smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000092075253 282289569 /nfs/dbraw/zinc/28/95/69/282289569.db2.gz GKZLLSSBTAZHQM-LJQANCHMSA-N 0 1 323.440 2.816 20 10 DFCDMN C[C@@H](O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000092969111 398610449 /nfs/dbraw/zinc/61/04/49/398610449.db2.gz FSGZGPFXFGVAPY-SNVBAGLBSA-N 0 1 314.223 2.748 20 10 DFCDMN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000093482001 398639681 /nfs/dbraw/zinc/63/96/81/398639681.db2.gz DNYULVDLLRUKEI-GWCFXTLKSA-N 0 1 314.223 2.890 20 10 DFCDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000093482001 398639683 /nfs/dbraw/zinc/63/96/83/398639683.db2.gz DNYULVDLLRUKEI-GWCFXTLKSA-N 0 1 314.223 2.890 20 10 DFCDMN CCN(Cc1cc(C)c(C)cc1O)[C@@H](C)CS(=O)(=O)CC ZINC000093413921 193246724 /nfs/dbraw/zinc/24/67/24/193246724.db2.gz PXHQZLNALWILRX-AWEZNQCLSA-N 0 1 313.463 2.654 20 10 DFCDMN CCN(Cc1cc(C)c(C)cc1O)[C@H](C)CS(=O)(=O)CC ZINC000093413922 193247518 /nfs/dbraw/zinc/24/75/18/193247518.db2.gz PXHQZLNALWILRX-CQSZACIVSA-N 0 1 313.463 2.654 20 10 DFCDMN CCOCc1cc(CNCc2cnn(CC)c2)ccc1OC ZINC000020349207 182210296 /nfs/dbraw/zinc/21/02/96/182210296.db2.gz IUWMBJLARFDPPL-UHFFFAOYSA-N 0 1 303.406 2.738 20 10 DFCDMN C[C@@H](N[C@@H](C)c1nncn1C)c1cc2c(cc1O)CCCC2 ZINC000273558486 130136586 /nfs/dbraw/zinc/13/65/86/130136586.db2.gz HLMANNACZNDTDH-NEPJUHHUSA-N 0 1 300.406 2.811 20 10 DFCDMN Oc1cc(F)cc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000274445382 130235539 /nfs/dbraw/zinc/23/55/39/130235539.db2.gz PSFJHKVRKLVWSN-UHFFFAOYSA-N 0 1 316.376 2.658 20 10 DFCDMN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000283840990 131027843 /nfs/dbraw/zinc/02/78/43/131027843.db2.gz BQPVMJDLIAZDGC-MRXNPFEDSA-N 0 1 304.434 2.890 20 10 DFCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(F)cc(C(C)=O)c4[O-])[C@H]1[C@H]3C2 ZINC000286422985 131235512 /nfs/dbraw/zinc/23/55/12/131235512.db2.gz IMVLYEXHPXHBCR-DOGAXHHXSA-N 0 1 319.376 2.589 20 10 DFCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(F)cc(C(C)=O)c4[O-])[C@H]1[C@H]3C2 ZINC000286422985 131235513 /nfs/dbraw/zinc/23/55/13/131235513.db2.gz IMVLYEXHPXHBCR-DOGAXHHXSA-N 0 1 319.376 2.589 20 10 DFCDMN C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1[O-] ZINC000287214192 131269293 /nfs/dbraw/zinc/26/92/93/131269293.db2.gz XBTHMVTZRKCNMW-WDEREUQCSA-N 0 1 317.838 2.521 20 10 DFCDMN CN(C)c1ccc(CNCc2cnc(C3OCCO3)s2)cc1 ZINC000289309960 131372738 /nfs/dbraw/zinc/37/27/38/131372738.db2.gz RYZNWIAHPSUOMB-UHFFFAOYSA-N 0 1 319.430 2.544 20 10 DFCDMN CCN(Cc1cn2cccnc2n1)Cc1ccc(N(C)C)cc1 ZINC000298161203 132048939 /nfs/dbraw/zinc/04/89/39/132048939.db2.gz IMJTXKPZETZDKT-UHFFFAOYSA-N 0 1 309.417 2.817 20 10 DFCDMN C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000219903172 542878854 /nfs/dbraw/zinc/87/88/54/542878854.db2.gz GXPPUODRLBCHTK-CABZTGNLSA-N 0 1 300.196 2.812 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CCO)c1[O-] ZINC000050132865 425881526 /nfs/dbraw/zinc/88/15/26/425881526.db2.gz QFTUNAZMSLIOFE-AWEZNQCLSA-N 0 1 311.809 2.985 20 10 DFCDMN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C)cc2)CC1 ZINC000108453873 426016928 /nfs/dbraw/zinc/01/69/28/426016928.db2.gz NYJRVDHWTVUVEQ-GOSISDBHSA-N 0 1 315.461 2.633 20 10 DFCDMN CN(CC(=O)N1CCCc2ccccc21)Cc1ccccc1O ZINC000171646567 426202233 /nfs/dbraw/zinc/20/22/33/426202233.db2.gz XFVGTHHGOLEYAC-UHFFFAOYSA-N 0 1 310.397 2.803 20 10 DFCDMN CN(C)c1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1F ZINC000131336629 426164713 /nfs/dbraw/zinc/16/47/13/426164713.db2.gz ODVRWUPMEISDFO-INIZCTEOSA-N 0 1 315.392 2.940 20 10 DFCDMN Cc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)on1 ZINC000171934500 426219080 /nfs/dbraw/zinc/21/90/80/426219080.db2.gz OYVDTGRHUHVIGF-OAHLLOKOSA-N 0 1 302.374 2.870 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120309753 426309742 /nfs/dbraw/zinc/30/97/42/426309742.db2.gz LAKWITSSDZLNSO-UHFFFAOYSA-N 0 1 318.808 2.912 20 10 DFCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000151062554 426275343 /nfs/dbraw/zinc/27/53/43/426275343.db2.gz DMFPGTDFGGQLFR-CYBMUJFWSA-N 0 1 303.431 2.831 