/221144650.db2.gz SWGXITVDRBKALU-NRFANRHFSA-N 1 0 398.934 4.284 50 0 GIAARO CC(=O)c1ccccc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012052203 221145510 /nfs/dbraw/zinc/14/55/10/221145510.db2.gz QQDINRFWMVVPEV-NRFANRHFSA-N 1 0 392.543 4.224 50 0 GIAARO CCN(Cc1ccc(COC)o1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012051151 221145575 /nfs/dbraw/zinc/14/55/75/221145575.db2.gz FUOCHNWQEZUGBJ-FQEVSTJZSA-N 1 0 388.527 4.342 50 0 GIAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccc(C)c4)C3)C2=O)c1 ZINC000012054482 221145825 /nfs/dbraw/zinc/14/58/25/221145825.db2.gz GDEFETOAPWCTNK-XMMPIXPASA-N 1 0 378.516 4.018 50 0 GIAARO O=C(N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1)C1(C(F)(F)F)CC1 ZINC000012072511 221146747 /nfs/dbraw/zinc/14/67/47/221146747.db2.gz UXVWMPKRAJLEDH-LJQANCHMSA-N 1 0 394.481 4.132 50 0 GIAARO Cc1ccc2[nH]c(-c3ccccc3)c(C[N@@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000012082282 221147826 /nfs/dbraw/zinc/14/78/26/221147826.db2.gz ZCIVGBZXRIACKS-UHFFFAOYSA-N 1 0 375.516 4.442 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)c(OC)c1 ZINC000012298182 221176222 /nfs/dbraw/zinc/17/62/22/221176222.db2.gz ARAHUQQQCBMNQY-MRXNPFEDSA-N 1 0 378.472 4.280 50 0 GIAARO CC(=O)c1cc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cs1 ZINC000012196107 221167139 /nfs/dbraw/zinc/16/71/39/221167139.db2.gz FMDYADFVLBYALD-HXUWFJFHSA-N 1 0 384.545 4.120 50 0 GIAARO CCc1ccc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC2CC2)cc1 ZINC000012206557 221167886 /nfs/dbraw/zinc/16/78/86/221167886.db2.gz KCNZKRGUSMBVIR-YADHBBJMSA-N 1 0 398.547 4.402 50 0 GIAARO C[C@@H](C[NH2+]C1CCN(c2cccc(NC(=O)C3CC3)c2)CC1)c1ccccc1 ZINC000012213028 221168441 /nfs/dbraw/zinc/16/84/41/221168441.db2.gz YJJCRJHTFVHGQJ-SFHVURJKSA-N 1 0 377.532 4.397 50 0 GIAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+]([C@H](C)Cc2cccnc2)CC1 ZINC000012432048 221192975 /nfs/dbraw/zinc/19/29/75/221192975.db2.gz GENRSMSSNSIBHS-GOSISDBHSA-N 1 0 384.495 4.040 50 0 GIAARO Cn1cc(C[N@@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012432926 221194136 /nfs/dbraw/zinc/19/41/36/221194136.db2.gz WRHGPMOZOKMKEY-WZONZLPQSA-N 1 0 381.520 4.259 50 0 GIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000012440964 221194737 /nfs/dbraw/zinc/19/47/37/221194737.db2.gz HOCRINVXSVJPOX-HSZRJFAPSA-N 1 0 395.934 4.343 50 0 GIAARO CO[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012467505 221198846 /nfs/dbraw/zinc/19/88/46/221198846.db2.gz CIQSNWYSWOLVKR-QFIPXVFZSA-N 1 0 377.488 4.490 50 0 GIAARO COc1ccc(-n2cc(C[NH2+]CC(C)(C)CO)c(-c3ccccc3Cl)n2)cc1 ZINC000012465741 221198943 /nfs/dbraw/zinc/19/89/43/221198943.db2.gz YLYCMLZREGASGP-UHFFFAOYSA-N 1 0 399.922 4.309 50 0 GIAARO CC(C)n1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)cn1 ZINC000012575128 221208100 /nfs/dbraw/zinc/20/81/00/221208100.db2.gz FDOGGTDHOSXSEU-QHCPKHFHSA-N 1 0 386.584 4.363 50 0 GIAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1C ZINC000012584636 221210506 /nfs/dbraw/zinc/21/05/06/221210506.db2.gz KPCYRDLYHYWCRJ-LJQANCHMSA-N 1 0 383.536 4.322 50 0 GIAARO CCOC(=O)N1CCC([NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)CC1 ZINC000012387362 221187481 /nfs/dbraw/zinc/18/74/81/221187481.db2.gz NOTFXMDXNMXPST-HXUWFJFHSA-N 1 0 396.535 4.096 50 0 GIAARO CCOc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)ccc1OC ZINC000012385558 221187673 /nfs/dbraw/zinc/18/76/73/221187673.db2.gz VCLODFQXSQDADF-XMMPIXPASA-N 1 0 383.532 4.220 50 0 GIAARO COc1ccccc1C[C@@H](C)[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012387038 221188005 /nfs/dbraw/zinc/18/80/05/221188005.db2.gz KEOQTBXFIRQDGF-HXUWFJFHSA-N 1 0 383.532 4.170 50 0 GIAARO O=C(CCC1CC[NH+](C[C@H]2CC=CCC2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012597598 221212453 /nfs/dbraw/zinc/21/24/53/221212453.db2.gz SGUYXVVSTYXLRH-IBGZPJMESA-N 1 0 384.520 4.245 50 0 GIAARO CC1(C)CC([NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000012747910 221223654 /nfs/dbraw/zinc/22/36/54/221223654.db2.gz FOFYHAIHKZIDMO-HXUWFJFHSA-N 1 0 378.601 4.379 50 0 GIAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2nc(Cc3ccccc3)no2)c1 ZINC000012716807 221221869 /nfs/dbraw/zinc/22/18/69/221221869.db2.gz SWJHJZAWDXNYBY-FQEVSTJZSA-N 1 0 377.488 4.353 50 0 GIAARO Cc1ncsc1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000012590481 221211751 /nfs/dbraw/zinc/21/17/51/221211751.db2.gz ZDWWQYADUVMUEA-QHCPKHFHSA-N 1 0 397.588 4.207 50 0 GIAARO CC1(C)CC([NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000012747906 221224235 /nfs/dbraw/zinc/22/42/35/221224235.db2.gz FOFYHAIHKZIDMO-FQEVSTJZSA-N 1 0 378.601 4.379 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)cc1F)c1cccc(OC)c1 ZINC000012749499 221224707 /nfs/dbraw/zinc/22/47/07/221224707.db2.gz KSTPGNVXQRSCEH-IBGZPJMESA-N 1 0 378.875 4.301 50 0 GIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)C1(c2ccccc2)CC1 ZINC000012759099 221226990 /nfs/dbraw/zinc/22/69/90/221226990.db2.gz JKBBFMSLZSVFQO-OAQYLSRUSA-N 1 0 394.534 4.270 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(OC)c1 ZINC000012951077 221249883 /nfs/dbraw/zinc/24/98/83/221249883.db2.gz LGJNMWQMNHUPEG-OAQYLSRUSA-N 1 0 384.495 4.065 50 0 GIAARO C[C@H]([NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCCC1 ZINC000012993667 221254232 /nfs/dbraw/zinc/25/42/32/221254232.db2.gz ZRZHCTVODUXGCZ-QFBILLFUSA-N 1 0 381.545 4.352 50 0 GIAARO COc1cccc([C@@H](CNC(=O)c2cc(Cl)ccc2F)[NH+]2CCCC2)c1 ZINC000013010394 221256765 /nfs/dbraw/zinc/25/67/65/221256765.db2.gz OJUQIJKSZWVLDP-LJQANCHMSA-N 1 0 376.859 4.055 50 0 GIAARO CCOc1cc(C[NH2+]Cc2ccccc2OC)cc(Br)c1OC ZINC000013720559 221284357 /nfs/dbraw/zinc/28/43/57/221284357.db2.gz APIXMRFEURVURO-UHFFFAOYSA-N 1 0 380.282 4.155 50 0 GIAARO OCC[NH2+]CCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013732818 221285408 /nfs/dbraw/zinc/28/54/08/221285408.db2.gz MEUABQPORJNXST-UHFFFAOYSA-N 1 0 398.934 4.134 50 0 GIAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)n1C1CC1 ZINC000014168355 221301190 /nfs/dbraw/zinc/30/11/90/221301190.db2.gz IVSAGGOFETVADC-UHFFFAOYSA-N 1 0 385.939 4.488 50 0 GIAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccc2c(c1)OCCCO2 ZINC000014165248 221301573 /nfs/dbraw/zinc/30/15/73/221301573.db2.gz HZCDCCYHIBFMHV-XMMPIXPASA-N 1 0 394.515 4.262 50 0 GIAARO COc1ccc(C[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000014253322 221307604 /nfs/dbraw/zinc/30/76/04/221307604.db2.gz UYXJVLSXUHWNGJ-LLVKDONJSA-N 1 0 383.275 4.127 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3s2)CC1)C1CC1 ZINC000014979259 221323161 /nfs/dbraw/zinc/32/31/61/221323161.db2.gz UQKCSZBPAYGXDC-UHFFFAOYSA-N 1 0 380.517 4.283 50 0 GIAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000014980699 221323407 /nfs/dbraw/zinc/32/34/07/221323407.db2.gz FMSHMUZRIFIZMV-QHCPKHFHSA-N 1 0 383.488 4.007 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(-n3cccn3)c2)cnn1-c1ccc(F)cc1F ZINC000014978512 221323426 /nfs/dbraw/zinc/32/34/26/221323426.db2.gz LXGMDSHPJFAIOK-OAHLLOKOSA-N 1 0 393.441 4.495 50 0 GIAARO O=C(c1ncoc1C1CC1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000014948390 221318509 /nfs/dbraw/zinc/31/85/09/221318509.db2.gz ASDFUCLYAFPVAV-QHCPKHFHSA-N 1 0 385.552 4.451 50 0 GIAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC000014957206 221320241 /nfs/dbraw/zinc/32/02/41/221320241.db2.gz VGLWFUUNVXDUQO-SFHVURJKSA-N 1 0 380.517 4.013 50 0 GIAARO COC(=O)CC[C@@H](C)[NH+]1CCC(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000014955212 221320333 /nfs/dbraw/zinc/32/03/33/221320333.db2.gz WXODESZMAJMKIW-OAHLLOKOSA-N 1 0 380.916 4.112 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)cc1 ZINC000014955822 221320884 /nfs/dbraw/zinc/32/08/84/221320884.db2.gz HMCMQLVRAULZNP-SFHVURJKSA-N 1 0 383.513 4.290 50 0 GIAARO Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3)CC2)s1 ZINC000014981579 221324376 /nfs/dbraw/zinc/32/43/76/221324376.db2.gz IYLVIXRVRUBKSI-UHFFFAOYSA-N 1 0 380.517 4.342 50 0 GIAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000015069805 221330067 /nfs/dbraw/zinc/33/00/67/221330067.db2.gz VPZMGFOZJLKOBP-KRWDZBQOSA-N 1 0 396.441 4.001 50 0 GIAARO Cc1cc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc(C)c1Cl ZINC000015831528 221347072 /nfs/dbraw/zinc/34/70/72/221347072.db2.gz TUYWKLONJHOPIL-SFHVURJKSA-N 1 0 378.944 4.203 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860316 221348495 /nfs/dbraw/zinc/34/84/95/221348495.db2.gz BXHSGYVZFMSNEB-HXUWFJFHSA-N 1 0 384.520 4.173 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000015859712 221348589 /nfs/dbraw/zinc/34/85/89/221348589.db2.gz KCDLKPNRXWTKQN-NRFANRHFSA-N 1 0 375.472 4.299 50 0 GIAARO CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCC2)cc1 ZINC000015859691 221348841 /nfs/dbraw/zinc/34/88/41/221348841.db2.gz QGLVAJJBUIIBNV-JOCHJYFZSA-N 1 0 389.499 4.471 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCC(C)CC2)o1 ZINC000015860303 221349341 /nfs/dbraw/zinc/34/93/41/221349341.db2.gz TVNZDLVRLRCOJR-SFHVURJKSA-N 1 0 390.911 4.210 50 0 GIAARO C[N@H+](CCOc1ccccc1)Cc1cc(=O)oc2cc(Br)ccc12 ZINC000016561059 221365047 /nfs/dbraw/zinc/36/50/47/221365047.db2.gz MOYUCRSGOQZJGV-UHFFFAOYSA-N 1 0 388.261 4.066 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1 ZINC000016599681 221366411 /nfs/dbraw/zinc/36/64/11/221366411.db2.gz ZNWLTGACLVMGOR-LJQANCHMSA-N 1 0 383.492 4.066 50 0 GIAARO CCC[NH+]1CCC(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)CC1 ZINC000016605344 221366711 /nfs/dbraw/zinc/36/67/11/221366711.db2.gz IEQAUYYGTYFNMB-UHFFFAOYSA-N 1 0 379.863 4.047 50 0 GIAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016605700 221367039 /nfs/dbraw/zinc/36/70/39/221367039.db2.gz ZQIMPSBLPZCLGV-UHFFFAOYSA-N 1 0 379.863 4.045 50 0 GIAARO Fc1ccc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000017310570 221383646 /nfs/dbraw/zinc/38/36/46/221383646.db2.gz QCOFVOQEZXVVSD-UHFFFAOYSA-N 1 0 386.474 4.465 50 0 GIAARO COc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)ccc1OCc1ccccc1 ZINC000017813139 221384402 /nfs/dbraw/zinc/38/44/02/221384402.db2.gz UUNYZOFYVQFUEG-UHFFFAOYSA-N 1 0 396.531 4.126 50 0 GIAARO O=C(c1ccc(F)cc1Cl)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017077098 221376509 /nfs/dbraw/zinc/37/65/09/221376509.db2.gz NYKOWOUBNIIXTR-UHFFFAOYSA-N 1 0 376.903 4.206 50 0 GIAARO COc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+](C)C)cc1 ZINC000018177772 221388783 /nfs/dbraw/zinc/38/87/83/221388783.db2.gz DBUBQMMJGWKLKI-QGZVFWFLSA-N 1 0 382.291 4.426 50 0 GIAARO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019841773 221459481 /nfs/dbraw/zinc/45/94/81/221459481.db2.gz ZABXKTGGHOTGBI-FGCOXFRFSA-N 1 0 386.539 4.175 50 0 GIAARO Fc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cc5ccccc5o4)C3)CC2)cc1 ZINC000020784108 221512930 /nfs/dbraw/zinc/51/29/30/221512930.db2.gz YXJXSGZEOXCWCZ-JOCHJYFZSA-N 1 0 393.506 4.359 50 0 GIAARO Cc1cccc([C@H](CC(=O)N2CCC([NH+]3CCCCC3)CC2)n2cccc2)c1 ZINC000020999059 221523540 /nfs/dbraw/zinc/52/35/40/221523540.db2.gz HTRDZLTYOGLOMO-QHCPKHFHSA-N 1 0 379.548 4.253 50 0 GIAARO Cc1ccc(CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000072276827 136167871 /nfs/dbraw/zinc/16/78/71/136167871.db2.gz RVHFXDLOUSTCCM-UHFFFAOYSA-N 1 0 399.538 4.498 50 0 GIAARO O=C1CC[C@]2(CCCN(c3cc[nH+]c4ccccc43)C2)CN1Cc1ccccn1 ZINC000091475418 136176588 /nfs/dbraw/zinc/17/65/88/136176588.db2.gz ZPNYHDRKYMCRQG-DEOSSOPVSA-N 1 0 386.499 4.039 50 0 GIAARO COc1ccc([C@H](CNC(=O)N2CCCc3cc(C)ccc32)[NH+]2CCCC2)cc1 ZINC000012909613 136200795 /nfs/dbraw/zinc/20/07/95/136200795.db2.gz ZTFXKLQPRMHHMJ-QHCPKHFHSA-N 1 0 393.531 4.303 50 0 GIAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4ccc(C)cc4)nn3cnc21 ZINC000021801866 221542032 /nfs/dbraw/zinc/54/20/32/221542032.db2.gz PMCDASYQAUIUMP-UHFFFAOYSA-N 1 0 376.508 4.013 50 0 GIAARO COc1ccc([C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)N(C)C)cc1 ZINC000022923037 221576061 /nfs/dbraw/zinc/57/60/61/221576061.db2.gz RXRHYLZRLILJMN-HXUWFJFHSA-N 1 0 384.911 4.131 50 0 GIAARO C[C@@H](OC[C@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1 ZINC000032895622 221745341 /nfs/dbraw/zinc/74/53/41/221745341.db2.gz NWZKWPVUZHVZCA-OPAMFIHVSA-N 1 0 389.923 4.364 50 0 GIAARO Cc1c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)sc2cccc(F)c12 ZINC000057166208 222030090 /nfs/dbraw/zinc/03/00/90/222030090.db2.gz FFJXPSOYTVVLRP-UHFFFAOYSA-N 1 0 383.492 4.138 50 0 GIAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000057290223 222030728 /nfs/dbraw/zinc/03/07/28/222030728.db2.gz CVKKOXOCWWEAFX-MRXNPFEDSA-N 1 0 396.487 4.416 50 0 GIAARO CCOc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000057387108 222032180 /nfs/dbraw/zinc/03/21/80/222032180.db2.gz NGMSDJOJOPPORU-UHFFFAOYSA-N 1 0 394.918 4.498 50 0 GIAARO CCOc1cc(CNCCC[NH2+]C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000057387123 222032508 /nfs/dbraw/zinc/03/25/08/222032508.db2.gz IXXOCYVYYZZGPV-UHFFFAOYSA-N 1 0 380.891 4.156 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000057446783 222034052 /nfs/dbraw/zinc/03/40/52/222034052.db2.gz QMDLHVOPAMKZIB-AWEZNQCLSA-N 1 0 382.895 4.432 50 0 GIAARO CC[C@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1cnc(NCc2ccccc2)nc1 ZINC000055182733 222015847 /nfs/dbraw/zinc/01/58/47/222015847.db2.gz XPMJGADOISTGIX-JOCHJYFZSA-N 1 0 394.494 4.001 50 0 GIAARO Cc1ccc(C(=O)Nc2cc(NC(=O)[C@H](C)C[N@@H+](C)C(C)C)ccc2C)cc1 ZINC000055281434 222018612 /nfs/dbraw/zinc/01/86/12/222018612.db2.gz RFTAWZPEEBVDLR-GOSISDBHSA-N 1 0 381.520 4.471 50 0 GIAARO CCCn1cc(-c2ccncc2)cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000065209813 222110832 /nfs/dbraw/zinc/11/08/32/222110832.db2.gz VJLDYMQJQHGEDD-UHFFFAOYSA-N 1 0 380.536 4.051 50 0 GIAARO O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058009884 222037656 /nfs/dbraw/zinc/03/76/56/222037656.db2.gz ZFMGVAYNTXVSPC-UHFFFAOYSA-N 1 0 385.430 4.361 50 0 GIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)CC1 ZINC000058137637 222040644 /nfs/dbraw/zinc/04/06/44/222040644.db2.gz QVMWTGFEQCQTMP-UHFFFAOYSA-N 1 0 388.515 4.016 50 0 GIAARO CCOC(=O)c1c(C)c2ccccc2nc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000058140177 222041195 /nfs/dbraw/zinc/04/11/95/222041195.db2.gz AUVLSGBBPFZLRL-UHFFFAOYSA-N 1 0 383.536 4.025 50 0 GIAARO O=C(Nc1ccc(OCc2cccs2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058265892 222047678 /nfs/dbraw/zinc/04/76/78/222047678.db2.gz HDDPSOLFOIKJQQ-GOSISDBHSA-N 1 0 385.533 4.419 50 0 GIAARO CC[NH+](CC)CCn1ccc2cc(NC(=O)COc3cccc(F)c3)ccc21 ZINC000058305789 222049899 /nfs/dbraw/zinc/04/98/99/222049899.db2.gz BBLQIFRCNLTFIP-UHFFFAOYSA-N 1 0 383.467 4.140 50 0 GIAARO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000061012484 222060591 /nfs/dbraw/zinc/06/05/91/222060591.db2.gz QZXGNYVLWIERFO-OAQYLSRUSA-N 1 0 382.939 4.286 50 0 GIAARO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000064657410 222076766 /nfs/dbraw/zinc/07/67/66/222076766.db2.gz PBVNAVNRLYCPPT-UHFFFAOYSA-N 1 0 381.545 4.362 50 0 GIAARO Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)s1 ZINC000064761123 222082497 /nfs/dbraw/zinc/08/24/97/222082497.db2.gz BRIKRBOTZIFMEI-UHFFFAOYSA-N 1 0 379.489 4.219 50 0 GIAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3c(C)cc(C)cc3C)CC2)c1 ZINC000064818012 222082989 /nfs/dbraw/zinc/08/29/89/222082989.db2.gz UIRYVGKNUUZSIC-UHFFFAOYSA-N 1 0 378.516 4.069 50 0 GIAARO O=C(NCc1ccc(F)c(Cl)c1)C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000064818049 222083026 /nfs/dbraw/zinc/08/30/26/222083026.db2.gz MTJJMIPUMIAEKV-UHFFFAOYSA-N 1 0 376.834 4.067 50 0 GIAARO Cc1ccc([C@@H]2CC(c3ccccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)cc1 ZINC000065298476 222121476 /nfs/dbraw/zinc/12/14/76/222121476.db2.gz SCYOMWVLWYOZIC-NRFANRHFSA-N 1 0 377.532 4.425 50 0 GIAARO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2Br)c1 ZINC000065565329 222135853 /nfs/dbraw/zinc/13/58/53/222135853.db2.gz HGUJSHICALNDJY-UHFFFAOYSA-N 1 0 376.298 4.223 50 0 GIAARO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CCc2c(C)n[nH]c2C)CCO3)s1 ZINC000067725022 222155490 /nfs/dbraw/zinc/15/54/90/222155490.db2.gz UDDUIPFUTIMJGJ-UHFFFAOYSA-N 1 0 383.517 4.206 50 0 GIAARO FC(F)(F)c1cccc(Oc2ncccc2C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000067784121 222159768 /nfs/dbraw/zinc/15/97/68/222159768.db2.gz OROJCUGHYCIUJW-SFHVURJKSA-N 1 0 377.410 4.077 50 0 GIAARO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@@H+](C[C@H](O)c1ccccc1)C2 ZINC000068860592 222172564 /nfs/dbraw/zinc/17/25/64/222172564.db2.gz NMZYDGGPLPXSCA-QHCPKHFHSA-N 1 0 387.483 4.422 50 0 GIAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCSc2ccccc21 ZINC000069927657 222174522 /nfs/dbraw/zinc/17/45/22/222174522.db2.gz RTTLUZPHYFZWFH-FQEVSTJZSA-N 1 0 381.545 4.319 50 0 GIAARO CCc1nc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 ZINC000071708033 222187991 /nfs/dbraw/zinc/18/79/91/222187991.db2.gz WIMBIIYMAGBZFM-LJQANCHMSA-N 1 0 387.499 4.057 50 0 GIAARO CC(C)(C)OC(=O)CCN1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000071922038 222199666 /nfs/dbraw/zinc/19/96/66/222199666.db2.gz WXUYWQFJAMFAPE-UHFFFAOYSA-N 1 0 386.561 4.265 50 0 GIAARO C[NH+](C)[C@H]1CCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000072479000 222267181 /nfs/dbraw/zinc/26/71/81/222267181.db2.gz CUUQKTPVESVAMQ-IBGZPJMESA-N 1 0 398.913 4.468 50 0 GIAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@H+]3CCC(=O)NC[C@H]3C)cc2c1 ZINC000072421776 222256368 /nfs/dbraw/zinc/25/63/68/222256368.db2.gz SPWZQAWGGYJUOJ-MRXNPFEDSA-N 1 0 377.463 4.060 50 0 GIAARO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2ccc(F)cc2nc1-c1cccc(Cl)c1 ZINC000072456732 222263142 /nfs/dbraw/zinc/26/31/42/222263142.db2.gz OEXOLPVWUVFJAI-IBGZPJMESA-N 1 0 383.854 4.144 50 0 GIAARO O[C@H]1CCC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072474206 222264813 /nfs/dbraw/zinc/26/48/13/222264813.db2.gz PWINAMMHOMDPFC-SFHVURJKSA-N 1 0 396.874 4.241 50 0 GIAARO Cc1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)on1 ZINC000095502630 222336994 /nfs/dbraw/zinc/33/69/94/222336994.db2.gz OYESJMUXSVPJPA-OAQYLSRUSA-N 1 0 382.552 4.425 50 0 GIAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000095507630 222340676 /nfs/dbraw/zinc/34/06/76/222340676.db2.gz GGXUPCMSRVMYTD-UHFFFAOYSA-N 1 0 389.547 4.107 50 0 GIAARO Cc1nc2cc(NC(=O)c3ccc4c(ccn4C)c3)ccc2n1CCC[NH+](C)C ZINC000079473625 222304449 /nfs/dbraw/zinc/30/44/49/222304449.db2.gz XMLIEQDASCRELZ-UHFFFAOYSA-N 1 0 389.503 4.040 50 0 GIAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1cccc2ccccc21 ZINC000082106530 222308831 /nfs/dbraw/zinc/30/88/31/222308831.db2.gz ZKOKISYBAMQNTB-UHFFFAOYSA-N 1 0 388.515 4.115 50 0 GIAARO C[NH+]1CCC(Nc2ccccc2NC(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000083877672 222313298 /nfs/dbraw/zinc/31/32/98/222313298.db2.gz NMTXIMCSDSEHCP-UHFFFAOYSA-N 1 0 399.922 4.448 50 0 GIAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@@H+]1CCCn1ccnc1 ZINC000095521523 222346796 /nfs/dbraw/zinc/34/67/96/222346796.db2.gz QJGMAXBAIOKXNL-QFIPXVFZSA-N 1 0 392.478 4.182 50 0 GIAARO COCc1ccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)s1 ZINC000096140027 222388584 /nfs/dbraw/zinc/38/85/84/222388584.db2.gz PMPGVVFNIUEPFR-IBGZPJMESA-N 1 0 398.572 4.236 50 0 GIAARO Cc1cc2[nH]c(C(=O)Nc3ccc4c(c3)OCCO4)c(C[NH+]3CCCC3)c2s1 ZINC000097097125 222438673 /nfs/dbraw/zinc/43/86/73/222438673.db2.gz VHTIYUSMSWBHOJ-UHFFFAOYSA-N 1 0 397.500 4.157 50 0 GIAARO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000004302734 534706011 /nfs/dbraw/zinc/70/60/11/534706011.db2.gz SMVCTVAJINAZBI-UHFFFAOYSA-N 1 0 381.426 4.450 50 0 GIAARO CC[C@@H](O)c1ccc(-c2ccc(C(=O)N3CC([NH+]4CCCCC4)C3)cc2)cc1 ZINC000426429127 529238095 /nfs/dbraw/zinc/23/80/95/529238095.db2.gz ZFAXASAUASKMOW-HSZRJFAPSA-N 1 0 378.516 4.107 50 0 GIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3C=C12 ZINC000059410484 535242501 /nfs/dbraw/zinc/24/25/01/535242501.db2.gz ATTPURVGODAPOY-SWXWDQRWSA-N 1 0 392.543 4.043 50 0 GIAARO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2ccc(SC)cc2)CC1 ZINC000040103963 535753388 /nfs/dbraw/zinc/75/33/88/535753388.db2.gz HVOCECCQKBOBQK-UHFFFAOYSA-N 1 0 398.576 4.214 50 0 GIAARO Cc1cc(NC(=O)CN(C)Cc2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000012795536 570217129 /nfs/dbraw/zinc/21/71/29/570217129.db2.gz NFQAACNSLXQMAK-UHFFFAOYSA-N 1 0 386.858 4.044 50 0 GIAARO C[NH+]1CCN(CCO[C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019802426 570220809 /nfs/dbraw/zinc/22/08/09/570220809.db2.gz BJZHTQLHPCJNND-LJQANCHMSA-N 1 0 388.964 4.352 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)Nc1cnc2ccccc2c1)[NH+]1CCCC1 ZINC000048309704 570232671 /nfs/dbraw/zinc/23/26/71/570232671.db2.gz HUFYBESVKVUAND-NRFANRHFSA-N 1 0 390.487 4.202 50 0 GIAARO Cc1noc(C)c1CCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048333536 570237595 /nfs/dbraw/zinc/23/75/95/570237595.db2.gz TZMFKMZIBDQWDY-IAGOWNOFSA-N 1 0 383.536 4.018 50 0 GIAARO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccs1 ZINC000048367142 570246863 /nfs/dbraw/zinc/24/68/63/570246863.db2.gz MKRGJHJYJFYREU-JXFKEZNVSA-N 1 0 399.560 4.329 50 0 GIAARO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)c(C)c1 ZINC000020294841 570251523 /nfs/dbraw/zinc/25/15/23/570251523.db2.gz FNLXAUPAAFMZBJ-QHCPKHFHSA-N 1 0 390.527 4.019 50 0 GIAARO CN(C)c1nc(Cl)c(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)s1 ZINC000020452139 570257869 /nfs/dbraw/zinc/25/78/69/570257869.db2.gz PUUAGJYOQMOWNX-QGZVFWFLSA-N 1 0 393.000 4.001 50 0 GIAARO O=C(Cc1ccccc1)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023319389 570262307 /nfs/dbraw/zinc/26/23/07/570262307.db2.gz DHZGNRAVCRXPCA-UHFFFAOYSA-N 1 0 396.534 4.262 50 0 GIAARO Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)C1 ZINC000049420995 570267048 /nfs/dbraw/zinc/26/70/48/570267048.db2.gz HBWNEEQVGWFNOW-JOCHJYFZSA-N 1 0 386.499 4.011 50 0 GIAARO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)s1 ZINC000020542676 570267212 /nfs/dbraw/zinc/26/72/12/570267212.db2.gz YGPPJRLPACOFLO-FQEVSTJZSA-N 1 0 389.996 4.497 50 0 GIAARO Fc1ccccc1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000020601338 570270059 /nfs/dbraw/zinc/27/00/59/570270059.db2.gz RHRUWQLMSIQNGC-MRXNPFEDSA-N 1 0 379.435 4.324 50 0 GIAARO Fc1ccccc1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000020601339 570270442 /nfs/dbraw/zinc/27/04/42/570270442.db2.gz RHRUWQLMSIQNGC-INIZCTEOSA-N 1 0 379.435 4.324 50 0 GIAARO CC(=O)Nc1ccc(NC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000020733712 570277814 /nfs/dbraw/zinc/27/78/14/570277814.db2.gz TZWDLZPHDJNQIZ-UHFFFAOYSA-N 1 0 399.494 4.305 50 0 GIAARO Fc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cc5ccccc5o4)C3)CC2)cc1 ZINC000020784111 570280453 /nfs/dbraw/zinc/28/04/53/570280453.db2.gz YXJXSGZEOXCWCZ-QFIPXVFZSA-N 1 0 393.506 4.359 50 0 GIAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000020875088 570283276 /nfs/dbraw/zinc/28/32/76/570283276.db2.gz IJPSBEZRHQOZHM-UHFFFAOYSA-N 1 0 388.939 4.039 50 0 GIAARO Clc1ccc(CN2CCC[C@@H]([NH2+]Cc3cccn3-c3cccnc3)C2)cc1 ZINC000020906097 570283612 /nfs/dbraw/zinc/28/36/12/570283612.db2.gz MQWDMFLFDWIXTI-HXUWFJFHSA-N 1 0 380.923 4.280 50 0 GIAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1OC ZINC000020931458 570285400 /nfs/dbraw/zinc/28/54/00/570285400.db2.gz KHHVXWARIVBEMD-UHFFFAOYSA-N 1 0 393.911 4.487 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 ZINC000021807575 570297138 /nfs/dbraw/zinc/29/71/38/570297138.db2.gz FEPXEFYJSNCPOW-OAQYLSRUSA-N 1 0 377.488 4.463 50 0 GIAARO COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000034697522 570298797 /nfs/dbraw/zinc/29/87/97/570298797.db2.gz GLSKZCSLOVTGBU-GGAORHGYSA-N 1 0 378.516 4.037 50 0 GIAARO COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C[NH+]2CCCCC2)c1 ZINC000034698594 570299076 /nfs/dbraw/zinc/29/90/76/570299076.db2.gz VWBMRUOSNWKUBI-VWNXMTODSA-N 1 0 392.543 4.345 50 0 GIAARO COc1cccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C[NH+]2CCCCC2)c1 ZINC000034698595 570299147 /nfs/dbraw/zinc/29/91/47/570299147.db2.gz VWBMRUOSNWKUBI-LADGPHEKSA-N 1 0 392.543 4.345 50 0 GIAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)c1 ZINC000216489987 570302443 /nfs/dbraw/zinc/30/24/43/570302443.db2.gz GUJSARYKVDDHDX-QFIPXVFZSA-N 1 0 376.504 4.302 50 0 GIAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccccc1F ZINC000022075276 570305154 /nfs/dbraw/zinc/30/51/54/570305154.db2.gz NIOXKXJTPILQRN-OAQYLSRUSA-N 1 0 381.447 4.237 50 0 GIAARO COc1ccccc1C[N@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000022240808 570309742 /nfs/dbraw/zinc/30/97/42/570309742.db2.gz BBUQDPSNKVKYIC-JOCHJYFZSA-N 1 0 377.484 4.234 50 0 GIAARO O=C(Nc1ccccc1C(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002858380 570310684 /nfs/dbraw/zinc/31/06/84/570310684.db2.gz TWBCRCIURDQPIZ-UHFFFAOYSA-N 1 0 377.410 4.492 50 0 GIAARO CC1CC[NH+](CCOCCOc2ccc(Cl)cc2Br)CC1 ZINC000002954031 570319931 /nfs/dbraw/zinc/31/99/31/570319931.db2.gz BBIHYZVVPNDFEM-UHFFFAOYSA-N 1 0 376.722 4.230 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)c1oc2c(cccc2F)c1C)[NH+]1CCCC1 ZINC000022680063 570324227 /nfs/dbraw/zinc/32/42/27/570324227.db2.gz SMMPOGGECPVJRY-IBGZPJMESA-N 1 0 396.462 4.456 50 0 GIAARO CCCOc1ccc(Br)cc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113399023 570331962 /nfs/dbraw/zinc/33/19/62/570331962.db2.gz FHLGPDAHKIKLOC-UHFFFAOYSA-N 1 0 388.309 4.447 50 0 GIAARO OCC[C@H]1CN(CC(c2ccccc2)c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000022932814 570337703 /nfs/dbraw/zinc/33/77/03/570337703.db2.gz RUUIFVZIJUTLSQ-DEOSSOPVSA-N 1 0 378.560 4.130 50 0 GIAARO CC[NH+](CC)CCOC(=O)[C@H](Cc1cccc2ccccc21)C[C@H]1CCCO1 ZINC000003831174 570351173 /nfs/dbraw/zinc/35/11/73/570351173.db2.gz KBAFPSLPKGSANY-FGZHOGPDSA-N 1 0 383.532 4.453 50 0 world GIAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@H](C)Cc4ccccn4)CC3)c2)n1 ZINC000023337839 570355020 /nfs/dbraw/zinc/35/50/20/570355020.db2.gz WAPDPPFLDCNNSO-GOSISDBHSA-N 1 0 387.531 4.037 50 0 GIAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH2+]Cc2ccccc2)cc1 ZINC000004139802 570359010 /nfs/dbraw/zinc/35/90/10/570359010.db2.gz HXDSBPSCLINPLD-JOCHJYFZSA-N 1 0 386.495 4.468 50 0 GIAARO Cc1nc(NC(=[NH2+])Nc2cccc(Cl)c2C)[nH]c(=O)c1Cc1ccccc1 ZINC000004148822 570359900 /nfs/dbraw/zinc/35/99/00/570359900.db2.gz ACSHYBDWMPBHPF-UHFFFAOYSA-N 1 0 381.867 4.090 50 0 GIAARO CCCCN(C)C(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1 ZINC000004907832 570361399 /nfs/dbraw/zinc/36/13/99/570361399.db2.gz VVSHUHWQCFJNOL-UHFFFAOYSA-N 1 0 399.608 4.114 50 0 GIAARO O[C@@H](C[NH2+]C[C@@H]1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004192510 570362319 /nfs/dbraw/zinc/36/23/19/570362319.db2.gz VWROENVTHCVTHF-HOTGVXAUSA-N 1 0 393.314 4.231 50 0 aggregator GIAARO Cc1cc(C)n(-c2cccc(C[NH+]3CCC(CCC(=O)N4CCCC4)CC3)c2)n1 ZINC000023478294 570363263 /nfs/dbraw/zinc/36/32/63/570363263.db2.gz OROWRSNVZRLNTP-UHFFFAOYSA-N 1 0 394.563 4.104 50 0 GIAARO O=C(CCc1ccccc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023957190 570375962 /nfs/dbraw/zinc/37/59/62/570375962.db2.gz CHUIRFOLHLGZIJ-UHFFFAOYSA-N 1 0 376.475 4.256 50 0 GIAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000024742985 570390884 /nfs/dbraw/zinc/39/08/84/570390884.db2.gz GQGLVSRJGIJLCL-UHFFFAOYSA-N 1 0 392.421 4.114 50 0 GIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000024773615 570393031 /nfs/dbraw/zinc/39/30/31/570393031.db2.gz CEPITCUORAZJIF-UHFFFAOYSA-N 1 0 389.478 4.163 50 0 GIAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)nc1)C1CCCCC1 ZINC000024909997 570398193 /nfs/dbraw/zinc/39/81/93/570398193.db2.gz HQNQNBOAYWEVOJ-UHFFFAOYSA-N 1 0 389.503 4.284 50 0 GIAARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Br)C1)N1CCCCCC1 ZINC000004745211 570401859 /nfs/dbraw/zinc/40/18/59/570401859.db2.gz YYMVVDYXESRLFA-KRWDZBQOSA-N 1 0 379.342 4.064 50 0 GIAARO C[NH+](C)CCCNC(=O)c1cccnc1Oc1ccc(-c2ccccc2)cc1 ZINC000024990608 570402324 /nfs/dbraw/zinc/40/23/24/570402324.db2.gz GCDRGPJOJKILKU-UHFFFAOYSA-N 1 0 375.472 4.222 50 0 GIAARO COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000000897251 570412941 /nfs/dbraw/zinc/41/29/41/570412941.db2.gz ADEBPBSSDYVVLD-HXUWFJFHSA-N 1 0 379.500 4.361 50 0 fda GIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc(OC)c3)=NN12 ZINC000005092464 570415464 /nfs/dbraw/zinc/41/54/64/570415464.db2.gz MIMZYZIQXOUVCL-JOCHJYFZSA-N 1 0 391.515 4.441 50 0 GIAARO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc(Cl)c1OC(C)C ZINC000025784295 570419450 /nfs/dbraw/zinc/41/94/50/570419450.db2.gz PMYJRLDFFZDOBQ-OAHLLOKOSA-N 1 0 396.940 4.230 50 0 GIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H](c1ccccc1)n1cccc1 ZINC000524729158 570420383 /nfs/dbraw/zinc/42/03/83/570420383.db2.gz GRDUXECVEAXMPW-ZRBLBEILSA-N 1 0 379.548 4.191 50 0 GIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)CCc3ccccc3)sc2c(C)c1 ZINC000005121656 570421406 /nfs/dbraw/zinc/42/14/06/570421406.db2.gz JVBNIBGAVQYKEU-UHFFFAOYSA-N 1 0 381.545 4.441 50 0 GIAARO C[C@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccc(Cl)cc1Cl ZINC000026388949 570425414 /nfs/dbraw/zinc/42/54/14/570425414.db2.gz NHSOIKMRTBGUHZ-LBPRGKRZSA-N 1 0 390.274 4.135 50 0 GIAARO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)C1=O ZINC000242302197 570432480 /nfs/dbraw/zinc/43/24/80/570432480.db2.gz YQKVBGLHINWPPG-MEKIYTOJSA-N 1 0 391.515 4.219 50 0 GIAARO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+][C@H]4CCOC(C)(C)C4)CC3)nc2c1 ZINC000244796059 570433419 /nfs/dbraw/zinc/43/34/19/570433419.db2.gz RRZOWIFMTAXWLQ-OALUTQOASA-N 1 0 382.552 4.153 50 0 GIAARO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000027571420 570435800 /nfs/dbraw/zinc/43/58/00/570435800.db2.gz JORCBJVBHOXNDR-LOXVZWDBSA-N 1 0 380.532 4.123 50 0 GIAARO Cc1c(C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)oc2cc(C)cc(C)c12 ZINC000027580377 570436280 /nfs/dbraw/zinc/43/62/80/570436280.db2.gz WITQXCRKBSDDFI-UHFFFAOYSA-N 1 0 397.563 4.038 50 0 GIAARO Cc1cccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)c1C ZINC000027741500 570440631 /nfs/dbraw/zinc/44/06/31/570440631.db2.gz UFJWJDQBGKHAFY-LJQANCHMSA-N 1 0 386.561 4.477 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2ccccc2OC)[NH+]2CCCCCC2)cc1 ZINC000027793755 570443076 /nfs/dbraw/zinc/44/30/76/570443076.db2.gz KUNMZHQKPFZLDA-NRFANRHFSA-N 1 0 382.504 4.051 50 0 GIAARO CN(c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1)C1CC[NH+](C)CC1 ZINC000072272717 570453709 /nfs/dbraw/zinc/45/37/09/570453709.db2.gz MHSVTMRQWLHHMS-UHFFFAOYSA-N 1 0 389.446 4.071 50 0 GIAARO CCc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)cc1 ZINC000028289265 570455185 /nfs/dbraw/zinc/45/51/85/570455185.db2.gz SVIVVTHHDYVRRP-JOCHJYFZSA-N 1 0 382.548 4.344 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000028289308 570455660 /nfs/dbraw/zinc/45/56/60/570455660.db2.gz LCERSQHSYDQFNB-LJQANCHMSA-N 1 0 388.939 4.435 50 0 GIAARO Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000028291546 570456026 /nfs/dbraw/zinc/45/60/26/570456026.db2.gz HDWJRDWEAABFJZ-IBGZPJMESA-N 1 0 386.561 4.333 50 0 GIAARO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000072274452 570458082 /nfs/dbraw/zinc/45/80/82/570458082.db2.gz UGQRAWSIZZDNDY-UHFFFAOYSA-N 1 0 398.551 4.230 50 0 GIAARO CCc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCC2)cc1 ZINC000028403774 570459078 /nfs/dbraw/zinc/45/90/78/570459078.db2.gz FWACUDWJZGJIPQ-HSZRJFAPSA-N 1 0 380.532 4.198 50 0 GIAARO COc1ccc(OC)c(C[NH2+]C[C@](C)(O)C(c2ccccc2)c2ccccc2)c1 ZINC000072289924 570482909 /nfs/dbraw/zinc/48/29/09/570482909.db2.gz CAYMXCRAFXFJRN-VWLOTQADSA-N 1 0 391.511 4.377 50 0 GIAARO CC(C)c1ccc([C@@H]([NH2+]CC(=O)NC(=O)NC2CCCC2)c2cccs2)cc1 ZINC000030505707 570489948 /nfs/dbraw/zinc/48/99/48/570489948.db2.gz JGLYHWLQGPNTON-OAQYLSRUSA-N 1 0 399.560 4.319 50 0 GIAARO COc1cc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc(OC)c1OC ZINC000030545881 570491046 /nfs/dbraw/zinc/49/10/46/570491046.db2.gz MVYYEJGHUQKGGG-UHFFFAOYSA-N 1 0 387.810 4.257 50 0 GIAARO CC(C)(CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000006883125 570498314 /nfs/dbraw/zinc/49/83/14/570498314.db2.gz VERVMGPIPRFWPM-UHFFFAOYSA-N 1 0 382.273 4.028 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)Cc1cccc2ccccc21)[NH+]1CCCC1 ZINC000022679697 570516898 /nfs/dbraw/zinc/51/68/98/570516898.db2.gz AHODAOVBLLADJQ-HSZRJFAPSA-N 1 0 388.511 4.344 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1C ZINC000036031479 570517871 /nfs/dbraw/zinc/51/78/71/570517871.db2.gz WBWZDIFPENSQJM-QHCPKHFHSA-N 1 0 391.511 4.446 50 0 GIAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)c1 ZINC000036098530 570536712 /nfs/dbraw/zinc/53/67/12/570536712.db2.gz JZGKFMPZWCLOGW-HSZRJFAPSA-N 1 0 379.475 4.440 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036102174 570539030 /nfs/dbraw/zinc/53/90/30/570539030.db2.gz KSTUNJDSKFSIIO-HSZRJFAPSA-N 1 0 391.511 4.446 50 0 GIAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036102939 570540412 /nfs/dbraw/zinc/54/04/12/570540412.db2.gz UMVMWBWVWFZURE-FQEVSTJZSA-N 1 0 375.484 4.013 50 0 GIAARO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH2+]Cc2ccco2)cc1 ZINC000004918141 570540638 /nfs/dbraw/zinc/54/06/38/570540638.db2.gz KHDQXHOIUIGRRS-IBGZPJMESA-N 1 0 376.456 4.061 50 0 GIAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)(C)C)c1 ZINC000036103940 570540738 /nfs/dbraw/zinc/54/07/38/570540738.db2.gz MYZPFBGCUMVELB-OAQYLSRUSA-N 1 0 399.531 4.210 50 0 GIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000034896543 570547305 /nfs/dbraw/zinc/54/73/05/570547305.db2.gz ZKFNNBYGYKJSND-IRLDBZIGSA-N 1 0 398.572 4.289 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccs1 ZINC000032970894 570554984 /nfs/dbraw/zinc/55/49/84/570554984.db2.gz XNROKUMTBAUSQO-IBGZPJMESA-N 1 0 393.512 4.033 50 0 GIAARO CC[C@@H](C)C[NH2+]CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1 ZINC000036094727 570560566 /nfs/dbraw/zinc/56/05/66/570560566.db2.gz AEENEMOEBJOKGN-OXQOHEQNSA-N 1 0 386.561 4.197 50 0 in-vitro GIAARO Cc1nnc([C@H]2Cc3ccccc3CN2C[C@@H](O)Cc2ccc3ccccc3c2)o1 ZINC000225396018 570569415 /nfs/dbraw/zinc/56/94/15/570569415.db2.gz MQPYVTJSMDWYRX-BJKOFHAPSA-N 1 0 399.494 4.234 50 0 GIAARO CC[NH+](CC)Cc1cccc(CNC(=O)Cn2cc(-c3ccccc3)c(C)n2)c1 ZINC000225521563 570583229 /nfs/dbraw/zinc/58/32/29/570583229.db2.gz IMUDCBFAXVQJLZ-UHFFFAOYSA-N 