20 10 DFCDMN CCCOc1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000091927918 426345231 /nfs/dbraw/zinc/34/52/31/426345231.db2.gz YYUTVSIOUWCEPO-ZWKOTPCHSA-N 0 1 321.417 2.561 20 10 DFCDMN Cc1cc(O)c(C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1C ZINC000093011473 426352281 /nfs/dbraw/zinc/35/22/81/426352281.db2.gz POCRSTRHFGSKDG-SFHVURJKSA-N 0 1 318.461 2.696 20 10 DFCDMN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCc2[nH]ncc21 ZINC000177387619 426475409 /nfs/dbraw/zinc/47/54/09/426475409.db2.gz DRIFSCCWLJSWKN-INIZCTEOSA-N 0 1 324.428 2.746 20 10 DFCDMN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280304280 426545240 /nfs/dbraw/zinc/54/52/40/426545240.db2.gz PBVJMKZYUQLSAO-BLLLJJGKSA-N 0 1 311.809 2.734 20 10 DFCDMN CCOc1ccc(O)c(CN(CCOC)Cc2ccccn2)c1 ZINC000289764674 426672111 /nfs/dbraw/zinc/67/21/11/426672111.db2.gz KDDGIFHXMCDUDR-UHFFFAOYSA-N 0 1 316.401 2.835 20 10 DFCDMN C[C@H]([NH2+]CCc1cn[nH]c1)c1cc(Br)ccc1[O-] ZINC000289906445 426676512 /nfs/dbraw/zinc/67/65/12/426676512.db2.gz UEXHENROLKHUSV-VIFPVBQESA-N 0 1 310.195 2.771 20 10 DFCDMN C[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(Br)ccc1[O-] ZINC000289906444 426677302 /nfs/dbraw/zinc/67/73/02/426677302.db2.gz UEXHENROLKHUSV-SECBINFHSA-N 0 1 310.195 2.771 20 10 DFCDMN COCc1nc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000290011840 426679477 /nfs/dbraw/zinc/67/94/77/426679477.db2.gz ZWSQSVGCEPKJEV-SECBINFHSA-N 0 1 323.374 2.754 20 10 DFCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1F ZINC000187830516 426697473 /nfs/dbraw/zinc/69/74/73/426697473.db2.gz ZSXMXRRUDWXFDT-ZSEKCTLFSA-N 0 1 314.470 2.871 20 10 DFCDMN Oc1ccc(F)cc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281764731 426761819 /nfs/dbraw/zinc/76/18/19/426761819.db2.gz LSWZSKQTDORETA-JKSUJKDBSA-N 0 1 305.324 2.978 20 10 DFCDMN Oc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246001469 426791305 /nfs/dbraw/zinc/79/13/05/426791305.db2.gz RXGRYKOXHGVWGI-GUYCJALGSA-N 0 1 304.409 2.980 20 10 DFCDMN Oc1ccc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246001469 426791311 /nfs/dbraw/zinc/79/13/11/426791311.db2.gz RXGRYKOXHGVWGI-GUYCJALGSA-N 0 1 304.409 2.980 20 10 DFCDMN COc1cccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000291178372 426880620 /nfs/dbraw/zinc/88/06/20/426880620.db2.gz FKMPFPXEWGTJEB-LJQANCHMSA-N 0 1 313.397 2.537 20 10 DFCDMN CCCCN(CC(=O)Nc1cc(C)on1)Cc1ccccc1O ZINC000282426458 426909388 /nfs/dbraw/zinc/90/93/88/426909388.db2.gz JTFMDCHINUPYQE-UHFFFAOYSA-N 0 1 317.389 2.929 20 10 DFCDMN Cc1ccc(O)c(CN[C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000316320427 426946925 /nfs/dbraw/zinc/94/69/25/426946925.db2.gz YZAKPLSZUWLZKC-ZDUSSCGKSA-N 0 1 300.406 2.869 20 10 DFCDMN CCCc1nc(C)c(CNCc2cc3c(cc2O)OCO3)o1 ZINC000291731766 426967031 /nfs/dbraw/zinc/96/70/31/426967031.db2.gz NWWNCNSSVVULEI-UHFFFAOYSA-N 0 1 304.346 2.660 20 10 DFCDMN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268720450 427102940 /nfs/dbraw/zinc/10/29/40/427102940.db2.gz KNTHWLYJIDDBAD-UONOGXRCSA-N 0 1 321.440 2.991 20 10 DFCDMN NC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269350141 427175856 /nfs/dbraw/zinc/17/58/56/427175856.db2.gz KBHVJVUPAQJXSA-INIZCTEOSA-N 0 1 310.397 2.757 20 10 DFCDMN COC1CCN(c2ccc(C[N@H+]3C[C@H](C)OC[C@H]3C)cc2)CC1 ZINC000296661481 427231189 /nfs/dbraw/zinc/23/11/89/427231189.db2.gz YMPJPWMTJSUIAV-CVEARBPZSA-N 0 1 318.461 2.911 20 10 DFCDMN COC1CCN(c2ccc(CN3C[C@H](C)OC[C@H]3C)cc2)CC1 ZINC000296661481 427231195 /nfs/dbraw/zinc/23/11/95/427231195.db2.gz YMPJPWMTJSUIAV-CVEARBPZSA-N 0 1 318.461 2.911 20 10 DFCDMN Cc1cc(CN2CCN(Cc3ccccn3)CC2)ccc1N(C)C ZINC000293522656 427351962 /nfs/dbraw/zinc/35/19/62/427351962.db2.gz OYAHCTNDQOOALL-UHFFFAOYSA-N 0 1 324.472 2.774 20 10 DFCDMN Cn1cnnc1CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000293601010 427376556 /nfs/dbraw/zinc/37/65/56/427376556.db2.gz GBGIYAVADILDIG-QGZVFWFLSA-N 0 1 322.412 2.984 20 10 DFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000271083174 427398903 /nfs/dbraw/zinc/39/89/03/427398903.db2.gz JSYIRCXVPSRVJT-QMMMGPOBSA-N 0 1 304.173 2.694 