1 0 390.531 4.017 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000029192776 570587065 /nfs/dbraw/zinc/58/70/65/570587065.db2.gz UEMDDXHXESYRAW-SFHVURJKSA-N 1 0 393.300 4.401 50 0 GIAARO COc1cccc(CNCCC[NH+](C)C)c1OCc1c(F)cccc1Cl ZINC000040719477 570603964 /nfs/dbraw/zinc/60/39/64/570603964.db2.gz VBFKMOVFFPYBOZ-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO C[NH2+]CCCNCc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040719482 570604064 /nfs/dbraw/zinc/60/40/64/570604064.db2.gz GCSTUJFRLACHFM-UHFFFAOYSA-N 1 0 383.319 4.280 50 0 GIAARO CCOc1cc(CNCCC[NH2+]C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720502 570605491 /nfs/dbraw/zinc/60/54/91/570605491.db2.gz UMFJXWHPXPZYRE-UHFFFAOYSA-N 1 0 376.928 4.325 50 0 GIAARO COc1cccc(C[NH2+]C(C)(C)CO)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722491 570606777 /nfs/dbraw/zinc/60/67/77/570606777.db2.gz MTGGGEUPIMYWDI-UHFFFAOYSA-N 1 0 384.303 4.442 50 0 GIAARO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(OC)c2OC(C)C)cc1OC ZINC000040728310 570608044 /nfs/dbraw/zinc/60/80/44/570608044.db2.gz PFJXUEYVEWQYSL-UHFFFAOYSA-N 1 0 393.911 4.485 50 0 GIAARO COc1ccc(C[NH2+]Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040732862 570608979 /nfs/dbraw/zinc/60/89/79/570608979.db2.gz QDWLOKQKGUSQAJ-UHFFFAOYSA-N 1 0 390.483 4.311 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1C ZINC000040739355 570611068 /nfs/dbraw/zinc/61/10/68/570611068.db2.gz MINIQNSGZFYHOJ-GOSISDBHSA-N 1 0 378.310 4.197 50 0 GIAARO CCCCOCCC[NH2+]Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 ZINC000040739164 570611153 /nfs/dbraw/zinc/61/11/53/570611153.db2.gz RKONYPNHUANTQK-UHFFFAOYSA-N 1 0 384.520 4.309 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040744076 570613528 /nfs/dbraw/zinc/61/35/28/570613528.db2.gz OBVSTVHIOFWONV-ZDUSSCGKSA-N 1 0 384.303 4.442 50 0 GIAARO COc1cc(C[NH2+]CCCCO)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040744332 570613592 /nfs/dbraw/zinc/61/35/92/570613592.db2.gz IOTKYYUNIKTMKN-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO C[NH+](C)Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000225800133 570618436 /nfs/dbraw/zinc/61/84/36/570618436.db2.gz TUPDYHMSACDLKC-OAQYLSRUSA-N 1 0 379.891 4.316 50 0 GIAARO O=c1c2cccc(C(F)(F)F)c2ncn1CCC1CC[NH+](C2CCCC2)CC1 ZINC000042451744 570619424 /nfs/dbraw/zinc/61/94/24/570619424.db2.gz BVJBPAWGEALBIC-UHFFFAOYSA-N 1 0 393.453 4.460 50 0 GIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccs1 ZINC000004337817 570674686 /nfs/dbraw/zinc/67/46/86/570674686.db2.gz LVFQDQKLQYIAEG-LJQANCHMSA-N 1 0 396.512 4.050 50 0 GIAARO Cc1cccn2c(=O)c(C[N@H+](C)CCCSc3ccccc3)c(Cl)nc12 ZINC000055060748 570681153 /nfs/dbraw/zinc/68/11/53/570681153.db2.gz BNQZLNHBTBJXAR-UHFFFAOYSA-N 1 0 387.936 4.271 50 0 GIAARO Fc1ccccc1Cn1nc(C[NH2+]CCc2ccccc2)c(-c2ccccc2)n1 ZINC000247490590 570715171 /nfs/dbraw/zinc/71/51/71/570715171.db2.gz BGSUHHKUTZZXRV-UHFFFAOYSA-N 1 0 386.474 4.465 50 0 GIAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000004413730 570749385 /nfs/dbraw/zinc/74/93/85/570749385.db2.gz SHLYFCGTPLHQFH-UHFFFAOYSA-N 1 0 387.907 4.316 50 0 GIAARO C[NH+](C)CCCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000008373845 570768632 /nfs/dbraw/zinc/76/86/32/570768632.db2.gz MYIWUYRHBYDWTA-UHFFFAOYSA-N 1 0 377.326 4.069 50 0 GIAARO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1OCc1ccc(F)cc1 ZINC000004488597 570803426 /nfs/dbraw/zinc/80/34/26/570803426.db2.gz DDFXLWOKZHFUEW-UHFFFAOYSA-N 1 0 395.430 4.432 50 0 GIAARO O=C(NCC(F)(F)F)c1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000032770127 570803832 /nfs/dbraw/zinc/80/38/32/570803832.db2.gz IKLHJQITGWREFE-UHFFFAOYSA-N 1 0 380.385 4.282 50 0 GIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(Br)c1 ZINC000005938089 570806626 /nfs/dbraw/zinc/80/66/26/570806626.db2.gz MNQUOYFFQQGFFH-UHFFFAOYSA-N 1 0 379.342 4.368 50 0 GIAARO O=C(Cc1csc(-c2ccccc2Cl)n1)NCCCNc1cc[nH+]cc1 ZINC000170607483 570864401 /nfs/dbraw/zinc/86/44/01/570864401.db2.gz GDCZUTXVZJPPLW-UHFFFAOYSA-N 1 0 386.908 4.019 50 0 GIAARO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1 ZINC000015061666 570874680 /nfs/dbraw/zinc/87/46/80/570874680.db2.gz HBWOHUXRXWCLMI-HXUWFJFHSA-N 1 0 380.517 4.235 50 0 GIAARO O=C(NCCC[NH+]1CCCCCC1)c1cc2c(s1)c1ccccc1oc2=O ZINC000004563765 570891035 /nfs/dbraw/zinc/89/10/35/570891035.db2.gz NTLNMMYGZWBNQR-UHFFFAOYSA-N 1 0 384.501 4.004 50 0 GIAARO c1ccc([C@@H]2C[C@H](c3noc(Cc4ccc5c(c4)OCO5)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299776432 570894647 /nfs/dbraw/zinc/89/46/47/570894647.db2.gz KSCXIDMPSLBAJZ-OTWHNJEPSA-N 1 0 389.455 4.082 50 0 GIAARO CC(C)=CC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000299781061 570895147 /nfs/dbraw/zinc/89/51/47/570895147.db2.gz SNDCHBOVVZWQBC-MJGOQNOKSA-N 1 0 380.454 4.485 50 0 GIAARO COCC[C@@H]1CCCCN1C(=O)c1cccc(-c2cccc3c(N)cc[nH+]c32)c1 ZINC000534576740 570901103 /nfs/dbraw/zinc/90/11/03/570901103.db2.gz FQCNDXCHPWOBRD-IBGZPJMESA-N 1 0 389.499 4.346 50 0 GIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263584928 570907947 /nfs/dbraw/zinc/90/79/47/570907947.db2.gz CEYCACVGGCARNN-TYPHKJRUSA-N 1 0 385.577 4.252 50 0 GIAARO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccn2)[NH+]2CCC(C)CC2)cc1 ZINC000534670132 570920406 /nfs/dbraw/zinc/92/04/06/570920406.db2.gz YQGZPLSOTZRVET-QFIPXVFZSA-N 1 0 380.536 4.005 50 0 GIAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc(OC(F)F)cc1 ZINC000192596377 570932092 /nfs/dbraw/zinc/93/20/92/570932092.db2.gz NRWPAQBSRYCFIW-UHFFFAOYSA-N 1 0 375.419 4.206 50 0 GIAARO Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C ZINC000032924231 570935633 /nfs/dbraw/zinc/93/56/33/570935633.db2.gz CXPQHIMMEDWDFO-HXUWFJFHSA-N 1 0 380.532 4.373 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(F)cc2Br)C1 ZINC000047038839 570939349 /nfs/dbraw/zinc/93/93/49/570939349.db2.gz ZPLDQKVJUNEGDE-KBPBESRZSA-N 1 0 385.321 4.076 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2COc2ccccc2)C1 ZINC000032936016 570948207 /nfs/dbraw/zinc/94/82/07/570948207.db2.gz YPUQUZSUZOEZHE-BGYRXZFFSA-N 1 0 380.532 4.363 50 0 GIAARO O=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047326237 570953634 /nfs/dbraw/zinc/95/36/34/570953634.db2.gz RRNCEBJCHSCFDO-UHFFFAOYSA-N 1 0 379.291 4.175 50 0 GIAARO Cc1cccc(-c2noc(-c3cc(N4CC[NH+](C)CC4)nc4ccccc43)n2)c1 ZINC000033282545 570957739 /nfs/dbraw/zinc/95/77/39/570957739.db2.gz ILNGRVZWKFJJPF-UHFFFAOYSA-N 1 0 385.471 4.012 50 0 GIAARO COc1ccc2c(c1NC(=O)N(C)C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000252482095 570968028 /nfs/dbraw/zinc/96/80/28/570968028.db2.gz CXUPESABKAIUFM-UHFFFAOYSA-N 1 0 393.531 4.312 50 0 GIAARO Brc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019363392 570979596 /nfs/dbraw/zinc/97/95/96/570979596.db2.gz DCJMNODLUBWXRL-SFTDATJTSA-N 1 0 385.349 4.417 50 0 GIAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)c1cc(Cl)ccc1Cl ZINC000252536205 570990700 /nfs/dbraw/zinc/99/07/00/570990700.db2.gz HWAHHFSTADZOHB-UHFFFAOYSA-N 1 0 387.376 4.331 50 0 GIAARO Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000084053120 570992109 /nfs/dbraw/zinc/99/21/09/570992109.db2.gz CSPPASXWTOFSSS-GOSISDBHSA-N 1 0 395.528 4.035 50 0 GIAARO Fc1ccccc1-c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)o1 ZINC000023247701 570992667 /nfs/dbraw/zinc/99/26/67/570992667.db2.gz NWLDBTQZDTVGJM-IBGZPJMESA-N 1 0 386.492 4.310 50 0 GIAARO CC[NH+](CC)CCNC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000004689794 570996036 /nfs/dbraw/zinc/99/60/36/570996036.db2.gz BMNFAAOXQSEZPD-UHFFFAOYSA-N 1 0 387.336 4.265 50 0 GIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000004812301 570999266 /nfs/dbraw/zinc/99/92/66/570999266.db2.gz DCVDFGZAQONNLU-IBGZPJMESA-N 1 0 399.441 4.253 50 0 GIAARO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cccc(O)c3)CC2)CN1C1CC1 ZINC000091391337 571006058 /nfs/dbraw/zinc/00/60/58/571006058.db2.gz NWNAXKDGSFVZJN-HSZRJFAPSA-N 1 0 390.527 4.153 50 0 GIAARO O=C1CCC2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)CN1C1CCCC1 ZINC000091475399 571010518 /nfs/dbraw/zinc/01/05/18/571010518.db2.gz OARDJGKRRNSEKN-UHFFFAOYSA-N 1 0 392.547 4.020 50 0 GIAARO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1C(F)(F)F ZINC000084501592 571019373 /nfs/dbraw/zinc/01/93/73/571019373.db2.gz PDSZLINTMWCZLB-QZTJIDSGSA-N 1 0 393.405 4.347 50 0 GIAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(-c3ccccc3)s1)CC2 ZINC000091691629 571025904 /nfs/dbraw/zinc/02/59/04/571025904.db2.gz JBNFVTUIWLNJLD-UHFFFAOYSA-N 1 0 378.545 4.117 50 0 GIAARO CCC[C@H]1CN(C(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)C[C@@H]1[NH3+] ZINC000091724321 571027724 /nfs/dbraw/zinc/02/77/24/571027724.db2.gz UQJVLJTVJJCSMR-CVDCTZTESA-N 1 0 377.532 4.023 50 0 GIAARO CCc1ccccc1C[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091756338 571029885 /nfs/dbraw/zinc/02/98/85/571029885.db2.gz LPMXEYVGTKOWKG-UHFFFAOYSA-N 1 0 377.532 4.049 50 0 GIAARO CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095379292 571066237 /nfs/dbraw/zinc/06/62/37/571066237.db2.gz YGPDZQKUNCRUPL-GOSISDBHSA-N 1 0 376.422 4.445 50 0 GIAARO COc1ccc([C@@H]2CN(C(=O)c3cc(C)ccc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095383006 571068691 /nfs/dbraw/zinc/06/86/91/571068691.db2.gz KEKDTJHVYNLXOL-RBZQAINGSA-N 1 0 390.527 4.014 50 0 GIAARO CCOc1ccccc1C[N@@H+]1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095387154 571070807 /nfs/dbraw/zinc/07/08/07/571070807.db2.gz YQSRSMCIOGXIHJ-ICDZXHCJSA-N 1 0 392.543 4.156 50 0 GIAARO Clc1ccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000057061409 823245751 /nfs/dbraw/zinc/24/57/51/823245751.db2.gz RJDWLPSKJZJNEJ-UHFFFAOYSA-N 1 0 377.879 4.087 50 0 GIAARO C[NH+](C)CCC[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002690147 817398020 /nfs/dbraw/zinc/39/80/20/817398020.db2.gz ZUXCZVPFDKRZKN-INIZCTEOSA-N 1 0 394.346 4.004 50 0 GIAARO COc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2cccnc2)cc1Cl ZINC000002934219 817406584 /nfs/dbraw/zinc/40/65/84/817406584.db2.gz ZLYZRQJETYDCSZ-CQSZACIVSA-N 1 0 392.956 4.065 50 0 GIAARO Cc1ccc(Cl)cc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccccn1 ZINC000003025938 817412132 /nfs/dbraw/zinc/41/21/32/817412132.db2.gz ILGSKFCDDWAPGP-OAHLLOKOSA-N 1 0 376.957 4.365 50 0 GIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)c(Cl)c1 ZINC000003049945 817415411 /nfs/dbraw/zinc/41/54/11/817415411.db2.gz DVDLSLMQLUGNLG-OAHLLOKOSA-N 1 0 376.957 4.365 50 0 GIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000003562793 817485375 /nfs/dbraw/zinc/48/53/75/817485375.db2.gz ZGOWIEIGIILTLU-UHFFFAOYSA-N 1 0 389.952 4.284 50 0 GIAARO COc1ccc(CC[N@H+](C)CC(=O)c2c(C)[nH]c3cc(C)ccc32)cc1OC ZINC000004042841 817498911 /nfs/dbraw/zinc/49/89/11/817498911.db2.gz JGWRJDJPQXJSPB-UHFFFAOYSA-N 1 0 380.488 4.159 50 0 GIAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccccc1F)CC2 ZINC000004302356 817518885 /nfs/dbraw/zinc/51/88/85/817518885.db2.gz QYCGHCGVHINPBT-LEOXJPRUSA-N 1 0 383.463 4.423 50 0 GIAARO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(-n3ccnc3)cc1)O[C@H](C)C2 ZINC000007984344 817975768 /nfs/dbraw/zinc/97/57/68/817975768.db2.gz ITQOEDQDJZSWPF-IAGOWNOFSA-N 1 0 377.488 4.445 50 0 GIAARO CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000012003428 818136125 /nfs/dbraw/zinc/13/61/25/818136125.db2.gz JGOBFOUWFBDVAC-GOSISDBHSA-N 1 0 389.952 4.057 50 0 GIAARO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](O)c3cccnc3)CC2)cc1C ZINC000012307163 818153865 /nfs/dbraw/zinc/15/38/65/818153865.db2.gz CFJQNMYASLLQTB-HSZRJFAPSA-N 1 0 376.504 4.034 50 0 GIAARO COc1ccccc1C(=O)Nc1ccc2c(c1)C[N@H+](C1Cc3ccccc3C1)CC2 ZINC000012574441 818167432 /nfs/dbraw/zinc/16/74/32/818167432.db2.gz YYJYTZCGZYJLBA-UHFFFAOYSA-N 1 0 398.506 4.473 50 0 GIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CCc2ccc(F)cc2)C1 ZINC000012588602 818169084 /nfs/dbraw/zinc/16/90/84/818169084.db2.gz KUBUTOIOXLJEHF-JOCHJYFZSA-N 1 0 396.550 4.480 50 0 GIAARO CSCC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000012589691 818169309 /nfs/dbraw/zinc/16/93/09/818169309.db2.gz ZYNNUTJAGPXDSO-UHFFFAOYSA-N 1 0 388.621 4.384 50 0 GIAARO CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012752068 818180702 /nfs/dbraw/zinc/18/07/02/818180702.db2.gz GJKKVNBXLBVJHU-OAQYLSRUSA-N 1 0 375.516 4.337 50 0 GIAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CCc1ccc(F)cc1)C3 ZINC000014988818 818280596 /nfs/dbraw/zinc/28/05/96/818280596.db2.gz PYLWIDGZKRVBCO-KRWDZBQOSA-N 1 0 399.535 4.087 50 0 GIAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000019772143 818605353 /nfs/dbraw/zinc/60/53/53/818605353.db2.gz STJJMRGHVVVTAJ-GOSISDBHSA-N 1 0 375.472 4.493 50 0 GIAARO Cc1cccc([C@@](O)(c2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000020440651 818621211 /nfs/dbraw/zinc/62/12/11/818621211.db2.gz DGRSYBGFFBYEHK-UIOOFZCWSA-N 1 0 387.523 4.347 50 0 GIAARO CCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756594 818630648 /nfs/dbraw/zinc/63/06/48/818630648.db2.gz QLTPDCKWJYRDBA-BJKOFHAPSA-N 1 0 383.532 4.189 50 0 GIAARO CC(C)Cn1cc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c2ccccc2c1=O ZINC000020941533 818642470 /nfs/dbraw/zinc/64/24/70/818642470.db2.gz PVJLPGTYRRBNBC-HDICACEKSA-N 1 0 398.551 4.042 50 0 GIAARO O=C(NCc1ccc(F)cc1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000021174668 818661447 /nfs/dbraw/zinc/66/14/47/818661447.db2.gz RVZKRVBAXUEZGM-UHFFFAOYSA-N 1 0 389.902 4.191 50 0 GIAARO CC[NH+](CC)CCCn1c(C)c(C)c2c3nc(-c4cccc(C)c4)nn3cnc21 ZINC000021801519 818738647 /nfs/dbraw/zinc/73/86/47/818738647.db2.gz GGZYCDXVEVEDBW-UHFFFAOYSA-N 1 0 390.535 4.403 50 0 GIAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000023374930 818929742 /nfs/dbraw/zinc/92/97/42/818929742.db2.gz BCQHVDZSUJRRNI-XMMPIXPASA-N 1 0 395.566 4.087 50 0 GIAARO O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1C[NH+]1CCCC1 ZINC000024190308 819031424 /nfs/dbraw/zinc/03/14/24/819031424.db2.gz JTEOMQXUMYRSSE-UHFFFAOYSA-N 1 0 390.527 4.050 50 0 GIAARO Cc1cc(C)n(-c2ccccc2NC(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000040104886 821138218 /nfs/dbraw/zinc/13/82/18/821138218.db2.gz YKEXPUFPZLAPLR-UHFFFAOYSA-N 1 0 391.519 4.085 50 0 GIAARO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C ZINC000040112335 821140418 /nfs/dbraw/zinc/14/04/18/821140418.db2.gz CKTRRDJIEJNBFF-HNNXBMFYSA-N 1 0 381.520 4.139 50 0 GIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)s1 ZINC000043041609 821356129 /nfs/dbraw/zinc/35/61/29/821356129.db2.gz YKKJHCOJCQFIRW-GOSISDBHSA-N 1 0 394.544 4.400 50 0 GIAARO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)o1 ZINC000184252777 822603486 /nfs/dbraw/zinc/60/34/86/822603486.db2.gz PNRKAKSMYGRZNY-FQEVSTJZSA-N 1 0 379.435 4.074 50 0 GIAARO CC(C)Cc1cc(=O)[nH]c(-c2ccccc2C[N@H+](C)[C@H]2CCOC(C)(C)C2)n1 ZINC000048233988 822647238 /nfs/dbraw/zinc/64/72/38/822647238.db2.gz YANKGMMANXHMIK-IBGZPJMESA-N 1 0 383.536 4.025 50 0 GIAARO O=S1(=O)CCCN1c1cccc(C[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC000184959872 822718551 /nfs/dbraw/zinc/71/85/51/822718551.db2.gz IRMDXHOIWNECES-UHFFFAOYSA-N 1 0 384.545 4.043 50 0 GIAARO Cc1c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cccc1OCC(F)(F)F ZINC000175328035 822936397 /nfs/dbraw/zinc/93/63/97/822936397.db2.gz GALWXFJFBGKLMD-UHFFFAOYSA-N 1 0 399.457 4.465 50 0 GIAARO Cc1nnc(-c2ccccc2C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)o1 ZINC000125249794 823662317 /nfs/dbraw/zinc/66/23/17/823662317.db2.gz PFUKKDBTVMSBDQ-MRXNPFEDSA-N 1 0 390.487 4.000 50 0 GIAARO COCCN(C)c1ccc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000191351365 823675391 /nfs/dbraw/zinc/67/53/91/823675391.db2.gz SGOARMAUUVEKHC-FQEVSTJZSA-N 1 0 381.520 4.090 50 0 GIAARO O=C(C1CCCCC1)N1CCC([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC000169759107 823912602 /nfs/dbraw/zinc/91/26/02/823912602.db2.gz DRBFLAYZYQNKDP-UHFFFAOYSA-N 1 0 384.564 4.239 50 0 GIAARO CCCC(=O)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776735 823915656 /nfs/dbraw/zinc/91/56/56/823915656.db2.gz PNQWYUPRQGMDQR-OAQYLSRUSA-N 1 0 388.527 4.130 50 0 GIAARO Cc1cnc(C[C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1Cc1ccc(F)cc1 ZINC000575317729 823953577 /nfs/dbraw/zinc/95/35/77/823953577.db2.gz YZPRAGCBCKJGRO-FQEVSTJZSA-N 1 0 378.495 4.229 50 0 GIAARO Cc1cnc(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1Cc1ccc(F)cc1 ZINC000575317205 823953902 /nfs/dbraw/zinc/95/39/02/823953902.db2.gz DQUMNNZRTFLPLR-FQEVSTJZSA-N 1 0 378.495 4.229 50 0 GIAARO Cc1cnc(C[C@H]2CCC[N@H+](Cc3ccccn3)C2)n1Cc1ccc(F)cc1 ZINC000575317730 823954087 /nfs/dbraw/zinc/95/40/87/823954087.db2.gz YZPRAGCBCKJGRO-HXUWFJFHSA-N 1 0 378.495 4.229 50 0 GIAARO Cc1c[nH+]c(CC2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1CC1CC1 ZINC000575317437 823954131 /nfs/dbraw/zinc/95/41/31/823954131.db2.gz JUDRTCRHLXKEDM-UHFFFAOYSA-N 1 0 390.531 4.107 50 0 GIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](Cn2c(C)cnc2C2CCOCC2)C1 ZINC000575547604 823976503 /nfs/dbraw/zinc/97/65/03/823976503.db2.gz LQNHYLKUDDXGDY-HXUWFJFHSA-N 1 0 397.563 4.396 50 0 GIAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000575559426 823977658 /nfs/dbraw/zinc/97/76/58/823977658.db2.gz OVWNENWGHNLYAS-GOSISDBHSA-N 1 0 390.531 4.422 50 0 GIAARO Cc1cnccc1CNC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000095380153 230983217 /nfs/dbraw/zinc/98/32/17/230983217.db2.gz DNDGLPYPRZZFDO-UHFFFAOYSA-N 1 0 399.538 4.240 50 0 GIAARO Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CCC[N@@H+](C)CC4)cc2)cn1 ZINC000426361854 231208996 /nfs/dbraw/zinc/20/89/96/231208996.db2.gz XNZQKNKELFNKIM-UHFFFAOYSA-N 1 0 377.532 4.395 50 0 GIAARO CO[C@]12CC[N@H+](Cc3c(F)cccc3Cl)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426548597 231239864 /nfs/dbraw/zinc/23/98/64/231239864.db2.gz VBHGGKUPJVWBNG-PAXLWEDBSA-N 1 0 390.886 4.465 50 0 GIAARO COc1cc2[nH+]c(N3CCN(c4ccc(F)cc4)CC3)cc(C)c2c(OC)c1 ZINC000001215067 212229085 /nfs/dbraw/zinc/22/90/85/212229085.db2.gz SXJCMJHMRGKPTN-UHFFFAOYSA-N 1 0 381.451 4.026 50 0 GIAARO O=C(CC[NH+]1CCCCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000001053100 212210739 /nfs/dbraw/zinc/21/07/39/212210739.db2.gz WAIDUJRAAUWBJD-LJQANCHMSA-N 1 0 385.895 4.487 50 0 GIAARO Cc1nc2n(CC[NH+]3CCCCC3)c3ccccc3n2c1C(=O)c1cccs1 ZINC000000727441 212178131 /nfs/dbraw/zinc/17/81/31/212178131.db2.gz GNWBCAJWCKVUGO-UHFFFAOYSA-N 1 0 392.528 4.376 50 0 GIAARO C[N@@H+]1CCC[C@@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1 ZINC000000601229 212164737 /nfs/dbraw/zinc/16/47/37/212164737.db2.gz MBUVEWMHONZEQD-GOSISDBHSA-N 1 0 381.907 4.298 50 0 fda GIAARO CC(C)c1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020479071 212151127 /nfs/dbraw/zinc/15/11/27/212151127.db2.gz NVOSJOANUOFMIW-UHFFFAOYSA-N 1 0 376.500 4.234 50 0 GIAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N2CCCCC2)C1=O ZINC000002006984 212144203 /nfs/dbraw/zinc/14/42/03/212144203.db2.gz DBAAUQOYQNYJLY-VWLOTQADSA-N 1 0 391.559 4.452 50 0 GIAARO Cc1cc(N2CCC(CNC(=O)Nc3ccccc3C(F)(F)F)CC2)cc[nH+]1 ZINC000253401260 212136264 /nfs/dbraw/zinc/13/62/64/212136264.db2.gz MQTZQMSDBDZNMR-UHFFFAOYSA-N 1 0 392.425 4.447 50 0 GIAARO CC(C)c1nc2sc3c(ncnc3NCCCC[NH3+])c2c2c1COC(C)(C)C2 ZINC000002409685 220532087 /nfs/dbraw/zinc/53/20/87/220532087.db2.gz YDJVNLKDMFFAFX-UHFFFAOYSA-N 1 0 399.564 4.365 50 0 GIAARO CC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(C)cc3s2)cc1 ZINC000004359526 220711420 /nfs/dbraw/zinc/71/14/20/220711420.db2.gz YKEXLUWWMFMEJZ-UHFFFAOYSA-N 1 0 395.528 4.406 50 0 GIAARO CCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2OC)c(OCC)c1 ZINC000005027788 220814399 /nfs/dbraw/zinc/81/43/99/220814399.db2.gz HHTLYEDULBHFRD-UHFFFAOYSA-N 1 0 386.492 4.001 50 0 GIAARO O=C(Nc1ccc(Br)cc1F)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000006877167 220973966 /nfs/dbraw/zinc/97/39/66/220973966.db2.gz HKJRCSOEXCIXSB-UHFFFAOYSA-N 1 0 398.320 4.318 50 0 GIAARO COc1cc2ccccc2cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000006881574 220975822 /nfs/dbraw/zinc/97/58/22/220975822.db2.gz YSPIMGALIUQWRC-IBGZPJMESA-N 1 0 380.513 4.477 50 0 GIAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC000007718596 221007255 /nfs/dbraw/zinc/00/72/55/221007255.db2.gz AMDHCKRBASEHCI-LJQANCHMSA-N 1 0 395.455 4.161 50 0 GIAARO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c1 ZINC000007583228 221002535 /nfs/dbraw/zinc/00/25/35/221002535.db2.gz MXIDQKPJWQYBMX-JOCHJYFZSA-N 1 0 393.531 4.117 50 0 GIAARO Cc1csc2nc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)cc(=O)n12 ZINC000008071999 221025926 /nfs/dbraw/zinc/02/59/26/221025926.db2.gz KKQJNPAGFAZRDV-UHFFFAOYSA-N 1 0 396.541 4.054 50 0 GIAARO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CCc2ccccc21 ZINC000008261847 221033469 /nfs/dbraw/zinc/03/34/69/221033469.db2.gz CDHUHVHJNKEVBW-KRWDZBQOSA-N 1 0 377.513 4.065 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008326286 221036697 /nfs/dbraw/zinc/03/66/97/221036697.db2.gz RTRWCOVLLKTPBU-KRWDZBQOSA-N 1 0 381.875 4.317 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008337051 221037806 /nfs/dbraw/zinc/03/78/06/221037806.db2.gz QFFWVALKZGDQNY-OAHLLOKOSA-N 1 0 384.303 4.442 50 0 GIAARO Cc1ccc(-c2nnc([C@@H](C)NCc3ccccc3C[NH+]3CCCC3)o2)cc1 ZINC000008340338 221038408 /nfs/dbraw/zinc/03/84/08/221038408.db2.gz CJDWQYLXLHYLRS-GOSISDBHSA-N 1 0 376.504 4.492 50 0 GIAARO O=c1c(Cl)c(NCc2ccccc2C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000008395419 221039930 /nfs/dbraw/zinc/03/99/30/221039930.db2.gz FJENGXBTUANFGI-UHFFFAOYSA-N 1 0 394.906 4.094 50 0 GIAARO c1ccc(C[N@@H+]2CC[C@@H](Nc3nc(-c4cccnc4)nc4ccccc43)C2)cc1 ZINC000007980991 221018106 /nfs/dbraw/zinc/01/81/06/221018106.db2.gz OKJPMYNMTKATPR-HXUWFJFHSA-N 1 0 381.483 4.378 50 0 GIAARO CC(C)(C)OC(=O)Nc1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000008851256 221061226 /nfs/dbraw/zinc/06/12/26/221061226.db2.gz LHSLSVRJEORGIC-UHFFFAOYSA-N 1 0 375.513 4.073 50 0 GIAARO COC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008714049 221051475 /nfs/dbraw/zinc/05/14/75/221051475.db2.gz GWSIKCMWRRTOPR-HJPURHCSSA-N 1 0 382.504 4.436 50 0 GIAARO O=C([C@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1)N1CCCC1 ZINC000008734374 221052644 /nfs/dbraw/zinc/05/26/44/221052644.db2.gz SSXHACWWYFQKSW-XMMPIXPASA-N 1 0 391.559 4.126 50 0 GIAARO COc1ccc([C@@H](CNC(=O)Cc2coc3c2ccc(C)c3C)[NH+](C)C)cc1 ZINC000009457635 221081774 /nfs/dbraw/zinc/08/17/74/221081774.db2.gz ZPNCTBMEDWFYIJ-OAQYLSRUSA-N 1 0 380.488 4.020 50 0 GIAARO COc1ccc([C@H](CNC(=O)Cc2coc3c2ccc(C)c3C)[NH+](C)C)cc1 ZINC000009457632 221082060 /nfs/dbraw/zinc/08/20/60/221082060.db2.gz ZPNCTBMEDWFYIJ-NRFANRHFSA-N 1 0 380.488 4.020 50 0 GIAARO COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000008986010 221067376 /nfs/dbraw/zinc/06/73/76/221067376.db2.gz OCFBFJCVOCDJKM-OAQYLSRUSA-N 1 0 386.923 4.235 50 0 GIAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1cccc(Cl)c1 ZINC000010314090 221099925 /nfs/dbraw/zinc/09/99/25/221099925.db2.gz VIPBLMKKUQDYKM-UHFFFAOYSA-N 1 0 385.895 4.304 50 0 GIAARO O=C(/C=C/c1ccco1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000011710318 221123567 /nfs/dbraw/zinc/12/35/67/221123567.db2.gz RIBVJLBTVLRPDZ-UWHSVAFCSA-N 1 0 378.516 4.240 50 0 GIAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000011753520 221123705 /nfs/dbraw/zinc/12/37/05/221123705.db2.gz LKOXTWOPJYOIPC-IBGZPJMESA-N 1 0 394.515 4.192 50 0 GIAARO CCCn1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c1C ZINC000011764260 221125207 /nfs/dbraw/zinc/12/52/07/221125207.db2.gz DASNEJJBJISDCW-DEOSSOPVSA-N 1 0 394.563 4.038 50 0 GIAARO CSCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000011821672 221128825 /nfs/dbraw/zinc/12/88/25/221128825.db2.gz WYWXUQUUNZGFMC-IBGZPJMESA-N 1 0 385.533 4.420 50 0 GIAARO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cc(Cl)c1OC ZINC000011821711 221129272 /nfs/dbraw/zinc/12/92/72/221129272.db2.gz MRRMYFIZPPUCGX-QGZVFWFLSA-N 1 0 398.894 4.105 50 0 GIAARO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc1CO ZINC000011839146 221130424 /nfs/dbraw/zinc/13/04/24/221130424.db2.gz WQMXFSCHRFGFKO-IBGZPJMESA-N 1 0 399.556 4.394 50 0 GIAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@H]([NH2+]Cc2cccn2-c2ncccn2)C1 ZINC000011839799 221130525 /nfs/dbraw/zinc/13/05/25/221130525.db2.gz TTXNZHAUUOBNAL-OAQYLSRUSA-N 1 0 398.514 4.256 50 0 GIAARO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)c1OC ZINC000011840180 221130961 /nfs/dbraw/zinc/13/09/61/221130961.db2.gz BGGRXSAZAYGJNM-IBGZPJMESA-N 1 0 388.552 4.116 50 0 GIAARO C=Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1 ZINC000011843486 221131698 /nfs/dbraw/zinc/13/16/98/221131698.db2.gz WIYYGUPYRZGVHE-FQEVSTJZSA-N 1 0 380.507 4.495 50 0 GIAARO CCOc1ccc2ccccc2c1C(=O)NC[C@H](c1cccn1C)[NH+]1CCCC1 ZINC000011845574 221132789 /nfs/dbraw/zinc/13/27/89/221132789.db2.gz AATOOZTTYOTYFY-OAQYLSRUSA-N 1 0 391.515 4.144 50 0 GIAARO Cc1ccc(-n2cc([C@@H]3C[C@H]4CN(c5ccccc5)C(=O)[C@]45CCC[N@H+]35)cn2)cc1 ZINC000011874136 221133006 /nfs/dbraw/zinc/13/30/06/221133006.db2.gz LTBFAEFQAIFDLP-OPHFCASCSA-N 1 0 398.510 4.123 50 0 GIAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)Nc1ccccc1F ZINC000011878930 221135380 /nfs/dbraw/zinc/13/53/80/221135380.db2.gz FCFCGVADLOLTDQ-QGZVFWFLSA-N 1 0 398.478 4.228 50 0 GIAARO CCOc1cccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000011880044 221134963 /nfs/dbraw/zinc/13/49/63/221134963.db2.gz JDQQEWBUQMZVGG-RSEQLOHWSA-N 1 0 390.527 4.332 50 0 GIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000011879384 221135059 /nfs/dbraw/zinc/13/50/59/221135059.db2.gz OTTXETMOLLOJCM-UHFFFAOYSA-N 1 0 385.504 4.204 50 0 GIAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000011662250 221118373 /nfs/dbraw/zinc/11/83/73/221118373.db2.gz FZGHPMPQRAWOLJ-QGZVFWFLSA-N 1 0 376.422 4.142 50 0 GIAARO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000011663121 221118609 /nfs/dbraw/zinc/11/86/09/221118609.db2.gz OHOJRLXVORYGIX-OAQYLSRUSA-N 1 0 392.547 4.448 50 0 GIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](C2CCSCC2)CC1 ZINC000011663175 221120562 /nfs/dbraw/zinc/12/05/62/221120562.db2.gz BFFCGSAUQSWWGR-UHFFFAOYSA-N 1 0 387.574 4.356 50 0 GIAARO COc1ccc(-c2oc3ccccc3c(=O)c2OCC[NH+]2CCCCC2)cc1 ZINC000012000406 221142046 /nfs/dbraw/zinc/14/20/46/221142046.db2.gz NZWWOEFLANLHRB-UHFFFAOYSA-N 1 0 379.456 4.333 50 0 GIAARO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc4ccccc4c3)CC2)O1 ZINC000012039649 221144391 /nfs/dbraw/zinc/14/43/91/221144391.db2.gz XPEREOVGROVNOT-QFIPXVFZSA-N 1 0 380.532 4.126 50 0 GIAARO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000012072381 221146944 /nfs/dbraw/zinc/14/69/44/221146944.db2.gz BZCYDEZZYZCONZ-PQCQUMGKSA-N 1 0 383.488 4.021 50 0 GIAARO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000012072380 221146961 /nfs/dbraw/zinc/14/69/61/221146961.db2.gz BZCYDEZZYZCONZ-LNLBBOMNSA-N 1 0 383.488 4.021 50 0 GIAARO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3cccc(F)c3)CC2)cc1C ZINC000012100335 221150194 /nfs/dbraw/zinc/15/01/94/221150194.db2.gz ZQRNYVUYYFBZDT-FQEVSTJZSA-N 1 0 382.479 4.384 50 0 GIAARO CC(=O)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1 ZINC000012297496 221175635 /nfs/dbraw/zinc/17/56/35/221175635.db2.gz DIHGCSUEAOHHFV-FQEVSTJZSA-N 1 0 396.506 4.055 50 0 GIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)CC2=CCCCC2)cc1 ZINC000012297681 221175839 /nfs/dbraw/zinc/17/58/39/221175839.db2.gz MXDRCJMNZGXUGC-UHFFFAOYSA-N 1 0 384.564 4.299 50 0 GIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000012299135 221175937 /nfs/dbraw/zinc/17/59/37/221175937.db2.gz RVNSJRTWUNFISB-LJQANCHMSA-N 1 0 399.498 4.409 50 0 GIAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000012297389 221176401 /nfs/dbraw/zinc/17/64/01/221176401.db2.gz BDWUKLAIWPKJAF-SFHVURJKSA-N 1 0 381.472 4.297 50 0 GIAARO COc1cccc(CC[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000012302440 221178394 /nfs/dbraw/zinc/17/83/94/221178394.db2.gz CVUWZTGEVUPHTG-JOCHJYFZSA-N 1 0 393.575 4.399 50 0 GIAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012316108 221181110 /nfs/dbraw/zinc/18/11/10/221181110.db2.gz XLHOVUPUKPHGTF-VMPITWQZSA-N 1 0 386.499 4.441 50 0 GIAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000012196338 221166622 /nfs/dbraw/zinc/16/66/22/221166622.db2.gz CFMDZFZDRBGXEL-UHFFFAOYSA-N 1 0 377.444 4.318 50 0 GIAARO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccc3c2OCO3)cc1C ZINC000012209052 221167664 /nfs/dbraw/zinc/16/76/64/221167664.db2.gz FUUQTGVNNACHBW-FQEVSTJZSA-N 1 0 375.472 4.385 50 0 GIAARO C[C@H](CNC(=O)c1ccncc1)Oc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000012209757 221168033 /nfs/dbraw/zinc/16/80/33/221168033.db2.gz HMVHUENKPHXZEX-GOSISDBHSA-N 1 0 381.520 4.043 50 0 GIAARO CN(C)C(=O)c1ccc(N2CCC([NH2+]CCC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cc1 ZINC000012242953 221172647 /nfs/dbraw/zinc/17/26/47/221172647.db2.gz INPIKLRPBYSNCD-REWPJTCUSA-N 1 0 395.591 4.329 50 0 GIAARO O=C(Nc1cccc(N2CCC([NH2+]Cc3cccc(F)c3F)CC2)c1)C1CC1 ZINC000012247462 221173284 /nfs/dbraw/zinc/17/32/84/221173284.db2.gz MPQHDZZUGUQMEE-UHFFFAOYSA-N 1 0 385.458 4.072 50 0 GIAARO Cc1cc(C(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c(C)o1 ZINC000012430766 221191213 /nfs/dbraw/zinc/19/12/13/221191213.db2.gz HKRCJINMHFMJTG-JOCHJYFZSA-N 1 0 388.458 4.303 50 0 GIAARO COc1ccccc1-n1cc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)cn1 ZINC000012437750 221193345 /nfs/dbraw/zinc/19/33/45/221193345.db2.gz DOLWSHHNLNZHSD-KRWDZBQOSA-N 1 0 387.487 4.226 50 0 GIAARO Cc1ncccc1C(=O)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012442878 221196009 /nfs/dbraw/zinc/19/60/09/221196009.db2.gz JAHFRIYUIYYGDL-GOSISDBHSA-N 1 0 399.485 4.043 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000012507408 221200331 /nfs/dbraw/zinc/20/03/31/221200331.db2.gz AOONEWQXINPGSK-UHFFFAOYSA-N 1 0 397.515 4.310 50 0 GIAARO COc1cc(C[N@@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1 ZINC000012576521 221208316 /nfs/dbraw/zinc/20/83/16/221208316.db2.gz ZOEUDFXNAGZEHO-QFIPXVFZSA-N 1 0 389.923 4.174 50 0 GIAARO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012585780 221210029 /nfs/dbraw/zinc/21/00/29/221210029.db2.gz CMWCJOFZPGFDMT-GOSISDBHSA-N 1 0 375.406 4.356 50 0 GIAARO Cc1c(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)cnn1C ZINC000012579389 221210553 /nfs/dbraw/zinc/21/05/53/221210553.db2.gz NBBQEKZYSLSPNJ-UHFFFAOYSA-N 1 0 389.478 4.319 50 0 GIAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)cc1OC ZINC000012595791 221212486 /nfs/dbraw/zinc/21/24/86/221212486.db2.gz AULOHPXZIIULCN-YIEWGUIWSA-N 1 0 383.532 4.423 50 0 GIAARO O=C(CCC1CC[NH+](C2Cc3ccccc3C2)CC1)N1CCc2ccccc2C1 ZINC000012594257 221213310 /nfs/dbraw/zinc/21/33/10/221213310.db2.gz XEYGFIRAKQAOAT-UHFFFAOYSA-N 1 0 388.555 4.231 50 0 GIAARO C[C@@H](c1ccc2c(c1)OCCO2)[N@H+](C)Cc1cn(C)nc1-c1ccccc1F ZINC000012714282 221220462 /nfs/dbraw/zinc/22/04/62/221220462.db2.gz GSQVNTFDHPDPBL-HNNXBMFYSA-N 1 0 381.451 4.190 50 0 GIAARO O=C(NCCSc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000012727487 221221223 /nfs/dbraw/zinc/22/12/23/221221223.db2.gz WPEVAERCBFTEPL-UHFFFAOYSA-N 1 0 383.561 4.264 50 0 GIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000012718055 221221795 /nfs/dbraw/zinc/22/17/95/221221795.db2.gz IZQIZGIPGSSZNP-IBGZPJMESA-N 1 0 396.506 4.337 50 0 GIAARO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012820876 221237464 /nfs/dbraw/zinc/23/74/64/221237464.db2.gz AQABXDJPRGQDSI-KRWDZBQOSA-N 1 0 386.923 4.197 50 0 GIAARO CC1=C2C[C@@H]3[C@H](C[N@@H+](C)[C@@H](C)[C@@H](O)c4ccccc4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012866651 221240208 /nfs/dbraw/zinc/24/02/08/221240208.db2.gz KBTBNOMZBUOFBK-NSRGHVJWSA-N 1 0 397.559 4.499 50 0 GIAARO Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc12 ZINC000012948328 221250009 /nfs/dbraw/zinc/25/00/09/221250009.db2.gz CDOZTBWHGRHUPH-UHFFFAOYSA-N 1 0 384.549 4.054 50 0 GIAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(C)cc32)CC1 ZINC000013321677 221265373 /nfs/dbraw/zinc/26/53/73/221265373.db2.gz QAJKTWAQHQGOTN-UHFFFAOYSA-N 1 0 388.515 4.163 50 0 GIAARO C[NH+]1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc32)CC1 ZINC000013014383 221258427 /nfs/dbraw/zinc/25/84/27/221258427.db2.gz LVMIKEYCHKECKB-UHFFFAOYSA-N 1 0 387.512 4.172 50 0 GIAARO CC(C)c1ccc(NC(=S)N2CCC[N@H+](CCc3ccncc3)CC2)cc1 ZINC000013692533 221282515 /nfs/dbraw/zinc/28/25/15/221282515.db2.gz FSNBJBAIGNLKGG-UHFFFAOYSA-N 1 0 382.577 4.152 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013728019 221285381 /nfs/dbraw/zinc/28/53/81/221285381.db2.gz GTQZLFXYCXUAHB-UHFFFAOYSA-N 1 0 395.934 4.445 50 0 GIAARO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1 ZINC000014123955 221300215 /nfs/dbraw/zinc/30/02/15/221300215.db2.gz MISIJWMSDPJDPA-INIZCTEOSA-N 1 0 376.456 4.290 50 0 GIAARO CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014969706 221321231 /nfs/dbraw/zinc/32/12/31/221321231.db2.gz WIUSSBJJGYJQRK-FQEVSTJZSA-N 1 0 379.479 4.086 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C(=O)c4ccco4)C3)C2)cc1 ZINC000014961632 221321787 /nfs/dbraw/zinc/32/17/87/221321787.db2.gz UBOBQBHCXMYZRH-DEOSSOPVSA-N 1 0 394.515 4.100 50 0 GIAARO CC1(C)CCC[C@@H]([NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)C1 ZINC000014974640 221323333 /nfs/dbraw/zinc/32/33/33/221323333.db2.gz VLUISJZHPNHDDW-LJQANCHMSA-N 1 0 381.524 4.136 50 0 GIAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](C/C(C)=C/c3ccccc3)CC2)C1=O ZINC000014753134 221315980 /nfs/dbraw/zinc/31/59/80/221315980.db2.gz CKGKTAVXEQWKNF-LVZFUZTISA-N 1 0 397.563 4.255 50 0 GIAARO CC(C)(C)CN1CCC[C@@]2(CC[N@H+](Cc3coc(-c4ccccc4)n3)C2)C1=O ZINC000015080651 221333200 /nfs/dbraw/zinc/33/32/00/221333200.db2.gz LJJSEXLDOYTIHI-QHCPKHFHSA-N 1 0 381.520 4.202 50 0 GIAARO CCC[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000015301272 221333945 /nfs/dbraw/zinc/33/39/45/221333945.db2.gz KTKPLEQZKVNFIT-NHCUHLMSSA-N 1 0 394.515 4.252 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977755 221323927 /nfs/dbraw/zinc/32/39/27/221323927.db2.gz ITZLAMGWMWFIRL-LJQANCHMSA-N 1 0 388.502 4.360 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2cc(F)ccc2-n2cccn2)cnn1-c1cccc(F)c1 ZINC000015064942 221327646 /nfs/dbraw/zinc/32/76/46/221327646.db2.gz AZYCYOSUCXNEHK-HNNXBMFYSA-N 1 0 393.441 4.495 50 0 GIAARO Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3)nc1C ZINC000015062907 221328277 /nfs/dbraw/zinc/32/82/77/221328277.db2.gz WZMMMDQZBLASAD-QHCPKHFHSA-N 1 0 382.527 4.029 50 0 GIAARO COCc1ccc(C[NH+]2CCC(CCC(=O)Nc3cccc(OC)c3)CC2)o1 ZINC000015073315 221331727 /nfs/dbraw/zinc/33/17/27/221331727.db2.gz LWCHMJWMKJEOCM-UHFFFAOYSA-N 1 0 386.492 4.066 50 0 GIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(N2CCc3ccccc32)s1 ZINC000015732271 221342664 /nfs/dbraw/zinc/34/26/64/221342664.db2.gz URURBKSYIAZIEA-UHFFFAOYSA-N 1 0 383.561 4.438 50 0 GIAARO Cc1cccc(-n2ncc(C(=O)Nc3ccccc3F)c2C2CC[NH2+]CC2)c1 ZINC000015772756 221344070 /nfs/dbraw/zinc/34/40/70/221344070.db2.gz TWOUKOMRQZERRF-UHFFFAOYSA-N 1 0 378.451 4.039 50 0 GIAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)no2)cc1 ZINC000015859713 221348968 /nfs/dbraw/zinc/34/89/68/221348968.db2.gz AXGZBSLANRJIRZ-OAQYLSRUSA-N 1 0 375.472 4.217 50 0 GIAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccccc1C ZINC000016362757 221362685 /nfs/dbraw/zinc/36/26/85/221362685.db2.gz BQONMZNBOZIJLT-QFIPXVFZSA-N 1 0 377.484 4.406 50 0 GIAARO C[NH+]1CCC(NC(=O)c2sc3cccc(Br)c3c2Cl)CC1 ZINC000016602786 221367051 /nfs/dbraw/zinc/36/70/51/221367051.db2.gz BDNNFZBJEMIXDO-UHFFFAOYSA-N 1 0 387.730 4.141 50 0 GIAARO CCOc1ccccc1NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=[NH2+] ZINC000017077568 221377750 /nfs/dbraw/zinc/37/77/50/221377750.db2.gz JQXOEKWTDNHUID-UHFFFAOYSA-N 1 0 379.460 4.409 50 0 GIAARO Cc1n[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)c1Cl ZINC000426535593 533669776 /nfs/dbraw/zinc/66/97/76/533669776.db2.gz BTHJTNLVMNQXCO-NRFANRHFSA-N 1 0 392.975 4.156 50 0 GIAARO c1ccc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000058170526 136154842 /nfs/dbraw/zinc/15/48/42/136154842.db2.gz IBCGJOFTHPWKJU-UHFFFAOYSA-N 1 0 381.483 4.014 50 0 GIAARO Cc1cc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)nc(N)[nH+]1 ZINC000067673800 136164768 /nfs/dbraw/zinc/16/47/68/136164768.db2.gz CWUKIHLMEJPODQ-UHFFFAOYSA-N 1 0 397.482 4.098 50 0 GIAARO O=C1[C@@H](Nc2cc[nH+]c3ccccc23)CCCN1c1ccc(OC(F)F)cc1 ZINC000072301697 136167885 /nfs/dbraw/zinc/16/78/85/136167885.db2.gz VRZOEDJOSOJPRY-IBGZPJMESA-N 1 0 383.398 4.444 50 0 GIAARO CN(C)c1ccc(N2CCC(Nc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000095990536 136182967 /nfs/dbraw/zinc/18/29/67/136182967.db2.gz QXQVQBVPZYTCAT-UHFFFAOYSA-N 1 0 378.564 4.429 50 0 GIAARO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C)CC2)cc1 ZINC000001447705 136193321 /nfs/dbraw/zinc/19/33/21/136193321.db2.gz OKIPZGMIHXBQFB-UHFFFAOYSA-N 1 0 383.499 4.148 50 0 GIAARO CC(=O)N1c2ccccc2C(C[NH+]2CCN(c3ccccc3)CC2)=CC1(C)C ZINC000169681390 136197459 /nfs/dbraw/zinc/19/74/59/136197459.db2.gz ZXPFHRGMBTWGAX-UHFFFAOYSA-N 1 0 375.516 4.037 50 0 GIAARO C[NH+]1C(C)(C)CC(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1(C)C ZINC000022350302 221558083 /nfs/dbraw/zinc/55/80/83/221558083.db2.gz OAXKNISUIHRNEC-UHFFFAOYSA-N 1 0 375.900 4.376 50 0 GIAARO COc1ccc([C@@]2(CC[NH2+]Cc3ccc4c(c3)OCO4)CCOC(C)(C)C2)cc1 ZINC000032124373 221720338 /nfs/dbraw/zinc/72/03/38/221720338.db2.gz PMHNCLPUURWNGN-DEOSSOPVSA-N 1 0 397.515 4.431 50 0 GIAARO CC(C)Cc1ccc(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000032952010 221756315 /nfs/dbraw/zinc/75/63/15/221756315.db2.gz VVDDPFFMSISUOH-LJQANCHMSA-N 1 0 392.609 4.018 50 0 GIAARO Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CC[NH+](CC(C)C)CC2)n1 ZINC000037554387 221873024 /nfs/dbraw/zinc/87/30/24/221873024.db2.gz VVBCUVAOLGNVTI-UHFFFAOYSA-N 1 0 391.559 4.424 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2nnc(C3CC3)s2)C1 ZINC000040119128 221908021 /nfs/dbraw/zinc/90/80/21/221908021.db2.gz CAZKFHAMSCAPJM-HUUCEWRRSA-N 1 0 399.564 4.215 50 0 GIAARO COc1cc(CNCCC[NH+](C)C)ccc1OCc1c(F)cccc1Cl ZINC000057398563 222031099 /nfs/dbraw/zinc/03/10/99/222031099.db2.gz QUXALHGSPIECQV-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000057435582 222034007 /nfs/dbraw/zinc/03/40/07/222034007.db2.gz HCJAWUHXGKCRCD-MRXNPFEDSA-N 1 0 376.456 4.306 50 0 GIAARO COc1ccc([C@@H]([NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)C(C)C)cc1 ZINC000049586927 222001004 /nfs/dbraw/zinc/00/10/04/222001004.db2.gz RPXJCUZBEYFRIX-IBGZPJMESA-N 1 0 398.425 4.166 50 0 GIAARO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000054260521 222013957 /nfs/dbraw/zinc/01/39/57/222013957.db2.gz YAFFHMFPCAPMJM-JOCHJYFZSA-N 1 0 377.488 4.236 50 0 GIAARO CC(C)c1ccccc1NC(=O)CCC(=O)N1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000055182562 222016051 /nfs/dbraw/zinc/01/60/51/222016051.db2.gz ACIGYDCCGAYVEK-IBGZPJMESA-N 1 0 399.579 4.252 50 0 GIAARO O=C1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCN1Cc1ccc(F)cc1 ZINC000055307520 222019963 /nfs/dbraw/zinc/01/99/63/222019963.db2.gz SOCFYBYBXGRBJV-UHFFFAOYSA-N 1 0 380.385 4.079 50 0 GIAARO Cn1c(CC2CC[NH2+]CC2)nnc1SC1c2ccccc2-c2ccccc21 ZINC000055369875 222020267 /nfs/dbraw/zinc/02/02/67/222020267.db2.gz KDHZYORIGCSKMK-UHFFFAOYSA-N 1 0 376.529 4.219 50 0 GIAARO CCC[NH+]1CCC(CNC(=O)c2ccccc2SCc2cscn2)CC1 ZINC000058158920 222041433 /nfs/dbraw/zinc/04/14/33/222041433.db2.gz XXWJVAFFXMCBJS-UHFFFAOYSA-N 1 0 389.590 4.287 50 0 GIAARO O=C(Nc1cccc(COCc2ccco2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058280825 222047456 /nfs/dbraw/zinc/04/74/56/222047456.db2.gz LLERSDBTSMMLNG-HXUWFJFHSA-N 1 0 383.492 4.089 50 0 GIAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000058433850 222053384 /nfs/dbraw/zinc/05/33/84/222053384.db2.gz XAHSWUCOAKKQQI-CQSZACIVSA-N 1 0 399.398 4.166 50 0 GIAARO COc1ccc(Oc2ncccc2NC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000061552944 222061801 /nfs/dbraw/zinc/06/18/01/222061801.db2.gz KXWMRRAQNAFLSD-UHFFFAOYSA-N 1 0 398.507 4.270 50 0 GIAARO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000064590878 222075023 /nfs/dbraw/zinc/07/50/23/222075023.db2.gz KVJILDHKFPMZOA-UHFFFAOYSA-N 1 0 399.494 4.214 50 0 GIAARO CCc1nc(-c2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)cs1 ZINC000064677434 222079171 /nfs/dbraw/zinc/07/91/71/222079171.db2.gz ANFQPBIQGCXKBJ-UHFFFAOYSA-N 1 0 383.561 4.463 50 0 GIAARO COc1ccccc1[C@@H]1CC(c2ccccc2O)=NC2(CC[NH+](C(C)C)CC2)N1 ZINC000065298600 222121623 /nfs/dbraw/zinc/12/16/23/222121623.db2.gz YVFDRAHXZJGLNZ-NRFANRHFSA-N 1 0 393.531 4.125 50 0 GIAARO Cc1noc(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000065424458 222129977 /nfs/dbraw/zinc/12/99/77/222129977.db2.gz RKULBUFROWKALY-HXUWFJFHSA-N 1 0 376.460 4.276 50 0 GIAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067786321 222158990 /nfs/dbraw/zinc/15/89/90/222158990.db2.gz HTSVUYBLLFRESJ-OPAMFIHVSA-N 1 0 388.515 4.002 50 0 GIAARO Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccc(C)c2)C3)s1 ZINC000067805992 222161182 /nfs/dbraw/zinc/16/11/82/222161182.db2.gz UWUDXUYTSUMFSX-JOCHJYFZSA-N 1 0 383.561 4.197 50 0 GIAARO Fc1ccc(N2CC[C@@H](C[NH2+]Cc3csc(-c4ccco4)n3)C2)cc1F ZINC000069068721 222172223 /nfs/dbraw/zinc/17/22/23/222172223.db2.gz GPWBAWBDXKNLEM-ZDUSSCGKSA-N 1 0 375.444 4.297 50 0 GIAARO CNc1nc(N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cc(C)[nH+]1 ZINC000071405613 222183213 /nfs/dbraw/zinc/18/32/13/222183213.db2.gz DIFTXGBLFRZTTH-SFHVURJKSA-N 1 0 386.499 4.178 50 0 GIAARO Cc1[nH]c2c(cc(C)cc2CNC(=O)C2CC[NH+](Cc3ccco3)CC2)c1C ZINC000071639637 222186025 /nfs/dbraw/zinc/18/60/25/222186025.db2.gz YFJBFIMIHQRUFB-UHFFFAOYSA-N 1 0 379.504 4.215 50 0 GIAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cc1O ZINC000071730303 222188594 /nfs/dbraw/zinc/18/85/94/222188594.db2.gz QMKFWODLGIXDQL-NRFANRHFSA-N 1 0 384.495 4.212 50 0 GIAARO OCCOc1ccccc1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000071762495 222193759 /nfs/dbraw/zinc/19/37/59/222193759.db2.gz QWRBOXSXFVGNBW-QGZVFWFLSA-N 1 0 375.459 4.181 50 0 GIAARO COCc1ncc(C[N@@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071759201 222194704 /nfs/dbraw/zinc/19/47/04/222194704.db2.gz HBGVYJZKBLXLQJ-QGZVFWFLSA-N 1 0 393.453 4.487 50 0 GIAARO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000071769278 222196374 /nfs/dbraw/zinc/19/63/74/222196374.db2.gz RSXFNAUIXGOMCW-OAQYLSRUSA-N 1 0 382.479 4.306 50 0 GIAARO Cc1noc(C)c1C[NH+]1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890585 222199923 /nfs/dbraw/zinc/19/99/23/222199923.db2.gz QOSLJOPJEUQTFH-SFHVURJKSA-N 1 0 382.439 4.250 50 0 GIAARO COc1ccc(-c2nnc(C[N@H+](CCCO)[C@@H]3CCCc4ccccc43)o2)cc1 ZINC000072308765 222223133 /nfs/dbraw/zinc/22/31/33/222223133.db2.gz AQIZBZKHEKKKKF-OAQYLSRUSA-N 1 0 393.487 4.007 50 0 GIAARO C[NH+](C)[C@@H]1CCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000072478999 222267160 /nfs/dbraw/zinc/26/71/60/222267160.db2.gz CUUQKTPVESVAMQ-LJQANCHMSA-N 1 0 398.913 4.468 50 0 GIAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000072410755 222255635 /nfs/dbraw/zinc/25/56/35/222255635.db2.gz MMLKZEXUTIUWKX-JOCHJYFZSA-N 1 0 387.527 4.499 50 0 GIAARO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+]2CCC[C@@H](O)C2)cc1OC ZINC000072407859 222256101 /nfs/dbraw/zinc/25/61/01/222256101.db2.gz MHCQDKFDEIQXLU-HXUWFJFHSA-N 1 0 392.499 4.184 50 0 GIAARO Cc1cccc(-n2cc(C[N@@H+](C)CC3(CO)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000072418068 222257980 /nfs/dbraw/zinc/25/79/80/222257980.db2.gz PEXJHGFOBNQTKI-UHFFFAOYSA-N 1 0 379.479 4.191 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000072436298 222261518 /nfs/dbraw/zinc/26/15/18/222261518.db2.gz OMAUPCNWWKFXJR-OAHLLOKOSA-N 1 0 398.551 4.493 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000072454284 222262342 /nfs/dbraw/zinc/26/23/42/222262342.db2.gz UPAIBZRZZSJIRF-HXUWFJFHSA-N 1 0 395.478 4.298 50 0 GIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CC[NH+](C)CC2)c(C)s1 ZINC000072468249 222263887 /nfs/dbraw/zinc/26/38/87/222263887.db2.gz AIEGKGHUYFBDNJ-UHFFFAOYSA-N 1 0 384.524 4.104 50 0 GIAARO Clc1ccccc1C1(c2ccnc(NCc3ccccc3)n2)CC[NH2+]CC1 ZINC000072477559 222264622 /nfs/dbraw/zinc/26/46/22/222264622.db2.gz VYDGRDBDWDPMJK-UHFFFAOYSA-N 1 0 378.907 4.412 50 0 GIAARO Cn1cc(C[NH+]2CCC(Oc3cccnc3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000076835786 222272191 /nfs/dbraw/zinc/27/21/91/222272191.db2.gz GFNAJEATBUDVIK-UHFFFAOYSA-N 1 0 382.895 4.179 50 0 GIAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1cc(-c2ccccc2)on1 ZINC000077437642 222280424 /nfs/dbraw/zinc/28/04/24/222280424.db2.gz WCDNMJYFWAQQNX-UHFFFAOYSA-N 1 0 375.472 4.210 50 0 GIAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)cc1 ZINC000077455925 222283027 /nfs/dbraw/zinc/28/30/27/222283027.db2.gz FTGHCQRBTFNQGZ-KRWDZBQOSA-N 1 0 381.549 4.287 50 0 GIAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1coc(Br)c1 ZINC000078710646 222297066 /nfs/dbraw/zinc/29/70/66/222297066.db2.gz QWXARKPZIUEKAX-UHFFFAOYSA-N 1 0 379.298 4.026 50 0 GIAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc3oc(C(C)C)nc3c2)CC1 ZINC000095521296 222346719 /nfs/dbraw/zinc/34/67/19/222346719.db2.gz ODUPUNMRFBFJOG-UHFFFAOYSA-N 1 0 378.476 4.007 50 0 GIAARO Cc1cccc(-c2nc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccco4)C3)cs2)c1 ZINC000095519510 222346843 /nfs/dbraw/zinc/34/68/43/222346843.db2.gz CMBWJHRRRGFVFK-SFHVURJKSA-N 1 0 395.528 4.240 50 0 GIAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2sccc2C)CC3)c1 ZINC000095525362 222349349 /nfs/dbraw/zinc/34/93/49/222349349.db2.gz LAIYPKYWPVHDJD-UHFFFAOYSA-N 1 0 384.545 4.080 50 0 GIAARO C[NH+](C)Cc1ccnc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000095963627 222365242 /nfs/dbraw/zinc/36/52/42/222365242.db2.gz UBWJVPLVYFSQCY-UHFFFAOYSA-N 1 0 391.315 4.433 50 0 GIAARO c1ccc(C[NH+]2CCC(c3nc([C@@H]4CCOC4)no3)(c3ccccc3)CC2)cc1 ZINC000096163544 222395335 /nfs/dbraw/zinc/39/53/35/222395335.db2.gz BBRHTJUDZXKCSU-HXUWFJFHSA-N 1 0 389.499 4.156 50 0 GIAARO COc1cccc(-c2ccccc2NC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c1 ZINC000101978980 222478663 /nfs/dbraw/zinc/47/86/63/222478663.db2.gz BXCAAEKNJPFBAP-OEWRPIJISA-N 1 0 379.504 4.166 50 0 GIAARO COC1CC[NH+](C2CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)CC1 ZINC000206766153 222568538 /nfs/dbraw/zinc/56/85/38/222568538.db2.gz KJXYNTWZJXPIKK-UHFFFAOYSA-N 1 0 384.545 4.131 50 0 GIAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(OC(F)F)c2)s1 ZINC000426716999 533884299 /nfs/dbraw/zinc/88/42/99/533884299.db2.gz PAYQXMAHYDBELG-UHFFFAOYSA-N 1 0 383.464 4.254 50 0 GIAARO COc1ccc(-n2cc(C[NH2+][C@H]3CC[C@H](O)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000240662377 523330768 /nfs/dbraw/zinc/33/07/68/523330768.db2.gz PKMNJNBSKMAENZ-XUTJKUGGSA-N 1 0 395.478 4.080 50 0 GIAARO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000032729829 526596485 /nfs/dbraw/zinc/59/64/85/526596485.db2.gz BZQOXAKAFWGBQK-QFIPXVFZSA-N 1 0 377.463 4.229 50 0 GIAARO CCC(=O)c1cccc(-c2ccc(C(=O)N(CC)C[C@@H]3CC[N@H+](C)C3)cc2)c1 ZINC000426478934 528468949 /nfs/dbraw/zinc/46/89/49/528468949.db2.gz OMUZOMDJTAYJFJ-GOSISDBHSA-N 1 0 378.516 4.360 50 0 GIAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CC2CCCCC2)CC1 ZINC000058152684 535746335 /nfs/dbraw/zinc/74/63/35/535746335.db2.gz FFBHPSKLCDBRQU-QGZVFWFLSA-N 1 0 375.532 4.115 50 0 GIAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)s1 ZINC000019720371 570210999 /nfs/dbraw/zinc/21/09/99/570210999.db2.gz CESQIEUUKLAMLY-QGZVFWFLSA-N 1 0 379.529 4.457 50 0 GIAARO CCc1c(C)nn(C)c1NC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000096132307 570211506 /nfs/dbraw/zinc/21/15/06/570211506.db2.gz ZXHNRZRLAZNHIO-FQEVSTJZSA-N 1 0 383.540 4.112 50 0 GIAARO C[NH+]1CCN(CCO[C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019802428 570220779 /nfs/dbraw/zinc/22/07/79/570220779.db2.gz BJZHTQLHPCJNND-IBGZPJMESA-N 1 0 388.964 4.352 50 0 GIAARO O=C(Nc1ccccc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019925495 570230034 /nfs/dbraw/zinc/23/00/34/570230034.db2.gz RNDAHPFXUAPZHP-UHFFFAOYSA-N 1 0 385.511 4.257 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1 ZINC000019939330 570232458 /nfs/dbraw/zinc/23/24/58/570232458.db2.gz CIQHHNDFCJJEEL-JOCHJYFZSA-N 1 0 399.966 4.135 50 0 GIAARO COc1cccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000020274449 570251067 /nfs/dbraw/zinc/25/10/67/570251067.db2.gz HUGKIWDHZNCVRX-UHFFFAOYSA-N 1 0 375.472 4.198 50 0 GIAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](Cc4ccco4)C3)CC2)c1 ZINC000020455419 570258791 /nfs/dbraw/zinc/25/87/91/570258791.db2.gz SYZDEHAZVIIWHF-IBGZPJMESA-N 1 0 393.453 4.085 50 0 GIAARO CCC(=O)c1ccccc1OCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020500188 570264230 /nfs/dbraw/zinc/26/42/30/570264230.db2.gz GZATZVIDFBNYSI-UHFFFAOYSA-N 1 0 380.532 4.256 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020736327 570278078 /nfs/dbraw/zinc/27/80/78/570278078.db2.gz NJISNQDEXYSXJL-FQEVSTJZSA-N 1 0 394.540 4.072 50 0 GIAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn32)CC1 ZINC000002434498 570286992 /nfs/dbraw/zinc/28/69/92/570286992.db2.gz MVHPZIHTWXQBCJ-UHFFFAOYSA-N 1 0 397.954 4.489 50 0 GIAARO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000021584799 570292767 /nfs/dbraw/zinc/29/27/67/570292767.db2.gz MQHZSNQTXZXYDX-LJQANCHMSA-N 1 0 383.879 4.084 50 0 GIAARO O=C(Nc1ccc(F)cc1F)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663450 570294078 /nfs/dbraw/zinc/29/40/78/570294078.db2.gz RCKAZKMILWDFJU-UHFFFAOYSA-N 1 0 377.460 4.190 50 0 GIAARO COc1ccc([C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C[NH+]2CCC(C)CC2)cc1 ZINC000034692538 570296364 /nfs/dbraw/zinc/29/63/64/570296364.db2.gz KIZWDBRIURFPJM-JTHBVZDNSA-N 1 0 384.564 4.159 50 0 GIAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCC3)n2[C@@H](C)c2ccccc2)s1 ZINC000034680321 570299405 /nfs/dbraw/zinc/29/94/05/570299405.db2.gz HNOIFMGIVHAIRT-KRWDZBQOSA-N 1 0 381.545 4.446 50 0 GIAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)c1 ZINC000216530700 570302982 /nfs/dbraw/zinc/30/29/82/570302982.db2.gz IDNXWKQSHHOUAU-NRFANRHFSA-N 1 0 376.504 4.270 50 0 GIAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107692 570306114 /nfs/dbraw/zinc/30/61/14/570306114.db2.gz UJVZZINKSGEXAR-QFIPXVFZSA-N 1 0 377.484 4.140 50 0 GIAARO CCCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1 ZINC000002845625 570307679 /nfs/dbraw/zinc/30/76/79/570307679.db2.gz JSNNVLCYCHVEHC-UHFFFAOYSA-N 1 0 381.520 4.260 50 0 GIAARO Fc1ccccc1-c1noc2c1CN([C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000023358327 570322044 /nfs/dbraw/zinc/32/20/44/570322044.db2.gz YMDIEHZYTDDEKF-SFHVURJKSA-N 1 0 377.463 4.113 50 0 GIAARO Cc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 ZINC000003104151 570328782 /nfs/dbraw/zinc/32/87/82/570328782.db2.gz LJFSEGVLGUWDOS-QFIPXVFZSA-N 1 0 387.450 4.247 50 0 GIAARO C[C@@H](O)c1cc(Cl)ccc1Sc1ccccc1CN1CC[NH+](C)CC1 ZINC000022862853 570332185 /nfs/dbraw/zinc/33/21/85/570332185.db2.gz HLFMMWPCGGOWJR-OAHLLOKOSA-N 1 0 376.953 4.292 50 0 GIAARO COc1cccc([C@@H](C[NH2+]C2CCN(C)CC2)c2c[nH]c3ccccc32)c1OC ZINC000023881016 570333557 /nfs/dbraw/zinc/33/35/57/570333557.db2.gz QDZQHAWGXSNUFD-OAQYLSRUSA-N 1 0 393.531 4.001 50 0 GIAARO Cc1ccsc1C[N@@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000022914491 570334617 /nfs/dbraw/zinc/33/46/17/570334617.db2.gz XSEFWIICFHFIGY-FQEVSTJZSA-N 1 0 389.996 4.497 50 0 GIAARO COc1ccc(-c2cc(C(=O)OC3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000004863347 570350545 /nfs/dbraw/zinc/35/05/45/570350545.db2.gz KRVACGJHAYKUQO-UHFFFAOYSA-N 1 0 376.456 4.161 50 0 GIAARO COCCC[C@@H]1CCC[N@@H+](C2CCN(c3ccc(-c4cc[nH]n4)cc3)CC2)C1 ZINC000023251728 570352622 /nfs/dbraw/zinc/35/26/22/570352622.db2.gz DVYSVOFCJZJTNH-IBGZPJMESA-N 1 0 382.552 4.184 50 0 GIAARO CC[NH+](CC)CCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000004909774 570362052 /nfs/dbraw/zinc/36/20/52/570362052.db2.gz XAGUPDXYVDTNIF-UHFFFAOYSA-N 1 0 392.503 4.059 50 0 GIAARO FC(F)(F)c1nc2ccccc2c(NCC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000023805259 570372622 /nfs/dbraw/zinc/37/26/22/570372622.db2.gz VKBHCODOUSPLOI-UHFFFAOYSA-N 1 0 394.441 4.096 50 0 GIAARO c1c(C[NH+]2CCN(c3ccccn3)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000023955990 570375835 /nfs/dbraw/zinc/37/58/35/570375835.db2.gz CHTFXDJIPVEFTN-UHFFFAOYSA-N 1 0 395.510 4.257 50 0 GIAARO O=C(Cc1csc(-c2ccsc2)n1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024190091 570380472 /nfs/dbraw/zinc/38/04/72/570380472.db2.gz IVWRPODQRYQPBQ-UHFFFAOYSA-N 1 0 397.569 4.326 50 0 GIAARO CC[C@@H](OC(C)=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000032130016 570390437 /nfs/dbraw/zinc/39/04/37/570390437.db2.gz SHCDGLFYVHNNJX-HSZRJFAPSA-N 1 0 381.516 4.037 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)n(-c2ccc(F)cc2)n1 ZINC000024761813 570392193 /nfs/dbraw/zinc/39/21/93/570392193.db2.gz XKYSRLOFELAHHV-QHCPKHFHSA-N 1 0 392.478 4.308 50 0 GIAARO COc1ccccc1[C@@H](CNC(=O)c1oc2ccccc2c1C)[NH+]1CCCC1 ZINC000032721286 570394358 /nfs/dbraw/zinc/39/43/58/570394358.db2.gz KKYIXNFCQMIOGD-LJQANCHMSA-N 1 0 378.472 4.317 50 0 GIAARO COc1cc(C[NH2+]C(C)C)ccc1OCC(=O)Nc1cccc2ccccc21 ZINC000004839085 570410002 /nfs/dbraw/zinc/41/00/02/570410002.db2.gz XKQWUHXGWIRZDV-UHFFFAOYSA-N 1 0 378.472 4.364 50 0 GIAARO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)o2)cc1 ZINC000025382827 570412430 /nfs/dbraw/zinc/41/24/30/570412430.db2.gz SRLYHQHLKINZIB-FQEVSTJZSA-N 1 0 395.478 4.141 50 0 GIAARO COc1cc2[nH+]c(N3CCN(c4ccccc4F)CC3)cc(C)c2c(OC)c1 ZINC000004982063 570421267 /nfs/dbraw/zinc/42/12/67/570421267.db2.gz QNLDKCFFWZRQJC-UHFFFAOYSA-N 1 0 381.451 4.026 50 0 GIAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C)cc3C)nc2c1 ZINC000005121540 570421460 /nfs/dbraw/zinc/42/14/60/570421460.db2.gz SUJIRDOWRDQNOI-UHFFFAOYSA-N 1 0 383.517 4.130 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3c(C)cccc3C)C2)cc1OC ZINC000005017763 570424130 /nfs/dbraw/zinc/42/41/30/570424130.db2.gz QSVNBDGOVAQFFK-IBGZPJMESA-N 1 0 382.504 4.171 50 0 GIAARO CCC[NH+](CCC)CC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 ZINC000005018007 570424292 /nfs/dbraw/zinc/42/42/92/570424292.db2.gz KFTGZRVNIVFWFS-UHFFFAOYSA-N 1 0 380.554 4.254 50 0 GIAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000005019702 570424367 /nfs/dbraw/zinc/42/43/67/570424367.db2.gz CSBFXKNAYGKCJI-KRWDZBQOSA-N 1 0 379.859 4.335 50 0 GIAARO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000026381741 570425174 /nfs/dbraw/zinc/42/51/74/570425174.db2.gz PMWVRXDIURNLPA-UHFFFAOYSA-N 1 0 377.532 4.186 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027581833 570436486 /nfs/dbraw/zinc/43/64/86/570436486.db2.gz SXBYGVBGLQZDKO-HSZRJFAPSA-N 1 0 380.532 4.334 50 0 GIAARO COc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027741386 570440798 /nfs/dbraw/zinc/44/07/98/570440798.db2.gz SZXOWBWZCCREHA-QHCPKHFHSA-N 1 0 396.531 4.116 50 0 GIAARO CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000027746359 570441619 /nfs/dbraw/zinc/44/16/19/570441619.db2.gz WBEURWKAHMHHKO-QFIPXVFZSA-N 1 0 396.531 4.441 50 0 GIAARO Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)c12 ZINC000156188815 570455362 /nfs/dbraw/zinc/45/53/62/570455362.db2.gz DKDQWMLLXNUNTD-DOMZBBRYSA-N 1 0 398.894 4.051 50 0 GIAARO C[NH+](C)CC(=O)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000005797658 570457333 /nfs/dbraw/zinc/45/73/33/570457333.db2.gz GVJWWWGOKWHSQH-QFIPXVFZSA-N 1 0 379.548 4.470 50 0 GIAARO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000089505830 570458529 /nfs/dbraw/zinc/45/85/29/570458529.db2.gz ZTLMRNFGONXOHT-VQIMIIECSA-N 1 0 392.588 4.127 50 0 GIAARO O=c1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)nc2sccn21 ZINC000134174546 570469118 /nfs/dbraw/zinc/46/91/18/570469118.db2.gz RPWLNOAALSRZIR-GDBMZVCRSA-N 1 0 393.434 4.201 50 0 GIAARO O=c1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)nc2sccn21 ZINC000134174346 570469136 /nfs/dbraw/zinc/46/91/36/570469136.db2.gz RPWLNOAALSRZIR-GOEBONIOSA-N 1 0 393.434 4.201 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000006552748 570475190 /nfs/dbraw/zinc/47/51/90/570475190.db2.gz JSXLUUAZDRSKHN-UHFFFAOYSA-N 1 0 394.906 4.201 50 0 GIAARO CC1(C)CC(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)CC(C)(C)[NH2+]1 ZINC000029787742 570479917 /nfs/dbraw/zinc/47/99/17/570479917.db2.gz DJVPNMBJEYDACW-UHFFFAOYSA-N 1 0 384.495 4.444 50 0 GIAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)[N@H+](Cc1cccc(F)c1)CC2 ZINC000006576856 570481115 /nfs/dbraw/zinc/48/11/15/570481115.db2.gz ORZUIMGMXAQGPX-PMOQBDJRSA-N 1 0 383.463 4.423 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(COc2ccccc2)cc1 ZINC000006580960 570483162 /nfs/dbraw/zinc/48/31/62/570483162.db2.gz WYNLVKWXDXUKQH-QFIPXVFZSA-N 1 0 390.483 4.426 50 0 GIAARO Cc1cc(C)n(CCC[NH2+][C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000006602382 570491797 /nfs/dbraw/zinc/49/17/97/570491797.db2.gz GXUUXKHQWMVBPY-QHCPKHFHSA-N 1 0 390.531 4.476 50 0 GIAARO Cc1n[nH]cc1CCC[NH2+][C@@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000089544535 570492759 /nfs/dbraw/zinc/49/27/59/570492759.db2.gz YYHRZSGPILKHLO-QFBILLFUSA-N 1 0 378.561 4.199 50 0 GIAARO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1c(Cl)cccc1Cl ZINC000006883139 570498063 /nfs/dbraw/zinc/49/80/63/570498063.db2.gz XDQFQFMHHSSXFW-UHFFFAOYSA-N 1 0 384.303 4.442 50 0 GIAARO Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)N[C@@H](C)C[NH+]1CCCCC1 ZINC000002802143 570516840 /nfs/dbraw/zinc/51/68/40/570516840.db2.gz UAQIBYOJRLIRGT-KRWDZBQOSA-N 1 0 399.608 4.017 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cccc3cccnc32)[NH+]2CCCCC2)cc1 ZINC000006647873 570517179 /nfs/dbraw/zinc/51/71/79/570517179.db2.gz FAYSYFSEXBEUOW-QFIPXVFZSA-N 1 0 389.499 4.200 50 0 GIAARO Cc1nc2cc(C(=O)NCc3ccccc3C[NH+](C)C)ccc2n1-c1ccccc1 ZINC000006657396 570521420 /nfs/dbraw/zinc/52/14/20/570521420.db2.gz TUTGYOHSKUNZRA-UHFFFAOYSA-N 1 0 398.510 4.326 50 0 GIAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C(C)C)cc1OC ZINC000036095804 570535614 /nfs/dbraw/zinc/53/56/14/570535614.db2.gz OOFBLKKIBDXFTI-GOSISDBHSA-N 1 0 393.911 4.008 50 0 GIAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103014 570540284 /nfs/dbraw/zinc/54/02/84/570540284.db2.gz PMQICGVGDDPNGF-HSZRJFAPSA-N 1 0 379.475 4.406 50 0 GIAARO CN(C)[C@@H](C[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000022865214 570558343 /nfs/dbraw/zinc/55/83/43/570558343.db2.gz BVPJINTYGINITG-QHCPKHFHSA-N 1 0 385.596 4.373 50 0 GIAARO O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)NC1CCCCC1 ZINC000022907674 570564238 /nfs/dbraw/zinc/56/42/38/570564238.db2.gz FZAFQJGXTCERFD-FQEVSTJZSA-N 1 0 383.561 4.479 50 0 GIAARO C[C@@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1Br ZINC000225405838 570570404 /nfs/dbraw/zinc/57/04/04/570570404.db2.gz HCIFQZKYVSRCMR-QWHCGFSZSA-N 1 0 383.330 4.355 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 ZINC000039364268 570590242 /nfs/dbraw/zinc/59/02/42/570590242.db2.gz NKXXXDAQXNEFMC-DEOSSOPVSA-N 1 0 381.516 4.071 50 0 GIAARO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000039413283 570591322 /nfs/dbraw/zinc/59/13/22/570591322.db2.gz SQHCCZZAIZAQGZ-RUZDIDTESA-N 1 0 396.550 4.107 50 0 GIAARO CSCCC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000039478346 570591885 /nfs/dbraw/zinc/59/18/85/570591885.db2.gz KQNSKMAXNXSCQR-UHFFFAOYSA-N 1 0 385.533 4.278 50 0 GIAARO O[C@@]1(c2ccccc2)CCC[N@H+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000225674706 570601486 /nfs/dbraw/zinc/60/14/86/570601486.db2.gz AVMATHWIROJUON-QHCPKHFHSA-N 1 0 377.488 4.043 50 0 GIAARO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1c(F)cccc1Cl ZINC000040722436 570606728 /nfs/dbraw/zinc/60/67/28/570606728.db2.gz RSIXPDOKAMUQKN-OAHLLOKOSA-N 1 0 379.859 4.335 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722499 570606901 /nfs/dbraw/zinc/60/69/01/570606901.db2.gz HXZHPPZEIRECFI-HNNXBMFYSA-N 1 0 384.303 4.442 50 0 GIAARO COCCC[NH2+]Cc1cc(Br)cc(Br)c1OC(C)C ZINC000040730081 570608522 /nfs/dbraw/zinc/60/85/22/570608522.db2.gz DDIYTDLHZNMDCJ-UHFFFAOYSA-N 1 0 395.135 4.125 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1c(OCC(=O)Nc2ccc(C)cc2)ccc2ccccc21 ZINC000040736271 570609599 /nfs/dbraw/zinc/60/95/99/570609599.db2.gz RFCMGPQBKPLRBF-LJQANCHMSA-N 1 0 392.499 4.026 50 0 GIAARO CC[NH2+]Cc1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 ZINC000040742305 570612184 /nfs/dbraw/zinc/61/21/84/570612184.db2.gz KSKORVSHRTYLGJ-UHFFFAOYSA-N 1 0 376.884 4.174 50 0 GIAARO Cc1c(Cl)cccc1NC(=O)CC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000034260063 570612948 /nfs/dbraw/zinc/61/29/48/570612948.db2.gz YGEFSWSRRBZIBW-TWGQIWQCSA-N 1 0 397.950 4.308 50 0 GIAARO COc1cc(C[NH2+]CCCCO)ccc1OCc1c(Cl)cccc1Cl ZINC000040744115 570613755 /nfs/dbraw/zinc/61/37/55/570613755.db2.gz RVFHKLNGIHCCMR-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC000036345147 570627679 /nfs/dbraw/zinc/62/76/79/570627679.db2.gz JTDMPCAZHYDMLX-QHCPKHFHSA-N 1 0 393.531 4.330 50 0 GIAARO COc1ccccc1[C@H]1CC(c2cc(C)ccc2C)=NN1C(=O)C[N@H+](C)C(C)C ZINC000036345368 570627734 /nfs/dbraw/zinc/62/77/34/570627734.db2.gz UYDUZYRJZVDBKW-JOCHJYFZSA-N 1 0 393.531 4.330 50 0 GIAARO COc1ccc(C2=NN(C(=O)C[N@H+](C)C(C)C)[C@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345773 570628179 /nfs/dbraw/zinc/62/81/79/570628179.db2.gz DACIPWNOMRYAEO-QHCPKHFHSA-N 1 0 393.531 4.330 50 0 GIAARO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c2ccccc2O1 ZINC000044918433 570643337 /nfs/dbraw/zinc/64/33/37/570643337.db2.gz RSCGFTMCIHSYLK-OAQYLSRUSA-N 1 0 396.506 4.456 50 0 GIAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044920043 570643358 /nfs/dbraw/zinc/64/33/58/570643358.db2.gz DDGNNIHNQAKPOI-UHFFFAOYSA-N 1 0 386.923 4.267 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1nc2ccccc2[nH]1 ZINC000036394397 570679054 /nfs/dbraw/zinc/67/90/54/570679054.db2.gz KCJFDLJMVNKCQM-GOSISDBHSA-N 1 0 390.531 4.186 50 0 GIAARO CC[C@@H](CO)[N@H+](Cc1c(C)nc2ccc(Cl)cn21)Cc1ccc(F)cc1 ZINC000055091066 570682347 /nfs/dbraw/zinc/68/23/47/570682347.db2.gz UJQVBCVGQUTGQS-SFHVURJKSA-N 1 0 375.875 4.208 50 0 GIAARO COc1ccc([C@@H]2C[C@H](C)N([C@@H](C)c3ncc(Br)cn3)C2)cc1 ZINC000241926434 570688119 /nfs/dbraw/zinc/68/81/19/570688119.db2.gz UGEDXQCAURLROA-KCQAQPDRSA-N 1 0 376.298 4.187 50 0 GIAARO CC[NH+](CC)CCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1 ZINC000004359445 570705732 /nfs/dbraw/zinc/70/57/32/570705732.db2.gz SGRDDOWPNHORKX-UHFFFAOYSA-N 1 0 377.510 4.486 50 0 GIAARO COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3C)s2)cc1 ZINC000004359680 570706294 /nfs/dbraw/zinc/70/62/94/570706294.db2.gz BJDZRRQMGIKSKX-UHFFFAOYSA-N 1 0 383.517 4.212 50 0 GIAARO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000015042580 570722267 /nfs/dbraw/zinc/72/22/67/570722267.db2.gz RVHVCQLUIFDLFT-UHFFFAOYSA-N 1 0 378.394 4.262 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000032648007 570726045 /nfs/dbraw/zinc/72/60/45/570726045.db2.gz FJFBIYWGGFNQIR-UHFFFAOYSA-N 1 0 380.488 4.474 50 0 GIAARO CCOc1cccc(C[NH2+]CCOc2ccccn2)c1OCc1ccccc1F ZINC000253385979 570732768 /nfs/dbraw/zinc/73/27/68/570732768.db2.gz VCZLEWQUXVPXSX-UHFFFAOYSA-N 1 0 396.462 4.367 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1sc2ncccc2c1-n1c(C)ccc1C ZINC000033059905 570746918 /nfs/dbraw/zinc/74/69/18/570746918.db2.gz SWCXWGFMRQMELL-UHFFFAOYSA-N 1 0 384.549 4.166 50 0 GIAARO CC(C)c1noc(-c2cccnc2N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000065257917 570758922 /nfs/dbraw/zinc/75/89/22/570758922.db2.gz UTMOMCFIRCIKHF-UHFFFAOYSA-N 1 0 395.482 4.106 50 0 GIAARO COc1ccc(C[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000032743339 570787483 /nfs/dbraw/zinc/78/74/83/570787483.db2.gz BZQPCJYBMDOZBG-XUZZJYLKSA-N 1 0 381.516 4.115 50 0 GIAARO Clc1ccccc1Cn1nc(CNCc2ccncc2)c(-c2ccccc2)n1 ZINC000261491702 570789526 /nfs/dbraw/zinc/78/95/26/570789526.db2.gz DOFPFVCAVXRSII-UHFFFAOYSA-N 1 0 389.890 4.332 50 0 GIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cccc(C)c4)ccc3n2)CC1 ZINC000033084639 570806347 /nfs/dbraw/zinc/80/63/47/570806347.db2.gz PRGOUPVNLNXTNB-UHFFFAOYSA-N 1 0 388.515 4.246 50 0 GIAARO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccccn1 ZINC000004669517 570816925 /nfs/dbraw/zinc/81/69/25/570816925.db2.gz YYQZVSQHRQXGPI-HNNXBMFYSA-N 1 0 376.957 4.365 50 0 GIAARO COc1ccc(CNC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000007286164 570824956 /nfs/dbraw/zinc/82/49/56/570824956.db2.gz VHFUOKQNEQFORZ-GOSISDBHSA-N 1 0 381.520 4.192 50 0 GIAARO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000037130763 570842705 /nfs/dbraw/zinc/84/27/05/570842705.db2.gz AVLULMFXAXTXNV-JPYJTQIMSA-N 1 0 391.515 4.247 50 0 GIAARO CN(Cc1ccc(Br)cc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000032843267 570851958 /nfs/dbraw/zinc/85/19/58/570851958.db2.gz ZPUMSKDIXZUNIU-UHFFFAOYSA-N 1 0 387.321 4.317 50 0 GIAARO Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1N1CC[C@H]([NH+](C)C)C1 ZINC000170596023 570853077 /nfs/dbraw/zinc/85/30/77/570853077.db2.gz XJYTZLSOCGKQMY-SFHVURJKSA-N 1 0 387.524 4.005 50 0 GIAARO O=C(CCc1ccccc1)[C@H]1CCC[N@H+](Cc2cc(-c3ccccn3)no2)C1 ZINC000072144031 570870389 /nfs/dbraw/zinc/87/03/89/570870389.db2.gz SVTSKMLUTREZBE-IBGZPJMESA-N 1 0 375.472 4.151 50 0 GIAARO O=C(OC1CC[NH+](Cc2ccsc2)CC1)c1cccc(Br)c1F ZINC000170613597 570871745 /nfs/dbraw/zinc/87/17/45/570871745.db2.gz AISONDMEVNBKPI-UHFFFAOYSA-N 1 0 398.297 4.471 50 0 GIAARO CCCOc1ccc(OCC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000170629012 570884551 /nfs/dbraw/zinc/88/45/51/570884551.db2.gz BVHRXPWSKWWOMS-LJQANCHMSA-N 1 0 396.531 4.196 50 0 GIAARO CCOc1ccc(CNCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1OC ZINC000097002580 570885933 /nfs/dbraw/zinc/88/59/33/570885933.db2.gz FIMOFHKWOPUHSO-IBGZPJMESA-N 1 0 398.547 4.084 50 0 GIAARO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299767410 570893155 /nfs/dbraw/zinc/89/31/55/570893155.db2.gz GPUUXIYMNHKTGG-WWNPGLIZSA-N 1 0 394.563 4.265 50 0 GIAARO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](c1cc(F)ccc1F)C1CC1 ZINC000097162376 570901036 /nfs/dbraw/zinc/90/10/36/570901036.db2.gz GUCHTVJBFCKGEI-SPLOXXLWSA-N 1 0 388.458 4.352 50 0 GIAARO CN(Cc1cccc(O)c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000534666263 570919481 /nfs/dbraw/zinc/91/94/81/570919481.db2.gz RINJVOJUJXZRME-FQEVSTJZSA-N 1 0 387.911 4.024 50 0 GIAARO Cc1cc(=O)[nH]c2ccc(-c3cccc(C(=O)NCC[NH+]4CCCCC4)c3)cc12 ZINC000534665435 570919491 /nfs/dbraw/zinc/91/94/91/570919491.db2.gz VNVMDCPWKKEEJK-UHFFFAOYSA-N 1 0 389.499 4.132 50 0 GIAARO CC(C)c1noc(CCCC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000046935468 570937325 /nfs/dbraw/zinc/93/73/25/570937325.db2.gz CNQPKHFUWAMPFK-SFHVURJKSA-N 1 0 398.551 4.064 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(F)cc2Br)C1 ZINC000047038840 570939282 /nfs/dbraw/zinc/93/92/82/570939282.db2.gz ZPLDQKVJUNEGDE-ZIAGYGMSSA-N 1 0 385.321 4.076 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2onc(C(C)C)c2c1)Cc1ccccc1 ZINC000023197789 570946609 /nfs/dbraw/zinc/94/66/09/570946609.db2.gz KAQNZSVWELPWJB-LJQANCHMSA-N 1 0 394.519 4.029 50 0 GIAARO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000047262065 570950523 /nfs/dbraw/zinc/95/05/23/570950523.db2.gz UIZPTGQFIBAUSR-QGZVFWFLSA-N 1 0 380.879 4.134 50 0 GIAARO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000252503518 570977484 /nfs/dbraw/zinc/97/74/84/570977484.db2.gz VEHDSMAPAQSCRQ-UHFFFAOYSA-N 1 0 382.508 4.000 50 0 GIAARO COc1ccc(Br)cc1CN1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000019362858 570979774 /nfs/dbraw/zinc/97/97/74/570979774.db2.gz ZKHVGRLKKHRXRK-MAUKXSAKSA-N 1 0 381.358 4.154 50 0 GIAARO CCCCc1nn2c(nc(C[N@H+](CCC)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032208 570982054 /nfs/dbraw/zinc/98/20/54/570982054.db2.gz QSVXLUUGCYMSIE-UHFFFAOYSA-N 1 0 388.512 4.045 50 0 GIAARO COc1ccc(-c2csc(N3[NH2+]C(C(C)C)=C[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000001415788 570992069 /nfs/dbraw/zinc/99/20/69/570992069.db2.gz VMAZQVLSHCRYSJ-MRXNPFEDSA-N 1 0 385.411 4.292 50 0 GIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000004812303 570999097 /nfs/dbraw/zinc/99/90/97/570999097.db2.gz DCVDFGZAQONNLU-LJQANCHMSA-N 1 0 399.441 4.253 50 0 GIAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)n3ccc(C)cc3n2)CC(C)C)cc1 ZINC000045974107 571006988 /nfs/dbraw/zinc/00/69/88/571006988.db2.gz JRPPZJHTHIICCU-UHFFFAOYSA-N 1 0 379.504 4.060 50 0 GIAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032188 