20 10 DFCDMN COc1cc(O)c(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1OC ZINC000293887639 427476747 /nfs/dbraw/zinc/47/67/47/427476747.db2.gz DNJGTMSHAZUBTL-KRWDZBQOSA-N 0 1 309.406 2.656 20 10 DFCDMN CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1O ZINC000278476816 427442529 /nfs/dbraw/zinc/44/25/29/427442529.db2.gz KFJDHDSYYDFTJB-WBVHZDCISA-N 0 1 306.450 2.934 20 10 DFCDMN CCOc1ccc(O)c(CNCc2cn3c(n2)CCCC3)c1 ZINC000263714118 427549656 /nfs/dbraw/zinc/54/96/56/427549656.db2.gz AGSMRXZLSHUARC-UHFFFAOYSA-N 0 1 301.390 2.614 20 10 DFCDMN CC[C@H](N[C@H]1CCCn2nc(COC)nc21)c1ccccc1O ZINC000185213969 427614232 /nfs/dbraw/zinc/61/42/32/427614232.db2.gz JMSIOXGRLOTETO-KBPBESRZSA-N 0 1 316.405 2.706 20 10 DFCDMN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cn[nH]c1 ZINC000271537161 427574234 /nfs/dbraw/zinc/57/42/34/427574234.db2.gz QJPLXWNDCAEKFT-STQMWFEESA-N 0 1 318.396 2.797 20 10 DFCDMN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000185317301 427634098 /nfs/dbraw/zinc/63/40/98/427634098.db2.gz DDHNAHVUHRPPPR-CABZTGNLSA-N 0 1 306.797 2.611 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000185386421 427642622 /nfs/dbraw/zinc/64/26/22/427642622.db2.gz XPXYFYRPRNFAGM-KOLCDFICSA-N 0 1 300.196 2.984 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000185386362 427643295 /nfs/dbraw/zinc/64/32/95/427643295.db2.gz XPXYFYRPRNFAGM-GXSJLCMTSA-N 0 1 300.196 2.984 20 10 DFCDMN CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185389000 427645124 /nfs/dbraw/zinc/64/51/24/427645124.db2.gz BYRJZESWGYLXFO-ZANVPECISA-N 0 1 302.212 2.966 20 10 DFCDMN Cc1ccccc1[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294646407 427649095 /nfs/dbraw/zinc/64/90/95/427649095.db2.gz BPAUHQUXQBEASG-SFHVURJKSA-N 0 1 311.429 2.719 20 10 DFCDMN CC1(C)OCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000294706869 427649636 /nfs/dbraw/zinc/64/96/36/427649636.db2.gz DKNAFPOMQDETIW-GFCCVEGCSA-N 0 1 300.196 2.812 20 10 DFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@]2(CCCOC2)C1 ZINC000294718577 427649935 /nfs/dbraw/zinc/64/99/35/427649935.db2.gz PGZPKYJYCNAHCM-OAHLLOKOSA-N 0 1 315.772 2.566 20 10 DFCDMN CCOCc1cc(CNCc2n[nH]c(C(C)C)n2)ccc1OC ZINC000294819948 427659849 /nfs/dbraw/zinc/65/98/49/427659849.db2.gz OUHSMFZXXXPHAD-UHFFFAOYSA-N 0 1 318.421 2.763 20 10 DFCDMN Cc1nocc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294804902 427660185 /nfs/dbraw/zinc/66/01/85/427660185.db2.gz DPFQTQWYWADIBK-INIZCTEOSA-N 0 1 302.374 2.870 20 10 DFCDMN C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000295136119 427708946 /nfs/dbraw/zinc/70/89/46/427708946.db2.gz YUEBQKDHRDYWLI-VIFPVBQESA-N 0 1 302.212 2.794 20 10 DFCDMN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000371422984 428389216 /nfs/dbraw/zinc/38/92/16/428389216.db2.gz HZIAMNJFVVDMAI-SWHYSGLUSA-N 0 1 308.809 2.664 20 10 DFCDMN O=C(N[C@H]1CCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000371338091 428383399 /nfs/dbraw/zinc/38/33/99/428383399.db2.gz YLKMARNPCVRNPX-AWEZNQCLSA-N 0 1 308.809 2.536 20 10 DFCDMN O=C(N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000371338091 428383405 /nfs/dbraw/zinc/38/34/05/428383405.db2.gz YLKMARNPCVRNPX-AWEZNQCLSA-N 0 1 308.809 2.536 20 10 DFCDMN O=C(N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000371338091 428383412 /nfs/dbraw/zinc/38/34/12/428383412.db2.gz YLKMARNPCVRNPX-AWEZNQCLSA-N 0 1 308.809 2.536 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@]2(CCOC2)O1 ZINC000373493050 428591611 /nfs/dbraw/zinc/59/16/11/428591611.db2.gz GYZFOJKWPWWJFE-CZUORRHYSA-N 0 1 311.809 2.816 20 10 DFCDMN Cn1cc(C[C@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000364473234 429211251 /nfs/dbraw/zinc/21/12/51/429211251.db2.gz RBALXJYWVTTYRT-LLVKDONJSA-N 0 1 323.799 2.983 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@]1(CO)COc2ccccc2C1 ZINC000527768928 429795050 /nfs/dbraw/zinc/79/50/50/429795050.db2.gz HMOLKJLZJUUEKW-KRWDZBQOSA-N 0 1 319.788 2.501 20 10 DFCDMN C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000527958322 429828137 /nfs/dbraw/zinc/82/81/37/429828137.db2.gz VARRNZPSRDKLMB-JCURWCKSSA-N 