571013784 /nfs/dbraw/zinc/01/37/84/571013784.db2.gz UNPNDWQGKWWCRD-UHFFFAOYSA-N 1 0 390.512 4.230 50 0 GIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000091914630 571036246 /nfs/dbraw/zinc/03/62/46/571036246.db2.gz WWHIZWWCFJATNZ-NRFANRHFSA-N 1 0 378.516 4.124 50 0 GIAARO CC(C)Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1 ZINC000095356366 571052410 /nfs/dbraw/zinc/05/24/10/571052410.db2.gz VCOAOPGYPMEDSD-JTHBVZDNSA-N 1 0 377.532 4.017 50 0 GIAARO Clc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095380667 571067018 /nfs/dbraw/zinc/06/70/18/571067018.db2.gz JAXOWEWZIIHZJN-WWPVKYPJSA-N 1 0 396.918 4.131 50 0 GIAARO CC(C)c1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)on1 ZINC000095381850 571068074 /nfs/dbraw/zinc/06/80/74/571068074.db2.gz GMFKFQDTIQHQRN-UHFFFAOYSA-N 1 0 395.547 4.245 50 0 GIAARO Cc1ccc(C)c(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095388161 571071265 /nfs/dbraw/zinc/07/12/65/571071265.db2.gz RVKQRUPUHZDOHR-FTBPSBKWSA-N 1 0 390.527 4.094 50 0 GIAARO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC(OCC[NH+]3CCCC3)CC1)CC2 ZINC000188158118 823195734 /nfs/dbraw/zinc/19/57/34/823195734.db2.gz CKGXZPCRURIZAO-HSZRJFAPSA-N 1 0 399.579 4.084 50 0 GIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000002660960 817397252 /nfs/dbraw/zinc/39/72/52/817397252.db2.gz IGOUXUQTMKCVQZ-UHFFFAOYSA-N 1 0 397.828 4.363 50 0 GIAARO Fc1ccccc1N1CC[NH+](CCCNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000002932968 817406872 /nfs/dbraw/zinc/40/68/72/817406872.db2.gz NQTVGLBISJBZSZ-UHFFFAOYSA-N 1 0 397.523 4.056 50 0 GIAARO Cc1cc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)ccc1Cl ZINC000003049934 817415386 /nfs/dbraw/zinc/41/53/86/817415386.db2.gz PZILXHKEUDQLHW-OAHLLOKOSA-N 1 0 376.957 4.365 50 0 GIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)cc1Cl ZINC000003049952 817415471 /nfs/dbraw/zinc/41/54/71/817415471.db2.gz MBLHZPJWTCPTFA-OAHLLOKOSA-N 1 0 376.957 4.365 50 0 GIAARO c1coc(CNc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3ccccc32)c1 ZINC000003231477 817424912 /nfs/dbraw/zinc/42/49/12/817424912.db2.gz JRTQKLGEKVVPGF-UHFFFAOYSA-N 1 0 399.498 4.157 50 0 GIAARO COc1ccccc1[C@H](CNC(=S)Nc1cccc(C)c1C)[NH+]1CCCC1 ZINC000003351576 817441211 /nfs/dbraw/zinc/44/12/11/817441211.db2.gz RBRXQWLXUCHAII-FQEVSTJZSA-N 1 0 383.561 4.436 50 0 GIAARO CC[NH+](CC)c1ccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)cc1 ZINC000004257123 817514526 /nfs/dbraw/zinc/51/45/26/817514526.db2.gz IXKWBSCYYQTTEH-UHFFFAOYSA-N 1 0 378.524 4.473 50 0 GIAARO COc1cc([C@H](C)[NH2+]Cc2ccc(C3CC3)cc2)ccc1S(=O)(=O)C(F)F ZINC000188722893 823293182 /nfs/dbraw/zinc/29/31/82/823293182.db2.gz UOHWYVFNZGXOMP-ZDUSSCGKSA-N 1 0 395.471 4.420 50 0 GIAARO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(-n3ccnc3)cc1)O[C@@H](C)C2 ZINC000007984346 817975832 /nfs/dbraw/zinc/97/58/32/817975832.db2.gz ITQOEDQDJZSWPF-IRXDYDNUSA-N 1 0 377.488 4.445 50 0 GIAARO O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC12CC[NH+](Cc1ccoc1)CC2 ZINC000011787908 818120410 /nfs/dbraw/zinc/12/04/10/818120410.db2.gz CXAYUOJLCLVIJL-GOSISDBHSA-N 1 0 392.421 4.217 50 0 GIAARO CC(C)C[NH2+][C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c32)C1 ZINC000012150112 818143888 /nfs/dbraw/zinc/14/38/88/818143888.db2.gz LZGLGBNDKXBEEQ-SFHVURJKSA-N 1 0 395.572 4.194 50 0 GIAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)s1 ZINC000012574873 818167449 /nfs/dbraw/zinc/16/74/49/818167449.db2.gz RZCBLTBYTRHTAC-MRXNPFEDSA-N 1 0 398.557 4.426 50 0 GIAARO CCOC(=O)N1CCC([N@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)CC1 ZINC000014882897 818274030 /nfs/dbraw/zinc/27/40/30/818274030.db2.gz MCXWPUQFLYUMBB-QFIPXVFZSA-N 1 0 380.488 4.243 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2cccn2-c2nccs2)cnn1-c1cccc(F)c1 ZINC000014976963 818279813 /nfs/dbraw/zinc/27/98/13/818279813.db2.gz FTVMXIBXUQOVAF-AWEZNQCLSA-N 1 0 381.480 4.418 50 0 GIAARO CCc1nc(C)c(CN(CC)C[C@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)[nH]1 ZINC000015064609 818286432 /nfs/dbraw/zinc/28/64/32/818286432.db2.gz FTKZZCPXYZYAGI-OAQYLSRUSA-N 1 0 398.595 4.066 50 0 GIAARO CCCn1cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218095 818587819 /nfs/dbraw/zinc/58/78/19/818587819.db2.gz OHULEEKUGZPEGS-DEOSSOPVSA-N 1 0 380.580 4.398 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020166591 818616102 /nfs/dbraw/zinc/61/61/02/818616102.db2.gz RZXDPBOJXORDAN-QFIPXVFZSA-N 1 0 388.515 4.365 50 0 GIAARO Cc1cccc([C@](O)(c2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000020440647 818621272 /nfs/dbraw/zinc/62/12/72/818621272.db2.gz DGRSYBGFFBYEHK-IZZNHLLZSA-N 1 0 387.523 4.347 50 0 GIAARO COc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440780 818621386 /nfs/dbraw/zinc/62/13/86/818621386.db2.gz CQDLQCAGLLFFQK-DNQXCXABSA-N 1 0 383.532 4.045 50 0 GIAARO COc1ccc2c(c1)C[C@H]([N@@H+]1CCc3[nH]nc(-c4ccccc4F)c3C1)CC2 ZINC000020455083 818622349 /nfs/dbraw/zinc/62/23/49/818622349.db2.gz SNVQGYMYTOOWNH-QGZVFWFLSA-N 1 0 377.463 4.140 50 0 GIAARO Fc1ccccc1C[NH2+]Cc1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000020576816 818625792 /nfs/dbraw/zinc/62/57/92/818625792.db2.gz BOAYMIFRIIZTSF-UHFFFAOYSA-N 1 0 385.512 4.138 50 0 GIAARO Cc1[nH]c2c(cc(C)cc2C)c1Cc1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000020918184 818640496 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CNC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CN1Cc1cccc2ccccc21 ZINC000023360293 818927845 /nfs/dbraw/zinc/92/78/45/818927845.db2.gz CSNANUOCXWXEIH-VWNXMTODSA-N 1 0 393.575 4.231 50 0 GIAARO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COc2ccc(C(C)=O)cc2)cc1 ZINC000040013629 821125521 /nfs/dbraw/zinc/12/55/21/821125521.db2.gz DULHVLGCGBGJSU-XUZZJYLKSA-N 1 0 397.515 4.255 50 0 GIAARO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000040050384 821127668 /nfs/dbraw/zinc/12/76/68/821127668.db2.gz CIGFKSCNCLHAHT-MRXNPFEDSA-N 1 0 384.701 4.277 50 0 GIAARO Cc1[nH]c2ccccc2c1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000040070071 821131111 /nfs/dbraw/zinc/13/11/11/821131111.db2.gz RFLGWEVIZFKXNZ-UHFFFAOYSA-N 1 0 395.934 4.453 50 0 GIAARO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)n1cnc2ccccc21 ZINC000040112297 821140207 /nfs/dbraw/zinc/14/02/07/821140207.db2.gz BKSKKYZKRVDZJK-RTBURBONSA-N 1 0 390.531 4.146 50 0 GIAARO COc1ccccc1-c1csc(C2CC[NH+]([C@H]3CCN(C(C)C)C3=O)CC2)n1 ZINC000191515351 823694207 /nfs/dbraw/zinc/69/42/07/823694207.db2.gz VDBDGRPYQWNJFG-IBGZPJMESA-N 1 0 399.560 4.007 50 0 GIAARO Cc1cccc(-c2ncc(C[NH2+]CCc3csc(-c4cccnc4)n3)cn2)c1 ZINC000063884444 823705248 /nfs/dbraw/zinc/70/52/48/823705248.db2.gz DZBNEVXRVZMRQB-UHFFFAOYSA-N 1 0 387.512 4.303 50 0 GIAARO CC(C)(C)NC(=O)N1CCC([N@@H+]2CC3(CCCCC3)[C@H]2c2ccncc2)CC1 ZINC000169786992 823916730 /nfs/dbraw/zinc/91/67/30/823916730.db2.gz GVXROBGNWGEAOW-HXUWFJFHSA-N 1 0 384.568 4.361 50 0 GIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000575546637 823975591 /nfs/dbraw/zinc/97/55/91/823975591.db2.gz RXOYOVCNKGWZHI-HXUWFJFHSA-N 1 0 392.503 4.044 50 0 GIAARO O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000072230578 230950654 /nfs/dbraw/zinc/95/06/54/230950654.db2.gz NSELMXPFACHQGY-IBGZPJMESA-N 1 0 399.510 4.327 50 0 GIAARO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000225409664 222675295 /nfs/dbraw/zinc/67/52/95/222675295.db2.gz NHPHCBOMXGUBIK-HNAYVOBHSA-N 1 0 381.524 4.087 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000010237661 212238621 /nfs/dbraw/zinc/23/86/21/212238621.db2.gz UQQAFEDDRXUOOZ-XNWCZRBMSA-N 1 0 390.314 4.397 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(C)c(C)c3)C[C@H]21 ZINC000010214616 212237043 /nfs/dbraw/zinc/23/70/43/212237043.db2.gz BERCESRIJBEJIJ-OAQYLSRUSA-N 1 0 391.515 4.277 50 0 GIAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccccn1 ZINC000000872261 212191423 /nfs/dbraw/zinc/19/14/23/212191423.db2.gz ZULFRKZYEQZTBD-UHFFFAOYSA-N 1 0 390.483 4.454 50 0 GIAARO O=C(/C=C\c1ccccc1OC(F)(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000096180168 212153588 /nfs/dbraw/zinc/15/35/88/212153588.db2.gz CWPOJYCRSQXUQL-KTKRTIGZSA-N 1 0 396.453 4.369 50 0 GIAARO Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3=O)c2c1 ZINC000006624482 212147611 /nfs/dbraw/zinc/14/76/11/212147611.db2.gz HHGCDXBWXWVDDD-QFIPXVFZSA-N 1 0 389.499 4.064 50 0 GIAARO Cc1ccc(-c2nc(C(=O)N3c4ccccc4CC[C@@H]3C[NH+](C)C)cs2)o1 ZINC000328596725 212082536 /nfs/dbraw/zinc/08/25/36/212082536.db2.gz UTMXQQUATDPQQJ-MRXNPFEDSA-N 1 0 381.501 4.235 50 0 GIAARO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCC(n2cccn2)CC1 ZINC000328589925 212081093 /nfs/dbraw/zinc/08/10/93/212081093.db2.gz SHRGIISNSSACRJ-OAQYLSRUSA-N 1 0 378.451 4.039 50 0 GIAARO CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(NCC[NH3+])n1)CCC4 ZINC000002387020 220530538 /nfs/dbraw/zinc/53/05/38/220530538.db2.gz YIZPSYBVFSULCC-UHFFFAOYSA-N 1 0 387.578 4.019 50 0 GIAARO CC[NH+](CC)CCNc1nc(SC)nc2sc3c(c21)C[C@@](C)(CC)OC3 ZINC000002418450 220531051 /nfs/dbraw/zinc/53/10/51/220531051.db2.gz FVUFULVRAYSFFQ-LJQANCHMSA-N 1 0 394.610 4.408 50 0 GIAARO CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccco3)nc21 ZINC000004359475 220711385 /nfs/dbraw/zinc/71/13/85/220711385.db2.gz JIDDOGGKVRBNLJ-UHFFFAOYSA-N 1 0 387.505 4.277 50 0 GIAARO CCOc1ccccc1OCCOCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004845407 220773272 /nfs/dbraw/zinc/77/32/72/220773272.db2.gz GWMNEAJHKIGTIM-UHFFFAOYSA-N 1 0 383.532 4.435 50 0 GIAARO CC1CC[NH+](CCc2nc3cc(NC(=O)NC4CCCCC4)ccc3n2C)CC1 ZINC000006791239 220962494 /nfs/dbraw/zinc/96/24/94/220962494.db2.gz GEBDVPPTBPJQQJ-UHFFFAOYSA-N 1 0 397.567 4.302 50 0 GIAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3)c2C2CC[NH2+]CC2)cc1C ZINC000007000349 220982668 /nfs/dbraw/zinc/98/26/68/220982668.db2.gz ISOSALBPDCJWMR-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO CC[C@H](C)c1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC)c2)C(C)C)cc1 ZINC000007719248 221007793 /nfs/dbraw/zinc/00/77/93/221007793.db2.gz PSLBHARZHXDQPS-SBUREZEXSA-N 1 0 395.547 4.485 50 0 GIAARO CSc1cccc2sc(N(CC[NH+](C)C)C(=O)c3cccc(F)c3)nc21 ZINC000007599575 221002385 /nfs/dbraw/zinc/00/23/85/221002385.db2.gz QSIRHQOVSPOKFO-UHFFFAOYSA-N 1 0 389.521 4.366 50 0 GIAARO CSc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(F)cc3)nc21 ZINC000007599574 221002418 /nfs/dbraw/zinc/00/24/18/221002418.db2.gz JTILRVFORRPDSK-UHFFFAOYSA-N 1 0 389.521 4.366 50 0 GIAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012182 221023210 /nfs/dbraw/zinc/02/32/10/221023210.db2.gz PXFLOSUIEISONN-UHFFFAOYSA-N 1 0 388.515 4.015 50 0 GIAARO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCc2ccccc21 ZINC000008261849 221033158 /nfs/dbraw/zinc/03/31/58/221033158.db2.gz CDHUHVHJNKEVBW-QGZVFWFLSA-N 1 0 377.513 4.065 50 0 GIAARO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261372 221033515 /nfs/dbraw/zinc/03/35/15/221033515.db2.gz KEEXJOUTWAAFLF-AEFFLSMTSA-N 1 0 391.540 4.454 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008326322 221036577 /nfs/dbraw/zinc/03/65/77/221036577.db2.gz CCGNRIHWAYNSSU-INIZCTEOSA-N 1 0 382.273 4.028 50 0 GIAARO CC[C@H](CO)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008337047 221037793 /nfs/dbraw/zinc/03/77/93/221037793.db2.gz WERGFMMVZWPOFV-CQSZACIVSA-N 1 0 384.303 4.442 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2)cc1)Cc1ccccc1 ZINC000007988283 221021717 /nfs/dbraw/zinc/02/17/17/221021717.db2.gz OHWLOKPGVGZFQO-QHCPKHFHSA-N 1 0 388.511 4.168 50 0 GIAARO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000008533041 221043597 /nfs/dbraw/zinc/04/35/97/221043597.db2.gz GWLXNRXPWBGACN-KRWDZBQOSA-N 1 0 393.556 4.489 50 0 GIAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc12 ZINC000008595793 221045494 /nfs/dbraw/zinc/04/54/94/221045494.db2.gz HGGZYKKSGSWPSG-UHFFFAOYSA-N 1 0 393.466 4.078 50 0 GIAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000008717331 221051969 /nfs/dbraw/zinc/05/19/69/221051969.db2.gz UWMGFFQWJMZAIS-UHFFFAOYSA-N 1 0 390.483 4.374 50 0 GIAARO CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010898482 221108376 /nfs/dbraw/zinc/10/83/76/221108376.db2.gz NHCBWRZVIFUVIK-UHFFFAOYSA-N 1 0 388.515 4.130 50 0 GIAARO COc1ccc(-c2noc(NCCC[N@H+](Cc3ccccc3)C(C)C)n2)cc1 ZINC000009726838 221091239 /nfs/dbraw/zinc/09/12/39/221091239.db2.gz KIJZZCWYZZUTBR-UHFFFAOYSA-N 1 0 380.492 4.458 50 0 GIAARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000010214290 221097936 /nfs/dbraw/zinc/09/79/36/221097936.db2.gz KSPRUWHFUJMEQA-FQEVSTJZSA-N 1 0 377.488 4.051 50 0 GIAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000011818548 221128301 /nfs/dbraw/zinc/12/83/01/221128301.db2.gz YREGRQUIFHTJTM-QHCPKHFHSA-N 1 0 382.504 4.004 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc(=O)[nH]c4)C3)C2)cc1 ZINC000011816704 221128558 /nfs/dbraw/zinc/12/85/58/221128558.db2.gz LMRBMILYEDFKQK-XMMPIXPASA-N 1 0 393.531 4.039 50 0 GIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCC(F)(F)F ZINC000011839898 221130598 /nfs/dbraw/zinc/13/05/98/221130598.db2.gz FJUSEHGXHZDUFT-INIZCTEOSA-N 1 0 390.877 4.395 50 0 GIAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCSCC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000011839856 221130834 /nfs/dbraw/zinc/13/08/34/221130834.db2.gz VRNYAHOVYCPFHQ-INIZCTEOSA-N 1 0 392.996 4.095 50 0 GIAARO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](C2CCCCC2)CC1 ZINC000011843213 221131802 /nfs/dbraw/zinc/13/18/02/221131802.db2.gz UECXTSHGBPRBJW-UHFFFAOYSA-N 1 0 380.536 4.424 50 0 GIAARO CCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c1C ZINC000011843152 221131856 /nfs/dbraw/zinc/13/18/56/221131856.db2.gz ULFNIIKSIORRQJ-MRXNPFEDSA-N 1 0 379.426 4.325 50 0 GIAARO OC[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000011844001 221132066 /nfs/dbraw/zinc/13/20/66/221132066.db2.gz JPZRBEGCIGESAD-XMMPIXPASA-N 1 0 376.500 4.278 50 0 GIAARO CCn1cc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c2ccccc21 ZINC000011844513 221132720 /nfs/dbraw/zinc/13/27/20/221132720.db2.gz WIYVCQVWTKQSEP-IBGZPJMESA-N 1 0 377.488 4.466 50 0 GIAARO O=C(NCCC[NH+]1CCCCC1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000011713395 221122894 /nfs/dbraw/zinc/12/28/94/221122894.db2.gz WADWKYCIOAVUTM-UHFFFAOYSA-N 1 0 394.544 4.207 50 0 GIAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000011937978 221138624 /nfs/dbraw/zinc/13/86/24/221138624.db2.gz VYHFZEAEKQWDGW-UHFFFAOYSA-N 1 0 388.471 4.120 50 0 GIAARO Cc1nc(N2CCC[C@@H]([NH2+]Cc3ccccc3F)CC2)nc2ccc(F)cc12 ZINC000011999423 221141721 /nfs/dbraw/zinc/14/17/21/221141721.db2.gz OGHZVNLPOLXUFD-GOSISDBHSA-N 1 0 382.458 4.365 50 0 GIAARO CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012050065 221144455 /nfs/dbraw/zinc/14/44/55/221144455.db2.gz XDENKGIQLJTPEI-HXUWFJFHSA-N 1 0 390.449 4.485 50 0 GIAARO Cc1ccc(C)c(-n2cc(C[N@H+](C)C[C@@H]3COCCO3)c(-c3ccccc3)n2)c1 ZINC000012048926 221145316 /nfs/dbraw/zinc/14/53/16/221145316.db2.gz QUZKNPZXGMWOCU-JOCHJYFZSA-N 1 0 391.515 4.003 50 0 GIAARO CCN(Cc1ccc(COC)o1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012051155 221145522 /nfs/dbraw/zinc/14/55/22/221145522.db2.gz FUOCHNWQEZUGBJ-HXUWFJFHSA-N 1 0 388.527 4.342 50 0 GIAARO COc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)ccc1C ZINC000012073444 221147020 /nfs/dbraw/zinc/14/70/20/221147020.db2.gz XHXDJHNDRGBQPH-JOCHJYFZSA-N 1 0 380.532 4.173 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3ccccc3)CC2)cc1C ZINC000012099655 221150533 /nfs/dbraw/zinc/15/05/33/221150533.db2.gz ZNKPHOZYOLJUPV-QHCPKHFHSA-N 1 0 376.544 4.264 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3C(F)(F)F)C2)c1 ZINC000012112294 221152121 /nfs/dbraw/zinc/15/21/21/221152121.db2.gz ROAVXWPUVWZHHA-INIZCTEOSA-N 1 0 392.421 4.108 50 0 GIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](C3CCSCC3)C2)c(C)c1 ZINC000012298906 221175298 /nfs/dbraw/zinc/17/52/98/221175298.db2.gz PPXXGDZCQVQFMO-QGZVFWFLSA-N 1 0 376.566 4.330 50 0 GIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccncc4)C3)C2)cc1 ZINC000012298790 221175491 /nfs/dbraw/zinc/17/54/91/221175491.db2.gz JBULZYVHZVMSMT-XMMPIXPASA-N 1 0 377.532 4.333 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1)C1CCCC1 ZINC000012201960 221166460 /nfs/dbraw/zinc/16/64/60/221166460.db2.gz JXKDEAJPLGPHRM-JOCHJYFZSA-N 1 0 392.547 4.206 50 0 GIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)Nc3ccccc3)C2)cc1 ZINC000012196823 221166776 /nfs/dbraw/zinc/16/67/76/221166776.db2.gz KCEATMOPFXMNCV-HXUWFJFHSA-N 1 0 381.520 4.114 50 0 GIAARO COc1cccc([C@@H]2CCCCN2Cc2nc(COc3ccccc3)no2)c1 ZINC000012429384 221191745 /nfs/dbraw/zinc/19/17/45/221191745.db2.gz VLUSTIAIGGFHSC-FQEVSTJZSA-N 1 0 379.460 4.384 50 0 GIAARO COc1cc(-c2n[nH]cc2C[N@H+](C)Cc2sccc2C)cc(OC)c1OC ZINC000012433576 221192902 /nfs/dbraw/zinc/19/29/02/221192902.db2.gz RDPSOUDKRJQVCA-UHFFFAOYSA-N 1 0 387.505 4.104 50 0 GIAARO CCOc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)ccc1OC ZINC000012433189 221194085 /nfs/dbraw/zinc/19/40/85/221194085.db2.gz JSJIGTCBKFBWRT-QHCPKHFHSA-N 1 0 387.495 4.050 50 0 GIAARO CCn1ccnc1CN1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012447002 221197160 /nfs/dbraw/zinc/19/71/60/221197160.db2.gz SDLHFSCDEZVDIO-FQEVSTJZSA-N 1 0 386.971 4.291 50 0 GIAARO COCCNC(=O)CCC1CC[NH+](Cc2cccc(-c3ccc(C)o3)c2)CC1 ZINC000012507462 221199880 /nfs/dbraw/zinc/19/98/80/221199880.db2.gz BURAUAPJBASJHH-UHFFFAOYSA-N 1 0 384.520 4.010 50 0 GIAARO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](Nc4ccc(F)cc4)C3)cn2)cc1 ZINC000012571309 221208443 /nfs/dbraw/zinc/20/84/43/221208443.db2.gz RZPGYIXPMKDTMS-NRFANRHFSA-N 1 0 392.478 4.368 50 0 GIAARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000012386668 221187628 /nfs/dbraw/zinc/18/76/28/221187628.db2.gz VZUJNEYSKDMUDH-GOSISDBHSA-N 1 0 378.447 4.477 50 0 GIAARO COc1cccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1OC ZINC000012714827 221221039 /nfs/dbraw/zinc/22/10/39/221221039.db2.gz GLIRBINGVNZWBO-ZDUSSCGKSA-N 1 0 387.430 4.327 50 0 GIAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000012714233 221221198 /nfs/dbraw/zinc/22/11/98/221221198.db2.gz IVVAWYKUESWIAH-DEOSSOPVSA-N 1 0 397.515 4.179 50 0 GIAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012589229 221211541 /nfs/dbraw/zinc/21/15/41/221211541.db2.gz GTGJBHBGLZOKEZ-OAHLLOKOSA-N 1 0 392.906 4.152 50 0 GIAARO O=C(C[C@@H](c1ccccc1)c1ccccc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012592600 221211671 /nfs/dbraw/zinc/21/16/71/221211671.db2.gz WBRUDJMIYKACGP-QFIPXVFZSA-N 1 0 389.474 4.092 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)c1cc(Cl)ccc1F)[NH+]1CCCC1 ZINC000012767274 221227837 /nfs/dbraw/zinc/22/78/37/221227837.db2.gz OSVXTCKXAHCJOF-SFHVURJKSA-N 1 0 376.859 4.055 50 0 GIAARO O=C([C@H](NCc1ccccc1C[NH+]1CCCC1)c1ccccc1)N1CCCCC1 ZINC000012903716 221243992 /nfs/dbraw/zinc/24/39/92/221243992.db2.gz LDJZGMLORUPDSM-XMMPIXPASA-N 1 0 391.559 4.126 50 0 GIAARO CC(C)c1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(C)C)cc1 ZINC000012903249 221244213 /nfs/dbraw/zinc/24/42/13/221244213.db2.gz DQISDSMCHSLFEH-QVKFZJNVSA-N 1 0 394.519 4.294 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000012807524 221234338 /nfs/dbraw/zinc/23/43/38/221234338.db2.gz QGEPJNIMAUQMES-HSZRJFAPSA-N 1 0 390.531 4.004 50 0 GIAARO COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH2+]C(C)(C)C ZINC000012808557 221235112 /nfs/dbraw/zinc/23/51/12/221235112.db2.gz MVTWQIKTTSGZRX-UHFFFAOYSA-N 1 0 380.897 4.182 50 0 GIAARO COc1ccc([C@H](CNC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)[NH+]2CCCC2)cc1 ZINC000012812819 221235811 /nfs/dbraw/zinc/23/58/11/221235811.db2.gz CQSLJXBRRNJIEF-JKSBSHDWSA-N 1 0 394.515 4.147 50 0 GIAARO Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000012812366 221235819 /nfs/dbraw/zinc/23/58/19/221235819.db2.gz FVCRXPZXMUHLKT-GOSISDBHSA-N 1 0 396.560 4.067 50 0 GIAARO Cc1nn(CC(C)C)c2sc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000012812369 221236443 /nfs/dbraw/zinc/23/64/43/221236443.db2.gz FVCRXPZXMUHLKT-SFHVURJKSA-N 1 0 396.560 4.067 50 0 GIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000012995348 221254355 /nfs/dbraw/zinc/25/43/55/221254355.db2.gz ZHPTYQPTENJEKV-FQEVSTJZSA-N 1 0 398.503 4.268 50 0 GIAARO COc1ccc2cc([C@@H](C)C(=O)NCc3ccccc3C[NH+](C)C)ccc2c1 ZINC000012997210 221254515 /nfs/dbraw/zinc/25/45/15/221254515.db2.gz BKPXABJLLHORIT-QGZVFWFLSA-N 1 0 376.500 4.330 50 0 GIAARO Cc1noc2nc(C)cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)c12 ZINC000012912060 221245264 /nfs/dbraw/zinc/24/52/64/221245264.db2.gz NYLAAWLHBPBRDQ-QGZVFWFLSA-N 1 0 398.532 4.104 50 0 GIAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)CC1 ZINC000013321623 221265622 /nfs/dbraw/zinc/26/56/22/221265622.db2.gz VKVPTLBBTLXUQN-UHFFFAOYSA-N 1 0 388.515 4.163 50 0 GIAARO COc1cccc(CC[NH+]2CCC(CNC(=O)Nc3cc(C)cc(C)c3)CC2)c1 ZINC000013363857 221266495 /nfs/dbraw/zinc/26/64/95/221266495.db2.gz RSHJXEMMWXDRHW-UHFFFAOYSA-N 1 0 395.547 4.388 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 ZINC000013369575 221266901 /nfs/dbraw/zinc/26/69/01/221266901.db2.gz UPNUKQUWVLGEOZ-IBGZPJMESA-N 1 0 390.531 4.084 50 0 GIAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCS[C@H]1c1ccccc1F ZINC000014014746 221295692 /nfs/dbraw/zinc/29/56/92/221295692.db2.gz IPFGMDPNIQTVEK-QHCPKHFHSA-N 1 0 398.547 4.354 50 0 GIAARO Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCC(C)CC2)n3C)cc1 ZINC000013815564 221290782 /nfs/dbraw/zinc/29/07/82/221290782.db2.gz DCRALTYGNIFHAC-UHFFFAOYSA-N 1 0 390.531 4.408 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1cccs1 ZINC000014196608 221303707 /nfs/dbraw/zinc/30/37/07/221303707.db2.gz JHKQZCGKVOCKSF-INIZCTEOSA-N 1 0 389.521 4.128 50 0 GIAARO CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000014190450 221304141 /nfs/dbraw/zinc/30/41/41/221304141.db2.gz ASJRDCIZYBWLIU-UHFFFAOYSA-N 1 0 375.513 4.028 50 0 GIAARO CC1(C)CC(NC(=O)COc2ccc(Oc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000014350942 221308900 /nfs/dbraw/zinc/30/89/00/221308900.db2.gz ISHKEPYXEWZDIT-UHFFFAOYSA-N 1 0 382.504 4.283 50 0 GIAARO C[N@@H+]1CCC[C@@H](COc2cccc(CN(C(=O)c3cccs3)C3CC3)c2)C1 ZINC000014963905 221321618 /nfs/dbraw/zinc/32/16/18/221321618.db2.gz DGUFNJYHQORVIP-GOSISDBHSA-N 1 0 384.545 4.274 50 0 GIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000014973365 221322042 /nfs/dbraw/zinc/32/20/42/221322042.db2.gz JABSCELYNYQHTQ-OAQYLSRUSA-N 1 0 391.515 4.285 50 0 GIAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cc3ccccc3s1)CCO2 ZINC000014879540 221317615 /nfs/dbraw/zinc/31/76/15/221317615.db2.gz MLEOYGKUBPRSJH-HSZRJFAPSA-N 1 0 396.556 4.065 50 0 GIAARO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)s1 ZINC000014956227 221320788 /nfs/dbraw/zinc/32/07/88/221320788.db2.gz QNLOMRWTCHGWBJ-KRWDZBQOSA-N 1 0 387.549 4.387 50 0 GIAARO CC[C@H]1CN(C(=O)c2ccc(NCc3ccc(C)s3)nc2)CC[N@@H+]1C(C)C ZINC000014956489 221320974 /nfs/dbraw/zinc/32/09/74/221320974.db2.gz RKTMDALHJSFSIN-SFHVURJKSA-N 1 0 386.565 4.008 50 0 GIAARO CN(C(=O)c1ccc2cccc(F)c2n1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015073073 221331374 /nfs/dbraw/zinc/33/13/74/221331374.db2.gz NKTRGECGUDDAPG-HXUWFJFHSA-N 1 0 391.490 4.153 50 0 GIAARO Cc1ccccc1NC(=O)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015727055 221341342 /nfs/dbraw/zinc/34/13/42/221341342.db2.gz NYGHXMFHMRHRQK-UHFFFAOYSA-N 1 0 378.451 4.039 50 0 GIAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc(Br)cc2)c2ccco2)CC1 ZINC000015860060 221348739 /nfs/dbraw/zinc/34/87/39/221348739.db2.gz KJQKSQQTVPFOSQ-QGZVFWFLSA-N 1 0 391.309 4.245 50 0 GIAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599300 221366569 /nfs/dbraw/zinc/36/65/69/221366569.db2.gz YNOHARVRHTXJIW-DYVFJYSZSA-N 1 0 381.303 4.180 50 0 GIAARO COc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017310957 221384188 /nfs/dbraw/zinc/38/41/88/221384188.db2.gz UJMFKPNYSXAIEL-UHFFFAOYSA-N 1 0 384.483 4.292 50 0 GIAARO CCOc1ccccc1NC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 ZINC000016974016 221374350 /nfs/dbraw/zinc/37/43/50/221374350.db2.gz RNHNSEMSPWNQOQ-UHFFFAOYSA-O 1 0 396.898 4.080 50 0 GIAARO O=C(Nc1ccc(Br)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017079229 221377274 /nfs/dbraw/zinc/37/72/74/221377274.db2.gz UTWIADJWOVEYMP-UHFFFAOYSA-N 1 0 388.309 4.235 50 0 GIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2nc(C)c3c(n2)CCCC3)cc1C ZINC000019146770 221399667 /nfs/dbraw/zinc/39/96/67/221399667.db2.gz UTNSCTFHENJRQH-UHFFFAOYSA-N 1 0 375.520 4.003 50 0 GIAARO CCCc1sc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1CC ZINC000018217110 221390141 /nfs/dbraw/zinc/39/01/41/221390141.db2.gz FSBHXYOOHHZUIN-UHFFFAOYSA-N 1 0 386.561 4.025 50 0 GIAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000019770802 221452490 /nfs/dbraw/zinc/45/24/90/221452490.db2.gz PRJYLLZTFFWDSA-UHFFFAOYSA-N 1 0 388.471 4.399 50 0 GIAARO COc1cccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c1 ZINC000426510040 533551153 /nfs/dbraw/zinc/55/11/53/533551153.db2.gz HNYYINIAHUOVBO-HBMCJLEFSA-N 1 0 375.472 4.362 50 0 GIAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@@H](C)Cc4cccnc4)CC3)c2)n1 ZINC000055090273 132443508 /nfs/dbraw/zinc/44/35/08/132443508.db2.gz BDDDWFBYIKKWMO-SFHVURJKSA-N 1 0 387.531 4.037 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCCc4ccccc43)cc2C)CC1 ZINC000057984408 136154264 /nfs/dbraw/zinc/15/42/64/136154264.db2.gz WMKSDNMXQGUMFV-QFIPXVFZSA-N 1 0 392.547 4.336 50 0 GIAARO COc1ccccc1C1CCN(c2nc(CC[NH3+])nc3sc(C)c(C)c32)CC1 ZINC000065398982 136163886 /nfs/dbraw/zinc/16/38/86/136163886.db2.gz MZXMKNKLOQRAOF-UHFFFAOYSA-N 1 0 396.560 4.202 50 0 GIAARO Clc1ccc(C[N@@H+]2CC[C@@H](C3CCN(c4ncnc5c4CCC5)CC3)C2)cc1 ZINC000072171318 136167495 /nfs/dbraw/zinc/16/74/95/136167495.db2.gz SOZJVGJQTJNNBI-LJQANCHMSA-N 1 0 396.966 4.357 50 0 GIAARO c1cn(Cc2cscn2)c(C2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000095524038 136181543 /nfs/dbraw/zinc/18/15/43/136181543.db2.gz BQVCPZRTFFSLHI-UHFFFAOYSA-N 1 0 375.501 4.320 50 0 GIAARO Cc1cc(N2CCC([NH2+][C@@H](C)c3nccs3)CC2)nc(-c2ccccc2)n1 ZINC000095527902 136181707 /nfs/dbraw/zinc/18/17/07/136181707.db2.gz YPTUZZOWGCFDGD-INIZCTEOSA-N 1 0 379.533 4.228 50 0 GIAARO OCC[C@H]1CN(c2ccnc3c2cccc3C(F)(F)F)CC[N@@H+]1C1CCCC1 ZINC000107015355 136191727 /nfs/dbraw/zinc/19/17/27/136191727.db2.gz WOKORVOSMIFUDZ-INIZCTEOSA-N 1 0 393.453 4.069 50 0 GIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000021174933 221529932 /nfs/dbraw/zinc/52/99/32/221529932.db2.gz HTROWJXVKOXTDV-UHFFFAOYSA-N 1 0 397.519 4.046 50 0 GIAARO CC[NH+](CC)CCCn1c(C)c(C)c2c3nc(-c4ccc(C)cc4)nn3cnc21 ZINC000021801538 221541146 /nfs/dbraw/zinc/54/11/46/221541146.db2.gz NKMNCCOMSXRSMD-UHFFFAOYSA-N 1 0 390.535 4.403 50 0 GIAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000023236942 221590125 /nfs/dbraw/zinc/59/01/25/221590125.db2.gz IMMLFTWJVWRZOK-UHFFFAOYSA-N 1 0 388.515 4.293 50 0 GIAARO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027664279 221658370 /nfs/dbraw/zinc/65/83/70/221658370.db2.gz JHFKUPIGYPUIBM-NRFANRHFSA-N 1 0 386.923 4.289 50 0 GIAARO O=C(c1sc2ncccc2c1-n1cccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033059809 221768396 /nfs/dbraw/zinc/76/83/96/221768396.db2.gz RCYXOEHLCXWVPA-UHFFFAOYSA-N 1 0 394.544 4.178 50 0 GIAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000033129624 221774657 /nfs/dbraw/zinc/77/46/57/221774657.db2.gz JNHTYXITEQUNJF-UHFFFAOYSA-N 1 0 390.487 4.009 50 0 GIAARO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000040146511 221913128 /nfs/dbraw/zinc/91/31/28/221913128.db2.gz NADODHVYEKMONE-UHFFFAOYSA-N 1 0 378.419 4.261 50 0 GIAARO CCOc1cc(C[NH2+]CCCCO)ccc1OCc1c(F)cccc1Cl ZINC000040744290 221929854 /nfs/dbraw/zinc/92/98/54/221929854.db2.gz BJAPWJTVYSNBPX-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO CC1(C)CC(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)CC(C)(C)[NH2+]1 ZINC000057140406 222030119 /nfs/dbraw/zinc/03/01/19/222030119.db2.gz RVQSPJXVEWGXMI-UHFFFAOYSA-N 1 0 396.531 4.133 50 0 GIAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000055154482 222015769 /nfs/dbraw/zinc/01/57/69/222015769.db2.gz XNRLGFSWQLCMPX-SFHVURJKSA-N 1 0 395.565 4.172 50 0 GIAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000055242617 222018935 /nfs/dbraw/zinc/01/89/35/222018935.db2.gz YJBTXFWAIRYWDA-JOCHJYFZSA-N 1 0 392.543 4.255 50 0 GIAARO O=C1CC[N@@H+](Cc2cccc3cccnc32)CCN1Cc1cccc(Cl)c1 ZINC000055569008 222022049 /nfs/dbraw/zinc/02/20/49/222022049.db2.gz HFFCNIKHNQRMFS-UHFFFAOYSA-N 1 0 379.891 4.123 50 0 GIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)CC1 ZINC000058156823 222040521 /nfs/dbraw/zinc/04/05/21/222040521.db2.gz HUVKOHLCXZTWQB-UHFFFAOYSA-N 1 0 388.515 4.016 50 0 GIAARO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000058191315 222043719 /nfs/dbraw/zinc/04/37/19/222043719.db2.gz ZOKPMYWOVJYODT-UHFFFAOYSA-N 1 0 391.515 4.385 50 0 GIAARO O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000058399791 222052313 /nfs/dbraw/zinc/05/23/13/222052313.db2.gz TYBSREORPPYHTB-LJQANCHMSA-N 1 0 397.569 4.367 50 0 GIAARO O=C(CCCc1nc2ccccc2s1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058406557 222052617 /nfs/dbraw/zinc/05/26/17/222052617.db2.gz UZLFBZDKEJFGTB-UHFFFAOYSA-N 1 0 385.577 4.390 50 0 GIAARO CC[NH+](CC)Cc1cccc(NC(=O)c2cnc3c(cnn3CC(C)C)c2)c1 ZINC000060272690 222059460 /nfs/dbraw/zinc/05/94/60/222059460.db2.gz SBWBCDQWCSLGTF-UHFFFAOYSA-N 1 0 379.508 4.181 50 0 GIAARO CC[NH+](CC)Cc1cccc(NC(=O)Cn2c3ccccc3nc2C2CC2)c1 ZINC000060342565 222060043 /nfs/dbraw/zinc/06/00/43/222060043.db2.gz IZHLMMIVWNQJKX-UHFFFAOYSA-N 1 0 376.504 4.394 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000064473014 222072346 /nfs/dbraw/zinc/07/23/46/222072346.db2.gz BVRNNLHCPIEPOM-UHFFFAOYSA-N 1 0 398.938 4.200 50 0 GIAARO C[C@@H]1CCC[N@H+](CCCNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)C1 ZINC000064676923 222079851 /nfs/dbraw/zinc/07/98/51/222079851.db2.gz VBEMISLAEQGBCT-MRXNPFEDSA-N 1 0 395.482 4.472 50 0 GIAARO O=C(NCc1cccc(C(F)(F)F)c1)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818091 222083755 /nfs/dbraw/zinc/08/37/55/222083755.db2.gz PWXQQLFWGUSPKZ-UHFFFAOYSA-N 1 0 392.396 4.293 50 0 GIAARO O=C(CCc1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000065515517 222133380 /nfs/dbraw/zinc/13/33/80/222133380.db2.gz VCKVKTRJRYPHBS-UHFFFAOYSA-N 1 0 380.916 4.254 50 0 GIAARO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000065553186 222133960 /nfs/dbraw/zinc/13/39/60/222133960.db2.gz VGTQJKPXNFYWLX-UHFFFAOYSA-N 1 0 387.483 4.496 50 0 GIAARO CCCC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000065592944 222134588 /nfs/dbraw/zinc/13/45/88/222134588.db2.gz HXVLFSQZFATZRJ-CQSZACIVSA-N 1 0 399.398 4.310 50 0 GIAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000067472930 222146755 /nfs/dbraw/zinc/14/67/55/222146755.db2.gz HIXZRHOGRNZVTH-UHFFFAOYSA-N 1 0 390.487 4.471 50 0 GIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H](c1ccccc1)C(F)(F)F ZINC000069417674 222172643 /nfs/dbraw/zinc/17/26/43/222172643.db2.gz VHQRCIKTLLEJIN-RDJZCZTQSA-N 1 0 381.398 4.019 50 0 GIAARO Cc1cc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)on1 ZINC000069951090 222174885 /nfs/dbraw/zinc/17/48/85/222174885.db2.gz XAAWULBFBQPLBX-QFIPXVFZSA-N 1 0 381.520 4.280 50 0 GIAARO OCCOc1ccccc1C[N@@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000071479534 222184898 /nfs/dbraw/zinc/18/48/98/222184898.db2.gz MJNWGEKTGZOYMO-GOSISDBHSA-N 1 0 375.459 4.181 50 0 GIAARO Cc1cc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071497700 222185438 /nfs/dbraw/zinc/18/54/38/222185438.db2.gz YOYPYXTVQKLYLE-QFIPXVFZSA-N 1 0 383.511 4.210 50 0 GIAARO CC(=O)[C@]1(C)[C@@H](c2ccccc2)c2c(CC[NH+](C)C)c3ccccc3n2[C@@]1(C)O ZINC000071769172 222195324 /nfs/dbraw/zinc/19/53/24/222195324.db2.gz BHTWITDITMMLFR-CAOCKLPOSA-N 1 0 390.527 4.151 50 0 GIAARO Fc1ccccc1C[N@@H+]1CCCN(Cc2cnc(-c3cccs3)nc2)CC1 ZINC000072167189 222215694 /nfs/dbraw/zinc/21/56/94/222215694.db2.gz QWGDDEIGJBDGRB-UHFFFAOYSA-N 1 0 382.508 4.052 50 0 GIAARO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000072305261 222222086 /nfs/dbraw/zinc/22/20/86/222222086.db2.gz HSJTYKXMCBXAAS-LSDHHAIUSA-N 1 0 385.371 4.302 50 0 GIAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[NH+]2CC(N3CCOCC3)C2)c1 ZINC000072430111 222259172 /nfs/dbraw/zinc/25/91/72/222259172.db2.gz KNWGGJRBCDTFAR-UHFFFAOYSA-N 1 0 387.527 4.035 50 0 GIAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@]4(CN(C)C(=O)O4)C3)ccc21 ZINC000072431305 222261744 /nfs/dbraw/zinc/26/17/44/222261744.db2.gz MYSQAGGPGNDOAD-HSZRJFAPSA-N 1 0 377.488 4.231 50 0 GIAARO COc1ccc(OC)c2nc(-c3ccc(Cl)cc3)c(C[N@@H+]3CC[C@H](O)C3)cc12 ZINC000072462608 222263252 /nfs/dbraw/zinc/26/32/52/222263252.db2.gz XLKJVXFLNNBHDT-KRWDZBQOSA-N 1 0 398.890 4.139 50 0 GIAARO Cc1cccc(-n2cc(CN(C)[C@@H]3CC[N@H+](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072470006 222263744 /nfs/dbraw/zinc/26/37/44/222263744.db2.gz GRPWEGBQWMIHTR-JOCHJYFZSA-N 1 0 378.495 4.123 50 0 GIAARO COc1ccccc1Cc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072469646 222263876 /nfs/dbraw/zinc/26/38/76/222263876.db2.gz MWRUWMQLARTDPN-UHFFFAOYSA-N 1 0 393.918 4.399 50 0 GIAARO CCOc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1 ZINC000077171675 222274034 /nfs/dbraw/zinc/27/40/34/222274034.db2.gz KGJWFRRSOZZQPY-NRFANRHFSA-N 1 0 380.492 4.001 50 0 GIAARO COc1cccc(NC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000079107180 222303820 /nfs/dbraw/zinc/30/38/20/222303820.db2.gz QQLXVIXTYUVVME-UHFFFAOYSA-N 1 0 387.911 4.479 50 0 GIAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](CCCc2ccccc2)CC3)c1 ZINC000095528447 222352402 /nfs/dbraw/zinc/35/24/02/222352402.db2.gz FUNKYNWQAVVBEH-UHFFFAOYSA-N 1 0 392.543 4.143 50 0 GIAARO O=C(C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H](c1nccs1)c1ccccc1 ZINC000095941222 222362048 /nfs/dbraw/zinc/36/20/48/222362048.db2.gz JEPWDFXXBQMFNC-UXLLHSPISA-N 1 0 397.466 4.059 50 0 GIAARO Cc1ccc2oc(C(=O)NCC3([NH2+][C@@H](C)c4ccccc4)CCOCC3)cc2c1 ZINC000095959164 222363768 /nfs/dbraw/zinc/36/37/68/222363768.db2.gz HKYLRVFLPPNXNI-SFHVURJKSA-N 1 0 392.499 4.371 50 0 GIAARO CCCOc1c(Cl)cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1OCC ZINC000095963629 222366396 /nfs/dbraw/zinc/36/63/96/222366396.db2.gz ISRRMDUYHKKJFF-UHFFFAOYSA-N 1 0 391.899 4.236 50 0 GIAARO COc1ccccc1CNC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426474472 534089202 /nfs/dbraw/zinc/08/92/02/534089202.db2.gz XRGDYUGNEYCZRA-NRFANRHFSA-N 1 0 381.520 4.194 50 0 GIAARO Cc1nc([C@@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CCCC2)c(C)s1 ZINC000426443124 534532840 /nfs/dbraw/zinc/53/28/40/534532840.db2.gz GDEUUZYTHMLBTH-OAHLLOKOSA-N 1 0 378.586 4.261 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000000804950 521699024 /nfs/dbraw/zinc/69/90/24/521699024.db2.gz NGVXJWXOIMMIIH-UHFFFAOYSA-N 1 0 378.303 4.388 50 0 GIAARO Cc1ccc(N[C@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)cc1C ZINC000019220334 525321299 /nfs/dbraw/zinc/32/12/99/525321299.db2.gz GPMDVDZQLCUJMZ-QHCPKHFHSA-N 1 0 378.564 4.239 50 0 GIAARO Cc1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)sc2nc(C)cc(C)c12 ZINC000032729986 525624031 /nfs/dbraw/zinc/62/40/31/525624031.db2.gz ZVWULAYJJIRWEZ-QGZVFWFLSA-N 1 0 385.508 4.393 50 0 GIAARO CC1(C)C[C@@H](C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)CCO1 ZINC000072440209 535363022 /nfs/dbraw/zinc/36/30/22/535363022.db2.gz FSLDMZWBLLWAGP-IBGZPJMESA-N 1 0 394.563 4.270 50 0 GIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000096544688 536420975 /nfs/dbraw/zinc/42/09/75/536420975.db2.gz NUGCVVWWLICSCL-WTKPLQERSA-N 1 0 390.314 4.397 50 0 GIAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019794666 570219914 /nfs/dbraw/zinc/21/99/14/570219914.db2.gz IHZHJTAEUAZBHR-SFHVURJKSA-N 1 0 381.499 4.313 50 0 GIAARO Cc1cccc(NC(=O)CCN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019900010 570228989 /nfs/dbraw/zinc/22/89/89/570228989.db2.gz YJYIHKNDTGPAAU-UHFFFAOYSA-N 1 0 387.527 4.295 50 0 GIAARO COCc1ccccc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048325960 570236548 /nfs/dbraw/zinc/23/65/48/570236548.db2.gz YMIZHDPNFSGQBK-OALUTQOASA-N 1 0 380.532 4.241 50 0 GIAARO Cc1ccc(C[N@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)o1 ZINC000006082993 570238955 /nfs/dbraw/zinc/23/89/55/570238955.db2.gz ALFNPRBMXJTCFF-QPPBQGQZSA-N 1 0 379.500 4.495 50 0 GIAARO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)cnn1-c1ccc(F)cc1F ZINC000020118362 570241323 /nfs/dbraw/zinc/24/13/23/570241323.db2.gz VMQALGXQEGWSKD-ZDUSSCGKSA-N 1 0 385.414 4.081 50 0 GIAARO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)cnn1-c1ccc(F)cc1F ZINC000020118360 570241355 /nfs/dbraw/zinc/24/13/55/570241355.db2.gz VMQALGXQEGWSKD-CYBMUJFWSA-N 1 0 385.414 4.081 50 0 GIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000048354751 570242136 /nfs/dbraw/zinc/24/21/36/570242136.db2.gz JTJDGMPCTMUFSP-NRFANRHFSA-N 1 0 382.483 4.148 50 0 GIAARO CCCn1ncc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1C ZINC000020203673 570247532 /nfs/dbraw/zinc/24/75/32/570247532.db2.gz OECUMCAFNRGZMB-OAQYLSRUSA-N 1 0 386.559 4.127 50 0 GIAARO CCN(CCNC(=O)c1ccc([C@@H](C)[NH+]2CCCCC2)o1)c1cccc(C)c1 ZINC000097756508 570252933 /nfs/dbraw/zinc/25/29/33/570252933.db2.gz UXUCNYXXBAEGIT-LJQANCHMSA-N 1 0 383.536 4.391 50 0 GIAARO CCN1CC[NH+](CCCCOc2c(Cl)cc(C)cc2Br)CC1 ZINC000020390232 570253947 /nfs/dbraw/zinc/25/39/47/570253947.db2.gz TURZDMNUWWBAEU-UHFFFAOYSA-N 1 0 389.765 4.207 50 0 GIAARO FC(F)(F)c1cccc(OCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020482075 570261911 /nfs/dbraw/zinc/26/19/11/570261911.db2.gz LMWWEPAWBSJXMQ-UHFFFAOYSA-N 1 0 378.438 4.292 50 0 GIAARO Cc1ccc(CC[NH2+]C2CCN(c3cccc(-c4ccnc(C)n4)c3)CC2)o1 ZINC000020514994 570265043 /nfs/dbraw/zinc/26/50/43/570265043.db2.gz QOAYJLWXSJJJLG-UHFFFAOYSA-N 1 0 376.504 4.155 50 0 GIAARO OCC[C@H]1C[N@H+](Cc2cccc(-c3ccco3)c2)CCN1Cc1ccsc1 ZINC000020534769 570265953 /nfs/dbraw/zinc/26/59/53/570265953.db2.gz RWTUMMZKIFWLHV-NRFANRHFSA-N 1 0 382.529 4.077 50 0 GIAARO C[N@H+](CCCNc1ncnc2onc(-c3ccc(F)cc3)c21)Cc1ccccc1 ZINC000020574440 570268899 /nfs/dbraw/zinc/26/88/99/570268899.db2.gz ONSNRHYFVCPQHS-UHFFFAOYSA-N 1 0 391.450 4.358 50 0 GIAARO CN1CC[NH+](CC[C@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)CC1 ZINC000020588831 570269199 /nfs/dbraw/zinc/26/91/99/570269199.db2.gz ITHWYVODEWLLHV-FQEVSTJZSA-N 1 0 384.486 4.170 50 0 GIAARO COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)C[C@H](O)c3ccccc3)ccc2c1 ZINC000020780756 570280318 /nfs/dbraw/zinc/28/03/18/570280318.db2.gz INKIPIBMXVCCEI-QHCPKHFHSA-N 1 0 387.483 4.404 50 0 GIAARO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCN2CC)cc1OCC ZINC000020968199 570285752 /nfs/dbraw/zinc/28/57/52/570285752.db2.gz CXPKESNPZNJJAE-INIZCTEOSA-N 1 0 399.373 4.211 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000020998398 570286920 /nfs/dbraw/zinc/28/69/20/570286920.db2.gz YHKPBUWFQHVVFJ-QFIPXVFZSA-N 1 0 378.495 4.312 50 0 GIAARO OC1(c2ccc(Br)cc2)CCN(Cc2c(F)cccc2F)CC1 ZINC000002498204 570288487 /nfs/dbraw/zinc/28/84/87/570288487.db2.gz CBVJRZRUJNOPRV-UHFFFAOYSA-N 1 0 382.248 4.211 50 0 GIAARO CNC(=O)[C@@H]1CC[N@H+](Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000215418430 570288699 /nfs/dbraw/zinc/28/86/99/570288699.db2.gz JTPJTZNARPFZIF-OAHLLOKOSA-N 1 0 378.394 4.066 50 0 GIAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1ccc(F)c(Cl)c1 ZINC000002515241 570289120 /nfs/dbraw/zinc/28/91/20/570289120.db2.gz HHFMWVIRDILBNT-UHFFFAOYSA-N 1 0 389.854 4.049 50 0 GIAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1ccc(Cl)cc1F ZINC000002515250 570289317 /nfs/dbraw/zinc/28/93/17/570289317.db2.gz VBRCNPXIRIDCBH-UHFFFAOYSA-N 1 0 389.854 4.049 50 0 GIAARO Cc1cccc2c1cc(C(=O)NCC[N@@H+]1CCC[C@@H](c3ccccc3)C1)n2C ZINC000216066978 570295533 /nfs/dbraw/zinc/29/55/33/570295533.db2.gz XCTOGMGHWQIHSQ-HXUWFJFHSA-N 1 0 375.516 4.096 50 0 GIAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000034683022 570300830 /nfs/dbraw/zinc/30/08/30/570300830.db2.gz JIKRFIDJZMMIHA-UHFFFAOYSA-N 1 0 396.531 4.420 50 0 GIAARO C[NH+](C)CCN[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000022039581 570303119 /nfs/dbraw/zinc/30/31/19/570303119.db2.gz ZMCCXUOTSABWOS-KRWDZBQOSA-N 1 0 399.844 4.190 50 0 GIAARO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)c1OCC ZINC000022076026 570305223 /nfs/dbraw/zinc/30/52/23/570305223.db2.gz FCMGNSJCMFHCMU-KRWDZBQOSA-N 1 0 394.309 4.070 50 0 GIAARO COc1cc(OC)cc([C@@H](Nc2nc3ccccc3s2)c2nccn2C)c1 ZINC000022015753 570320005 /nfs/dbraw/zinc/32/00/05/570320005.db2.gz LDOCPLFFRKAKSK-GOSISDBHSA-N 1 0 380.473 4.249 50 0 GIAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000237096556 570328154 /nfs/dbraw/zinc/32/81/54/570328154.db2.gz ZSHVZFHGBOTGGP-MRXNPFEDSA-N 1 0 393.462 4.219 50 0 GIAARO C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000022793284 570328254 /nfs/dbraw/zinc/32/82/54/570328254.db2.gz GUNZLIHKKYTFCQ-UGSOOPFHSA-N 1 0 380.319 4.213 50 0 GIAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](C[C@H](O)c1ccccc1)CC2 ZINC000035399961 570350522 /nfs/dbraw/zinc/35/05/22/570350522.db2.gz FJFFCYJYGDSGJR-CVDCTZTESA-N 1 0 395.524 4.446 50 0 GIAARO O=C(NCC1(c2cccc(F)c2)CCCC1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000219291851 570351710 /nfs/dbraw/zinc/35/17/10/570351710.db2.gz GUMNIGMCEVRWKX-GOSISDBHSA-N 1 0 384.495 4.259 50 0 GIAARO COc1cccc(C[N@H+](C)C2CCN(c3cccc(-c4cc[nH]n4)c3)CC2)c1 ZINC000023478239 570363127 /nfs/dbraw/zinc/36/31/27/570363127.db2.gz FSARRHFXKUDUNO-UHFFFAOYSA-N 1 0 376.504 4.186 50 0 GIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+]([C@@H](C)Cc2cccnc2)CC1 ZINC000023478221 570363227 /nfs/dbraw/zinc/36/32/27/570363227.db2.gz NTOAAHCDTIBVRJ-FQEVSTJZSA-N 1 0 380.532 4.291 50 0 GIAARO CCC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)c3ccco3)cc2)C2CC2)CC1 ZINC000004241107 570363827 /nfs/dbraw/zinc/36/38/27/570363827.db2.gz URSWILNGNZZYFX-UHFFFAOYSA-N 1 0 395.503 4.011 50 0 GIAARO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738205 570371161 /nfs/dbraw/zinc/37/11/61/570371161.db2.gz LAUCCHHPDACVPK-FQEVSTJZSA-N 1 0 375.472 4.217 50 0 GIAARO COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000022766953 570376522 /nfs/dbraw/zinc/37/65/22/570376522.db2.gz WTUMZCIYHAPMHF-MRXNPFEDSA-N 1 0 379.913 4.369 50 0 GIAARO COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CC[NH+](C(C)C)CC1 ZINC000004950128 570379747 /nfs/dbraw/zinc/37/97/47/570379747.db2.gz MRMCXCPEGZCYLD-NRFANRHFSA-N 1 0 391.515 4.439 50 0 GIAARO CCCCc1nn2c(nc(C[N@H+](CCC)Cc3ccc(C)cc3)cc2=O)s1 ZINC000035509800 570382287 /nfs/dbraw/zinc/38/22/87/570382287.db2.gz GFAJKWATXSUVGU-UHFFFAOYSA-N 1 0 384.549 4.214 50 0 GIAARO O=C(C(c1ccccc1)c1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090609011 570384677 /nfs/dbraw/zinc/38/46/77/570384677.db2.gz PEAJOSZVAOYTDE-QFIPXVFZSA-N 1 0 394.584 4.248 50 0 GIAARO Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cn2)n1 ZINC000024588016 570386788 /nfs/dbraw/zinc/38/67/88/570386788.db2.gz IGGAPOMJBMATLS-UHFFFAOYSA-N 1 0 389.503 4.122 50 0 GIAARO CC[NH2+]CCC(=O)N1c2ccccc2Sc2ccc(NC(=O)OCC)cc21 ZINC000004973966 570387040 /nfs/dbraw/zinc/38/70/40/570387040.db2.gz BEVMNQRSBAJWKV-UHFFFAOYSA-N 1 0 385.489 4.384 50 0 GIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000004689617 570393509 /nfs/dbraw/zinc/39/35/09/570393509.db2.gz WUBLGOGMJUFGTM-HXUWFJFHSA-N 1 0 383.488 4.049 50 0 GIAARO O=C(NC[C@H]1CCCO1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004699828 570394672 /nfs/dbraw/zinc/39/46/72/570394672.db2.gz PHJYKXXIZPYXOQ-XMMPIXPASA-N 1 0 392.543 4.050 50 0 GIAARO COc1ccccc1C(=O)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000004740874 570401146 /nfs/dbraw/zinc/40/11/46/570401146.db2.gz KTUDFWVRHCCUET-UHFFFAOYSA-N 1 0 378.516 4.179 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)C1 ZINC000005035021 570403639 /nfs/dbraw/zinc/40/36/39/570403639.db2.gz IOZPOLXFWTYGRT-HZPDHXFCSA-N 1 0 399.966 4.475 50 0 GIAARO CCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000005043286 570405199 /nfs/dbraw/zinc/40/51/99/570405199.db2.gz MDAMIDFBCQDISQ-UHFFFAOYSA-N 1 0 389.927 4.432 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1cccnc1Oc1ccccc1)c1cccc(F)c1 ZINC000025382880 570412518 /nfs/dbraw/zinc/41/25/18/570412518.db2.gz NYXOFULRVNWMTE-HXUWFJFHSA-N 1 0 379.435 4.046 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](CC)CO)c(Br)cc1OC1CCCC1 ZINC000004858081 570413070 /nfs/dbraw/zinc/41/30/70/570413070.db2.gz HOZJBPYXIRRXEK-AWEZNQCLSA-N 1 0 386.330 4.030 50 0 GIAARO CC(C)(CNC(=O)c1ccccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000025460702 570414367 /nfs/dbraw/zinc/41/43/67/570414367.db2.gz BEBBSJLAERDMFJ-UHFFFAOYSA-N 1 0 387.321 4.016 50 0 GIAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(Cl)s3)nc2c1 ZINC000005121513 570421378 /nfs/dbraw/zinc/42/13/78/570421378.db2.gz LYKDULLZIBUYLS-UHFFFAOYSA-N 1 0 395.937 4.228 50 0 GIAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)CCc3ccccc3)nc2c1C ZINC000005121569 570421420 /nfs/dbraw/zinc/42/14/20/570421420.db2.gz YUONGNWAAGXUBX-UHFFFAOYSA-N 1 0 381.545 4.441 50 0 GIAARO CC[NH+](CC)CCN(C(=O)Cc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000005121874 570421816 /nfs/dbraw/zinc/42/18/16/570421816.db2.gz BHYPPQCIWYJLNI-UHFFFAOYSA-N 1 0 385.508 4.353 50 0 GIAARO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000026316327 570424478 /nfs/dbraw/zinc/42/44/78/570424478.db2.gz ZACRWVSCNZTRDW-ZDUSSCGKSA-N 1 0 377.868 4.369 50 0 GIAARO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000239284700 570428835 /nfs/dbraw/zinc/42/88/35/570428835.db2.gz BXJKCGCJXLNCFG-XXBNENTESA-N 1 0 387.527 4.456 50 0 GIAARO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000026922360 570430019 /nfs/dbraw/zinc/43/00/19/570430019.db2.gz TZBZWVDSFKYYRC-CQSZACIVSA-N 1 0 395.286 4.094 50 0 GIAARO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000241965556 570431774 /nfs/dbraw/zinc/43/17/74/570431774.db2.gz UTUASHKNRICHSN-CTNGQTDRSA-N 1 0 397.515 4.158 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1sccc1-c1ccccc1 ZINC000053989968 570436444 /nfs/dbraw/zinc/43/64/44/570436444.db2.gz HTJWMCBHCVBETK-UHFFFAOYSA-N 1 0 377.513 4.205 50 0 GIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1ccccc1Br ZINC000027584334 570436743 /nfs/dbraw/zinc/43/67/43/570436743.db2.gz MVAIJUGNWVMOJW-MRXNPFEDSA-N 1 0 393.350 4.468 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027584483 570436958 /nfs/dbraw/zinc/43/69/58/570436958.db2.gz YWQFTEVLWWUEFJ-QHCPKHFHSA-N 1 0 380.532 4.416 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)[NH+]2CCCCCC2)cc1 ZINC000027741355 570440619 /nfs/dbraw/zinc/44/06/19/570440619.db2.gz FYKUARNTNXVGLU-JOCHJYFZSA-N 1 0 380.532 4.416 50 0 GIAARO CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000027746352 570441769 /nfs/dbraw/zinc/44/17/69/570441769.db2.gz WBEURWKAHMHHKO-JOCHJYFZSA-N 1 0 396.531 4.441 50 0 GIAARO COc1ccccc1N1CC[NH+]([C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000006235506 570472932 /nfs/dbraw/zinc/47/29/32/570472932.db2.gz CUFKSDXCOVGSBG-INIZCTEOSA-N 1 0 378.438 4.467 50 0 GIAARO [NH3+]Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000252484248 570475140 /nfs/dbraw/zinc/47/51/40/570475140.db2.gz FSWHJAKALSWGGS-UHFFFAOYSA-N 1 0 379.847 4.303 50 0 GIAARO COc1ccc(OC)c(C[NH2+]C[C@@](C)(O)C(c2ccccc2)c2ccccc2)c1 ZINC000072289923 570482951 /nfs/dbraw/zinc/48/29/51/570482951.db2.gz CAYMXCRAFXFJRN-RUZDIDTESA-N 1 0 391.511 4.377 50 0 GIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000030630156 570492723 /nfs/dbraw/zinc/49/27/23/570492723.db2.gz GWTQFYFMOZOGID-KRWDZBQOSA-N 1 0 375.472 4.470 50 0 GIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(OCc3ccccn3)c2)c1 ZINC000030630147 570492899 /nfs/dbraw/zinc/49/28/99/570492899.db2.gz FAZHWXVIGPBPDJ-QGZVFWFLSA-N 1 0 375.472 4.470 50 0 GIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cccc(Cn2ccnc2C)c1 ZINC000030902717 570501045 /nfs/dbraw/zinc/50/10/45/570501045.db2.gz BNKHOURHKXGTSI-UHFFFAOYSA-N 1 0 399.542 4.391 50 0 GIAARO O=C(c1ccccc1F)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000072304632 570515440 /nfs/dbraw/zinc/51/54/40/570515440.db2.gz FNXUXNWKVHFTRC-QGZVFWFLSA-N 1 0 394.412 4.352 50 0 GIAARO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2Cc3ccccc3S2)c2cccs2)CC1 ZINC000022681488 570518961 /nfs/dbraw/zinc/51/89/61/570518961.db2.gz WUVUZYDPPBWKDP-XLIONFOSSA-N 1 0 386.586 4.354 50 0 GIAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccs2)Cc2ccccc2)cc1 ZINC000036103329 570540261 /nfs/dbraw/zinc/54/02/61/570540261.db2.gz SIWDHDQMIIEUDM-LJQANCHMSA-N 1 0 383.513 4.199 50 0 GIAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCC(C)C)c1 ZINC000036103926 570540666 /nfs/dbraw/zinc/54/06/66/570540666.db2.gz WWKKHIVRGNJVLK-JOCHJYFZSA-N 1 0 399.531 4.068 50 0 GIAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)Cc2ccccc2C)cc1 ZINC000036104436 570541584 /nfs/dbraw/zinc/54/15/84/570541584.db2.gz GGHBBHSFQHSMHJ-HSZRJFAPSA-N 1 0 391.511 4.446 50 0 GIAARO C[C@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000225411731 570570898 /nfs/dbraw/zinc/57/08/98/570570898.db2.gz ZQGZUMOMMCYHAA-JTSKRJEESA-N 1 0 394.519 4.016 50 0 GIAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000011936577 570593945 /nfs/dbraw/zinc/59/39/45/570593945.db2.gz TVSAAKVHZYTNPT-KRWDZBQOSA-N 1 0 375.428 4.143 50 0 GIAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)c(C)n1 ZINC000012056797 570602653 /nfs/dbraw/zinc/60/26/53/570602653.db2.gz HCVFALUDAUIMPA-OAQYLSRUSA-N 1 0 391.515 4.468 50 0 GIAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3Cl)[N@@H+]3CCC[C@@]23C1=O ZINC000012091567 570607782 /nfs/dbraw/zinc/60/77/82/570607782.db2.gz HIQNDQKBLITKHM-NYDSKATKSA-N 1 0 396.918 4.287 50 0 GIAARO COc1cc(Br)cc(C[NH2+]C[C@H](O)c2ccccc2)c1OC(C)C ZINC000040728553 570607807 /nfs/dbraw/zinc/60/78/07/570607807.db2.gz HLINFTAAABXYPV-KRWDZBQOSA-N 1 0 394.309 4.068 50 0 GIAARO Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCCCO)cc1 ZINC000040744157 570613604 /nfs/dbraw/zinc/61/36/04/570613604.db2.gz OZXTWKYQOMWTOR-UHFFFAOYSA-N 1 0 378.310 4.199 50 0 GIAARO C[C@H](c1nc2ccccc2n1CC(=O)N1CCCCCC1)[NH+]1CCCCCC1 ZINC000032999849 570617015 /nfs/dbraw/zinc/61/70/15/570617015.db2.gz QJFFKGOVJBHDDG-LJQANCHMSA-N 1 0 382.552 4.376 50 0 GIAARO CC[NH+]1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005501062 570619114 /nfs/dbraw/zinc/61/91/14/570619114.db2.gz PRDYZADNQOQMSZ-QFIPXVFZSA-N 1 0 391.515 4.359 50 0 GIAARO COc1ccc(C2=NN(C(=O)CC[NH+]3CCCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000005526909 570625374 /nfs/dbraw/zinc/62/53/74/570625374.db2.gz LNKSHVAGNISWHA-QHCPKHFHSA-N 1 0 391.515 4.249 50 0 GIAARO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cccn2C)CC1 ZINC000036341932 570625898 /nfs/dbraw/zinc/62/58/98/570625898.db2.gz QMDOQLNDFMFCRT-NRFANRHFSA-N 1 0 398.938 4.088 50 0 GIAARO COc1ccccc1[C@@H]1CC(c2cc(C)ccc2C)=NN1C(=O)C[N@H+](C)C(C)C ZINC000036345367 570627420 /nfs/dbraw/zinc/62/74/20/570627420.db2.gz UYDUZYRJZVDBKW-QFIPXVFZSA-N 1 0 393.531 4.330 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cc(C)ccc2C)C[C@@H]1c1ccc(OC)cc1 ZINC000036345134 570627467 /nfs/dbraw/zinc/62/74/67/570627467.db2.gz XJQCNEHRGGOJOT-HSZRJFAPSA-N 1 0 393.531 4.332 50 0 GIAARO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC000036345148 570627525 /nfs/dbraw/zinc/62/75/25/570627525.db2.gz JTDMPCAZHYDMLX-HSZRJFAPSA-N 1 0 393.531 4.330 50 0 GIAARO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC000036379467 570648515 /nfs/dbraw/zinc/64/85/15/570648515.db2.gz SPRHKIJSYCZQDV-JTHBVZDNSA-N 1 0 390.483 4.007 50 0 GIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000006870780 570664210 /nfs/dbraw/zinc/66/42/10/570664210.db2.gz SDEDZPKGPMPZOG-PKTZIBPZSA-N 1 0 396.531 4.078 50 0 GIAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000055054747 570680534 /nfs/dbraw/zinc/68/05/34/570680534.db2.gz ICHGLWRIHILTNB-OAHLLOKOSA-N 1 0 389.377 4.337 50 0 GIAARO CCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)nc3c(Cl)cccc23)CC1 ZINC000055058927 570680572 /nfs/dbraw/zinc/68/05/72/570680572.db2.gz YZXVVWLNWHVZCS-UHFFFAOYSA-N 1 0 394.906 4.118 50 0 GIAARO Cc1csc(N2CC[NH+]([C@H](c3ccc(Cl)cc3)C3CCOCC3)CC2)n1 ZINC000240555645 570685050 /nfs/dbraw/zinc/68/50/50/570685050.db2.gz GWWJLBPTONSPEG-LJQANCHMSA-N 1 0 391.968 4.395 50 0 GIAARO COc1ccc([C@@H]2C[C@H](C)N([C@H](C)c3ncc(Br)cn3)C2)cc1 ZINC000241926433 570688025 /nfs/dbraw/zinc/68/80/25/570688025.db2.gz UGEDXQCAURLROA-GZBFAFLISA-N 1 0 376.298 4.187 50 0 GIAARO C[NH+](C)CCN(C(=O)c1ccc(F)cc1)c1nc2ccc(Cl)cc2s1 ZINC000004359179 570700106 /nfs/dbraw/zinc/70/01/06/570700106.db2.gz CLJWSXLONNOGLU-UHFFFAOYSA-N 1 0 377.872 4.297 50 0 GIAARO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000247720469 570715526 /nfs/dbraw/zinc/71/55/26/570715526.db2.gz ABMIQOSLPJOBGB-GOSISDBHSA-N 1 0 376.504 4.041 50 0 GIAARO COCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000247830366 570716500 /nfs/dbraw/zinc/71/65/00/570716500.db2.gz HJWVXWYCWTWRGN-UHFFFAOYSA-N 1 0 391.302 4.036 50 0 GIAARO CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1)C(C)C ZINC000247963277 570717786 /nfs/dbraw/zinc/71/77/86/570717786.db2.gz ALYLIGSAMHRUAB-LJQANCHMSA-N 1 0 384.568 4.476 50 0 GIAARO COc1ccc(C)cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000252478830 570727866 /nfs/dbraw/zinc/72/78/66/570727866.db2.gz AVPWJGGNAPXBLE-HXUWFJFHSA-N 1 0 381.520 4.215 50 0 GIAARO CCc1nc2ccccc2c(NC(=O)C[NH2+]CCc2c[nH]c3ccccc23)c1C ZINC000003144001 570730063 /nfs/dbraw/zinc/73/00/63/570730063.db2.gz DECUXTSWLOPBSI-UHFFFAOYSA-N 1 0 386.499 4.358 50 0 GIAARO Cc1nc(-c2ccccc2F)sc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036569572 570741077 /nfs/dbraw/zinc/74/10/77/570741077.db2.gz YLTOHZVDYJFKAP-CRAIPNDOSA-N 1 0 387.524 4.252 50 0 GIAARO Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CC[NH+](C)CC1 ZINC000021798057 570745812 /nfs/dbraw/zinc/74/58/12/570745812.db2.gz QCWKBCJTLCUCNL-UHFFFAOYSA-N 1 0 383.499 4.148 50 0 GIAARO CCOc1ccc(NC(=O)N2CCC([N@@H+]3CCC[C@@H]3CSCC)CC2)cc1 ZINC000206792743 570752683 /nfs/dbraw/zinc/75/26/83/570752683.db2.gz ZXBJBROOZVUYAN-LJQANCHMSA-N 1 0 391.581 4.299 50 0 GIAARO Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036659882 570783181 /nfs/dbraw/zinc/78/31/81/570783181.db2.gz KZDJMTWVLRAXDJ-FQEVSTJZSA-N 1 0 375.472 4.217 50 0 GIAARO COc1ccc(N2C[C@@](O)(c3ccc(F)cc3)[N+]3=C2CCc2ccccc23)cc1 ZINC000005670646 570796182 /nfs/dbraw/zinc/79/61/82/570796182.db2.gz OGKNYNWVJJADMC-XMMPIXPASA-N 1 0 389.450 4.189 50 0 GIAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cc(C)ccc3C)c(C)c2)CC1 ZINC000032772060 570805533 /nfs/dbraw/zinc/80/55/33/570805533.db2.gz XZANAPCPGVCVLG-FQEVSTJZSA-N 1 0 394.563 4.193 50 0 GIAARO Cc1cc(N2CCCC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12 ZINC000033084602 570806342 /nfs/dbraw/zinc/80/63/42/570806342.db2.gz MJCCJJZVDBMUDE-UHFFFAOYSA-N 1 0 375.428 4.124 50 0 GIAARO COc1ccc(NC(=S)N2CCC([N@H+](C)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000004668295 570814433 /nfs/dbraw/zinc/81/44/33/570814433.db2.gz IUGRQQIVGOKHBN-OXQOHEQNSA-N 1 0 375.582 4.367 50 0 GIAARO C[C@@H](NC(=O)c1ccccc1Br)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211563 570837832 /nfs/dbraw/zinc/83/78/32/570837832.db2.gz ASTNGCCWOFJSOJ-DYVFJYSZSA-N 1 0 393.350 4.466 50 0 GIAARO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000170623176 570881452 /nfs/dbraw/zinc/88/14/52/570881452.db2.gz PPHMYBXWOOFAAA-DZGCQCFKSA-N 1 0 392.345 4.119 50 0 GIAARO C[C@H](CCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000097016638 570886719 /nfs/dbraw/zinc/88/67/19/570886719.db2.gz TUSYKBNVQFVSGR-AUUYWEPGSA-N 1 0 398.890 4.218 50 0 GIAARO COCCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000299771385 570894067 /nfs/dbraw/zinc/89/40/67/570894067.db2.gz WBYJQZYOWQHOFH-UHFFFAOYSA-N 1 0 383.492 4.053 50 0 GIAARO CCn1c2ccc(F)cc2nc1NCc1ccc(OC)c(OCCCOC)c1 ZINC000097143605 570899268 /nfs/dbraw/zinc/89/92/68/570899268.db2.gz MPNSHENULOCZTD-UHFFFAOYSA-N 1 0 387.455 4.231 50 0 GIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000032908713 570909470 /nfs/dbraw/zinc/90/94/70/570909470.db2.gz IUSHWFYLCTXONR-DEOSSOPVSA-N 1 0 386.495 4.035 50 0 GIAARO O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000089780542 570912335 /nfs/dbraw/zinc/91/23/35/570912335.db2.gz KXRGJIJRCNJQMP-LJQANCHMSA-N 1 0 397.494 4.354 50 0 GIAARO C[NH+](C)Cc1cccc(CNC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c1 ZINC000534650567 570913885 /nfs/dbraw/zinc/91/38/85/570913885.db2.gz LUNPLAPBSFIOGI-UHFFFAOYSA-N 1 0 376.504 4.104 50 0 GIAARO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)C1CCCC1 ZINC000032912917 570918517 /nfs/dbraw/zinc/91/85/17/570918517.db2.gz IOHPIOHRMBEMGS-UHFFFAOYSA-N 1 0 377.532 4.133 50 0 GIAARO CN(Cc1cccc(O)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000534666264 570919494 /nfs/dbraw/zinc/91/94/94/570919494.db2.gz RINJVOJUJXZRME-HXUWFJFHSA-N 1 0 387.911 4.024 50 0 GIAARO C[C@H]1CCC[N@H+](CCOCCOc2ccc(Cl)cc2Br)C1 ZINC000002825293 570933738 /nfs/dbraw/zinc/93/37/38/570933738.db2.gz GPUYCFVMTDOTMG-ZDUSSCGKSA-N 1 0 376.722 4.230 50 0 GIAARO CC(C)c1noc(CCCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000046934650 570937402 /nfs/dbraw/zinc/93/74/02/570937402.db2.gz SBLNWQLBQNBQEW-QGZVFWFLSA-N 1 0 384.524 4.386 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000032930734 570944060 /nfs/dbraw/zinc/94/40/60/570944060.db2.gz UTXCWTOPAUPOBF-GOSISDBHSA-N 1 0 375.516 4.401 50 0 GIAARO C[C@@H]1CCC[N@H+](Cc2cn3c(nnc3-c3cccc(Br)c3)s2)C1 ZINC000004107094 570951145 /nfs/dbraw/zinc/95/11/45/570951145.db2.gz YQESBIHHLCIMEP-GFCCVEGCSA-N 1 0 391.338 4.452 50 0 GIAARO COc1ccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1Cl ZINC000033312179 570970752 /nfs/dbraw/zinc/97/07/52/570970752.db2.gz GWCZNDGBOSZAFJ-HNNXBMFYSA-N 1 0 379.932 4.324 50 0 GIAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000083851175 570971427 /nfs/dbraw/zinc/97/14/27/570971427.db2.gz AHLDJGIIKBMMGU-UHFFFAOYSA-N 1 0 378.350 4.471 50 0 GIAARO CCCN(CC1CC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000019300875 570973941 /nfs/dbraw/zinc/97/39/41/570973941.db2.gz BEFRFNXYBYLSKC-HSZRJFAPSA-N 1 0 397.607 4.012 50 0 GIAARO CCCN(CC1CC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000019300876 570974182 /nfs/dbraw/zinc/97/41/82/570974182.db2.gz BEFRFNXYBYLSKC-QHCPKHFHSA-N 1 0 397.607 4.012 50 0 GIAARO CSc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019359605 570979532 /nfs/dbraw/zinc/97/95/32/570979532.db2.gz LXCXFBXXRFAPQQ-UHFFFAOYSA-N 1 0 395.616 4.191 50 0 GIAARO COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000045743739 570996166 /nfs/dbraw/zinc/99/61/66/570996166.db2.gz HDXBKAPVLHMDOH-QGZVFWFLSA-N 1 0 399.510 4.168 50 0 GIAARO O=S(=O)(CC[NH+](Cc1ccccc1)Cc1ccccc1)Oc1ccccc1 ZINC000002196852 570996852 /nfs/dbraw/zinc/99/68/52/570996852.db2.gz AMHOGBWWPACPFI-UHFFFAOYSA-N 1 0 381.497 4.098 50 0 GIAARO CCC[NH2+]Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040739974 570999239 /nfs/dbraw/zinc/99/92/39/570999239.db2.gz PNHXZOHMOXCYPQ-UHFFFAOYSA-N 1 0 391.309 4.275 50 0 GIAARO COCC[NH2+]Cc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000040742662 571001189 /nfs/dbraw/zinc/00/11/89/571001189.db2.gz NPTLPLUPOSWJNL-UHFFFAOYSA-N 1 0 388.266 4.456 50 0 GIAARO CCN1CC2(CC[NH+](Cc3cccc(O)c3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091433764 571007538 /nfs/dbraw/zinc/00/75/38/571007538.db2.gz FAAYGHAIBUOXSU-QFIPXVFZSA-N 1 0 378.516 4.010 50 0 GIAARO CC(C)CCN1C[C@]2(CCC[N@H+](Cc3cncn3C3CCCC3)C2)CCC1=O ZINC000091526781 571012494 /nfs/dbraw/zinc/01/24/94/571012494.db2.gz DJIYAZJBFFCFTQ-HSZRJFAPSA-N 1 0 386.584 4.249 50 0 GIAARO CCCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)CC(C)C)cc2=O)s1 ZINC000046032191 571013678 /nfs/dbraw/zinc/01/36/78/571013678.db2.gz BWPCLZIGOBFJDR-UHFFFAOYSA-N 1 0 384.549 4.152 50 0 GIAARO C[C@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000091645136 571021840 /nfs/dbraw/zinc/02/18/40/571021840.db2.gz UXNBKIPNSWWJHL-HSZRJFAPSA-N 1 0 391.471 4.310 50 0 GIAARO CCOCc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000438866261 571023131 /nfs/dbraw/zinc/02/31/31/571023131.db2.gz TVNQDOHERIJLSQ-NRFANRHFSA-N 1 0 381.520 4.209 50 0 GIAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3occc3c1)CC2 ZINC000091933420 571036573 /nfs/dbraw/zinc/03/65/73/571036573.db2.gz QLALTONYBFHRLM-UHFFFAOYSA-N 1 0 378.520 4.305 50 0 GIAARO CCN1CC2(CC[NH+](Cc3cccc(C)n3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091931804 571036668 /nfs/dbraw/zinc/03/66/68/571036668.db2.gz KZFCGQVNNFIOJR-JOCHJYFZSA-N 1 0 377.532 4.008 50 0 GIAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1nc3ccccc3s1)CC2 ZINC000092019642 571041113 /nfs/dbraw/zinc/04/11/13/571041113.db2.gz KCNWWRBNHGKQCV-UHFFFAOYSA-N 1 0 381.549 4.173 50 0 GIAARO O=C(c1ccc2cccc(Cl)c2n1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095371421 571061375 /nfs/dbraw/zinc/06/13/75/571061375.db2.gz BFHXKNDQVDCMOX-SJLPKXTDSA-N 1 0 383.923 4.225 50 0 GIAARO C[NH+]1CCC(C2CCN(C(=O)c3cccc(-c4ccc(O)cc4)c3)CC2)CC1 ZINC000095387027 571070668 /nfs/dbraw/zinc/07/06/68/571070668.db2.gz MHWYONQELOTZFQ-UHFFFAOYSA-N 1 0 378.516 4.253 50 0 GIAARO O=C(NC[C@H]1C[N@H+](CC2CC2)CC12CCCCC2)Nc1cc(F)ccc1F ZINC000409421332 823220661 /nfs/dbraw/zinc/22/06/61/823220661.db2.gz IWMCLRULBYVWOE-INIZCTEOSA-N 1 0 377.479 4.379 50 0 GIAARO C[N@H+](CCOC(=O)COc1ccc(Cl)cc1)C1C2CC3CC(C2)CC1C3 ZINC000002344741 817385157 /nfs/dbraw/zinc/38/51/57/817385157.db2.gz ZLKUDUXSIDOXQA-UHFFFAOYSA-N 1 0 377.912 4.019 50 0 GIAARO CCCSc1nc2sc3c(c2c(NCC[NH+](C)C)n1)C[C@@](C)(CC)OC3 ZINC000002417138 817387833 /nfs/dbraw/zinc/38/78/33/817387833.db2.gz FOBHOWINECOLRX-LJQANCHMSA-N 1 0 394.610 4.408 50 0 GIAARO CCOc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2CCCCC3)cc1 ZINC000002684725 817397704 /nfs/dbraw/zinc/39/77/04/817397704.db2.gz PGXUHFQWIPMRNI-UHFFFAOYSA-N 1 0 391.491 4.328 50 0 GIAARO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000003416957 817452060 /nfs/dbraw/zinc/45/20/60/817452060.db2.gz UTUASHKNRICHSN-FPOVZHCZSA-N 1 0 397.515 4.158 50 0 GIAARO COc1cc(OC)c(NC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000004030005 817497047 /nfs/dbraw/zinc/49/70/47/817497047.db2.gz YVIWBUBNEDOMNQ-XJKSGUPXSA-N 1 0 382.888 4.170 50 0 GIAARO COc1ccc(C[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000004029806 817497418 /nfs/dbraw/zinc/49/74/18/817497418.db2.gz MBXTZFOKNHDGBZ-OCLXHKASSA-N 1 0 399.531 4.108 50 0 GIAARO O=C(NC1CCCCC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011821039 818124015 /nfs/dbraw/zinc/12/40/15/818124015.db2.gz FFWRDZGSMCHPCD-UHFFFAOYSA-N 1 0 393.531 4.188 50 0 GIAARO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)Cc3cscn3)CC2)cc1C ZINC000011967646 818132849 /nfs/dbraw/zinc/13/28/49/818132849.db2.gz FPSNTORPXCRBTH-FQEVSTJZSA-N 1 0 383.561 4.021 50 0 GIAARO O=C(CCc1cccs1)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000012217891 818147642 /nfs/dbraw/zinc/14/76/42/818147642.db2.gz LGPSSFPHLAMXPJ-IRLDBZIGSA-N 1 0 382.573 4.236 50 0 GIAARO COc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(C)c3)CC2)cc1O ZINC000012246000 818148766 /nfs/dbraw/zinc/14/87/66/818148766.db2.gz SBTOAKCPBTWYOQ-UHFFFAOYSA-N 1 0 377.488 4.479 50 0 GIAARO CCOc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000012588181 818168586 /nfs/dbraw/zinc/16/85/86/818168586.db2.gz BIIFZGWIVRBNTQ-UHFFFAOYSA-N 1 0 396.535 4.248 50 0 GIAARO C[C@@H](CC1CC1)[NH+]1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000015071903 818287474 /nfs/dbraw/zinc/28/74/74/818287474.db2.gz HQKZHVNVDULSTR-HNNXBMFYSA-N 1 0 385.487 4.492 50 0 GIAARO COC(=O)c1ccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)cc1 ZINC000015072065 818287604 /nfs/dbraw/zinc/28/76/04/818287604.db2.gz QWNKVXUUWRERIC-UHFFFAOYSA-N 1 0 381.516 4.071 50 0 GIAARO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)CC1 ZINC000019744718 818603953 /nfs/dbraw/zinc/60/39/53/818603953.db2.gz CCIQXPOKODQRNF-KRWDZBQOSA-N 1 0 378.507 4.256 50 0 GIAARO O=C(NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)[C@H]1CC=CCC1 ZINC000019744240 818604372 /nfs/dbraw/zinc/60/43/72/818604372.db2.gz SNVHGOXVZNCFJA-REWPJTCUSA-N 1 0 376.500 4.095 50 0 GIAARO C[N@@H+]1CCN(c2nncc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H]1c1ccccc1 ZINC000020202301 818616879 /nfs/dbraw/zinc/61/68/79/818616879.db2.gz YHQIUXVBMWRRTA-LJQANCHMSA-N 1 0 399.420 4.051 50 0 GIAARO Cc1ccc(/C=C/C(=O)NCCN2CCC([N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000020241342 818617798 /nfs/dbraw/zinc/61/77/98/818617798.db2.gz LUHSUUOGVHQADD-AHUNDJPPSA-N 1 0 397.607 4.099 50 0 GIAARO COc1ccc([C@@](O)(CCC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440811 818621080 /nfs/dbraw/zinc/62/10/80/818621080.db2.gz YTUJAJLUZJTQQQ-RPBOFIJWSA-N 1 0 397.559 4.435 50 0 GIAARO COCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)o1 ZINC000020600408 818626486 /nfs/dbraw/zinc/62/64/86/818626486.db2.gz AZCRLTMVILMBTJ-CQSZACIVSA-N 1 0 387.430 4.474 50 0 GIAARO CCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756600 818630484 /nfs/dbraw/zinc/63/04/84/818630484.db2.gz QLTPDCKWJYRDBA-RPWUZVMVSA-N 1 0 383.532 4.189 50 0 GIAARO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cccc(-c3nc(C)cc(=O)[nH]3)c2)c1 ZINC000020783095 818631269 /nfs/dbraw/zinc/63/12/69/818631269.db2.gz MFQUSWGHXWNWKP-QFIPXVFZSA-N 1 0 389.499 4.481 50 0 GIAARO Cc1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000020927264 818640840 /nfs/dbraw/zinc/64/08/40/818640840.db2.gz RURDTDWRCGJLKL-UHFFFAOYSA-N 1 0 380.517 4.157 50 0 GIAARO CC(C)Cn1cc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c2ccccc2c1=O ZINC000020941539 818642404 /nfs/dbraw/zinc/64/24/04/818642404.db2.gz PVJLPGTYRRBNBC-QZTJIDSGSA-N 1 0 398.551 4.042 50 0 GIAARO CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)cc1 ZINC000021171750 818660835 /nfs/dbraw/zinc/66/08/35/818660835.db2.gz LILYNMIIUDAVCR-LJQANCHMSA-N 1 0 390.531 4.071 50 0 GIAARO Cc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000021174842 818661372 /nfs/dbraw/zinc/66/13/72/818661372.db2.gz SFQMIQVBEIYMQS-UHFFFAOYSA-N 1 0 385.939 4.360 50 0 GIAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cc(C)c(C)o3)C2)cc1OC ZINC000023360362 818927705 /nfs/dbraw/zinc/92/77/05/818927705.db2.gz PVXPXRFIALVYPX-FQEVSTJZSA-N 1 0 386.536 4.053 50 0 GIAARO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(-c2nc(-c3ccco3)cc(=O)[nH]2)c1 ZINC000023478734 818944476 /nfs/dbraw/zinc/94/44/76/818944476.db2.gz ADSKHFQMOCMPHS-HNNXBMFYSA-N 1 0 375.428 4.483 50 0 GIAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)C1 ZINC000189364778 823401403 /nfs/dbraw/zinc/40/14/03/823401403.db2.gz MJGZDDDBVUMEEX-INIZCTEOSA-N 1 0 379.932 4.324 50 0 GIAARO CCn1nc(C(=O)NCC[C@H]2CCC[N@@H+]2C)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902059 821063230 /nfs/dbraw/zinc/06/32/30/821063230.db2.gz XYMBVYDDFLDMLG-LJQANCHMSA-N 1 0 382.552 4.082 50 0 GIAARO O=C(CSc1ccc(F)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584552 821097900 /nfs/dbraw/zinc/09/79/00/821097900.db2.gz ZVMJZZNHACSRPD-UHFFFAOYSA-N 1 0 378.538 4.008 50 0 GIAARO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1)c1ccccc1 ZINC000040050460 821127727 /nfs/dbraw/zinc/12/77/27/821127727.db2.gz STWPZUOBLOGZBR-OALUTQOASA-N 1 0 380.532 4.303 50 0 GIAARO CN(Cc1ccon1)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000043136045 821366199 /nfs/dbraw/zinc/36/61/99/821366199.db2.gz OPWBPRIYGIXFRN-KRWDZBQOSA-N 1 0 381.442 4.080 50 0 GIAARO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000180718174 821415556 /nfs/dbraw/zinc/41/55/56/821415556.db2.gz RRYQRTPGSUPYLS-LJQANCHMSA-N 1 0 388.870 4.197 50 0 GIAARO CC(=O)Nc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cc1 ZINC000055053643 822935424 /nfs/dbraw/zinc/93/54/24/822935424.db2.gz YGPXMTOMLLOODW-VWLOTQADSA-N 1 0 391.559 4.442 50 0 GIAARO CC(C)N1CC[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000191564511 823700376 /nfs/dbraw/zinc/70/03/76/823700376.db2.gz OKPAGAZJCKTTAH-MOPGFXCFSA-N 1 0 393.938 4.139 50 0 GIAARO CCC(=O)N(C1CCOCC1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169760528 823912501 /nfs/dbraw/zinc/91/25/01/823912501.db2.gz OGPNBIUEZFISED-UHFFFAOYSA-N 1 0 398.469 4.087 50 0 GIAARO COCCO[C@H]1CN(C2CC[NH+](Cc3cccc(C)c3)CC2)C12CCCCC2 ZINC000575317581 823953767 /nfs/dbraw/zinc/95/37/67/823953767.db2.gz YTPXFJXAHRYDNA-QHCPKHFHSA-N 1 0 386.580 4.010 50 0 GIAARO C[C@@H](O)c1cccc(-c2ccc(C(=O)NCC3(C[NH+]4CCCC4)CC3)cc2)c1 ZINC000426429844 231220270 /nfs/dbraw/zinc/22/02/70/231220270.db2.gz RJMITCQLCPFBPM-GOSISDBHSA-N 1 0 378.516 4.013 50 0 GIAARO Cc1cc(C)c2c(c1)nc(C)cc2C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000426634160 