0 1 301.386 2.736 20 10 DFCDMN C[C@@H]([NH2+]CC1CC(O)C1)c1cc(Br)ccc1[O-] ZINC000528019964 429837590 /nfs/dbraw/zinc/83/75/90/429837590.db2.gz VZIDMOYJVAZJFA-FKTRJACZSA-N 0 1 300.196 2.576 20 10 DFCDMN CC[C@H](c1ccccc1O)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000368795012 429894350 /nfs/dbraw/zinc/89/43/50/429894350.db2.gz DHCCBGLNVYDVPH-SJLPKXTDSA-N 0 1 317.477 2.555 20 10 DFCDMN CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000368795012 429894352 /nfs/dbraw/zinc/89/43/52/429894352.db2.gz DHCCBGLNVYDVPH-SJLPKXTDSA-N 0 1 317.477 2.555 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]3COC[C@H]32)c1[O-] ZINC000369215956 429919747 /nfs/dbraw/zinc/91/97/47/429919747.db2.gz SJDVBCHQNKRBJQ-TVQRCGJNSA-N 0 1 312.753 2.565 20 10 DFCDMN CC1(N2CCOCC2)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000529663292 430047842 /nfs/dbraw/zinc/04/78/42/430047842.db2.gz JBSIVESIWWZRCD-UHFFFAOYSA-N 0 1 324.852 2.732 20 10 DFCDMN C[C@@H]1OCC[C@@]12CN(Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733589 278060051 /nfs/dbraw/zinc/06/00/51/278060051.db2.gz QGCCYSAPTLTSHG-ZUZCIYMTSA-N 0 1 315.772 2.565 20 10 DFCDMN C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N1CCOCC1 ZINC000184935360 278210707 /nfs/dbraw/zinc/21/07/07/278210707.db2.gz KWFGWTWZCPRMCQ-HUUCEWRRSA-N 0 1 314.429 2.917 20 10 DFCDMN C[C@H]([NH2+]CC1CC(O)C1)c1ccc(Br)cc1[O-] ZINC000528017943 300728464 /nfs/dbraw/zinc/72/84/64/300728464.db2.gz JIKJKHGCQDOLNI-SILCLGDVSA-N 0 1 300.196 2.576 20 10 DFCDMN CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000293616064 335110132 /nfs/dbraw/zinc/11/01/32/335110132.db2.gz KKBBRWGKJWYXTO-CQSZACIVSA-N 0 1 310.825 2.782 20 10 DFCDMN COc1ccncc1CNCc1cc(Cl)cc(OC)c1O ZINC000293841754 335115188 /nfs/dbraw/zinc/11/51/88/335115188.db2.gz HDROTKDNZYAOKR-UHFFFAOYSA-N 0 1 308.765 2.748 20 10 DFCDMN 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O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[O-])CN1 ZINC000092105161 398558539 /nfs/dbraw/zinc/55/85/39/398558539.db2.gz PBEPFSGROKZZLQ-RISCZKNCSA-N 0 1 308.809 2.536 20 10 DFCDMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[O-])CN1 ZINC000092105161 398558542 /nfs/dbraw/zinc/55/85/42/398558542.db2.gz PBEPFSGROKZZLQ-RISCZKNCSA-N 0 1 308.809 2.536 20 10 DFCDMN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000093482002 398639667 /nfs/dbraw/zinc/63/96/67/398639667.db2.gz DNYULVDLLRUKEI-MFKMUULPSA-N 0 1 314.223 2.890 20 10 DFCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000093482002 398639669 /nfs/dbraw/zinc/63/96/69/398639669.db2.gz DNYULVDLLRUKEI-MFKMUULPSA-N 0 1 314.223 2.890 20 10 DFCDMN O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(F)c2[O-])CCN1 ZINC000272234722 296349809 /nfs/dbraw/zinc/34/98/09/296349809.db2.gz FLPOKFAZUXEHQP-MRXNPFEDSA-N 0 1 314.360 2.595 20 10 DFCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000272256657 130013460 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2.614 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000273514994 130130444 /nfs/dbraw/zinc/13/04/44/130130444.db2.gz SJQYMXAAXDXSTK-FZKQIMNGSA-N 0 1 315.413 2.984 20 10 DFCDMN COCC1([NH2+]Cc2cc(Br)ccc2[O-])CCC1 ZINC000283807278 131025235 /nfs/dbraw/zinc/02/52/35/131025235.db2.gz BENAGJJPDGTSON-UHFFFAOYSA-N 0 1 300.196 2.813 20 10 DFCDMN C[C@H](O)c1ncc(CNCc2ccc(N(C)C)c(F)c2)s1 ZINC000289058570 131355395 /nfs/dbraw/zinc/35/53/95/131355395.db2.gz BUBMBNVMENTUAS-JTQLQIEISA-N 0 1 309.410 2.691 20 10 DFCDMN Cc1ccc(CN(CC[NH+](C)C)Cc2cccc(F)c2[O-])o1 ZINC000289445676 131387190 /nfs/dbraw/zinc/38/71/90/131387190.db2.gz MKZFVZAQUGUBIE-UHFFFAOYSA-N 0 1 306.381 2.997 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCC(O)CC1 ZINC000060201683 425898624 /nfs/dbraw/zinc/89/86/24/425898624.db2.gz ANYDYRGHIGBEBA-UHFFFAOYSA-N 0 1 300.196 2.548 20 10 DFCDMN CN1CCCc2cc(CNC(=O)[C@H]3CCCc4[nH]ncc43)ccc21 ZINC000133963023 426184716 /nfs/dbraw/zinc/18/47/16/426184716.db2.gz PKYWVLHUDMSGLJ-HNNXBMFYSA-N 0 1 324.428 2.528 20 10 DFCDMN C[C@@H]1CN(Cc2cc(Br)ccc2O)CCCO1 ZINC000134154724 426185669 /nfs/dbraw/zinc/18/56/69/426185669.db2.gz