231247735 /nfs/dbraw/zinc/24/77/35/231247735.db2.gz JGYANNQFJBQTSB-VWLOTQADSA-N 1 0 391.559 4.498 50 0 GIAARO CN(Cc1cccc(O)c1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426546241 529995001 /nfs/dbraw/zinc/99/50/01/529995001.db2.gz RTQMZFFPBLQIDW-JOCHJYFZSA-N 1 0 381.520 4.151 50 0 GIAARO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000010330601 212247388 /nfs/dbraw/zinc/24/73/88/212247388.db2.gz AMNPDTJVYOSQBS-NRFANRHFSA-N 1 0 388.467 4.135 50 0 GIAARO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+]C(C)(C)CC)cc2)cc1 ZINC000009390227 212193670 /nfs/dbraw/zinc/19/36/70/212193670.db2.gz JFNMXNLKKRHVBW-UHFFFAOYSA-N 1 0 383.492 4.054 50 0 GIAARO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCC(C)CC1)C[C@H](C)CC2 ZINC000000719338 212178343 /nfs/dbraw/zinc/17/83/43/212178343.db2.gz CSZJIQSHZDOBNJ-OAHLLOKOSA-N 1 0 392.565 4.110 50 0 GIAARO COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000000597013 212163787 /nfs/dbraw/zinc/16/37/87/212163787.db2.gz ADEBPBSSDYVVLD-FQEVSTJZSA-N 1 0 379.500 4.361 50 0 fda GIAARO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)[nH]1 ZINC000095966314 212154538 /nfs/dbraw/zinc/15/45/38/212154538.db2.gz ODBAPXXASOCMBB-KRWDZBQOSA-N 1 0 397.910 4.120 50 0 GIAARO CC(C)CCN1c2ccccc2[C@@]2(NCCc3c4cc(F)ccc4[nH]c32)C1=O ZINC000020064208 212149429 /nfs/dbraw/zinc/14/94/29/212149429.db2.gz VKWFIOZHRZLGMJ-QHCPKHFHSA-N 1 0 377.463 4.089 50 0 GIAARO Cc1ccc(CN2CC[N@@H+](Cc3cn(C(C)C)c4ccccc34)C[C@H]2CCO)o1 ZINC000036385624 212119237 /nfs/dbraw/zinc/11/92/37/212119237.db2.gz MQSKLQJFIXUZJE-OAQYLSRUSA-N 1 0 395.547 4.192 50 0 GIAARO CCCC[NH+](CCCC)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000035327199 212110432 /nfs/dbraw/zinc/11/04/32/212110432.db2.gz QWZBFPZYZXJMPU-PDGQHHTCSA-N 1 0 390.505 4.311 50 0 GIAARO COc1ccc([C@@H]2[NH2+]CC[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000001293556 220484061 /nfs/dbraw/zinc/48/40/61/220484061.db2.gz ADRGNPCYQFCFPB-UKILVPOCSA-N 1 0 384.479 4.214 50 0 GIAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000002765063 220563223 /nfs/dbraw/zinc/56/32/23/220563223.db2.gz XMVMSPKBUHXSBJ-UHFFFAOYSA-N 1 0 390.911 4.169 50 0 GIAARO CCOc1ccc([C@]2(O)[C@H](C)N3CCCCCC3=[N+]2c2ccc(OC)cc2)cc1 ZINC000005465985 220874029 /nfs/dbraw/zinc/87/40/29/220874029.db2.gz YBHKQIKLDVCVJM-MHECFPHRSA-N 1 0 395.523 4.133 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 ZINC000006820694 220967612 /nfs/dbraw/zinc/96/76/12/220967612.db2.gz XDKIDDPOEYBVRC-UHFFFAOYSA-N 1 0 399.538 4.476 50 0 GIAARO COc1ccc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c(C)c2c1 ZINC000007686872 221005848 /nfs/dbraw/zinc/00/58/48/221005848.db2.gz NPIBMGJNTGBDOB-KRWDZBQOSA-N 1 0 384.501 4.378 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CC1 ZINC000007989344 221021768 /nfs/dbraw/zinc/02/17/68/221021768.db2.gz FIXJAWHYMVGECD-UHFFFAOYSA-N 1 0 387.483 4.483 50 0 GIAARO Cc1cc(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000008341434 221038171 /nfs/dbraw/zinc/03/81/71/221038171.db2.gz AMHCRUJAOCXCGZ-UHFFFAOYSA-N 1 0 384.545 4.109 50 0 GIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(C2CC2)nc2ccccc21 ZINC000008855795 221061316 /nfs/dbraw/zinc/06/13/16/221061316.db2.gz GPOFIWNEAKUFDQ-OAQYLSRUSA-N 1 0 375.472 4.272 50 0 GIAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc(OCc3ccccc3)cc2)C1 ZINC000008730049 221052513 /nfs/dbraw/zinc/05/25/13/221052513.db2.gz AULVKAQULIYBLC-OAQYLSRUSA-N 1 0 397.515 4.310 50 0 GIAARO C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](c4ccco4)[NH+]4CCCC4)cc3c2C1 ZINC000010090456 221096921 /nfs/dbraw/zinc/09/69/21/221096921.db2.gz XQCOAPGXOOWRDG-KSFYIVLOSA-N 1 0 391.515 4.453 50 0 GIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3c(C)nn(C(C)C)c3C)c2C)cc1 ZINC000011765505 221124687 /nfs/dbraw/zinc/12/46/87/221124687.db2.gz OPFLMTRNVXPVEG-OAHLLOKOSA-N 1 0 381.524 4.434 50 0 GIAARO Cc1ccc2nc(N3CCC([NH2+]CCc4ccccc4F)CC3)nc(C)c2c1 ZINC000011784439 221125031 /nfs/dbraw/zinc/12/50/31/221125031.db2.gz RCEXODAFBCWVBW-UHFFFAOYSA-N 1 0 378.495 4.187 50 0 GIAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCSCC3)cc2)n1 ZINC000011818296 221127606 /nfs/dbraw/zinc/12/76/06/221127606.db2.gz UFQTYRVJHNFYPS-OAQYLSRUSA-N 1 0 398.576 4.178 50 0 GIAARO Cc1ccc(C)c(-n2cc(C[N@H+](C)CCn3ccnc3)c(-c3ccccc3)n2)c1 ZINC000011819570 221129746 /nfs/dbraw/zinc/12/97/46/221129746.db2.gz WBBGAVPWXHIICM-UHFFFAOYSA-N 1 0 385.515 4.485 50 0 GIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CCc1ccccn1 ZINC000011821090 221129947 /nfs/dbraw/zinc/12/99/47/221129947.db2.gz BSGSYAMQBALXNX-UHFFFAOYSA-N 1 0 393.575 4.126 50 0 GIAARO CC(=O)N1CCC([NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)CC1 ZINC000011840667 221130627 /nfs/dbraw/zinc/13/06/27/221130627.db2.gz QSWQEWQORBMSFX-JOCHJYFZSA-N 1 0 394.563 4.148 50 0 GIAARO Cc1cccc(N2CC[NH+]([C@H]3CCC(=O)N(CCCC(C)C)CC3)CC2)c1C ZINC000011841135 221131327 /nfs/dbraw/zinc/13/13/27/221131327.db2.gz ODSOVUIGFAZOSE-QFIPXVFZSA-N 1 0 385.596 4.243 50 0 GIAARO C/C=C(\C)C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011843665 221132642 /nfs/dbraw/zinc/13/26/42/221132642.db2.gz FQXDSFGTZHWFHP-WWQJXNSPSA-N 1 0 388.527 4.012 50 0 GIAARO CSCc1ccc(C(=O)N(CCc2ccccc2)CC2CC[NH+](C)CC2)o1 ZINC000011703720 221123239 /nfs/dbraw/zinc/12/32/39/221123239.db2.gz MLZJHALOKRBJNL-UHFFFAOYSA-N 1 0 386.561 4.169 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000011934680 221139604 /nfs/dbraw/zinc/13/96/04/221139604.db2.gz NKLIPAWRADVAMI-UHFFFAOYSA-N 1 0 383.488 4.007 50 0 GIAARO COCc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998310 221142236 /nfs/dbraw/zinc/14/22/36/221142236.db2.gz GXVTZFHEMYRSPA-IBGZPJMESA-N 1 0 390.955 4.466 50 0 GIAARO CC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012052206 221144660 /nfs/dbraw/zinc/14/46/60/221144660.db2.gz QQDINRFWMVVPEV-OAQYLSRUSA-N 1 0 392.543 4.224 50 0 GIAARO O=C(CCc1ccsc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012073687 221146303 /nfs/dbraw/zinc/14/63/03/221146303.db2.gz YSYCFAYLBHPWEK-QFIPXVFZSA-N 1 0 386.536 4.335 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc1O ZINC000012075031 221148505 /nfs/dbraw/zinc/14/85/05/221148505.db2.gz HZSBECXDIMUALM-GOSISDBHSA-N 1 0 383.488 4.121 50 0 GIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(C)o3)C2)c1 ZINC000012093324 221150525 /nfs/dbraw/zinc/15/05/25/221150525.db2.gz FUQFYWLVRDDPCJ-QGZVFWFLSA-N 1 0 388.483 4.044 50 0 GIAARO O=C(CCC(F)(F)F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012093686 221150716 /nfs/dbraw/zinc/15/07/16/221150716.db2.gz KPSDYODYCFRTSJ-SFHVURJKSA-N 1 0 390.396 4.122 50 0 GIAARO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+][C@@H]4CCOC(C)(C)C4)CC3)nc2c1 ZINC000012149938 221160140 /nfs/dbraw/zinc/16/01/40/221160140.db2.gz RRZOWIFMTAXWLQ-RTBURBONSA-N 1 0 382.552 4.153 50 0 GIAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000012297195 221176087 /nfs/dbraw/zinc/17/60/87/221176087.db2.gz HPBYYXKYAIRHMX-QGZVFWFLSA-N 1 0 382.479 4.180 50 0 GIAARO CSCc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)o1 ZINC000012297804 221176242 /nfs/dbraw/zinc/17/62/42/221176242.db2.gz KOOFFMQKJXKDIU-LJQANCHMSA-N 1 0 386.561 4.312 50 0 GIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c1C ZINC000012303784 221177408 /nfs/dbraw/zinc/17/74/08/221177408.db2.gz IMTPPTCQUCWDEK-GOSISDBHSA-N 1 0 386.515 4.290 50 0 GIAARO Cc1ccc(-n2cc(C[NH+]3CCC(CO)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012301792 221178198 /nfs/dbraw/zinc/17/81/98/221178198.db2.gz YFPWYLDDWOWFTD-UHFFFAOYSA-N 1 0 379.479 4.191 50 0 GIAARO COCc1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012307803 221179952 /nfs/dbraw/zinc/17/99/52/221179952.db2.gz QAIVJQXCCLWGEH-UHFFFAOYSA-N 1 0 397.563 4.478 50 0 GIAARO Cc1cc(C)c(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c(-n2cccn2)c1 ZINC000012319798 221181446 /nfs/dbraw/zinc/18/14/46/221181446.db2.gz JQICVNXAFICFBB-NRFANRHFSA-N 1 0 398.514 4.237 50 0 GIAARO Cc1cccc(CC(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c1 ZINC000012192251 221165641 /nfs/dbraw/zinc/16/56/41/221165641.db2.gz FXQAYXPTHDVNNP-UHFFFAOYSA-N 1 0 382.523 4.090 50 0 GIAARO O=C(NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)C1=CCCCC1 ZINC000012217404 221168115 /nfs/dbraw/zinc/16/81/15/221168115.db2.gz DWPQRXJLRIRZPB-HSZRJFAPSA-N 1 0 376.500 4.239 50 0 GIAARO Cc1nc(N2CCC[C@@H]([NH2+]CCc3cccc(F)c3)CC2)nc2ccc(F)cc12 ZINC000012278895 221174537 /nfs/dbraw/zinc/17/45/37/221174537.db2.gz FTKIZNRWWUGCPT-HXUWFJFHSA-N 1 0 396.485 4.408 50 0 GIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccsc1 ZINC000012429919 221191055 /nfs/dbraw/zinc/19/10/55/221191055.db2.gz FOKRCJRTXNATSX-LJQANCHMSA-N 1 0 386.561 4.174 50 0 GIAARO Cc1nnsc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012583566 221210232 /nfs/dbraw/zinc/21/02/32/221210232.db2.gz KSPHAFBKZWHMDB-QFIPXVFZSA-N 1 0 398.576 4.098 50 0 GIAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000012373635 221186011 /nfs/dbraw/zinc/18/60/11/221186011.db2.gz JYOCYTGVLOVMKH-UHFFFAOYSA-N 1 0 393.531 4.188 50 0 GIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3F)oc2C)C1 ZINC000012373510 221186723 /nfs/dbraw/zinc/18/67/23/221186723.db2.gz PZKAFZYPGQWOQR-OAHLLOKOSA-N 1 0 391.462 4.009 50 0 GIAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)[C@H]2CC23CCCCC3)CC1 ZINC000012596037 221213138 /nfs/dbraw/zinc/21/31/38/221213138.db2.gz JGYUMJKXUWWNEQ-JOCHJYFZSA-N 1 0 398.591 4.379 50 0 GIAARO COCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)o1 ZINC000012717848 221220732 /nfs/dbraw/zinc/22/07/32/221220732.db2.gz ROTWNNZCWLFYKD-GOSISDBHSA-N 1 0 392.499 4.221 50 0 GIAARO COC[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)C1 ZINC000012718794 221221065 /nfs/dbraw/zinc/22/10/65/221221065.db2.gz UNJRJZIRFUHKIL-KRWDZBQOSA-N 1 0 395.478 4.155 50 0 GIAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCCCO3)cc2Cl)CC1 ZINC000012717768 221221108 /nfs/dbraw/zinc/22/11/08/221221108.db2.gz AOMWQXAYDFATJE-UHFFFAOYSA-N 1 0 394.943 4.397 50 0 GIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012725576 221221259 /nfs/dbraw/zinc/22/12/59/221221259.db2.gz BFJIMBWUFKWQDO-UHFFFAOYSA-N 1 0 385.479 4.440 50 0 GIAARO COCc1c2ccccc2oc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012804551 221234864 /nfs/dbraw/zinc/23/48/64/221234864.db2.gz NUOATLSADNUNJA-UHFFFAOYSA-N 1 0 384.520 4.498 50 0 GIAARO O=C(CCc1nc2ccccc2s1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012873553 221240599 /nfs/dbraw/zinc/24/05/99/221240599.db2.gz FSWZFYLDEFPCNM-QGZVFWFLSA-N 1 0 383.517 4.165 50 0 GIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000012998645 221255688 /nfs/dbraw/zinc/25/56/88/221255688.db2.gz ALHPHZBGMBUFFW-JOCHJYFZSA-N 1 0 395.503 4.209 50 0 GIAARO COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2F)[NH+]2CCCC2)c1 ZINC000013010395 221256709 /nfs/dbraw/zinc/25/67/09/221256709.db2.gz OJUQIJKSZWVLDP-IBGZPJMESA-N 1 0 376.859 4.055 50 0 GIAARO O[C@@]1(c2ccccc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000013512577 221270463 /nfs/dbraw/zinc/27/04/63/221270463.db2.gz OUAGPVMVUQOSDC-HXUWFJFHSA-N 1 0 386.313 4.099 50 0 GIAARO COCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000013722595 221284405 /nfs/dbraw/zinc/28/44/05/221284405.db2.gz MMGQYXGHGYUHGC-UHFFFAOYSA-N 1 0 378.310 4.463 50 0 GIAARO COc1c(Br)cc(Br)cc1C[NH2+]CCCOC(C)C ZINC000013721926 221284669 /nfs/dbraw/zinc/28/46/69/221284669.db2.gz VTVRCYRGVPZYDO-UHFFFAOYSA-N 1 0 395.135 4.125 50 0 GIAARO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1F ZINC000014970542 221321659 /nfs/dbraw/zinc/32/16/59/221321659.db2.gz IZFOTMQYRBBLSH-LBPRGKRZSA-N 1 0 375.394 4.457 50 0 GIAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000014968733 221321999 /nfs/dbraw/zinc/32/19/99/221321999.db2.gz HWWHXTUKRFLNBH-UHFFFAOYSA-N 1 0 376.928 4.408 50 0 GIAARO C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cc3ccccc3s1)CCO2 ZINC000014879541 221318156 /nfs/dbraw/zinc/31/81/56/221318156.db2.gz MLEOYGKUBPRSJH-QHCPKHFHSA-N 1 0 396.556 4.065 50 0 GIAARO Cc1ccccc1C[NH+]1CCC2(C[C@H]2C(=O)NCCCc2ccccc2)CC1 ZINC000014886430 221319094 /nfs/dbraw/zinc/31/90/94/221319094.db2.gz DVJZKQADKVZEMO-QHCPKHFHSA-N 1 0 376.544 4.346 50 0 GIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000014954070 221320499 /nfs/dbraw/zinc/32/04/99/221320499.db2.gz LNPWVADUQVMUFH-SFHVURJKSA-N 1 0 383.442 4.083 50 0 GIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)oc2C)C1 ZINC000015073013 221331944 /nfs/dbraw/zinc/33/19/44/221331944.db2.gz VXMGPULFLNHOTC-INIZCTEOSA-N 1 0 389.927 4.384 50 0 GIAARO Clc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc2c1OCCCO2 ZINC000015185451 221333587 /nfs/dbraw/zinc/33/35/87/221333587.db2.gz VKOPTLRQLJMIQY-UHFFFAOYSA-N 1 0 386.923 4.387 50 0 GIAARO O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140096 221334229 /nfs/dbraw/zinc/33/42/29/221334229.db2.gz XLYFECGMMHSTKN-UHFFFAOYSA-N 1 0 388.511 4.376 50 0 GIAARO C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1C[NH+](C)C)c1ccco1 ZINC000014984222 221324968 /nfs/dbraw/zinc/32/49/68/221324968.db2.gz OTRPIFBTVALIHK-KRWDZBQOSA-N 1 0 378.472 4.264 50 0 GIAARO Cc1ccccc1[C@H](CC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000015063434 221327940 /nfs/dbraw/zinc/32/79/40/221327940.db2.gz ZAOWOKKDACMSFM-XMMPIXPASA-N 1 0 385.511 4.261 50 0 GIAARO CCN1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000015065294 221329225 /nfs/dbraw/zinc/32/92/25/221329225.db2.gz IRZBXVLLMGKHFG-OAQYLSRUSA-N 1 0 380.532 4.227 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000015068366 221329881 /nfs/dbraw/zinc/32/98/81/221329881.db2.gz NJXGLRHPXSRGTK-QGZVFWFLSA-N 1 0 398.478 4.243 50 0 GIAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)NCc1ccccc1Cl ZINC000015066474 221329975 /nfs/dbraw/zinc/32/99/75/221329975.db2.gz HUFQYVJHEMGUCG-KRWDZBQOSA-N 1 0 386.923 4.354 50 0 GIAARO O=C(Nc1ccnn1C1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000015077153 221331338 /nfs/dbraw/zinc/33/13/38/221331338.db2.gz CRDZHSJVIGWTMX-JXMROGBWSA-N 1 0 386.499 4.486 50 0 GIAARO CCn1nc(C)cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000015077425 221331616 /nfs/dbraw/zinc/33/16/16/221331616.db2.gz DLZVMQQRZKTQKF-QHCPKHFHSA-N 1 0 386.584 4.110 50 0 GIAARO CSC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000015071162 221331647 /nfs/dbraw/zinc/33/16/47/221331647.db2.gz RYJHDHRRAWVDBA-AWEZNQCLSA-N 1 0 392.956 4.177 50 0 GIAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)no2)cc1 ZINC000015859714 221349109 /nfs/dbraw/zinc/34/91/09/221349109.db2.gz AXGZBSLANRJIRZ-NRFANRHFSA-N 1 0 375.472 4.217 50 0 GIAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599299 221365980 /nfs/dbraw/zinc/36/59/80/221365980.db2.gz YNOHARVRHTXJIW-SUMWQHHRSA-N 1 0 381.303 4.180 50 0 GIAARO Fc1ccccc1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017317857 221383813 /nfs/dbraw/zinc/38/38/13/221383813.db2.gz LQMMBZICVFBMAV-UHFFFAOYSA-N 1 0 386.474 4.465 50 0 GIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000016780375 221370842 /nfs/dbraw/zinc/37/08/42/221370842.db2.gz IWLRFWFCIKPUME-UHFFFAOYSA-N 1 0 390.531 4.261 50 0 GIAARO CC1CC[NH+](CCCNC(=O)CCCSc2nc3ccccc3s2)CC1 ZINC000017813135 221384981 /nfs/dbraw/zinc/38/49/81/221384981.db2.gz WUTDODYBTMRIBU-UHFFFAOYSA-N 1 0 391.606 4.407 50 0 GIAARO Cc1cccc([C@@H](CC(=O)N2CCC([NH+]3CCCCC3)CC2)n2cccc2)c1 ZINC000020999057 221522572 /nfs/dbraw/zinc/52/25/72/221522572.db2.gz HTRDZLTYOGLOMO-HSZRJFAPSA-N 1 0 379.548 4.253 50 0 GIAARO Cc1ccc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F ZINC000020889862 221515885 /nfs/dbraw/zinc/51/58/85/221515885.db2.gz CSKKWNCDOOZJGP-UHFFFAOYSA-N 1 0 387.474 4.349 50 0 GIAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1)c1ccccc1 ZINC000058175157 136154902 /nfs/dbraw/zinc/15/49/02/136154902.db2.gz UVYSFXAOOHDYSX-OAQYLSRUSA-N 1 0 399.538 4.500 50 0 GIAARO Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3ccc(-c4cc[nH]n4)o3)CC2)n1 ZINC000072431130 136170067 /nfs/dbraw/zinc/17/00/67/136170067.db2.gz YJAGVOSPEPTKNP-UHFFFAOYSA-N 1 0 377.492 4.008 50 0 GIAARO CC[N@H+](CCC1CCN(c2cc(C)nc(-c3ccccn3)n2)CC1)CC1CC1 ZINC000095458054 136179198 /nfs/dbraw/zinc/17/91/98/136179198.db2.gz RLIBBPRYHJPGMX-UHFFFAOYSA-N 1 0 379.552 4.185 50 0 GIAARO Cc1cc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)nc2ccccc12 ZINC000095531498 136181812 /nfs/dbraw/zinc/18/18/12/136181812.db2.gz RXIIJLWKDWVNKT-IBGZPJMESA-N 1 0 377.536 4.075 50 0 GIAARO Cc1cc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)nc2ccccc12 ZINC000095531499 136181873 /nfs/dbraw/zinc/18/18/73/136181873.db2.gz RXIIJLWKDWVNKT-LJQANCHMSA-N 1 0 377.536 4.075 50 0 GIAARO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+](CC(C)C)CC(C)C ZINC000008717439 136195539 /nfs/dbraw/zinc/19/55/39/136195539.db2.gz HPZFEBUMRRBZOX-UHFFFAOYSA-N 1 0 385.552 4.199 50 0 GIAARO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000022783142 221570639 /nfs/dbraw/zinc/57/06/39/221570639.db2.gz CXUNQSWRQVYCDU-UHFFFAOYSA-N 1 0 393.481 4.310 50 0 GIAARO Cc1cccc(N2CC[N@@H+](CCCNc3nc(-c4ccccc4)no3)C[C@@H]2C)c1 ZINC000021629851 221535784 /nfs/dbraw/zinc/53/57/84/221535784.db2.gz ZJKQOGUILIXPRV-IBGZPJMESA-N 1 0 391.519 4.058 50 0 GIAARO Clc1ccccc1Cn1cc(C[NH2+]CCCN2CCOCC2)c2ccccc21 ZINC000028427904 221677217 /nfs/dbraw/zinc/67/72/17/221677217.db2.gz OMMVKACEISLTFW-UHFFFAOYSA-N 1 0 397.950 4.155 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1C ZINC000036344955 221852503 /nfs/dbraw/zinc/85/25/03/221852503.db2.gz WHOYSVQOSVAGLK-QFIPXVFZSA-N 1 0 379.504 4.023 50 0 GIAARO C[C@@H](Sc1nncs1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000055459041 222022672 /nfs/dbraw/zinc/02/26/72/222022672.db2.gz ASQOBXXXAFLOOW-ZIAGYGMSSA-N 1 0 376.551 4.032 50 0 GIAARO CCn1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c2cc(OC)ccc21 ZINC000065060011 222097747 /nfs/dbraw/zinc/09/77/47/222097747.db2.gz LDQPASGJDCOPHH-UHFFFAOYSA-N 1 0 397.563 4.331 50 0 GIAARO O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000058030422 222037728 /nfs/dbraw/zinc/03/77/28/222037728.db2.gz GRYPAXTWVPTZRG-UHFFFAOYSA-N 1 0 394.515 4.040 50 0 GIAARO O=C(N[C@@H]1CCc2ccccc21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000058168029 222042615 /nfs/dbraw/zinc/04/26/15/222042615.db2.gz XSBXZBORHPOUBY-TZIWHRDSSA-N 1 0 388.433 4.245 50 0 GIAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000058163327 222042714 /nfs/dbraw/zinc/04/27/14/222042714.db2.gz DWXQRLADYHGOJL-ZDUSSCGKSA-N 1 0 377.282 4.055 50 0 GIAARO O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000058399794 222052526 /nfs/dbraw/zinc/05/25/26/222052526.db2.gz TYBSREORPPYHTB-IBGZPJMESA-N 1 0 397.569 4.367 50 0 GIAARO O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000058439217 222053830 /nfs/dbraw/zinc/05/38/30/222053830.db2.gz YXLQWYAAQNFQHS-UHFFFAOYSA-N 1 0 384.907 4.229 50 0 GIAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000060318632 222060011 /nfs/dbraw/zinc/06/00/11/222060011.db2.gz DNZMEGUYJALEHF-UHFFFAOYSA-N 1 0 383.879 4.377 50 0 GIAARO CC[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)C1CC1 ZINC000071748398 222189316 /nfs/dbraw/zinc/18/93/16/222189316.db2.gz LJZXNSCWCWXKIL-UHFFFAOYSA-N 1 0 388.943 4.378 50 0 GIAARO O[C@H]1CCC[N@H+](CCCn2cnc(-c3ccccc3)c2-c2cc(F)cc(F)c2)C1 ZINC000065508045 222133735 /nfs/dbraw/zinc/13/37/35/222133735.db2.gz JOZPMVLHYGCRFN-NRFANRHFSA-N 1 0 397.469 4.342 50 0 GIAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C2CC[NH+](C(C)C)CC2)CCO3)s1 ZINC000067804431 222160617 /nfs/dbraw/zinc/16/06/17/222160617.db2.gz PQZUBCNNHWRAPZ-UHFFFAOYSA-N 1 0 386.561 4.496 50 0 GIAARO O=C(c1ccc(Oc2cccc(C[NH+]3CCCC3)c2F)nc1)N1CCCCC1 ZINC000067841175 222161984 /nfs/dbraw/zinc/16/19/84/222161984.db2.gz OMGOLCVGDJILDN-UHFFFAOYSA-N 1 0 383.467 4.235 50 0 GIAARO COc1ccc(-c2n[nH]cc2-c2c(-c3ccccc3)ncn2[C@@H]2CC[NH2+]C2)cc1 ZINC000067847788 222163803 /nfs/dbraw/zinc/16/38/03/222163803.db2.gz MVQNBHHSBYZRQM-GOSISDBHSA-N 1 0 385.471 4.150 50 0 GIAARO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC(CCc2ccccc2)CC1 ZINC000069443197 222172837 /nfs/dbraw/zinc/17/28/37/222172837.db2.gz HGVLHJLNTZUMJY-XMMPIXPASA-N 1 0 391.559 4.165 50 0 GIAARO C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000071375389 222182932 /nfs/dbraw/zinc/18/29/32/222182932.db2.gz LVJQRJOPJBUQCJ-IBGZPJMESA-N 1 0 378.516 4.495 50 0 GIAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc1O ZINC000071730304 222186737 /nfs/dbraw/zinc/18/67/37/222186737.db2.gz QMKFWODLGIXDQL-OAQYLSRUSA-N 1 0 384.495 4.212 50 0 GIAARO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)[nH]n1 ZINC000071736209 222186914 /nfs/dbraw/zinc/18/69/14/222186914.db2.gz PGRUMAMLKKFWOA-OAQYLSRUSA-N 1 0 386.515 4.045 50 0 GIAARO OCCOc1ccccc1C[N@@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071775005 222198432 /nfs/dbraw/zinc/19/84/32/222198432.db2.gz FRIPIBOMYUUUGK-KRWDZBQOSA-N 1 0 375.459 4.181 50 0 GIAARO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)no1 ZINC000072153433 222213583 /nfs/dbraw/zinc/21/35/83/222213583.db2.gz KIYOGTLNUWUTKK-HXUWFJFHSA-N 1 0 387.499 4.310 50 0 GIAARO CC(C)[C@H]1CN(C(=O)c2ncoc2C2CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072169327 222214399 /nfs/dbraw/zinc/21/43/99/222214399.db2.gz FWZDESLWRJCVLN-LJQANCHMSA-N 1 0 385.483 4.064 50 0 GIAARO CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)nc1 ZINC000072435987 222261434 /nfs/dbraw/zinc/26/14/34/222261434.db2.gz BJQUFUXEFKCYTE-DEOSSOPVSA-N 1 0 377.532 4.049 50 0 GIAARO CNC(=O)[C@H]1CCC[N@H+](Cc2cc3cccc(C)c3nc2-c2cccs2)C1 ZINC000072475512 222264829 /nfs/dbraw/zinc/26/48/29/222264829.db2.gz ZSISHBJSHVQLAI-KRWDZBQOSA-N 1 0 379.529 4.230 50 0 GIAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)c3ccc4ncsc4c3)CC2)o1 ZINC000095497159 222332139 /nfs/dbraw/zinc/33/21/39/222332139.db2.gz TWFVNLHIOWTPJH-UHFFFAOYSA-N 1 0 383.517 4.182 50 0 GIAARO CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000077341597 222278828 /nfs/dbraw/zinc/27/88/28/222278828.db2.gz BMXWSSVOCJCPBM-LJQANCHMSA-N 1 0 377.513 4.159 50 0 GIAARO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000084335367 222315285 /nfs/dbraw/zinc/31/52/85/222315285.db2.gz PRIXXNOUECMGSZ-HNNXBMFYSA-N 1 0 394.359 4.425 50 0 GIAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)c3ccc(-c4cnco4)cc3)CC2)o1 ZINC000095521179 222347313 /nfs/dbraw/zinc/34/73/13/222347313.db2.gz IWHPVTWVQNYNQI-UHFFFAOYSA-N 1 0 393.487 4.227 50 0 GIAARO C[N@H+](C[C@H](O)COc1cccc(CN2Cc3ccccc3C2)c1)C1CCCCC1 ZINC000095526387 222350278 /nfs/dbraw/zinc/35/02/78/222350278.db2.gz YZHPRRTVTRWSSM-DEOSSOPVSA-N 1 0 394.559 4.207 50 0 GIAARO Cc1noc(C)c1C[NH2+]C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095525736 222350378 /nfs/dbraw/zinc/35/03/78/222350378.db2.gz YSTMKZBTSATDJR-UHFFFAOYSA-N 1 0 376.913 4.313 50 0 GIAARO CCCCOc1c(Cl)cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1OC ZINC000095963635 222365267 /nfs/dbraw/zinc/36/52/67/222365267.db2.gz YOJCVVZTHZZFGI-UHFFFAOYSA-N 1 0 391.899 4.236 50 0 GIAARO Cc1nn(C)c2nc(NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCC3)sc12 ZINC000096135713 222386622 /nfs/dbraw/zinc/38/66/22/222386622.db2.gz RVDKSAGBELDJSI-HNNXBMFYSA-N 1 0 375.929 4.241 50 0 GIAARO C[C@]1(c2ccccc2F)C[C@H]1[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000097162391 222439854 /nfs/dbraw/zinc/43/98/54/222439854.db2.gz XTLDGBCQDRMMJH-IFMALSPDSA-N 1 0 386.898 4.404 50 0 GIAARO CCC[NH+]1CCC(CNC(=O)N(Cc2ccco2)Cc2ccc(C)s2)CC1 ZINC000157816415 222530246 /nfs/dbraw/zinc/53/02/46/222530246.db2.gz USZKTUFIBTXBHX-UHFFFAOYSA-N 1 0 389.565 4.483 50 0 GIAARO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3-c3ccco3)C[C@H]2N(C)C)cc1 ZINC000095523266 518160255 /nfs/dbraw/zinc/16/02/55/518160255.db2.gz IIHAWLUVBSYBMF-XZOQPEGZSA-N 1 0 376.500 4.485 50 0 GIAARO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCCSc2ccccc2Cl)C[C@@H](C)O1 ZINC000229338187 524976037 /nfs/dbraw/zinc/97/60/37/524976037.db2.gz CUWCYLZBUJHGLP-KZNAEPCWSA-N 1 0 383.001 4.396 50 0 GIAARO CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000426361297 527284923 /nfs/dbraw/zinc/28/49/23/527284923.db2.gz PAASOOIXPDMMBT-UHFFFAOYSA-N 1 0 382.479 4.252 50 0 GIAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCC2CCCC2)CC1 ZINC000058162602 535746976 /nfs/dbraw/zinc/74/69/76/535746976.db2.gz QNTHBOZJZDWZEN-QGZVFWFLSA-N 1 0 375.532 4.115 50 0 GIAARO COc1ccc([C@H](CNC(=O)CCc2c[nH]c3ccccc23)[NH+]2CCCC2)cc1 ZINC000006083808 570209810 /nfs/dbraw/zinc/20/98/10/570209810.db2.gz IFVYWZSWLZTYHG-QHCPKHFHSA-N 1 0 391.515 4.062 50 0 GIAARO O=C(Nc1nc(C(F)(F)F)cs1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000097307872 570210391 /nfs/dbraw/zinc/21/03/91/570210391.db2.gz DKHZGGXILTWMHP-ZDUSSCGKSA-N 1 0 384.427 4.121 50 0 GIAARO CSCCC[NH+]1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1 ZINC000019758156 570216306 /nfs/dbraw/zinc/21/63/06/570216306.db2.gz GDPOOTIEGYPXFI-UHFFFAOYSA-N 1 0 375.563 4.214 50 0 GIAARO Cc1ccc(OCC(=O)N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000019831517 570223101 /nfs/dbraw/zinc/22/31/01/570223101.db2.gz NXGTTWZHODGUFY-UHFFFAOYSA-N 1 0 392.543 4.244 50 0 GIAARO Cc1ccc(CN2CC[N@@H+](Cc3cn(C(C)C)c4ccccc34)C[C@@H]2CCO)o1 ZINC000019838121 570224208 /nfs/dbraw/zinc/22/42/08/570224208.db2.gz MQSKLQJFIXUZJE-NRFANRHFSA-N 1 0 395.547 4.192 50 0 GIAARO Cc1ccc(-n2cc(CN3CC[C@@H]([NH+](C)C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000019839528 570224294 /nfs/dbraw/zinc/22/42/94/570224294.db2.gz VTFQVJXPQJHLPT-JOCHJYFZSA-N 1 0 378.495 4.123 50 0 GIAARO Cc1c(Cl)cccc1NC(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019851084 570225831 /nfs/dbraw/zinc/22/58/31/570225831.db2.gz YGEFSWSRRBZIBW-RMKNXTFCSA-N 1 0 397.950 4.308 50 0 GIAARO O[C@@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019901457 570228721 /nfs/dbraw/zinc/22/87/21/570228721.db2.gz OIWOLRDIJKZZJP-XMMPIXPASA-N 1 0 394.559 4.296 50 0 GIAARO Cc1ccc(NC(=O)NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c(C)c1 ZINC000048299343 570233734 /nfs/dbraw/zinc/23/37/34/570233734.db2.gz NYTFVYODRAJSJU-NRFANRHFSA-N 1 0 377.488 4.103 50 0 GIAARO CCSc1ccccc1NC(=O)N[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000097137362 570237444 /nfs/dbraw/zinc/23/74/44/570237444.db2.gz SVUPKWOHMZDSAK-KRWDZBQOSA-N 1 0 385.533 4.290 50 0 GIAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000020119373 570241373 /nfs/dbraw/zinc/24/13/73/570241373.db2.gz NDDYQLLHERQXBV-JOCHJYFZSA-N 1 0 379.479 4.172 50 0 GIAARO COc1ccc(OCCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000048355915 570244522 /nfs/dbraw/zinc/24/45/22/570244522.db2.gz ZUTVBUHMHPJHFW-IBGZPJMESA-N 1 0 396.531 4.155 50 0 GIAARO Cc1cc(OCc2ccccc2)ccc1-c1ccc(CN2CC[NH+](C)CC2)cn1 ZINC000097568834 570246550 /nfs/dbraw/zinc/24/65/50/570246550.db2.gz VONOHTSABIDTLJ-UHFFFAOYSA-N 1 0 387.527 4.383 50 0 GIAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000020212092 570248684 /nfs/dbraw/zinc/24/86/84/570248684.db2.gz FUYNFWCQALOYBN-OAQYLSRUSA-N 1 0 399.966 4.135 50 0 GIAARO Cc1ccc(C)c(C[NH+]2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)c1 ZINC000020357101 570253090 /nfs/dbraw/zinc/25/30/90/570253090.db2.gz IRUSVCOFUXJQHS-UHFFFAOYSA-N 1 0 376.500 4.036 50 0 GIAARO CCN1CC[NH+](CCCCOc2ccc(Br)cc2C(C)C)CC1 ZINC000020389722 570254040 /nfs/dbraw/zinc/25/40/40/570254040.db2.gz CGWHXNUMGOFBHA-UHFFFAOYSA-N 1 0 383.374 4.369 50 0 GIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(F)c1 ZINC000054956591 570254845 /nfs/dbraw/zinc/25/48/45/570254845.db2.gz GVRCBKDDPJTMAT-UHFFFAOYSA-N 1 0 389.474 4.400 50 0 GIAARO CCOc1c(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Cl)cc1OC ZINC000020476694 570260935 /nfs/dbraw/zinc/26/09/35/570260935.db2.gz WYFKREUTUNCZRN-UHFFFAOYSA-N 1 0 379.884 4.097 50 0 GIAARO CCn1ccnc1C[NH2+]C1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000020541746 570266678 /nfs/dbraw/zinc/26/66/78/570266678.db2.gz NPWYVNJBRYZCPT-UHFFFAOYSA-N 1 0 378.495 4.468 50 0 GIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000020574444 570268853 /nfs/dbraw/zinc/26/88/53/570268853.db2.gz PGUMRZKLUVQKCP-HUUCEWRRSA-N 1 0 383.471 4.204 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874832 570283178 /nfs/dbraw/zinc/28/31/78/570283178.db2.gz LCPHQKAIKLLOCK-SFHVURJKSA-N 1 0 377.912 4.487 50 0 GIAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C)cc1 ZINC000020893165 570283776 /nfs/dbraw/zinc/28/37/76/570283776.db2.gz NUOPDLYCTNLEMB-UHFFFAOYSA-N 1 0 392.503 4.066 50 0 GIAARO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCCN2CC)cc1OCC ZINC000020968202 570285626 /nfs/dbraw/zinc/28/56/26/570285626.db2.gz CXPKESNPZNJJAE-MRXNPFEDSA-N 1 0 399.373 4.211 50 0 GIAARO Cc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)C(C)(C)C)cn3)CC2)cc1 ZINC000034681836 570300176 /nfs/dbraw/zinc/30/01/76/570300176.db2.gz ZOXDXRYDIMMKMV-UHFFFAOYSA-N 1 0 380.536 4.087 50 0 GIAARO COc1cc2c(cc1C[NH+]1CCC(C(N)=O)CC1)oc(C)c2-c1ccccc1 ZINC000022077726 570305163 /nfs/dbraw/zinc/30/51/63/570305163.db2.gz OWFQLOQYOQVGLR-UHFFFAOYSA-N 1 0 378.472 4.114 50 0 GIAARO Cn1cc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000023358954 570322049 /nfs/dbraw/zinc/32/20/49/570322049.db2.gz JCCUHWNEAQBIAH-QFIPXVFZSA-N 1 0 392.522 4.323 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000022679735 570324243 /nfs/dbraw/zinc/32/42/43/570324243.db2.gz QBZJIQNAGBTBFU-SFHVURJKSA-N 1 0 392.421 4.281 50 0 GIAARO Cc1nc(-c2ccccc2)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC000022683200 570324562 /nfs/dbraw/zinc/32/45/62/570324562.db2.gz VBKXNKBFXXWBKK-GOSISDBHSA-N 1 0 383.492 4.290 50 0 GIAARO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OC(C)C)c(OC)c2)cc1OC ZINC000022772861 570327027 /nfs/dbraw/zinc/32/70/27/570327027.db2.gz IMTIZTJDKKKCCN-UHFFFAOYSA-N 1 0 393.911 4.485 50 0 GIAARO C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000022793306 570328211 /nfs/dbraw/zinc/32/82/11/570328211.db2.gz GUNZLIHKKYTFCQ-FZKQIMNGSA-N 1 0 380.319 4.213 50 0 GIAARO COc1cccc(C[NH2+]CCOc2ccccn2)c1OCc1ccc(C)cc1 ZINC000113396215 570331454 /nfs/dbraw/zinc/33/14/54/570331454.db2.gz REOSVASHRDXXNT-UHFFFAOYSA-N 1 0 378.472 4.146 50 0 GIAARO CC(C)Oc1ccc(Br)cc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113401257 570332330 /nfs/dbraw/zinc/33/23/30/570332330.db2.gz JNAXDOJQRQYNJC-UHFFFAOYSA-N 1 0 388.309 4.445 50 0 GIAARO CC(C)[C@H](CNc1nc(-c2ccsc2)nc2ccccc21)[NH+]1CCN(C)CC1 ZINC000022916598 570335134 /nfs/dbraw/zinc/33/51/34/570335134.db2.gz OWZXRRKSEMPDCX-FQEVSTJZSA-N 1 0 395.576 4.042 50 0 GIAARO Cc1ccc2ccc3cc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)[nH]c3c2n1 ZINC000035373876 570346380 /nfs/dbraw/zinc/34/63/80/570346380.db2.gz GGPDWSROJILIDO-UHFFFAOYSA-N 1 0 398.510 4.419 50 0 GIAARO Cc1ccc2ccc3cc(C(=O)N4CCC([NH+]5CCCCC5)CC4)[nH]c3c2n1 ZINC000035373874 570346494 /nfs/dbraw/zinc/34/64/94/570346494.db2.gz LUKYHGJTKGUEHN-UHFFFAOYSA-N 1 0 376.504 4.115 50 0 GIAARO Cc1ccc(C)c(N2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000023282577 570353745 /nfs/dbraw/zinc/35/37/45/570353745.db2.gz AUTZKZNAFCOAFR-UHFFFAOYSA-N 1 0 377.576 4.133 50 0 GIAARO CC(=O)Nc1ccc(CN(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000023358604 570356436 /nfs/dbraw/zinc/35/64/36/570356436.db2.gz BUPXWBVCKHKOSL-XMMPIXPASA-N 1 0 379.548 4.174 50 0 GIAARO COc1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000390826650 570356893 /nfs/dbraw/zinc/35/68/93/570356893.db2.gz OFDGNZYVSUEVPS-GKJHBJHPSA-N 1 0 381.520 4.122 50 0 GIAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2 ZINC000004908232 570361707 /nfs/dbraw/zinc/36/17/07/570361707.db2.gz LEIBYPSZGJTJEU-UHFFFAOYSA-N 1 0 397.588 4.179 50 0 GIAARO CC(C)(C)CC[N@@H+]1CCC[C@H]1c1ccc(C(=O)NCCc2cnccn2)s1 ZINC000023543299 570365210 /nfs/dbraw/zinc/36/52/10/570365210.db2.gz MRENFUUHNFINJO-KRWDZBQOSA-N 1 0 386.565 4.084 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccs1 ZINC000023881790 570374515 /nfs/dbraw/zinc/37/45/15/570374515.db2.gz PDNNXZTXODEYBV-KRWDZBQOSA-N 1 0 378.497 4.405 50 0 GIAARO CC[NH+](CC)CCCNC(=O)c1cc2occc2c(Nc2ccc(OC)cc2)n1 ZINC000035503192 570377760 /nfs/dbraw/zinc/37/77/60/570377760.db2.gz HJKXPPZSQXCQOX-UHFFFAOYSA-N 1 0 396.491 4.042 50 0 GIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000024183072 570380047 /nfs/dbraw/zinc/38/00/47/570380047.db2.gz KGWNTVDWMAPATE-UHFFFAOYSA-N 1 0 392.543 4.296 50 0 GIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 ZINC000006349168 570395536 /nfs/dbraw/zinc/39/55/36/570395536.db2.gz KIFDWMQURDDGGH-OAHLLOKOSA-N 1 0 392.322 4.318 50 0 GIAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH2+]C(C)(C)C)c1ccccc1CC2 ZINC000004728853 570398461 /nfs/dbraw/zinc/39/84/61/570398461.db2.gz MKJYFUZHQOPKOD-UHFFFAOYSA-N 1 0 395.503 4.406 50 0 GIAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)N1CCCCCC1 ZINC000004744873 570401787 /nfs/dbraw/zinc/40/17/87/570401787.db2.gz BAKKADZPEIAHBZ-QGZVFWFLSA-N 1 0 379.342 4.064 50 0 GIAARO Cc1cccc2c1-c1sc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc1CO2 ZINC000005049991 570405583 /nfs/dbraw/zinc/40/55/83/570405583.db2.gz QBOFALRKAMDLKB-OAHLLOKOSA-N 1 0 384.545 4.468 50 0 GIAARO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc2nc(C)cc(C)c12 ZINC000025252724 570409551 /nfs/dbraw/zinc/40/95/51/570409551.db2.gz DPMNTZVNVYPFOP-GOSISDBHSA-N 1 0 379.529 4.226 50 0 GIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COc2ccc(C(C)=O)cc2)cc1 ZINC000025302155 570410251 /nfs/dbraw/zinc/41/02/51/570410251.db2.gz DULHVLGCGBGJSU-QPPBQGQZSA-N 1 0 397.515 4.255 50 0 GIAARO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)COc2ccc(C(C)=O)cc2)cc1 ZINC000025302158 570410340 /nfs/dbraw/zinc/41/03/40/570410340.db2.gz DULHVLGCGBGJSU-ZJSXRUAMSA-N 1 0 397.515 4.255 50 0 GIAARO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000026922363 570429813 /nfs/dbraw/zinc/42/98/13/570429813.db2.gz TZBZWVDSFKYYRC-AWEZNQCLSA-N 1 0 395.286 4.094 50 0 GIAARO COc1cccc(C[N@@H+]2C[C@H](C(=O)NCC3CC3)CC[C@H]2c2ccccc2)c1 ZINC000247919771 570430285 /nfs/dbraw/zinc/43/02/85/570430285.db2.gz XDXWLSYWIJRLAO-GGAORHGYSA-N 1 0 378.516 4.175 50 0 GIAARO O=C(NCCC[NH+]1CCCCCC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953265 570432792 /nfs/dbraw/zinc/43/27/92/570432792.db2.gz SVKGFNXWETVBLC-UHFFFAOYSA-N 1 0 388.515 4.293 50 0 GIAARO Cc1ccc([C@H](CNC(=O)COc2cccc(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000027581686 570436433 /nfs/dbraw/zinc/43/64/33/570436433.db2.gz HSYYIDAVKFWAHG-NRFANRHFSA-N 1 0 386.923 4.371 50 0 GIAARO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580737 570436529 /nfs/dbraw/zinc/43/65/29/570436529.db2.gz MJIIBLQHNSXJMV-KRWDZBQOSA-N 1 0 378.925 4.124 50 0 GIAARO Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C(C)C ZINC000044331652 570436593 /nfs/dbraw/zinc/43/65/93/570436593.db2.gz RHUSLHYGAWSNDT-IBGZPJMESA-N 1 0 395.547 4.276 50 0 GIAARO Cc1cc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)ccc1Cl ZINC000027994746 570449200 /nfs/dbraw/zinc/44/92/00/570449200.db2.gz COOGMUSXSGNMBK-GOSISDBHSA-N 1 0 378.944 4.284 50 0 GIAARO CC[NH+]1CCC(CCNC(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)CC1 ZINC000252487922 570475934 /nfs/dbraw/zinc/47/59/34/570475934.db2.gz IEULPXXMEVEZMU-SFHVURJKSA-N 1 0 383.540 4.044 50 0 GIAARO COc1ccc(C[NH2+]C[C@](C)(O)C(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000072289926 570483052 /nfs/dbraw/zinc/48/30/52/570483052.db2.gz JQNWRPDOEUIWQP-VWLOTQADSA-N 1 0 391.511 4.377 50 0 GIAARO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043746958 570503557 /nfs/dbraw/zinc/50/35/57/570503557.db2.gz MSFYWHVMDIVJMY-WMZOPIPTSA-N 1 0 387.524 4.252 50 0 GIAARO CC1CC[NH+]([C@H](CNC(=O)[C@H]2Cc3ccccc3S2)c2cccs2)CC1 ZINC000022681495 570518837 /nfs/dbraw/zinc/51/88/37/570518837.db2.gz WUVUZYDPPBWKDP-YLJYHZDGSA-N 1 0 386.586 4.354 50 0 GIAARO Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000072307023 570524727 /nfs/dbraw/zinc/52/47/27/570524727.db2.gz COASFCGNTUPJEE-LBPRGKRZSA-N 1 0 381.398 4.486 50 0 GIAARO COc1cccc([C@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)[NH+]2CCCC2)c1 ZINC000006670207 570528643 /nfs/dbraw/zinc/52/86/43/570528643.db2.gz ZYPHUSHKGQSNFC-QHCPKHFHSA-N 1 0 391.515 4.360 50 0 GIAARO C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC(Sc2ccccn2)CC1 ZINC000072308940 570529297 /nfs/dbraw/zinc/52/92/97/570529297.db2.gz GARFVTABUZVQJM-AWEZNQCLSA-N 1 0 398.557 4.275 50 0 GIAARO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103553 570540119 /nfs/dbraw/zinc/54/01/19/570540119.db2.gz JGEVATDRWVHDKM-QFIPXVFZSA-N 1 0 375.468 4.021 50 0 GIAARO CC(C)Cn1cc(NC(=O)NCCC[NH+]2CCCCCC2)c2ccccc2c1=O ZINC000006724988 570552839 /nfs/dbraw/zinc/55/28/39/570552839.db2.gz DCKTWLRLSIYTQO-UHFFFAOYSA-N 1 0 398.551 4.045 50 0 GIAARO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)o2)cc1 ZINC000032970905 570554923 /nfs/dbraw/zinc/55/49/23/570554923.db2.gz WFAJUZJAAOBGMT-QGZVFWFLSA-N 1 0 382.485 4.243 50 0 GIAARO O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1F ZINC000022907744 570564322 /nfs/dbraw/zinc/56/43/22/570564322.db2.gz RQVZROCCDDLBOL-HXUWFJFHSA-N 1 0 380.488 4.417 50 0 GIAARO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000225409623 570570616 /nfs/dbraw/zinc/57/06/16/570570616.db2.gz NHPHCBOMXGUBIK-BEFAXECRSA-N 1 0 381.524 4.087 50 0 GIAARO Cc1cc(C)c2c(n1)sc1c2ncnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000006759133 570574390 /nfs/dbraw/zinc/57/43/90/570574390.db2.gz AKRGHPBIKIQOHY-UHFFFAOYSA-N 1 0 381.549 4.311 50 0 GIAARO CCOc1cc(C[NH2+]CCN(C)C)ccc1OCc1c(F)cccc1Cl ZINC000040720246 570604588 /nfs/dbraw/zinc/60/45/88/570604588.db2.gz SJMKFQHXJHIHQS-UHFFFAOYSA-N 1 0 380.891 4.108 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040722918 570607260 /nfs/dbraw/zinc/60/72/60/570607260.db2.gz VLTQRBNCRHXYEV-UHFFFAOYSA-N 1 0 390.886 4.160 50 0 GIAARO COc1ccccc1C[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040733156 570609407 /nfs/dbraw/zinc/60/94/07/570609407.db2.gz JARMDJAYHBRLSN-UHFFFAOYSA-N 1 0 390.483 4.311 50 0 GIAARO COCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1C ZINC000040739420 570611117 /nfs/dbraw/zinc/61/11/17/570611117.db2.gz NGBUFGSEUIGJQE-UHFFFAOYSA-N 1 0 378.310 4.463 50 0 GIAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)C1(n2cccc2)CCCCC1 ZINC000033019353 570639616 /nfs/dbraw/zinc/63/96/16/570639616.db2.gz OZEFPYZHENBALS-UHFFFAOYSA-N 1 0 393.575 4.218 50 0 GIAARO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000072313900 570652585 /nfs/dbraw/zinc/65/25/85/570652585.db2.gz VBBDDTIBBYHHIB-QGZVFWFLSA-N 1 0 385.920 4.327 50 0 GIAARO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCCSc2ccccc2Cl)C[C@H](C)O1 ZINC000229338197 570663993 /nfs/dbraw/zinc/66/39/93/570663993.db2.gz CUWCYLZBUJHGLP-FGTMMUONSA-N 1 0 383.001 4.396 50 0 GIAARO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000229583253 570665761 /nfs/dbraw/zinc/66/57/61/570665761.db2.gz WRTUEGUHJIBRCH-PZJWPPBQSA-N 1 0 399.629 4.275 50 0 GIAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1nc2ccccc2[nH]1 ZINC000036394398 570679118 /nfs/dbraw/zinc/67/91/18/570679118.db2.gz KCJFDLJMVNKCQM-SFHVURJKSA-N 1 0 390.531 4.186 50 0 GIAARO O[C@@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)COCc1ccccc1Cl ZINC000036396213 570679713 /nfs/dbraw/zinc/67/97/13/570679713.db2.gz YJZKYLICWBIDMW-MAUKXSAKSA-N 1 0 381.900 4.183 50 0 GIAARO CC(=O)c1cc(CCC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)oc1C ZINC000036397837 570682655 /nfs/dbraw/zinc/68/26/55/570682655.db2.gz BXNRJBDEXZNHQB-QGZVFWFLSA-N 1 0 396.531 4.414 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCOc2ccccc2F)cc1 ZINC000057984828 570704984 /nfs/dbraw/zinc/70/49/84/570704984.db2.gz GORIYPUTDOQKGU-GOSISDBHSA-N 1 0 384.495 4.285 50 0 GIAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(F)cc3)nc21 ZINC000004359731 570706305 /nfs/dbraw/zinc/70/63/05/570706305.db2.gz WXHFCJUWXSUKNZ-UHFFFAOYSA-N 1 0 387.480 4.043 50 0 GIAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cccc(C)c3)nc21 ZINC000004359723 570706337 /nfs/dbraw/zinc/70/63/37/570706337.db2.gz DXUIBDIFKISYAL-UHFFFAOYSA-N 1 0 383.517 4.212 50 0 GIAARO CCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000006997386 570733020 /nfs/dbraw/zinc/73/30/20/570733020.db2.gz CZZYIAPGJUVGOL-JOCHJYFZSA-N 1 0 382.504 4.051 50 0 GIAARO C[N@H+](CCNC(=O)c1sc2ncccc2c1-n1cccc1)C1CCCCC1 ZINC000033059865 570746933 /nfs/dbraw/zinc/74/69/33/570746933.db2.gz QGHRTTSSCOHTCG-UHFFFAOYSA-N 1 0 382.533 4.081 50 0 GIAARO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000007050191 570764620 /nfs/dbraw/zinc/76/46/20/570764620.db2.gz ISEHVGNEEIPEPO-LBPRGKRZSA-N 1 0 396.299 4.219 50 0 GIAARO Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1C ZINC000007050185 570764855 /nfs/dbraw/zinc/76/48/55/570764855.db2.gz JIRQUMJYSPDACY-SFHVURJKSA-N 1 0 383.517 4.145 50 0 GIAARO Cc1csc2nc(C[N@@H+](Cc3ccc(Cl)cc3)CC(C)C)cc(=O)n12 ZINC000033068918 570768427 /nfs/dbraw/zinc/76/84/27/570768427.db2.gz PIJMGCKKSFJTKC-UHFFFAOYSA-N 1 0 375.925 4.376 50 0 GIAARO COc1c(Cl)cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1Cl ZINC000006027130 570815341 /nfs/dbraw/zinc/81/53/41/570815341.db2.gz GDZCIGNHYZCJMY-UHFFFAOYSA-N 1 0 394.302 4.006 50 0 GIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Br)s1 ZINC000036883666 570823356 /nfs/dbraw/zinc/82/33/56/570823356.db2.gz DUUMNFADBQVOOK-AWEZNQCLSA-N 1 0 379.323 4.078 50 0 GIAARO CCOc1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2CCOC)cc1OC ZINC000004679246 570825506 /nfs/dbraw/zinc/82/55/06/570825506.db2.gz BWBLMEPLRBYRHS-UHFFFAOYSA-N 1 0 399.466 4.355 50 0 GIAARO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000007486660 570850803 /nfs/dbraw/zinc/85/08/03/570850803.db2.gz XGUSHDHRGREEFZ-KRWDZBQOSA-N 1 0 395.503 4.151 50 0 GIAARO Cc1csc(C2=C(N)N(CCC3CC[NH+](Cc4ccccc4)CC3)CC2=O)n1 ZINC000102734877 570859921 /nfs/dbraw/zinc/85/99/21/570859921.db2.gz PEBNGEHXRFEEDQ-UHFFFAOYSA-N 1 0 396.560 4.316 50 0 GIAARO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)Cc3coc4cc(C)ccc34)C1)CCCC2 ZINC000170602024 570860275 /nfs/dbraw/zinc/86/02/75/570860275.db2.gz HDSDVAVRNXTSRO-SFHVURJKSA-N 1 0 377.488 4.141 50 0 GIAARO CCCOc1ccc([C@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1OCCC ZINC000170615738 570873413 /nfs/dbraw/zinc/87/34/13/570873413.db2.gz WVXWRTGEEXXKRI-KRWDZBQOSA-N 1 0 388.552 4.316 50 0 GIAARO Cc1ccc(-c2noc3ncnc(N(CC[NH+](C)C)Cc4ccccc4)c23)cc1 ZINC000033269115 570894787 /nfs/dbraw/zinc/89/47/87/570894787.db2.gz YRQGYILVHVTDBH-UHFFFAOYSA-N 1 0 387.487 4.161 50 0 GIAARO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000097117212 570897861 /nfs/dbraw/zinc/89/78/61/570897861.db2.gz HPNCRHLLPGTFNC-UHFFFAOYSA-N 1 0 380.513 4.129 50 0 GIAARO C[N@H+](CCCNC(=O)c1cccnc1Sc1ccccc1)Cc1ccccc1 ZINC000022507277 570900506 /nfs/dbraw/zinc/90/05/06/570900506.db2.gz GDGJYRBDHHTKAR-UHFFFAOYSA-N 1 0 391.540 4.485 50 0 GIAARO CC1CC[NH+]([C@@H](CNc2ccc(C(=O)N3CCCC3)cn2)c2cccs2)CC1 ZINC000032908979 570909879 /nfs/dbraw/zinc/90/98/79/570909879.db2.gz PBSXKEWSTDMLTC-IBGZPJMESA-N 1 0 398.576 4.264 50 0 GIAARO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000089702560 570910112 /nfs/dbraw/zinc/91/01/12/570910112.db2.gz JVLHRNVWYZTSNN-HXUWFJFHSA-N 1 0 396.441 4.169 50 0 GIAARO C[NH+](C)CCCN(C(=O)CSc1ccccc1)c1nc2ccccc2s1 ZINC000004585252 570916221 /nfs/dbraw/zinc/91/62/21/570916221.db2.gz JFOVOTQPUWEYQK-UHFFFAOYSA-N 1 0 385.558 4.373 50 0 GIAARO O=S(=O)(CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000089830195 570916596 /nfs/dbraw/zinc/91/65/96/570916596.db2.gz LWDRUYAQNDHQBQ-HSZRJFAPSA-N 1 0 379.525 4.424 50 0 GIAARO C[NH+](C)CCN(C(=O)CCSc1ccccc1)c1nc2ccccc2s1 ZINC000004585296 570916683 /nfs/dbraw/zinc/91/66/83/570916683.db2.gz UNTPRAJALDALEQ-UHFFFAOYSA-N 1 0 385.558 4.373 50 0 GIAARO C[C@@H](c1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1)[NH+]1CCOCC1 ZINC000534662694 570922166 /nfs/dbraw/zinc/92/21/66/570922166.db2.gz BZXBTAIRPILNIG-IBGZPJMESA-N 1 0 378.516 4.373 50 0 GIAARO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(Cl)nc1C)c1ccccc1Cl ZINC000089967814 570922302 /nfs/dbraw/zinc/92/23/02/570922302.db2.gz ZBMJWKLKRFXXDK-GOSISDBHSA-N 1 0 394.346 4.439 50 0 GIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCOc2ccc(I)cc2)C1 ZINC000002822280 570933247 /nfs/dbraw/zinc/93/32/47/570933247.db2.gz AYENYAAILQYWOI-GASCZTMLSA-N 1 0 387.305 4.428 50 0 GIAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@H+](CCCC(F)(F)F)C2 ZINC000012092668 570958779 /nfs/dbraw/zinc/95/87/79/570958779.db2.gz FPFWREPGEPBOJS-GOSISDBHSA-N 1 0 390.396 4.122 50 0 GIAARO C[C@H](Sc1nncs1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000252458341 570959279 /nfs/dbraw/zinc/95/92/79/570959279.db2.gz ASQOBXXXAFLOOW-KGLIPLIRSA-N 1 0 376.551 4.032 50 0 GIAARO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000019227159 570963752 /nfs/dbraw/zinc/96/37/52/570963752.db2.gz CYONRDXBEYTDII-AREMUKBSSA-N 1 0 392.587 4.358 50 0 GIAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000019223488 570964098 /nfs/dbraw/zinc/96/40/98/570964098.db2.gz SWPGHRMRGKRBKA-SFHVURJKSA-N 1 0 386.492 4.275 50 0 GIAARO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000084064622 570992546 /nfs/dbraw/zinc/99/25/46/570992546.db2.gz AMHRMNSHAWDROM-OAHLLOKOSA-N 1 0 397.466 4.350 50 0 GIAARO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000170670515 571007481 /nfs/dbraw/zinc/00/74/81/571007481.db2.gz WIMVNEJMIPILMQ-WMLDXEAASA-N 1 0 380.301 4.275 50 0 GIAARO Cc1cnn(-c2cccc(NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000084265380 571010537 /nfs/dbraw/zinc/01/05/37/571010537.db2.gz JAEJEVHMOWRICX-UHFFFAOYSA-N 1 0 381.911 4.306 50 0 GIAARO O=C1CC[C@@]2(CCC[N@H+](CCSc3ccccc3)C2)CN1Cc1ccccn1 ZINC000091494064 571011350 /nfs/dbraw/zinc/01/13/50/571011350.db2.gz XGQZZIXPIUVBRU-HSZRJFAPSA-N 1 0 395.572 4.079 50 0 GIAARO COc1ccc(C[NH+]2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000019608469 571021768 /nfs/dbraw/zinc/02/17/68/571021768.db2.gz OJWFISVKKJHOQF-UHFFFAOYSA-N 1 0 377.887 4.305 50 0 GIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000091893311 571035271 /nfs/dbraw/zinc/03/52/71/571035271.db2.gz WNJBNSSJRSRCLT-HXUWFJFHSA-N 1 0 378.516 4.124 50 0 GIAARO CC(C)CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC000092078389 571044413 /nfs/dbraw/zinc/04/44/13/571044413.db2.gz GNIYCXJBKMOWBL-UHFFFAOYSA-N 1 0 378.973 4.130 50 0 GIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(O)c3)CC2)C1 ZINC000092081337 571044448 /nfs/dbraw/zinc/04/44/48/571044448.db2.gz NYJZDVWGYVVFHL-NRFANRHFSA-N 1 0 378.516 4.124 50 0 GIAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccn3C3CC3)CC2)C1 ZINC000095362631 571056556 /nfs/dbraw/zinc/05/65/56/571056556.db2.gz OUEVLYLBDWQRTE-HXUWFJFHSA-N 1 0 377.532 4.165 50 0 GIAARO CN(Cc1cc(-c2ccccc2)on1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095365735 571057870 /nfs/dbraw/zinc/05/78/70/571057870.db2.gz KNCGKOXOSNPJHW-HXUWFJFHSA-N 1 0 375.472 4.081 50 0 GIAARO O=C(c1cc2ccccc2[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095365333 571057957 /nfs/dbraw/zinc/05/79/57/571057957.db2.gz WSNCBHUMELMQLE-FXAWDEMLSA-N 1 0 377.463 4.044 50 0 GIAARO CCOc1cc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)ccc1OC ZINC000095368409 571059702 /nfs/dbraw/zinc/05/97/02/571059702.db2.gz HYTOYSZRZYTLCE-FCHUYYIVSA-N 1 0 380.532 4.190 50 0 GIAARO COc1ccc([C@@H]2CN(C(=O)Nc3ccc(C)cc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095370021 571060258 /nfs/dbraw/zinc/06/02/58/571060258.db2.gz SDCJJWKHAOVFKK-YTFSRNRJSA-N 1 0 391.515 4.098 50 0 GIAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 ZINC000095373619 571062923 /nfs/dbraw/zinc/06/29/23/571062923.db2.gz MPBIPEKFMLYYGG-HSZRJFAPSA-N 1 0 390.531 4.009 50 0 GIAARO COc1ccc([C@@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@H]2[NH+](C)C)cc1 ZINC000095376086 571064367 /nfs/dbraw/zinc/06/43/67/571064367.db2.gz VOHKFBBVEBOJTQ-AZUAARDMSA-N 1 0 381.907 4.431 50 0 GIAARO COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441853 823149808 /nfs/dbraw/zinc/14/98/08/823149808.db2.gz AWADIXLCOOLHKY-QGZVFWFLSA-N 1 0 399.510 4.168 50 0 GIAARO O=C(NC[C@@H]1C[N@H+](CC2CC2)CC12CCCCC2)Nc1cc(F)ccc1F ZINC000409421333 823220950 /nfs/dbraw/zinc/22/09/50/823220950.db2.gz IWMCLRULBYVWOE-MRXNPFEDSA-N 1 0 377.479 4.379 50 0 GIAARO CCCc1nc2sc3c(ncnc3NCC[NH+](CC)CC)c2c2c1CCC2 ZINC000002408276 817387379 /nfs/dbraw/zinc/38/73/79/817387379.db2.gz UQJPGHABHZDZMO-UHFFFAOYSA-N 1 0 383.565 4.434 50 0 GIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+]CC2CCCCC2)cc1 ZINC000002634939 817394669 /nfs/dbraw/zinc/39/46/69/817394669.db2.gz DITOCQIQPCYFNQ-UHFFFAOYSA-N 1 0 395.503 4.056 50 0 GIAARO Cc1ccc(Cl)cc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000002934089 817406812 /nfs/dbraw/zinc/40/68/12/817406812.db2.gz YKNQZDJPYCBOEA-HNNXBMFYSA-N 1 0 376.957 4.365 50 0 GIAARO COc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)cc1Cl ZINC000003049906 817415015 /nfs/dbraw/zinc/41/50/15/817415015.db2.gz BYIWVANEUDPIKF-AWEZNQCLSA-N 1 0 392.956 4.065 50 0 GIAARO COc1ccc([C@@H](CNc2nc(-c3cccnc3)nc3ccccc32)[NH+](C)C)cc1 ZINC000003411824 817451302 /nfs/dbraw/zinc/45/13/02/817451302.db2.gz LPXXLDUTBILXBZ-JOCHJYFZSA-N 1 0 399.498 4.415 50 0 GIAARO Fc1ccccc1NC(=S)N(CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000003665644 817494096 /nfs/dbraw/zinc/49/40/96/817494096.db2.gz CMOAXABYSIKQNB-UHFFFAOYSA-N 1 0 375.513 4.494 50 0 GIAARO C[NH+](C)CCCNC(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000004085197 817501895 /nfs/dbraw/zinc/50/18/95/817501895.db2.gz ZZJOTYVKOBLDMI-FMIVXFBMSA-N 1 0 390.886 4.139 50 0 GIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3C=C12 ZINC000004087517 817502324 /nfs/dbraw/zinc/50/23/24/817502324.db2.gz QAWLQHTXXUNGCV-AFFJLAOCSA-N 1 0 398.591 4.171 50 0 GIAARO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Cl ZINC000004122654 817505646 /nfs/dbraw/zinc/50/56/46/817505646.db2.gz XVHOUGZMQOEKLJ-UHFFFAOYSA-N 1 0 387.936 4.453 50 0 GIAARO CC[NH+](CC)CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000006720178 817717430 /nfs/dbraw/zinc/71/74/30/817717430.db2.gz RVLWIQRESFNYDV-UHFFFAOYSA-N 1 0 387.936 4.473 50 0 GIAARO Cc1ccnn1-c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007941406 817965776 /nfs/dbraw/zinc/96/57/76/817965776.db2.gz YTFGIFRFUNVRIA-UHFFFAOYSA-N 1 0 388.515 4.097 50 0 GIAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@H](Cn2cccn2)c2ccccc2)c(F)c1 ZINC000011936701 818130065 /nfs/dbraw/zinc/13/00/65/818130065.db2.gz DDNFSQPOOHTOLB-HXUWFJFHSA-N 1 0 379.414 4.083 50 0 GIAARO O=C(Cc1cccs1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057622089 823316158 /nfs/dbraw/zinc/31/61/58/823316158.db2.gz FXKKANJVRNSMDK-UHFFFAOYSA-N 1 0 391.540 4.252 50 0 GIAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2=O)c1 ZINC000012715259 818177684 /nfs/dbraw/zinc/17/76/84/818177684.db2.gz ZWUVQDZRNRMAOR-QFIPXVFZSA-N 1 0 384.545 4.080 50 0 GIAARO Cc1nc(C[N@@H+](C)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)cs1 ZINC000014994625 818281283 /nfs/dbraw/zinc/28/12/83/818281283.db2.gz IVTKKRMQHXAANW-GOSISDBHSA-N 1 0 377.941 4.118 50 0 GIAARO O=C(NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)[C@H]1CC=CCC1 ZINC000019744242 818604245 /nfs/dbraw/zinc/60/42/45/818604245.db2.gz SNVHGOXVZNCFJA-NZQKXSOJSA-N 1 0 376.500 4.095 50 0 GIAARO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019758318 818605278 /nfs/dbraw/zinc/60/52/78/818605278.db2.gz DXXQCWIIYLPKGD-TZIWHRDSSA-N 1 0 379.529 4.356 50 0 GIAARO Cc1ccc([C@](O)(c2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440671 818621305 /nfs/dbraw/zinc/62/13/05/818621305.db2.gz BBUXSGAOMXEODN-CLJLJLNGSA-N 1 0 387.523 4.347 50 0 GIAARO COc1ccc([C@](O)(CCC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440815 818621412 /nfs/dbraw/zinc/62/14/12/818621412.db2.gz YTUJAJLUZJTQQQ-JWQCQUIFSA-N 1 0 397.559 4.435 50 0 GIAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)c1OC ZINC000020454479 818622075 /nfs/dbraw/zinc/62/20/75/818622075.db2.gz NYUDFZQPHBHPOI-QFIPXVFZSA-N 1 0 386.561 4.253 50 0 GIAARO c1cc(C[NH2+]CCc2ccccc2)n(-c2nnc(N3CCCCCC3)s2)c1 ZINC000020576835 818626004 /nfs/dbraw/zinc/62/60/04/818626004.db2.gz UMXIXRYCTUVVEQ-UHFFFAOYSA-N 1 0 381.549 4.042 50 0 GIAARO CSc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000020599013 818626434 /nfs/dbraw/zinc/62/64/34/818626434.db2.gz XKKFYYORFPMKRU-QFIPXVFZSA-N 1 0 381.589 4.195 50 0 GIAARO COc1cccc(-c2nnc3sc(C[N@@H+]4CCc5ccccc5C4)cn32)c1 ZINC000020605399 818627142 /nfs/dbraw/zinc/62/71/42/818627142.db2.gz PWOXVDQGCUJBLG-UHFFFAOYSA-N 1 0 376.485 4.025 50 0 GIAARO COc1cc2c(cc1C[NH2+]Cc1cccnc1-n1cnc3ccccc31)CCC2 ZINC000020784293 818631343 /nfs/dbraw/zinc/63/13/43/818631343.db2.gz FYPPJDCINHENJV-UHFFFAOYSA-N 1 0 384.483 4.208 50 0 GIAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C4CCSCC4)CC3)cc2)n1 ZINC000020782430 818631395 /nfs/dbraw/zinc/63/13/95/818631395.db2.gz CZOYARQDDRJQSC-UHFFFAOYSA-N 1 0 398.576 4.035 50 0 GIAARO Cc1c(Cl)cccc1NC(=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000020889710 818635889 /nfs/dbraw/zinc/63/58/89/818635889.db2.gz BENQCSNDSOKANR-UHFFFAOYSA-N 1 0 392.975 4.110 50 0 GIAARO COc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020890022 818635971 /nfs/dbraw/zinc/63/59/71/818635971.db2.gz YKBGOWSUFYCRCN-UHFFFAOYSA-N 1 0 387.911 4.382 50 0 GIAARO OCC[C@H]1CN(Cc2ccccc2-c2ccco2)CC[N@@H+]1Cc1cccs1 ZINC000020920171 818640213 /nfs/dbraw/zinc/64/02/13/818640213.db2.gz WSIUPGFNYASBSR-IBGZPJMESA-N 1 0 382.529 4.077 50 0 GIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934550 818757310 /nfs/dbraw/zinc/75/73/10/818757310.db2.gz YOPGKTDYKHOGKL-GOSISDBHSA-N 1 0 388.515 4.291 50 0 GIAARO O=C(/C=C/c1nc2ccccc2o1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058248623 823371717 /nfs/dbraw/zinc/37/17/17/823371717.db2.gz IHDGADSNIZJLQG-MDZDMXLPSA-N 1 0 395.890 4.275 50 0 GIAARO CC[C@H](CNC(=O)c1ccccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000032445816 820946122 /nfs/dbraw/zinc/94/61/22/820946122.db2.gz YSTLSPFVEOLIRZ-QGZVFWFLSA-N 1 0 387.321 4.016 50 0 GIAARO C[N@H+]1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(F)c2)/C(=C\c2cccc(F)c2)C1 ZINC000033351923 821055583 /nfs/dbraw/zinc/05/55/83/821055583.db2.gz ABJNAKNMXMXAFN-RCZJECKNSA-N 1 0 391.421 4.056 50 0 GIAARO COc1ccc(-c2nc(C[N@H+](CC3CC3)C[C@@H]3CCCO3)c(C)o2)c(OC)c1 ZINC000039429903 821105923 /nfs/dbraw/zinc/10/59/23/821105923.db2.gz PLHBQRDYHJOIEO-SFHVURJKSA-N 1 0 386.492 4.058 50 0 GIAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000040060387 821129622 /nfs/dbraw/zinc/12/96/22/821129622.db2.gz MEPGVTYHISLYPM-JOCHJYFZSA-N 1 0 398.934 4.192 50 0 GIAARO O=C(CCOc1cccc(F)c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000040069723 821130107 /nfs/dbraw/zinc/13/01/07/821130107.db2.gz YRKXWYKFFHPJFV-UHFFFAOYSA-N 1 0 390.886 4.029 50 0 GIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)c1ccsc1 ZINC000040103834 821137031 /nfs/dbraw/zinc/13/70/31/821137031.db2.gz RYMYSDDLZZAADV-KRWDZBQOSA-N 1 0 389.521 4.114 50 0 GIAARO COc1cccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1OC ZINC000040121396 821143325 /nfs/dbraw/zinc/14/33/25/821143325.db2.gz ZFXIYRVOKXWVAI-ROUUACIJSA-N 1 0 396.531 4.112 50 0 GIAARO COc1ccc([C@H](CNC(=O)CCOc2ccccc2C)[NH+]2CCCCC2)cc1 ZINC000040160821 821153578 /nfs/dbraw/zinc/15/35/78/821153578.db2.gz ABZBKCTWHRYXND-QFIPXVFZSA-N 1 0 396.531 4.116 50 0 GIAARO CC(C)(C)[NH+]1CCC(NCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000174407021 822786133 /nfs/dbraw/zinc/78/61/33/822786133.db2.gz TXAGXIUELIUCQG-LJQANCHMSA-N 1 0 380.960 4.250 50 0 GIAARO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)CCO1 ZINC000124335024 823588127 /nfs/dbraw/zinc/58/81/27/823588127.db2.gz IATZBMXNQYQTRC-SFHVURJKSA-N 1 0 395.503 4.196 50 0 GIAARO C[N@H+](Cc1ccc(Cl)c2cccnc12)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191770381 823762323 /nfs/dbraw/zinc/76/23/23/823762323.db2.gz KQDWMCVOMFMWFX-FQEVSTJZSA-N 1 0 379.891 4.121 50 0 GIAARO C[N@H+](Cc1ccccc1)[C@H]1CCOC2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000169792415 823916458 /nfs/dbraw/zinc/91/64/58/823916458.db2.gz VKRWNJYFIPTEEQ-FQEVSTJZSA-N 1 0 384.545 4.034 50 0 GIAARO Cc1ncsc1C[N@@H+]1CC[C@H](Oc2ccccc2-c2nc(C3CC3)no2)C1 ZINC000575314958 823952705 /nfs/dbraw/zinc/95/27/05/823952705.db2.gz UNEJOOMPWYDMJJ-HNNXBMFYSA-N 1 0 382.489 4.032 50 0 GIAARO COc1ccc(CCC(=O)N2CCC(Cc3[nH+]cc(C)n3CC3CC3)CC2)cc1 ZINC000575317721 823953799 /nfs/dbraw/zinc/95/37/99/823953799.db2.gz YFIUOWASECDOPM-UHFFFAOYSA-N 1 0 395.547 4.024 50 0 GIAARO COCCO[C@@H]1CN(C2CC[NH+](Cc3cccc(C)c3)CC2)C12CCCCC2 ZINC000575317580 823953990 /nfs/dbraw/zinc/95/39/90/823953990.db2.gz YTPXFJXAHRYDNA-HSZRJFAPSA-N 1 0 386.580 4.010 50 0 GIAARO COc1cccc(C[N@@H+]2CCC[C@H](Cn3c(C)cnc3C3CCOCC3)C2)c1 ZINC000575547750 823976623 /nfs/dbraw/zinc/97/66/23/823976623.db2.gz VFTHUADGSCOJDW-FQEVSTJZSA-N 1 0 383.536 4.006 50 0 GIAARO C[C@H](O)c1cccc(-c2cccc(C(=O)NCC3([NH+](C)C)CCCCC3)c2)c1 ZINC000426387295 231211844 /nfs/dbraw/zinc/21/18/44/231211844.db2.gz NWRFQCIQELUTPO-SFHVURJKSA-N 1 0 380.532 4.401 50 0 GIAARO O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000010434671 212256108 /nfs/dbraw/zinc/25/61/08/212256108.db2.gz VJUUVEOHITUAOC-NIRFSVBPSA-N 1 0 383.576 4.287 50 0 GIAARO O=C(c1cccc2ccccc21)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000001457258 212245645 /nfs/dbraw/zinc/24/56/45/212245645.db2.gz KUXCNYSBVCVBQI-UHFFFAOYSA-N 1 0 399.538 4.267 50 0 GIAARO CC(C)[NH+]1CCC(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)CC1 ZINC000010125668 212237545 /nfs/dbraw/zinc/23/75/45/212237545.db2.gz IFWGBNNWWZLKOS-UHFFFAOYSA-N 1 0 375.516 4.297 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(C)c(C)c3)C[C@@H]21 ZINC000010214614 212237135 /nfs/dbraw/zinc/23/71/35/212237135.db2.gz BERCESRIJBEJIJ-NRFANRHFSA-N 1 0 391.515 4.277 50 0 GIAARO Cc1ccc([C@H]2C3=C(NCC[NH+]=C3c3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000001088375 212217061 /nfs/dbraw/zinc/21/70/61/212217061.db2.gz PSIIUYQKJREXOJ-VWLOTQADSA-N 1 0 393.490 4.430 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000000934809 212196937 /nfs/dbraw/zinc/19/69/37/212196937.db2.gz COJGFLIDNHPGAT-LJQANCHMSA-N 1 0 397.906 4.314 50 0 GIAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1cccc(OC)c1OC ZINC000000809664 212183761 /nfs/dbraw/zinc/18/37/61/212183761.db2.gz PJJFYCLVBRWZBW-UHFFFAOYSA-N 1 0 382.508 4.007 50 0 GIAARO CCOC(=O)c1c(NC(=O)CC[NH+]2CCCCC2)sc2c1CCCCC2 ZINC000000719377 212177861 /nfs/dbraw/zinc/17/78/61/212177861.db2.gz SZHIARXWUKVIIW-UHFFFAOYSA-N 1 0 378.538 4.008 50 0 GIAARO CC(C)CCN1c2ccccc2[C@]2(NCCc3c4cc(F)ccc4[nH]c32)C1=O ZINC000020064207 212150295 /nfs/dbraw/zinc/15/02/95/212150295.db2.gz VKWFIOZHRZLGMJ-HSZRJFAPSA-N 1 0 377.463 4.089 50 0 GIAARO CC(C)CN1c2ccccc2[C@@]2(NCCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020064224 212149651 /nfs/dbraw/zinc/14/96/51/212149651.db2.gz ARHLOGRKVUNYLW-QFIPXVFZSA-N 1 0 379.891 4.213 50 0 GIAARO Cc1cncc(N(Cc2ncc[nH]2)C(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000328589933 212080626 /nfs/dbraw/zinc/08/06/26/212080626.db2.gz ULQAORXBRVIFLC-UHFFFAOYSA-N 1 0 375.259 4.196 50 0 GIAARO Cc1ccc(Sc2cc(C(=O)NCCC[NH+](C)C)c3ccccc3n2)cc1 ZINC000003035121 220597955 /nfs/dbraw/zinc/59/79/55/220597955.db2.gz DCHIGJKFAJLWRP-UHFFFAOYSA-N 1 0 379.529 4.376 50 0 GIAARO CC1(C)CC(NC(=O)c2cccnc2-c2nc3ccccc3s2)CC(C)(C)[NH2+]1 ZINC000005322190 220857821 /nfs/dbraw/zinc/85/78/21/220857821.db2.gz OTOXKMKGTNYIBY-UHFFFAOYSA-N 1 0 394.544 4.397 50 0 GIAARO C[NH+](C)C[C@H](NC(=O)/C=C/c1cc(Br)ccc1F)c1ccccc1 ZINC000007817747 221013054 /nfs/dbraw/zinc/01/30/54/221013054.db2.gz OPBBELZPZJYMCZ-MZEUMTGBSA-N 1 0 391.284 4.021 50 0 GIAARO C[NH+]1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000007814897 221013601 /nfs/dbraw/zinc/01/36/01/221013601.db2.gz QQZUUTNTYZJAHO-UHFFFAOYSA-N 1 0 396.585 4.224 50 0 GIAARO C[NH+](C)C[C@@H](NC(=O)/C=C/c1cc(Br)ccc1F)c1ccccc1 ZINC000007817750 221013708 /nfs/dbraw/zinc/01/37/08/221013708.db2.gz OPBBELZPZJYMCZ-VEGGFIAOSA-N 1 0 391.284 4.021 50 0 GIAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007540499 221000897 /nfs/dbraw/zinc/00/08/97/221000897.db2.gz UKGYBCKUKXPBOY-UHFFFAOYSA-N 1 0 398.319 4.049 50 0 GIAARO COc1ccc([C@H](CNC(=S)Nc2cc(C)cc(C)c2)[NH+]2CCCC2)cc1 ZINC000007583786 221002209 /nfs/dbraw/zinc/00/22/09/221002209.db2.gz YVVUUONKQWUEBY-NRFANRHFSA-N 1 0 383.561 4.436 50 0 GIAARO CCOCCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000008253156 221032760 /nfs/dbraw/zinc/03/27/60/221032760.db2.gz LKZUGYNTKWAZTP-UHFFFAOYSA-N 1 0 395.135 4.127 50 0 GIAARO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254583 221033463 /nfs/dbraw/zinc/03/34/63/221033463.db2.gz YJOKXSRZVRLBDA-CYBMUJFWSA-N 1 0 384.303 4.442 50 0 GIAARO CC[NH+](CC)C[C@H](C)CNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000008323771 221037264 /nfs/dbraw/zinc/03/72/64/221037264.db2.gz NIMSLFVIOOATLB-QGZVFWFLSA-N 1 0 376.504 4.005 50 0 GIAARO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008395342 221039880 /nfs/dbraw/zinc/03/98/80/221039880.db2.gz ARUMYUWLGIWRSA-XLIONFOSSA-N 1 0 384.520 4.298 50 0 GIAARO CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000007985270 221019150 /nfs/dbraw/zinc/01/91/50/221019150.db2.gz XFHGCSUHHUCABC-QGZVFWFLSA-N 1 0 385.533 4.003 50 0 GIAARO COc1ccccc1[C@H](CNc1nc(C(F)(F)F)nc2ccccc21)[NH+](C)C ZINC000007989384 221021464 /nfs/dbraw/zinc/02/14/64/221021464.db2.gz MAEZHFBYVHNPBQ-INIZCTEOSA-N 1 0 390.409 4.372 50 0 GIAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OC ZINC000008469797 221041959 /nfs/dbraw/zinc/04/19/59/221041959.db2.gz AGTNILSDDNFECZ-UHFFFAOYSA-N 1 0 380.326 4.381 50 0 GIAARO COc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(OC)cc1Cl ZINC000009062850 221068498 /nfs/dbraw/zinc/06/84/98/221068498.db2.gz IWNIPRVTZSELJZ-UHFFFAOYSA-N 1 0 388.895 4.208 50 0 GIAARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(C)cc3)C[C@@H]21 ZINC000010214316 221098168 /nfs/dbraw/zinc/09/81/68/221098168.db2.gz SGGYMWUEUUCHAV-NRFANRHFSA-N 1 0 391.515 4.359 50 0 GIAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccc(Cl)cc1 ZINC000010313995 221100526 /nfs/dbraw/zinc/10/05/26/221100526.db2.gz DHSLCDXSPJGHOU-UHFFFAOYSA-N 1 0 385.895 4.304 50 0 GIAARO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](/C=C/c3ccco3)[N@@H+]3CCC[C@@]123 ZINC000011754086 221124617 /nfs/dbraw/zinc/12/46/17/221124617.db2.gz JECNMWFWLWJSJH-IBKUUBJBSA-N 1 0 382.891 4.212 50 0 GIAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000011753571 221124793 /nfs/dbraw/zinc/12/47/93/221124793.db2.gz YRCIMTLLYIXAQJ-HXUWFJFHSA-N 1 0 378.516 4.468 50 0 GIAARO COc1cc(C[NH2+]Cc2cc3cccc(C)c3nc2N2CCCC2)cc(OC)c1 ZINC000011813671 221125868 /nfs/dbraw/zinc/12/58/68/221125868.db2.gz FHJGAMWVKGTFRY-UHFFFAOYSA-N 1 0 391.515 4.450 50 0 GIAARO O=c1c(C[NH2+]Cc2ccsc2)cc2ccc(Cl)cc2n1Cc1ccccn1 ZINC000011787364 221126481 /nfs/dbraw/zinc/12/64/81/221126481.db2.gz VQJADZABYTVEEP-UHFFFAOYSA-N 1 0 395.915 4.450 50 0 GIAARO CCCn1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814401 221126770 /nfs/dbraw/zinc/12/67/70/221126770.db2.gz HVSJRRAYVHUFMI-JOCHJYFZSA-N 1 0 382.596 4.296 50 0 GIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1C1Cc2ccccc2C1 ZINC000011817191 221127847 /nfs/dbraw/zinc/12/78/47/221127847.db2.gz TXOCFEJHCZNRHD-QHCPKHFHSA-N 1 0 399.494 4.444 50 0 GIAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000011815319 221128232 /nfs/dbraw/zinc/12/82/32/221128232.db2.gz ODKKBNCYCRUARZ-UHFFFAOYSA-N 1 0 391.519 4.253 50 0 GIAARO CN(C(=O)CCCc1cccs1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011843367 221131794 /nfs/dbraw/zinc/13/17/94/221131794.db2.gz IJGKCPLAPQHWEM-HXUWFJFHSA-N 1 0 382.573 4.161 50 0 GIAARO CSc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)cc1 ZINC000011841759 221132176 /nfs/dbraw/zinc/13/21/76/221132176.db2.gz HIAZSAQQKGBBFD-UHFFFAOYSA-N 1 0 386.565 4.427 50 0 GIAARO FC(F)(F)Oc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cc1 ZINC000011662119 221118153 /nfs/dbraw/zinc/11/81/53/221118153.db2.gz IBBGFOUPAMLHQJ-KRWDZBQOSA-N 1 0 388.393 4.333 50 0 GIAARO Cn1c(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)nc2ccccc21 ZINC000011664792 221119937 /nfs/dbraw/zinc/11/99/37/221119937.db2.gz ABISTDXGYQVMBA-UHFFFAOYSA-N 1 0 376.504 4.204 50 0 GIAARO CC(=O)Nc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)cc1 ZINC000011715951 221123467 /nfs/dbraw/zinc/12/34/67/221123467.db2.gz QMNACGQQOUIWRA-UHFFFAOYSA-N 1 0 386.923 4.116 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3csc(-c4cccs4)n3)cc2)CC1 ZINC000011951028 221140621 /nfs/dbraw/zinc/14/06/21/221140621.db2.gz VJFFFGZNXROZRN-UHFFFAOYSA-N 1 0 398.557 4.266 50 0 GIAARO COc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)cc1C ZINC000011958746 221141089 /nfs/dbraw/zinc/14/10/89/221141089.db2.gz MVRVRWGZMVFGCW-UHFFFAOYSA-N 1 0 398.522 4.169 50 0 GIAARO Cc1ccc2cc(C[NH2+]CCC3=CCCCC3)c(N3CCC(O)CC3)nc2c1 ZINC000012000699 221142679 /nfs/dbraw/zinc/14/26/79/221142679.db2.gz RXAZPWUVSWPXHF-UHFFFAOYSA-N 1 0 379.548 4.484 50 0 GIAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)cc1O ZINC000012028732 221142868 /nfs/dbraw/zinc/14/28/68/221142868.db2.gz SBIGRIFBUPGTAJ-IBGZPJMESA-N 1 0 377.488 4.479 50 0 GIAARO CSCCNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000012025856 221142938 /nfs/dbraw/zinc/14/29/38/221142938.db2.gz XTBXUTOXCJGSOW-UHFFFAOYSA-N 1 0 399.000 4.322 50 0 GIAARO COc1cccc(CC2(CO)CC[NH+](Cc3c[nH]nc3C3CCCCC3)CC2)c1 ZINC000012304948 221177315 /nfs/dbraw/zinc/17/73/15/221177315.db2.gz QHDMMQVVYKXZFT-UHFFFAOYSA-N 1 0 397.563 4.283 50 0 GIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000012304057 221177323 /nfs/dbraw/zinc/17/73/23/221177323.db2.gz ZUZSWCLCCOQRTQ-GOSISDBHSA-N 1 0 377.444 4.318 50 0 GIAARO Cc1cc(C)cc(N2CCC([NH+]3CCC(CCC(=O)NC4CC4)CC3)CC2)c1 ZINC000012305014 221177668 /nfs/dbraw/zinc/17/76/68/221177668.db2.gz ZUGWWYXMOPBEBH-UHFFFAOYSA-N 1 0 383.580 4.043 50 0 GIAARO CN(C)c1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)s1 ZINC000012304260 221177721 /nfs/dbraw/zinc/17/77/21/221177721.db2.gz ZSYABBQRFQAEAL-NRFANRHFSA-N 1 0 376.614 4.077 50 0 GIAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000012306527 221179707 /nfs/dbraw/zinc/17/97/07/221179707.db2.gz FZXUCHCPLQVSMI-UHFFFAOYSA-N 1 0 388.471 4.120 50 0 GIAARO Cc1nc2cc(NC(=O)[C@H]3CC34CC[NH+]([C@H]3CCSC3)CC4)ccc2s1 ZINC000012185374 221163598 /nfs/dbraw/zinc/16/35/98/221163598.db2.gz ZLTZSMWJCLHORV-JKSUJKDBSA-N 1 0 387.574 4.151 50 0 GIAARO COC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1 ZINC000012200818 221166537 /nfs/dbraw/zinc/16/65/37/221166537.db2.gz UCUFHAJPUPGIQQ-LJQANCHMSA-N 1 0 391.515 4.406 50 0 GIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012197091 221167149 /nfs/dbraw/zinc/16/71/49/221167149.db2.gz ROQRONMEBGLGPG-LJQANCHMSA-N 1 0 383.488 4.197 50 0 GIAARO c1[nH]nc(C2CC[NH+](Cc3ccc4nsnc4c3)CC2)c1-c1ccccc1 ZINC000012242623 221173080 /nfs/dbraw/zinc/17/30/80/221173080.db2.gz WOVPPWUNSVSPKX-UHFFFAOYSA-N 1 0 375.501 4.461 50 0 GIAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)C[NH2+][C@@H](C)c3ccccc3)ccc21 ZINC000012421900 221191733 /nfs/dbraw/zinc/19/17/33/221191733.db2.gz XSSCDLYTAFULIO-JXFKEZNVSA-N 1 0 394.515 4.263 50 0 GIAARO COc1ccc(-c2noc(C[N@H+](C)CCCC3CCCC3)n2)c(OC)c1OC ZINC000012438604 221194497 /nfs/dbraw/zinc/19/44/97/221194497.db2.gz LMFWDGRVAIQZLU-UHFFFAOYSA-N 1 0 389.496 4.165 50 0 GIAARO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1C ZINC000012442611 221194797 /nfs/dbraw/zinc/19/47/97/221194797.db2.gz ZWOKJJJQVMTYHA-OAQYLSRUSA-N 1 0 382.523 4.469 50 0 GIAARO Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1C ZINC000012442609 221194948 /nfs/dbraw/zinc/19/49/48/221194948.db2.gz ZWOKJJJQVMTYHA-NRFANRHFSA-N 1 0 382.523 4.469 50 0 GIAARO O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000012439580 221195307 /nfs/dbraw/zinc/19/53/07/221195307.db2.gz OXHMGFJRKVKPJK-QHCPKHFHSA-N 1 0 389.499 4.417 50 0 GIAARO CC(=O)Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)cc1 ZINC000012572414 221208103 /nfs/dbraw/zinc/20/81/03/221208103.db2.gz KEMRLEWHEHQIGG-XMMPIXPASA-N 1 0 395.522 4.272 50 0 GIAARO CC(C)n1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)cn1 ZINC000012575122 221209106 /nfs/dbraw/zinc/20/91/06/221209106.db2.gz FDOGGTDHOSXSEU-HSZRJFAPSA-N 1 0 386.584 4.363 50 0 GIAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2cc3ccccc3o2)CC1 ZINC000012580185 221209598 /nfs/dbraw/zinc/20/95/98/221209598.db2.gz VSUUVWSGQICFEU-UHFFFAOYSA-N 1 0 376.500 4.460 50 0 GIAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000012579890 221210373 /nfs/dbraw/zinc/21/03/73/221210373.db2.gz BCPVHBOOWWSKIR-FQEVSTJZSA-N 1 0 375.516 4.195 50 0 GIAARO O=C(CCC1CC[NH+](Cc2ccc3ccccc3c2)CC1)NC[C@H]1CCCO1 ZINC000012580158 221210572 /nfs/dbraw/zinc/21/05/72/221210572.db2.gz YPLCMEVSCVZVOI-HSZRJFAPSA-N 1 0 380.532 4.127 50 0 GIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3F)oc2C)C1 