CATJUTVFEDGDBL-SNVBAGLBSA-N 0 1 300.196 2.766 20 10 DFCDMN Cc1cc(C(=O)N(C)Cc2nnc[nH]2)c(C)n1-c1ccccc1C ZINC000174158795 426252051 /nfs/dbraw/zinc/25/20/51/426252051.db2.gz HFWYQUZZUYKSNY-UHFFFAOYSA-N 0 1 323.400 2.793 20 10 DFCDMN CC[C@@H]([NH2+]C[C@@H](O)CC)c1cc(Br)ccc1[O-] ZINC000124367226 426481716 /nfs/dbraw/zinc/48/17/16/426481716.db2.gz AHGMSWITOAABDO-CMPLNLGQSA-N 0 1 302.212 2.966 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000289960380 426677905 /nfs/dbraw/zinc/67/79/05/426677905.db2.gz ZBXAOZXPPJLFRA-WDEREUQCSA-N 0 1 307.287 2.524 20 10 DFCDMN CCc1nnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000290022569 426679745 /nfs/dbraw/zinc/67/97/45/426679745.db2.gz CJBFJIDCLZCTBO-QMMMGPOBSA-N 0 1 308.363 2.565 20 10 DFCDMN C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Cl)ccc1[O-] ZINC000281184257 426704702 /nfs/dbraw/zinc/70/47/02/426704702.db2.gz XCDAFIMLKQETEG-OVWNDWIMSA-N 0 1 301.839 2.997 20 10 DFCDMN COc1ccc(O)c(CN2CCCC[C@@H]2c2ccnn2C)c1 ZINC000281302025 426709862 /nfs/dbraw/zinc/70/98/62/426709862.db2.gz PVOVLTOODKXCSY-MRXNPFEDSA-N 0 1 301.390 2.862 20 10 DFCDMN c1cc(N2CCOCC2)ccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245540891 426750874 /nfs/dbraw/zinc/75/08/74/426750874.db2.gz NENDGIKVEAWEKD-RTBURBONSA-N 0 1 316.445 2.667 20 10 DFCDMN O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179702544 426815200 /nfs/dbraw/zinc/81/52/00/426815200.db2.gz ZNYHXCHPVJJJAI-CQSZACIVSA-N 0 1 322.836 2.784 20 10 DFCDMN Cc1ccccc1[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000295284822 426890626 /nfs/dbraw/zinc/89/06/26/426890626.db2.gz WNTKQLZBJZBBSJ-LJQANCHMSA-N 0 1 324.424 2.896 20 10 DFCDMN COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000291506146 426900408 /nfs/dbraw/zinc/90/04/08/426900408.db2.gz HUEDDROTKADDAH-OAHLLOKOSA-N 0 1 306.362 2.929 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000291506146 426900415 /nfs/dbraw/zinc/90/04/15/426900415.db2.gz HUEDDROTKADDAH-OAHLLOKOSA-N 0 1 306.362 2.929 20 10 DFCDMN CC(=O)NCCN(Cc1ccsc1)Cc1cccc(C)c1O ZINC000283112333 426956788 /nfs/dbraw/zinc/95/67/88/426956788.db2.gz UORYDWZNYGKUSO-UHFFFAOYSA-N 0 1 318.442 2.900 20 10 DFCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000276045976 426973793 /nfs/dbraw/zinc/97/37/93/426973793.db2.gz RGFYYCHFOMNUQV-HAQNSBGRSA-N 0 1 314.769 2.689 20 10 DFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275904320 426944709 /nfs/dbraw/zinc/94/47/09/426944709.db2.gz DNGAONBYSUJFKO-JOCQHMNTSA-N 0 1 314.223 2.890 20 10 DFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275904320 426944711 /nfs/dbraw/zinc/94/47/11/426944711.db2.gz DNGAONBYSUJFKO-JOCQHMNTSA-N 0 1 314.223 2.890 20 10 DFCDMN CNC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000292008472 427057077 /nfs/dbraw/zinc/05/70/77/427057077.db2.gz 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2.852 20 10 DFCDMN C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000192714288 427593325 /nfs/dbraw/zinc/59/33/25/427593325.db2.gz IWJQZBBVCBEHOQ-HUUCEWRRSA-N 0 1 314.429 2.917 20 10 DFCDMN CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185389903 427644898 /nfs/dbraw/zinc/64/48/98/427644898.db2.gz ZHXISQRNUNGGJL-TVQRCGJNSA-N 0 1 302.212 2.966 20 10 DFCDMN CCOCc1cc(CNCc2n[nH]c(C3CC3)n2)ccc1OC ZINC000294858285 427661832 /nfs/dbraw/zinc/66/18/32/427661832.db2.gz SUSNMBDHYRWTAT-UHFFFAOYSA-N 0 1 316.405 2.517 20 10 DFCDMN Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c(=O)n1C ZINC000279458121 427678318 /nfs/dbraw/zinc/67/83/18/427678318.db2.gz IRQVTQWYWJDWSZ-LLVKDONJSA-N 0 1 306.793 2.904 20 10 DFCDMN CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185800889 427708261 /nfs/dbraw/zinc/70/82/61/427708261.db2.gz RNIHNSONVDLNEH-MWLCHTKSSA-N 0 1 302.212 2.966 20 10 DFCDMN CC[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@]2(CCOC2)O1 ZINC000369545195 427995796 /nfs/dbraw/zinc/99/57/96/427995796.db2.gz 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429828181 /nfs/dbraw/zinc/82/81/81/429828181.db2.gz VARRNZPSRDKLMB-ZLIFDBKOSA-N 0 1 301.386 2.736 20 10 DFCDMN CN(C)[C@]1(C(=O)N(C)Cc2ccccc2O)CCc2ccccc21 ZINC000369229312 