ZINC000012373511 221186242 /nfs/dbraw/zinc/18/62/42/221186242.db2.gz PZKAFZYPGQWOQR-HNNXBMFYSA-N 1 0 391.462 4.009 50 0 GIAARO Cc1nc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000012386890 221188192 /nfs/dbraw/zinc/18/81/92/221188192.db2.gz DASMNBVKFJTMST-KRWDZBQOSA-N 1 0 391.968 4.132 50 0 GIAARO CCc1ocnc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012595901 221212595 /nfs/dbraw/zinc/21/25/95/221212595.db2.gz QJUMUDZYGJUOIR-DEOSSOPVSA-N 1 0 395.547 4.489 50 0 GIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC000012597509 221213585 /nfs/dbraw/zinc/21/35/85/221213585.db2.gz NDVJEKCWSIZBPY-UHFFFAOYSA-N 1 0 395.528 4.079 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc4ccccc4c3)c(C)c2)CC1 ZINC000012606493 221214201 /nfs/dbraw/zinc/21/42/01/221214201.db2.gz FEMFWGPFYQNPGN-UHFFFAOYSA-N 1 0 387.527 4.471 50 0 GIAARO O=C(c1ccccc1OC1CC[NH+](CCCC(F)(F)F)CC1)N1CCCCC1 ZINC000012701422 221218301 /nfs/dbraw/zinc/21/83/01/221218301.db2.gz PJKDNKGTDRJQMY-UHFFFAOYSA-N 1 0 398.469 4.498 50 0 GIAARO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc1CO ZINC000012701512 221218390 /nfs/dbraw/zinc/21/83/90/221218390.db2.gz FBKLNFICPHVEBL-SFHVURJKSA-N 1 0 387.907 4.326 50 0 GIAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC(C)C)c(CO)c2)C1 ZINC000012714379 221221074 /nfs/dbraw/zinc/22/10/74/221221074.db2.gz RMSNXSKKEIUGKB-GOSISDBHSA-N 1 0 387.545 4.431 50 0 GIAARO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)cc(C)c1O ZINC000012713354 221221079 /nfs/dbraw/zinc/22/10/79/221221079.db2.gz DAOJSFBLWRAFRX-UHFFFAOYSA-N 1 0 384.524 4.027 50 0 GIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000012718057 221221083 /nfs/dbraw/zinc/22/10/83/221221083.db2.gz IZQIZGIPGSSZNP-LJQANCHMSA-N 1 0 396.506 4.337 50 0 GIAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012589224 221211575 /nfs/dbraw/zinc/21/15/75/221211575.db2.gz GTGJBHBGLZOKEZ-HNNXBMFYSA-N 1 0 392.906 4.152 50 0 GIAARO CCc1cc2c(C[N@@H+]3CCC[C@H]3c3ccc(OC)cc3)cc(=O)oc2cc1O ZINC000012766635 221227630 /nfs/dbraw/zinc/22/76/30/221227630.db2.gz ZMKRSQDXGRNHMG-FQEVSTJZSA-N 1 0 379.456 4.407 50 0 GIAARO COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)cc1F)[NH+]1CCCC1 ZINC000012768728 221229019 /nfs/dbraw/zinc/22/90/19/221229019.db2.gz AJHXAIPOHIPIFJ-SFHVURJKSA-N 1 0 376.859 4.055 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)n(-c2ccc(F)cc2)n1 ZINC000012774943 221230424 /nfs/dbraw/zinc/23/04/24/221230424.db2.gz IVFAMUXOLTYUCZ-QFIPXVFZSA-N 1 0 398.457 4.384 50 0 GIAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000012792317 221233076 /nfs/dbraw/zinc/23/30/76/221233076.db2.gz RYQAVTLHYBXLOB-CQSZACIVSA-N 1 0 386.858 4.263 50 0 GIAARO CC(C)c1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(C)C)cc1 ZINC000012903246 221244127 /nfs/dbraw/zinc/24/41/27/221244127.db2.gz DQISDSMCHSLFEH-BTYIYWSLSA-N 1 0 394.519 4.294 50 0 GIAARO COc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1OCc1ccccc1 ZINC000012817218 221236272 /nfs/dbraw/zinc/23/62/72/221236272.db2.gz PHKRWETZASIZBJ-UHFFFAOYSA-N 1 0 396.531 4.269 50 0 GIAARO CN(CCC[NH+]1CCCC1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012835262 221236668 /nfs/dbraw/zinc/23/66/68/221236668.db2.gz UNPMYBGRISEPKC-UHFFFAOYSA-N 1 0 391.515 4.171 50 0 GIAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 ZINC000012835739 221236705 /nfs/dbraw/zinc/23/67/05/221236705.db2.gz ONQCBMVXFZCUBC-QGZVFWFLSA-N 1 0 386.515 4.275 50 0 GIAARO COc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012972164 221250363 /nfs/dbraw/zinc/25/03/63/221250363.db2.gz CXLCRMUYPLWWPX-QFIPXVFZSA-N 1 0 378.497 4.343 50 0 GIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000013134190 221261758 /nfs/dbraw/zinc/26/17/58/221261758.db2.gz WXMITVABVFHPFM-PKOBYXMFSA-N 1 0 390.405 4.342 50 0 GIAARO O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1cccc(C(F)(F)F)c1 ZINC000013779050 221287790 /nfs/dbraw/zinc/28/77/90/221287790.db2.gz XPJNECSVXLWJQQ-UHFFFAOYSA-O 1 0 386.397 4.046 50 0 GIAARO CCn1nc(C)cc1C(=O)N(CCC[NH+](C)C)c1nc2c(ccc(C)c2C)s1 ZINC000013699481 221281762 /nfs/dbraw/zinc/28/17/62/221281762.db2.gz KCKUWGIUHSMANU-UHFFFAOYSA-N 1 0 399.564 4.036 50 0 GIAARO O=C1CCCN1CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013727672 221285494 /nfs/dbraw/zinc/28/54/94/221285494.db2.gz HZJLTGSFTKMARE-UHFFFAOYSA-N 1 0 390.886 4.160 50 0 GIAARO COc1cc(C[NH2+]CCCCCO)ccc1OCc1ccc(F)cc1Cl ZINC000013727131 221286146 /nfs/dbraw/zinc/28/61/46/221286146.db2.gz KPULWGWTPLOEIC-UHFFFAOYSA-N 1 0 381.875 4.319 50 0 GIAARO COc1ccc([C@H](CNC(=O)N[C@H]2CCCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000014123629 221299677 /nfs/dbraw/zinc/29/96/77/221299677.db2.gz YLUVDRNXLYNMLD-GOTSBHOMSA-N 1 0 393.531 4.209 50 0 GIAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1ccc2nc(C3CC3)oc2c1 ZINC000014972407 221321767 /nfs/dbraw/zinc/32/17/67/221321767.db2.gz GZBBJRPZWHFNPV-HXUWFJFHSA-N 1 0 389.499 4.315 50 0 GIAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1ccc2nc(C3CC3)oc2c1 ZINC000014972411 221322189 /nfs/dbraw/zinc/32/21/89/221322189.db2.gz GZBBJRPZWHFNPV-FQEVSTJZSA-N 1 0 389.499 4.315 50 0 GIAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2ccco2)c1 ZINC000014976044 221323314 /nfs/dbraw/zinc/32/33/14/221323314.db2.gz NGXWHZRJQUNLBZ-UHFFFAOYSA-N 1 0 398.503 4.004 50 0 GIAARO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014744957 221315773 /nfs/dbraw/zinc/31/57/73/221315773.db2.gz HAMNUGQUSZMZMR-LEWJYISDSA-N 1 0 398.522 4.259 50 0 GIAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000014958828 221320153 /nfs/dbraw/zinc/32/01/53/221320153.db2.gz UJDZDUMUAANTIR-UHFFFAOYSA-N 1 0 382.529 4.340 50 0 GIAARO Fc1cccc(CC[NH2+]Cc2cc3ccc(Cl)cc3nc2N2CCOCC2)c1 ZINC000014979934 221323676 /nfs/dbraw/zinc/32/36/76/221323676.db2.gz JXARGNKHGYKJQX-UHFFFAOYSA-N 1 0 399.897 4.196 50 0 GIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@H]2CCCO2)cc1F ZINC000015064884 221327617 /nfs/dbraw/zinc/32/76/17/221327617.db2.gz JAJDKXVQOZLUMC-LJQANCHMSA-N 1 0 395.478 4.264 50 0 GIAARO CSCCC[NH+]1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 ZINC000015070831 221330078 /nfs/dbraw/zinc/33/00/78/221330078.db2.gz PKCLGXBCVCZGQN-UHFFFAOYSA-N 1 0 385.533 4.278 50 0 GIAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2OC)CC1 ZINC000015679796 221340196 /nfs/dbraw/zinc/34/01/96/221340196.db2.gz VIKPFAZOKDZMRQ-UHFFFAOYSA-N 1 0 385.483 4.353 50 0 GIAARO Cc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)cc1C ZINC000015726996 221341387 /nfs/dbraw/zinc/34/13/87/221341387.db2.gz DTRPIQQGPKDGMW-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO Cc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000015727063 221341448 /nfs/dbraw/zinc/34/14/48/221341448.db2.gz HLYBFRFKEBPXET-UHFFFAOYSA-N 1 0 392.478 4.348 50 0 GIAARO COc1cccc(-c2noc(NCC3CC[NH+](Cc4ccccc4F)CC3)n2)c1 ZINC000015770863 221345072 /nfs/dbraw/zinc/34/50/72/221345072.db2.gz AJDKDQGCJRRDES-UHFFFAOYSA-N 1 0 396.466 4.208 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccs1 ZINC000015859709 221349312 /nfs/dbraw/zinc/34/93/12/221349312.db2.gz VQEILFIYONUJQW-HNNXBMFYSA-N 1 0 375.881 4.089 50 0 GIAARO CC(C)[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000016695681 221368739 /nfs/dbraw/zinc/36/87/39/221368739.db2.gz MMXWKIPQTVDXLF-HSZRJFAPSA-N 1 0 386.536 4.141 50 0 GIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000017310494 221384025 /nfs/dbraw/zinc/38/40/25/221384025.db2.gz OGAAZYLKFGCECI-UHFFFAOYSA-N 1 0 392.522 4.382 50 0 GIAARO O[C@@H](CSc1ccc(Cl)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020385186 221485826 /nfs/dbraw/zinc/48/58/26/221485826.db2.gz OJJXVDUENSWNSZ-GOSISDBHSA-N 1 0 397.371 4.269 50 0 GIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)C2=Cc3sc4c(c3CS2)CCCC4)C1 ZINC000020931398 221519070 /nfs/dbraw/zinc/51/90/70/221519070.db2.gz KTLYLDMTGYBKTC-OAHLLOKOSA-N 1 0 390.618 4.453 50 0 GIAARO Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c(C)c1 ZINC000021172410 221529007 /nfs/dbraw/zinc/52/90/07/221529007.db2.gz QQYLUNAVUWHEMY-IBGZPJMESA-N 1 0 390.531 4.125 50 0 GIAARO c1ccc(-c2nnc(-c3cccnc3N3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000096338964 136186618 /nfs/dbraw/zinc/18/66/18/136186618.db2.gz CVMPZVDNYHSWSC-UHFFFAOYSA-N 1 0 389.503 4.253 50 0 GIAARO Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)[NH+]1CCN(c2ccccn2)CC1 ZINC000004162703 136193628 /nfs/dbraw/zinc/19/36/28/136193628.db2.gz VGBFMJZIVZINMP-DEOSSOPVSA-N 1 0 383.499 4.178 50 0 GIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2)CC1 ZINC000006517644 136195043 /nfs/dbraw/zinc/19/50/43/136195043.db2.gz COJLVGPNZAUUTN-UHFFFAOYSA-N 1 0 389.499 4.243 50 0 GIAARO CCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000004678080 136196723 /nfs/dbraw/zinc/19/67/23/136196723.db2.gz OVZKKLBJHAKAFT-UHFFFAOYSA-N 1 0 381.520 4.260 50 0 GIAARO C[NH+](C)CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000021171658 221529446 /nfs/dbraw/zinc/52/94/46/221529446.db2.gz DOFQNCZPAUKJTP-INIZCTEOSA-N 1 0 396.922 4.162 50 0 GIAARO CC[NH+](CC)CCOC(=O)[C@H](Cc1ccc2ccccc2c1)C[C@@H]1CCCO1 ZINC000033985950 221799001 /nfs/dbraw/zinc/79/90/01/221799001.db2.gz IEBDTIUHMNLDTC-PKTZIBPZSA-N 1 0 383.532 4.453 50 0 in-vitro GIAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000040060386 221900345 /nfs/dbraw/zinc/90/03/45/221900345.db2.gz MEPGVTYHISLYPM-QFIPXVFZSA-N 1 0 398.934 4.192 50 0 GIAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805641 222026409 /nfs/dbraw/zinc/02/64/09/222026409.db2.gz HZDIRMRLWZSYKE-MAUKXSAKSA-N 1 0 379.932 4.117 50 0 GIAARO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000056764236 222026789 /nfs/dbraw/zinc/02/67/89/222026789.db2.gz UPELBDLEVBCJLB-NRFANRHFSA-N 1 0 379.504 4.360 50 0 GIAARO COc1ccc([C@H]([NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)C(C)C)cc1 ZINC000049586929 222001381 /nfs/dbraw/zinc/00/13/81/222001381.db2.gz RPXJCUZBEYFRIX-LJQANCHMSA-N 1 0 398.425 4.166 50 0 GIAARO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1cc(=O)n2ccccc2n1)C1CC1 ZINC000054396498 222013406 /nfs/dbraw/zinc/01/34/06/222013406.db2.gz IISXIZLCJPBQSK-CQSZACIVSA-N 1 0 387.405 4.439 50 0 GIAARO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000055118985 222015751 /nfs/dbraw/zinc/01/57/51/222015751.db2.gz HXLFFJMYGZXYGH-QGZVFWFLSA-N 1 0 375.472 4.042 50 0 GIAARO CCOc1ccccc1OCC[N@H+](C)Cc1cccc(Oc2ncccn2)c1 ZINC000055271226 222019089 /nfs/dbraw/zinc/01/90/89/222019089.db2.gz WJHOPMQPQBIAOK-UHFFFAOYSA-N 1 0 379.460 4.178 50 0 GIAARO CCOc1ccc(C[N@H+](C[C@]2(c3cccc(OC)c3)CCOC2)C2CC2)cc1 ZINC000055404918 222022113 /nfs/dbraw/zinc/02/21/13/222022113.db2.gz BXJLJMCXTAQLLD-XMMPIXPASA-N 1 0 381.516 4.417 50 0 GIAARO CCOc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1OCC ZINC000059887174 222058441 /nfs/dbraw/zinc/05/84/41/222058441.db2.gz MJRVTWIBAWPRSV-UHFFFAOYSA-N 1 0 388.552 4.212 50 0 GIAARO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000064590809 222074912 /nfs/dbraw/zinc/07/49/12/222074912.db2.gz JNGXIRHAKRXPLA-UHFFFAOYSA-N 1 0 399.494 4.214 50 0 GIAARO CCn1c(C)c(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c2ccccc21 ZINC000064669870 222077584 /nfs/dbraw/zinc/07/75/84/222077584.db2.gz FWXWOFUURWBPIN-UHFFFAOYSA-N 1 0 389.543 4.498 50 0 GIAARO Cc1ccc(-c2noc(-c3ccc(NCC[NH+]4CCC(C)CC4)nc3)n2)cc1 ZINC000064676812 222079552 /nfs/dbraw/zinc/07/95/52/222079552.db2.gz HJMAGJDVLNWVBO-UHFFFAOYSA-N 1 0 377.492 4.251 50 0 GIAARO O=C(Nc1ccc(Cl)cc1F)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000064761143 222082343 /nfs/dbraw/zinc/08/23/43/222082343.db2.gz JFQHESZXSKJCDZ-UHFFFAOYSA-N 1 0 386.858 4.177 50 0 GIAARO O=C(/C=C/c1ccccc1OC(F)(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000065536669 222132714 /nfs/dbraw/zinc/13/27/14/222132714.db2.gz CWPOJYCRSQXUQL-MDZDMXLPSA-N 1 0 396.453 4.369 50 0 GIAARO Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000065553712 222133334 /nfs/dbraw/zinc/13/33/34/222133334.db2.gz OBZRVCMGVGGFKO-WOJBJXKFSA-N 1 0 383.561 4.417 50 0 GIAARO CC(C)c1ncc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC000065554369 222133826 /nfs/dbraw/zinc/13/38/26/222133826.db2.gz LIWBIEFVRUKLGY-UHFFFAOYSA-N 1 0 386.927 4.169 50 0 GIAARO CC(C)Cn1cncc1CN1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071750665 222190283 /nfs/dbraw/zinc/19/02/83/222190283.db2.gz AJRXRYYAZWTFHU-QHCPKHFHSA-N 1 0 386.559 4.411 50 0 GIAARO C[N@@H+]1CCC[C@H]1CCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655018 222154547 /nfs/dbraw/zinc/15/45/47/222154547.db2.gz INPMINPLJZJZQQ-FQEVSTJZSA-N 1 0 386.923 4.391 50 0 GIAARO Cc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccc(C)c2)C3)s1 ZINC000067805993 222161169 /nfs/dbraw/zinc/16/11/69/222161169.db2.gz UWUDXUYTSUMFSX-QFIPXVFZSA-N 1 0 383.561 4.197 50 0 GIAARO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000069676541 222174488 /nfs/dbraw/zinc/17/44/88/222174488.db2.gz MAQOTROJARLKKO-LSDHHAIUSA-N 1 0 381.398 4.059 50 0 GIAARO Cc1nccc(-c2cccc(NC(=O)NC[C@H](C3CCCCC3)[NH+](C)C)c2)n1 ZINC000069585952 222174936 /nfs/dbraw/zinc/17/49/36/222174936.db2.gz YUGDIDFDHVNBEH-OAQYLSRUSA-N 1 0 381.524 4.084 50 0 GIAARO CC1CC[NH+](CCCNC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000071901337 222199000 /nfs/dbraw/zinc/19/90/00/222199000.db2.gz VIKGFEXTKYJKAO-UHFFFAOYSA-N 1 0 388.737 4.346 50 0 GIAARO Cc1noc(C)c1C[NH+]1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890584 222199335 /nfs/dbraw/zinc/19/93/35/222199335.db2.gz QOSLJOPJEUQTFH-GOSISDBHSA-N 1 0 382.439 4.250 50 0 GIAARO COc1ccc(C(SC[C@H]([NH3+])CO)(c2ccccc2)c2ccccc2)cc1 ZINC000072114793 222206971 /nfs/dbraw/zinc/20/69/71/222206971.db2.gz WKYHDWRETJHQFE-OAQYLSRUSA-N 1 0 379.525 4.040 50 0 in-vitro GIAARO CCCCc1nc(CN2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c[nH]1 ZINC000072154747 222212181 /nfs/dbraw/zinc/21/21/81/222212181.db2.gz WJZUVOCRYJWOHC-GMKZXUHWSA-N 1 0 378.564 4.123 50 0 GIAARO Cc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072157576 222213026 /nfs/dbraw/zinc/21/30/26/222213026.db2.gz MPGNYPLUSRRPBQ-TUACAJSNSA-N 1 0 385.511 4.179 50 0 GIAARO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000072281870 222219237 /nfs/dbraw/zinc/21/92/37/222219237.db2.gz OWAJWRQPIHJRCL-QGZVFWFLSA-N 1 0 393.531 4.233 50 0 GIAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)c1 ZINC000072477612 222266664 /nfs/dbraw/zinc/26/66/64/222266664.db2.gz AYBPABWSUXCEAT-YADHBBJMSA-N 1 0 385.511 4.372 50 0 GIAARO COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(OC)c1 ZINC000072312737 222225155 /nfs/dbraw/zinc/22/51/55/222225155.db2.gz PALRWKDXEPKPEB-UTKZUKDTSA-N 1 0 386.536 4.022 50 0 GIAARO COc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](O)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072423323 222256816 /nfs/dbraw/zinc/25/68/16/222256816.db2.gz SKZLTZWMMLFBAL-GOSISDBHSA-N 1 0 397.906 4.158 50 0 GIAARO COc1ccc(-n2cc(C[NH+]3CCC(O)CC3)c(-c3ccccc3Cl)n2)cc1 ZINC000072474581 222265249 /nfs/dbraw/zinc/26/52/49/222265249.db2.gz FCRWCTRFOXUFCY-UHFFFAOYSA-N 1 0 397.906 4.158 50 0 GIAARO CN(CC[C@H](O)c1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000095505784 222337690 /nfs/dbraw/zinc/33/76/90/222337690.db2.gz JFGSSXCMYHOTRX-QFIPXVFZSA-N 1 0 381.520 4.260 50 0 GIAARO Clc1ccc(CN2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)cc1 ZINC000077159639 222274487 /nfs/dbraw/zinc/27/44/87/222274487.db2.gz CMSMSBPVMNFPQZ-UHFFFAOYSA-N 1 0 380.923 4.021 50 0 GIAARO COc1ccc(OCCn2c3ccccc3nc2C[NH+]2CCCCCC2)cc1 ZINC000082086955 222308854 /nfs/dbraw/zinc/30/88/54/222308854.db2.gz MONJJGWKWIHLIG-UHFFFAOYSA-N 1 0 379.504 4.500 50 0 GIAARO Cc1ccc(F)cc1NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000095959309 222365196 /nfs/dbraw/zinc/36/51/96/222365196.db2.gz APBYUMIWNSZNLZ-QGZVFWFLSA-N 1 0 385.483 4.156 50 0 GIAARO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(=O)Nc2cccc(Br)c2)cc1 ZINC000095995898 222369020 /nfs/dbraw/zinc/36/90/20/222369020.db2.gz SFMWANULNSKCGM-KBPBESRZSA-N 1 0 391.309 4.178 50 0 GIAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000096012408 222370777 /nfs/dbraw/zinc/37/07/77/222370777.db2.gz XPAAYKNJEAYROX-DZGCQCFKSA-N 1 0 376.909 4.393 50 0 GIAARO CCc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](CC)C3)o1 ZINC000096141680 222388426 /nfs/dbraw/zinc/38/84/26/222388426.db2.gz VTVOMDHUEQQMRK-FQEVSTJZSA-N 1 0 395.547 4.277 50 0 GIAARO Cc1cc2cccc(NC(=O)NC[C@H](c3cccnc3)[NH+]3CCCCC3)c2o1 ZINC000096162293 222394156 /nfs/dbraw/zinc/39/41/56/222394156.db2.gz NMMKGCXMCANCLV-HXUWFJFHSA-N 1 0 378.476 4.485 50 0 GIAARO COc1ccccc1-c1ccc(NC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000096165076 222395479 /nfs/dbraw/zinc/39/54/79/222395479.db2.gz WCAILFKOZCKYNN-KRWDZBQOSA-N 1 0 379.504 4.453 50 0 GIAARO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](c1cc(F)ccc1F)C1CC1 ZINC000097162377 222439739 /nfs/dbraw/zinc/43/97/39/222439739.db2.gz GUCHTVJBFCKGEI-QKKBWIMNSA-N 1 0 388.458 4.352 50 0 GIAARO CC(=O)c1cccc(-c2ccc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)cc2)c1 ZINC000426640368 527348436 /nfs/dbraw/zinc/34/84/36/527348436.db2.gz GYXXUAHQKIGVDI-QGZVFWFLSA-N 1 0 376.500 4.255 50 0 GIAARO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019813089 570221554 /nfs/dbraw/zinc/22/15/54/570221554.db2.gz BVMMVYPUSCBFHP-UHFFFAOYSA-N 1 0 386.495 4.184 50 0 GIAARO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048255068 570223924 /nfs/dbraw/zinc/22/39/24/570223924.db2.gz BJNNEJNMKJNPJS-IRXDYDNUSA-N 1 0 388.556 4.079 50 0 GIAARO FC(F)(F)c1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1CCCCC2 ZINC000019894418 570227862 /nfs/dbraw/zinc/22/78/62/570227862.db2.gz PUPIFKLKOMVPNQ-UHFFFAOYSA-N 1 0 390.453 4.087 50 0 GIAARO O[C@@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c[nH]c2ccccc21 ZINC000019947503 570233343 /nfs/dbraw/zinc/23/33/43/570233343.db2.gz TXFLYGDCORIQFX-FQEVSTJZSA-N 1 0 389.421 4.042 50 0 GIAARO CC1CC[NH+](Cc2ccc(CNC(=O)CCOc3ccccc3F)cc2)CC1 ZINC000048302387 570234890 /nfs/dbraw/zinc/23/48/90/570234890.db2.gz WCXJMIGTEANOMJ-UHFFFAOYSA-N 1 0 384.495 4.143 50 0 GIAARO COc1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020326619 570252168 /nfs/dbraw/zinc/25/21/68/570252168.db2.gz OCOZYDOFUGZJJY-UHFFFAOYSA-N 1 0 386.495 4.184 50 0 GIAARO COc1ccc(-n2cc(C[NH+]3CCSCC3)c(-c3cccc(F)c3)n2)cc1 ZINC000020450385 570256724 /nfs/dbraw/zinc/25/67/24/570256724.db2.gz VPRWROSRKXXIBS-UHFFFAOYSA-N 1 0 383.492 4.236 50 0 GIAARO Cc1c(C[NH2+]CCN2CCOCC2)c2ccccc2n1Cc1ccccc1Cl ZINC000020477779 570261406 /nfs/dbraw/zinc/26/14/06/570261406.db2.gz METSXVLCXABVTE-UHFFFAOYSA-N 1 0 397.950 4.073 50 0 GIAARO CCCCCNC(=O)c1c(C)n(C2CC[NH+](C(C)C)CC2)nc1C(F)(F)F ZINC000049362804 570263077 /nfs/dbraw/zinc/26/30/77/570263077.db2.gz GDUUYSICEIDVNI-UHFFFAOYSA-N 1 0 388.478 4.176 50 0 GIAARO O=Cc1cc(Cl)ccc1OCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020500202 570264271 /nfs/dbraw/zinc/26/42/71/570264271.db2.gz UMSMXQVABVSHQL-UHFFFAOYSA-N 1 0 386.923 4.129 50 0 GIAARO Cc1cc(-n2cc(-c3cc(C(=O)N4CCCC4)c4ccccc4n3)cn2)cc[nH+]1 ZINC000020534662 570265833 /nfs/dbraw/zinc/26/58/33/570265833.db2.gz AWGSVGLCQUJPNV-UHFFFAOYSA-N 1 0 383.455 4.027 50 0 GIAARO Cc1cccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1 ZINC000049420998 570267179 /nfs/dbraw/zinc/26/71/79/570267179.db2.gz SIWPSRJTHABWIW-QFIPXVFZSA-N 1 0 386.499 4.011 50 0 GIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020736322 570278144 /nfs/dbraw/zinc/27/81/44/570278144.db2.gz NJISNQDEXYSXJL-HXUWFJFHSA-N 1 0 394.540 4.072 50 0 GIAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCN2CCOCC2)cc1 ZINC000020874222 570283139 /nfs/dbraw/zinc/28/31/39/570283139.db2.gz IYFKZXBADVKIRJ-UHFFFAOYSA-N 1 0 390.527 4.149 50 0 GIAARO Cc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C)cc1 ZINC000020893151 570283626 /nfs/dbraw/zinc/28/36/26/570283626.db2.gz HSERATICZOKEDC-UHFFFAOYSA-N 1 0 376.504 4.366 50 0 GIAARO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000034682525 570300035 /nfs/dbraw/zinc/30/00/35/570300035.db2.gz PGPMQOISDRIFJF-UHFFFAOYSA-N 1 0 382.504 4.111 50 0 GIAARO Cc1cccc([C@@H]2C[C@H](C(=O)N3CCSCC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733612 570325864 /nfs/dbraw/zinc/32/58/64/570325864.db2.gz BPEQZQSWFLUXPW-PKTZIBPZSA-N 1 0 394.584 4.176 50 0 GIAARO COc1cc(C[NH2+]CCOc2ccccn2)ccc1OCc1cccc(C)c1 ZINC000113396341 570331407 /nfs/dbraw/zinc/33/14/07/570331407.db2.gz PTGZRYOPZTTZSQ-UHFFFAOYSA-N 1 0 378.472 4.146 50 0 GIAARO CC(C)[C@@H](CNc1nc(-c2ccsc2)nc2ccccc21)[NH+]1CCN(C)CC1 ZINC000022916593 570335054 /nfs/dbraw/zinc/33/50/54/570335054.db2.gz OWZXRRKSEMPDCX-HXUWFJFHSA-N 1 0 395.576 4.042 50 0 GIAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1)O[C@@H](C)C2 ZINC000022932599 570337799 /nfs/dbraw/zinc/33/77/99/570337799.db2.gz DOBNGPXUILNKJW-FXAWDEMLSA-N 1 0 384.520 4.319 50 0 GIAARO Cc1c[nH+]ccc1-n1cc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cn1 ZINC000023191419 570349179 /nfs/dbraw/zinc/34/91/79/570349179.db2.gz AWPFEIZLGGHQFM-UHFFFAOYSA-N 1 0 383.455 4.027 50 0 GIAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000023257828 570353069 /nfs/dbraw/zinc/35/30/69/570353069.db2.gz JSKJSVDGSRABIH-QGZVFWFLSA-N 1 0 380.989 4.489 50 0 GIAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccc3c(c2)OCO3)CCOC(C)(C)C1 ZINC000004029733 570354730 /nfs/dbraw/zinc/35/47/30/570354730.db2.gz AGIYXPDLWJRDFS-XMMPIXPASA-N 1 0 397.515 4.431 50 0 GIAARO CC[NH+](CC)[C@H]1CCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000023359224 570356029 /nfs/dbraw/zinc/35/60/29/570356029.db2.gz BWUSDHMXOSUEPZ-FQEVSTJZSA-N 1 0 382.552 4.154 50 0 GIAARO Cc1nc2ccccc2c2oc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc21 ZINC000004902185 570360394 /nfs/dbraw/zinc/36/03/94/570360394.db2.gz QNYWPZZDXOOIGP-HOTGVXAUSA-N 1 0 379.504 4.387 50 0 GIAARO C[C@H]1CCc2sc3ncnc(N4CC[NH+](CCc5ccccc5)CC4)c3c2C1 ZINC000004264083 570364598 /nfs/dbraw/zinc/36/45/98/570364598.db2.gz BCINONSXKBIBAT-KRWDZBQOSA-N 1 0 392.572 4.181 50 0 GIAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2cccnc2)cs1 ZINC000004916270 570364982 /nfs/dbraw/zinc/36/49/82/570364982.db2.gz DHPKYRLRVIBWPE-MLGOLLRUSA-N 1 0 382.411 4.212 50 0 GIAARO CC(C)[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(F)c1 ZINC000004924032 570370420 /nfs/dbraw/zinc/37/04/20/570370420.db2.gz YOQAXYYYVLHODR-OAQYLSRUSA-N 1 0 390.499 4.449 50 0 GIAARO Cc1cc(C(=O)CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(C)s1 ZINC000023741478 570371339 /nfs/dbraw/zinc/37/13/39/570371339.db2.gz XDTQHZNKULQKAE-HXUWFJFHSA-N 1 0 384.545 4.281 50 0 GIAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000237488613 570371985 /nfs/dbraw/zinc/37/19/85/570371985.db2.gz IUGXBDUSQGCUDN-NWDGAFQWSA-N 1 0 398.359 4.245 50 0 GIAARO O=C(C(c1ccccc1)c1ccccc1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090609013 570384577 /nfs/dbraw/zinc/38/45/77/570384577.db2.gz PEAJOSZVAOYTDE-JOCHJYFZSA-N 1 0 394.584 4.248 50 0 GIAARO Clc1ccc(-n2nnnc2C2([NH2+]CCc3ccccc3)CCCCC2)cc1 ZINC000035622235 570403872 /nfs/dbraw/zinc/40/38/72/570403872.db2.gz CQBGNNQXSYDEIN-UHFFFAOYSA-N 1 0 381.911 4.307 50 0 GIAARO O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000033028462 570409029 /nfs/dbraw/zinc/40/90/29/570409029.db2.gz KXFGXQBORGDDKC-RQMBKDMJSA-N 1 0 398.890 4.035 50 0 GIAARO COc1cccc(/C=C/C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000040090754 570409861 /nfs/dbraw/zinc/40/98/61/570409861.db2.gz FXFDNAYHSCFSBW-RQWLHQTBSA-N 1 0 384.907 4.315 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccs1 ZINC000043362764 570410361 /nfs/dbraw/zinc/41/03/61/570410361.db2.gz MMBDRGWADNWPSI-GFCCVEGCSA-N 1 0 389.855 4.427 50 0 GIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccsc1 ZINC000025330725 570411412 /nfs/dbraw/zinc/41/14/12/570411412.db2.gz VJLPNISJVQPCEZ-OAQYLSRUSA-N 1 0 390.512 4.120 50 0 GIAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccco3)C[C@@H]21 ZINC000005092949 570415580 /nfs/dbraw/zinc/41/55/80/570415580.db2.gz HVXZSAMESAFWIJ-SFHVURJKSA-N 1 0 381.476 4.032 50 0 GIAARO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1cccnc1 ZINC000004942936 570418935 /nfs/dbraw/zinc/41/89/35/570418935.db2.gz TVDQEYAQMZQFME-UHFFFAOYSA-N 1 0 379.298 4.320 50 0 GIAARO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc(Cl)c1OC(C)C ZINC000025784298 570419432 /nfs/dbraw/zinc/41/94/32/570419432.db2.gz PMYJRLDFFZDOBQ-HNNXBMFYSA-N 1 0 396.940 4.230 50 0 GIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000004988503 570421720 /nfs/dbraw/zinc/42/17/20/570421720.db2.gz MNZMNUMSBCJTEI-HXUWFJFHSA-N 1 0 383.488 4.049 50 0 GIAARO CCOC(=O)C1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000004988822 570422086 /nfs/dbraw/zinc/42/20/86/570422086.db2.gz ZFHBICVGEKIVQB-UHFFFAOYSA-N 1 0 383.488 4.049 50 0 GIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000005019708 570424374 /nfs/dbraw/zinc/42/43/74/570424374.db2.gz CSBFXKNAYGKCJI-QGZVFWFLSA-N 1 0 379.859 4.335 50 0 GIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000001792264 570425107 /nfs/dbraw/zinc/42/51/07/570425107.db2.gz TWMYIENHIDNREO-XNTDXEJSSA-N 1 0 380.488 4.146 50 0 GIAARO C[NH+]1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000005047658 570425988 /nfs/dbraw/zinc/42/59/88/570425988.db2.gz ULYURLYHRMPCDJ-UHFFFAOYSA-N 1 0 385.511 4.209 50 0 GIAARO O=c1oc2ccccc2n1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000027107376 570431426 /nfs/dbraw/zinc/43/14/26/570431426.db2.gz KORFPPIOTNHOCM-UHFFFAOYSA-N 1 0 376.378 4.278 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000027581613 570436473 /nfs/dbraw/zinc/43/64/73/570436473.db2.gz RFRZSVGXMGCGIL-OAQYLSRUSA-N 1 0 386.923 4.371 50 0 GIAARO O=C(COc1cccc(Cl)c1)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027741192 570440696 /nfs/dbraw/zinc/44/06/96/570440696.db2.gz PHDICRLWPZAMNI-KRWDZBQOSA-N 1 0 378.925 4.124 50 0 GIAARO Cc1cc(OCC(=O)N2CCC(CC[NH+]3CCCCC3)CC2)ccc1Cl ZINC000027994787 570449010 /nfs/dbraw/zinc/44/90/10/570449010.db2.gz MBPNNEHFQNCGBT-UHFFFAOYSA-N 1 0 378.944 4.142 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000028289305 570455434 /nfs/dbraw/zinc/45/54/34/570455434.db2.gz LCERSQHSYDQFNB-IBGZPJMESA-N 1 0 388.939 4.435 50 0 GIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(-c2ccsc2)n1 ZINC000029632959 570477268 /nfs/dbraw/zinc/47/72/68/570477268.db2.gz ASSXDJGYWVYXAR-UHFFFAOYSA-N 1 0 383.542 4.266 50 0 GIAARO C[NH+](C)[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(F)c1 ZINC000029836849 570481322 /nfs/dbraw/zinc/48/13/22/570481322.db2.gz CXXIGESEJBDUMX-FQEVSTJZSA-N 1 0 390.458 4.482 50 0 GIAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(-n2cncn2)cc1 ZINC000030545432 570491055 /nfs/dbraw/zinc/49/10/55/570491055.db2.gz XNXAARQMJJSBGH-GOSISDBHSA-N 1 0 385.471 4.092 50 0 GIAARO C[NH+](C)C[C@H]1CSCC[C@@]1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033906012 570498298 /nfs/dbraw/zinc/49/82/98/570498298.db2.gz XJTDCNSMOUNWGU-UONOGXRCSA-N 1 0 387.389 4.227 50 0 GIAARO CC(=O)Nc1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000030910911 570500987 /nfs/dbraw/zinc/50/09/87/570500987.db2.gz GSZHOACVFZGKJL-HXUWFJFHSA-N 1 0 389.902 4.364 50 0 GIAARO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCCCC2)n3C)c1 ZINC000005205779 570507688 /nfs/dbraw/zinc/50/76/88/570507688.db2.gz SJUWDQKQVDBVBO-UHFFFAOYSA-N 1 0 376.504 4.162 50 0 GIAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CCCO2)c(C)c1 ZINC000036031195 570517761 /nfs/dbraw/zinc/51/77/61/570517761.db2.gz ZBCWLNGVSAPTBY-XZOQPEGZSA-N 1 0 383.532 4.033 50 0 GIAARO C[NH2+]CCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008376956 570530119 /nfs/dbraw/zinc/53/01/19/570530119.db2.gz ACSYGDDXJUVYFO-UHFFFAOYSA-N 1 0 383.319 4.280 50 0 GIAARO C[NH2+]CCCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008377011 570530188 /nfs/dbraw/zinc/53/01/88/570530188.db2.gz RKVOZXNIELAGKD-UHFFFAOYSA-N 1 0 397.744 4.381 50 0 GIAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+](C)C)c1ccccc1C=C2 ZINC000016134079 570536337 /nfs/dbraw/zinc/53/63/37/570536337.db2.gz PWCGBFPSWOPRGW-UHFFFAOYSA-N 1 0 379.460 4.355 50 0 GIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2)cc1 ZINC000036102153 570539173 /nfs/dbraw/zinc/53/91/73/570539173.db2.gz IXLUWGVOSKWYMK-JOCHJYFZSA-N 1 0 377.484 4.137 50 0 GIAARO COc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCCCC2)OCO4)cc1 ZINC000036102789 570539730 /nfs/dbraw/zinc/53/97/30/570539730.db2.gz XFVFHWULZBGXNU-UHFFFAOYSA-N 1 0 390.439 4.193 50 0 GIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022778429 570547464 /nfs/dbraw/zinc/54/74/64/570547464.db2.gz AGFNSSWXMFKWPJ-HSZRJFAPSA-N 1 0 393.575 4.011 50 0 GIAARO O=C(Cn1cc(C[NH2+]Cc2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1 ZINC000034925439 570548254 /nfs/dbraw/zinc/54/82/54/570548254.db2.gz ZNAMNCXGRLZJJE-UHFFFAOYSA-N 1 0 396.494 4.479 50 0 GIAARO CC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146322 570548909 /nfs/dbraw/zinc/54/89/09/570548909.db2.gz UUXLYPPOFPHERF-PMACEKPBSA-N 1 0 390.886 4.245 50 0 GIAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2nnc(C3CC3)s2)C1 ZINC000040119127 570553503 /nfs/dbraw/zinc/55/35/03/570553503.db2.gz CAZKFHAMSCAPJM-GJZGRUSLSA-N 1 0 399.564 4.215 50 0 GIAARO C[NH+](C)CC(C)(C)CNc1nn2c(cc1C1CCC1)nnc2-c1ccccc1 ZINC000038446036 570579232 /nfs/dbraw/zinc/57/92/32/570579232.db2.gz FKCXKEHHZXEWGP-UHFFFAOYSA-N 1 0 378.524 4.059 50 0 GIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 ZINC000039364267 570589923 /nfs/dbraw/zinc/58/99/23/570589923.db2.gz NKXXXDAQXNEFMC-XMMPIXPASA-N 1 0 381.516 4.071 50 0 GIAARO CC(C)C[NH+]1CCC(CN(C)Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000039455444 570592139 /nfs/dbraw/zinc/59/21/39/570592139.db2.gz MOFSWSKCJWIODM-UHFFFAOYSA-N 1 0 376.932 4.190 50 0 GIAARO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc(OC)c1 ZINC000012056997 570602622 /nfs/dbraw/zinc/60/26/22/570602622.db2.gz KEDWTXLEXHLAAY-ZDUSSCGKSA-N 1 0 387.430 4.327 50 0 GIAARO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000012057433 570603071 /nfs/dbraw/zinc/60/30/71/570603071.db2.gz OCUCFKRRXPCRKO-INIZCTEOSA-N 1 0 375.415 4.392 50 0 GIAARO COc1cc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@H+]24)ccc1F ZINC000012058213 570603523 /nfs/dbraw/zinc/60/35/23/570603523.db2.gz QMRSGQNAAQOORD-PTLVVNQVSA-N 1 0 394.490 4.081 50 0 GIAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)cc1 ZINC000040733085 570608691 /nfs/dbraw/zinc/60/86/91/570608691.db2.gz ORQKLWLZRILDIF-UHFFFAOYSA-N 1 0 378.447 4.441 50 0 GIAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1C ZINC000040739353 570611084 /nfs/dbraw/zinc/61/10/84/570611084.db2.gz MINIQNSGZFYHOJ-SFHVURJKSA-N 1 0 378.310 4.197 50 0 GIAARO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCc1ccccc1C ZINC000040741900 570611497 /nfs/dbraw/zinc/61/14/97/570611497.db2.gz OQEYVNQNYMFXBX-SFHVURJKSA-N 1 0 377.912 4.487 50 0 GIAARO CCOc1cccc(C[NH2+]CCCO)c1OCc1ccc(Cl)cc1Cl ZINC000040744866 570613933 /nfs/dbraw/zinc/61/39/33/570613933.db2.gz HKMJEXZHZREMCE-UHFFFAOYSA-N 1 0 384.303 4.443 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1cc(C)ccc1C ZINC000036344580 570626584 /nfs/dbraw/zinc/62/65/84/570626584.db2.gz WAUBGGQLOZOEHK-QHCPKHFHSA-N 1 0 393.531 4.332 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1C ZINC000036345757 570628187 /nfs/dbraw/zinc/62/81/87/570628187.db2.gz GPQSHJLPBZEUOJ-QHCPKHFHSA-N 1 0 393.531 4.332 50 0 GIAARO CC[NH+](CC)CC(=O)N1N=C(c2cc(C)ccc2C)C[C@H]1c1ccccc1F ZINC000036345507 570628215 /nfs/dbraw/zinc/62/82/15/570628215.db2.gz WDEPTIMWLIQLSW-QFIPXVFZSA-N 1 0 381.495 4.462 50 0 GIAARO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303052 570653632 /nfs/dbraw/zinc/65/36/32/570653632.db2.gz HYUXXJIGFRNOIY-UHFFFAOYSA-N 1 0 376.422 4.234 50 0 GIAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000229583243 570665447 /nfs/dbraw/zinc/66/54/47/570665447.db2.gz WRTUEGUHJIBRCH-TZIWHRDSSA-N 1 0 399.629 4.275 50 0 GIAARO CCOc1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000006877397 570668520 /nfs/dbraw/zinc/66/85/20/570668520.db2.gz PQAJVRNODHZPTH-LJQANCHMSA-N 1 0 393.531 4.388 50 0 GIAARO O=C(CCC1CC[NH+](C/C(Cl)=C/c2ccccc2)CC1)NC[C@@H]1CCCO1 ZINC000055054637 570680723 /nfs/dbraw/zinc/68/07/23/570680723.db2.gz ISWLLVRUYIIHMH-LDVBQKTRSA-N 1 0 390.955 4.054 50 0 GIAARO O=C(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000006936216 570714693 /nfs/dbraw/zinc/71/46/93/570714693.db2.gz WLYLYKAISWXRNZ-NRFANRHFSA-N 1 0 395.886 4.101 50 0 GIAARO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000247720475 570715709 /nfs/dbraw/zinc/71/57/09/570715709.db2.gz ABMIQOSLPJOBGB-SFHVURJKSA-N 1 0 376.504 4.041 50 0 GIAARO COCC[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000247905339 570717001 /nfs/dbraw/zinc/71/70/01/570717001.db2.gz WYYFHQJOIVEDLT-UHFFFAOYSA-N 1 0 391.302 4.036 50 0 GIAARO Cc1cccc(Cn2nc(C[NH2+]CCCOC(C)C)c(-c3ccccc3)n2)c1 ZINC000247923071 570717289 /nfs/dbraw/zinc/71/72/89/570717289.db2.gz ONNWTRFZNDQQHS-UHFFFAOYSA-N 1 0 378.520 4.207 50 0 GIAARO CCCN(C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1)C(C)C ZINC000247963273 570717860 /nfs/dbraw/zinc/71/78/60/570717860.db2.gz ALYLIGSAMHRUAB-IBGZPJMESA-N 1 0 384.568 4.476 50 0 GIAARO CCCCN(CCCC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000248097100 570721036 /nfs/dbraw/zinc/72/10/36/570721036.db2.gz YIEUHINYTOONIV-LJQANCHMSA-N 1 0 384.568 4.214 50 0 GIAARO Cc1ccc(NC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)c(C)c1 ZINC000065256372 570755306 /nfs/dbraw/zinc/75/53/06/570755306.db2.gz QKISLQHEFJNFQI-QFIPXVFZSA-N 1 0 386.499 4.102 50 0 GIAARO CCOC(=O)c1c2cc(O)ccc2n(-c2ccccc2)c1C[NH+]1CCCCC1 ZINC000004455937 570784908 /nfs/dbraw/zinc/78/49/08/570784908.db2.gz OONPLGXLLDKFEK-UHFFFAOYSA-N 1 0 378.472 4.499 50 0 GIAARO CCc1cc2oc(=O)cc(C[N@H+](C)Cc3ccc4c(c3)OCO4)c2cc1Cl ZINC000032738521 570790317 /nfs/dbraw/zinc/79/03/17/570790317.db2.gz FOEXQGWBHPKMGI-UHFFFAOYSA-N 1 0 385.847 4.370 50 0 GIAARO CC(C)[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000004461248 570793346 /nfs/dbraw/zinc/79/33/46/570793346.db2.gz XRYASJUYPLKJGD-NRFANRHFSA-N 1 0 390.499 4.449 50 0 GIAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000096834716 570794123 /nfs/dbraw/zinc/79/41/23/570794123.db2.gz VBJIACMVMBJVTM-DEOSSOPVSA-N 1 0 397.453 4.260 50 0 GIAARO CC[NH+](CC)CCNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000005672145 570796579 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