429920867 /nfs/dbraw/zinc/92/08/67/429920867.db2.gz DXVQHQQREFOZOI-HXUWFJFHSA-N 0 1 324.424 2.754 20 10 DFCDMN COC1CCN(c2ccc(CN3CCO[C@H](C)[C@@H]3C)cc2)CC1 ZINC000296754848 277194630 /nfs/dbraw/zinc/19/46/30/277194630.db2.gz LAOSTTHFAXRDLB-JKSUJKDBSA-N 0 1 318.461 2.911 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1[O-] ZINC000271884576 278244318 /nfs/dbraw/zinc/24/43/18/278244318.db2.gz AIIYJGXCEUJOPC-KRWDZBQOSA-N 0 1 309.381 2.861 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@]2(C)CCCO)c1[O-] ZINC000271884576 278244320 /nfs/dbraw/zinc/24/43/20/278244320.db2.gz AIIYJGXCEUJOPC-KRWDZBQOSA-N 0 1 309.381 2.861 20 10 DFCDMN COC(=O)[C@@H]1CCCCCN1[C@@H](C)c1cc(OC)ccc1O ZINC000368030851 332171720 /nfs/dbraw/zinc/17/17/20/332171720.db2.gz PYAOMIIYSYVDHS-WFASDCNBSA-N 0 1 307.390 2.879 20 10 DFCDMN 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[O-]c1ccc(Cl)cc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000374135035 336981965 /nfs/dbraw/zinc/98/19/65/336981965.db2.gz DWEVLBCWXQFPPR-KRWDZBQOSA-N 0 1 319.788 2.806 20 10 DFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000377094666 337046714 /nfs/dbraw/zinc/04/67/14/337046714.db2.gz WIDMPNOLCCIPMU-NDMJEZRESA-N 0 1 316.184 2.740 20 10 DFCDMN CN(C)c1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1F ZINC000378369922 337071004 /nfs/dbraw/zinc/07/10/04/337071004.db2.gz MFECKDLMWYLZLI-CVEARBPZSA-N 0 1 310.438 2.598 20 10 DFCDMN Cc1ccc([C@@H](C)NCc2nnc3n2CCCCC3)c(O)c1 ZINC000184878125 337200615 /nfs/dbraw/zinc/20/06/15/337200615.db2.gz LJQAXNMIVPBGEX-CYBMUJFWSA-N 0 1 300.406 2.869 20 10 DFCDMN Cn1cc([C@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000191381690 337296482 /nfs/dbraw/zinc/29/64/82/337296482.db2.gz GMVICZKQOZKQQF-JTQLQIEISA-N 0 1 309.772 2.908 20 10 DFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000191440630 337296924 /nfs/dbraw/zinc/29/69/24/337296924.db2.gz 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CN(C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1)C(=O)[O-] ZINC000739663225 602524684 /nfs/dbraw/zinc/52/46/84/602524684.db2.gz CAJYSFOMSIMMQC-ZDUSSCGKSA-N 0 1 314.385 2.977 20 10 DFCDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000833554029 604675040 /nfs/dbraw/zinc/67/50/40/604675040.db2.gz MFHXBAFRKYVLEQ-GOSISDBHSA-N 0 1 302.418 2.974 20 10 DFCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]3CC(=O)[O-])c2c1 ZINC000832504748 604980314 /nfs/dbraw/zinc/98/03/14/604980314.db2.gz WCXLIZBNTNXWJZ-CYBMUJFWSA-N 0 1 315.369 2.993 20 10 DFCDMN CCCN(CC(=O)NC)Cc1ccc(N2CCCCC2)cc1 ZINC000092381482 185314687 /nfs/dbraw/zinc/31/46/87/185314687.db2.gz KOFBHYDKMQRTCD-UHFFFAOYSA-N 0 1 303.450 2.635 20 10 DFCDMN CO[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000091772177 193104960 /nfs/dbraw/zinc/10/49/60/193104960.db2.gz JABOFDPUTOCIGY-GFCCVEGCSA-N 0 1 300.196 2.766 20 10 DFCDMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091986196 193137243 /nfs/dbraw/zinc/13/72/43/193137243.db2.gz 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ZINC000293772946 543021518 /nfs/dbraw/zinc/02/15/18/543021518.db2.gz SUYZADSEJJPPGT-GFCCVEGCSA-N 0 1 318.446 2.534 20 10 DFCDMN C[C@H](C(=O)NC1CCC(C)CC1)N(C)Cc1ccccc1O ZINC000109769647 426032677 /nfs/dbraw/zinc/03/26/77/426032677.db2.gz CGOHPOCRGMNSEJ-NPCAHTBFSA-N 0 1 304.434 2.907 20 10 DFCDMN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cc[nH]n3)C2)cc1 ZINC000174621583 426261289 /nfs/dbraw/zinc/26/12/89/426261289.db2.gz DVUYJYACKXMODC-CYBMUJFWSA-N 0 1 322.359 2.770 20 10 DFCDMN c1cc(N2CCOCC2)ccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000091978958 426345756 /nfs/dbraw/zinc/34/57/56/426345756.db2.gz NENDGIKVEAWEKD-OALUTQOASA-N 0 1 316.445 2.667 20 10 DFCDMN Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1C ZINC000093011470 426353593 /nfs/dbraw/zinc/35/35/93/426353593.db2.gz POCRSTRHFGSKDG-GOSISDBHSA-N 0 1 318.461 2.696 20 10 DFCDMN NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093808879 426357976 /nfs/dbraw/zinc/35/79/76/426357976.db2.gz HYJFZUVDFGAFRP-VIFPVBQESA-N 0 1 317.216 2.786 20 10 DFCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)C[C@]2(CCOC2)O1 ZINC000280186908 426517432 /nfs/dbraw/zinc/51/74/32/426517432.db2.gz HCMKSQUANVZCSD-INIZCTEOSA-N 0 1 311.809 2.816 20 10 DFCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)C[C@]2(CCOC2)O1 ZINC000280186908 426517434 /nfs/dbraw/zinc/51/74/34/426517434.db2.gz HCMKSQUANVZCSD-INIZCTEOSA-N 0 1 311.809 2.816 20 10 DFCDMN CC1(C)CN(Cc2c(O)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000280186908 426517439 /nfs/dbraw/zinc/51/74/39/426517439.db2.gz HCMKSQUANVZCSD-INIZCTEOSA-N 0 1 311.809 2.816 20 10 DFCDMN Cc1ccc([C@H](N)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000280448165 426577241 /nfs/dbraw/zinc/57/72/41/426577241.db2.gz CNLQGUCKEITRNB-IBGZPJMESA-N 0 1 323.440 2.911 20 10 DFCDMN Cc1cnn(C)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000289185088 426600347 /nfs/dbraw/zinc/60/03/47/426600347.db2.gz TYIOMSHOSNMOHX-INIZCTEOSA-N 0 1 315.417 2.615 20 10 DFCDMN C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000186865202 426600684 /nfs/dbraw/zinc/60/06/84/426600684.db2.gz 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ZINC000247287866 426923356 /nfs/dbraw/zinc/92/33/56/426923356.db2.gz YYUTVSIOUWCEPO-MSOLQXFVSA-N 0 1 321.417 2.561 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000291259013 426880857 /nfs/dbraw/zinc/88/08/57/426880857.db2.gz MTKJAFMYQQODCC-GFCCVEGCSA-N 0 1 322.752 2.597 20 10 DFCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1O ZINC000276085637 426983348 /nfs/dbraw/zinc/98/33/48/426983348.db2.gz XOUNMZNWZVTVMA-LBPRGKRZSA-N 0 1 314.769 2.547 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1[O-] ZINC000268883951 427138987 /nfs/dbraw/zinc/13/89/87/427138987.db2.gz YQALCLWLIBTGMA-LLVKDONJSA-N 0 1 322.752 2.844 20 10 DFCDMN CCCCN(Cc1ccccc1O)Cc1nccnc1OC ZINC000296890381 427265179 /nfs/dbraw/zinc/26/51/79/427265179.db2.gz QHVNJTMIIQVRFG-UHFFFAOYSA-N 0 1 301.390 2.993 20 10 DFCDMN C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000277656378 427275295 /nfs/dbraw/zinc/27/52/95/427275295.db2.gz DZPBHSMITLWCIS-JOYOIKCWSA-N 0 1 300.196 2.669 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277705222 427290617 /nfs/dbraw/zinc/29/06/17/427290617.db2.gz RSSNVDOSQIEGCJ-UHFFFAOYSA-N 0 1 318.808 2.594 20 10 DFCDMN C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000293327453 427290678 /nfs/dbraw/zinc/29/06/78/427290678.db2.gz FVUBRLUWZKBOPO-KBVBSXBZSA-N 0 1 300.196 2.983 20 10 DFCDMN COc1c([O-])c(C[N@H+](C)C2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000278140077 427416608 /nfs/dbraw/zinc/41/66/08/427416608.db2.gz AUZGIKMHYLEFNR-UHFFFAOYSA-N 0 1 324.377 2.698 20 10 DFCDMN COc1c(O)c(C[N@H+]2CCC[C@@H]2CSC)ccc1[N+](=O)[O-] ZINC000278178538 427423230 /nfs/dbraw/zinc/42/32/30/427423230.db2.gz GOZSCFDYINZNBV-LLVKDONJSA-N 0 1 312.391 2.636 20 10 DFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2CSC)ccc1[N+](=O)[O-] ZINC000278178538 427423237 /nfs/dbraw/zinc/42/32/37/427423237.db2.gz GOZSCFDYINZNBV-LLVKDONJSA-N 0 1 312.391 2.636 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2CSC)ccc1[N+](=O)[O-] ZINC000278178538 427423238 /nfs/dbraw/zinc/42/32/38/427423238.db2.gz GOZSCFDYINZNBV-LLVKDONJSA-N 0 1 312.391 2.636 20 10 DFCDMN COc1c([O-])c(C[NH2+][C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278945982 427510832 /nfs/dbraw/zinc/51/08/32/427510832.db2.gz YODPTPQCXJOLCF-SNVBAGLBSA-N 0 1 303.318 2.555 20 10 DFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000271743524 427586373 /nfs/dbraw/zinc/58/63/73/427586373.db2.gz RVAOXNHXNOCTCY-CMPLNLGQSA-N 0 1 309.715 2.933 20 10 DFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000294459541 427646697 /nfs/dbraw/zinc/64/66/97/427646697.db2.gz YUCVKHSYVHPSJF-TZMCWYRMSA-N 0 1 317.813 2.891 20 10 DFCDMN C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])CN1CCOCC1 ZINC000185504699 427664023 /nfs/dbraw/zinc/66/40/23/427664023.db2.gz VPXWTQNHRUAITK-CHWSQXEVSA-N 0 1 312.841 2.665 20 10 DFCDMN COCCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185553672 427672059 /nfs/dbraw/zinc/67/20/59/427672059.db2.gz IKYHSKQPMJYCNG-LBPRGKRZSA-N 0 1 300.830 2.665 20 10 DFCDMN CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185802279 427709674 /nfs/dbraw/zinc/70/96/74/427709674.db2.gz QDDWMHHEMIYVQC-MWLCHTKSSA-N 0 1 302.212 2.966 20 10 DFCDMN COc1ccc(N2CCN(C[C@@H]3CCC=CO3)CC2)cc1F ZINC000194064458 427728334 /nfs/dbraw/zinc/72/83/34/427728334.db2.gz FKNWTECPLRGELC-HNNXBMFYSA-N 0 1 306.381 2.649 20 10 DFCDMN C[N@@H+]1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC000194539705 427747118 /nfs/dbraw/zinc/74/71/18/427747118.db2.gz VIJUCPJAORUOMW-PHIMTYICSA-N 0 1 301.217 2.692 20 10 DFCDMN CC[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@]2(CCOC2)O1 ZINC000369545193 427995658 /nfs/dbraw/zinc/99/56/58/427995658.db2.gz DOEBFDFEHZWQOP-GDBMZVCRSA-N 0 1 311.809 2.816 20 10 DFCDMN CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000370073469 428128692 /nfs/dbraw/zinc/12/86/92/428128692.db2.gz OMRLSAIOVFSBMU-CYBMUJFWSA-N 0 1 304.369 2.522 20 10 DFCDMN Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])n1 ZINC000371415693 428389166 /nfs/dbraw/zinc/38/91/66/428389166.db2.gz CZXVORWVVQDOIO-OAHLLOKOSA-N 0 1 320.824 2.919 20 10 DFCDMN Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])n1 ZINC000371415693 428389170 /nfs/dbraw/zinc/38/91/70/428389170.db2.gz CZXVORWVVQDOIO-OAHLLOKOSA-N 0 1 320.824 2.919 20 10 DFCDMN C[C@@H]1OCC[C@]12CN(Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466383 428583761 /nfs/dbraw/zinc/58/37/61/428583761.db2.gz OIQJJNUUIZPHCU-BONVTDFDSA-N 0 1 315.772 2.565 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@]2(CCOC2)O1 ZINC000373493051 428590268 /nfs/dbraw/zinc/59/02/68/428590268.db2.gz GYZFOJKWPWWJFE-XJKSGUPXSA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373979275 428658201 /nfs/dbraw/zinc/65/82/01/428658201.db2.gz WDZFPLGGDDAATK-PBFPGSCMSA-N 0 1 309.381 2.690 20 10 DFCDMN CN(C)c1ccc(CN2CCCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000362349708 428715064 /nfs/dbraw/zinc/71/50/64/428715064.db2.gz BZNUDNUYUWEATC-UHFFFAOYSA-N 0 1 317.477 2.833 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1[O-] ZINC000363868537 429131570 /nfs/dbraw/zinc/13/15/70/429131570.db2.gz NUSDANAMTSHTGH-WCQYABFASA-N 0 1 320.824 2.709 20 10 DFCDMN Cc1cccc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000364074912 429167838 /nfs/dbraw/zinc/16/78/38/429167838.db2.gz UUEOLFNAGHWAQF-INIZCTEOSA-N 0 1 302.418 2.678 20 10 DFCDMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000364473235 429210483 /nfs/dbraw/zinc/21/04/83/429210483.db2.gz RBALXJYWVTTYRT-NSHDSACASA-N 0 1 323.799 2.983 20 10 DFCDMN C[C@@H]1CC[S@@](=O)CCN1Cc1c(O)ccc(Cl)c1F ZINC000365445588 429321241 /nfs/dbraw/zinc/32/12/41/429321241.db2.gz WPSRZWKZDAHHCA-AYLIAGHASA-N 0 1 305.802 2.528 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCC(c3cn[nH]c3)CC2)c1O ZINC000365906586 429398841 /nfs/dbraw/zinc/39/88/41/429398841.db2.gz NHCDNXRVANGHLL-UHFFFAOYSA-N 0 1 317.364 2.837 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1[O-] ZINC000365906586 429398850 /nfs/dbraw/zinc/39/88/50/429398850.db2.gz NHCDNXRVANGHLL-UHFFFAOYSA-N 0 1 317.364 2.837 20 10 DFCDMN Cc1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000366678194 429491807 /nfs/dbraw/zinc/49/18/07/429491807.db2.gz LSUIHSVRIZOJRA-SKDRFNHKSA-N 0 1 306.797 2.611 20 10 DFCDMN CCCOc1ccc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000280300631 276019720 /nfs/dbraw/zinc/01/97/20/276019720.db2.gz OWMJMOBTBCZUBL-RDTXWAMCSA-N 0 1 321.417 2.561 20 10 DFCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCn2ccnc2C1 ZINC000367667078 429695387 /nfs/dbraw/zinc/69/53/87/429695387.db2.gz AAMTXQUMKPXRKL-GFCCVEGCSA-N 0 1 305.809 2.937 20 10 DFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCn2ccnc2C1 ZINC000367667078 429695391 /nfs/dbraw/zinc/69/53/91/429695391.db2.gz AAMTXQUMKPXRKL-GFCCVEGCSA-N 0 1 305.809 2.937 20 10 DFCDMN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc(Cl)c1[O-] ZINC000367757465 429712176 /nfs/dbraw/zinc/71/21/76/429712176.db2.gz ZIDNTMSAUGGCSQ-BMFZPTHFSA-N 0 1 324.852 2.729 20 10 DFCDMN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(Br)ccc1[O-] ZINC000527766690 429795183 /nfs/dbraw/zinc/79/51/83/429795183.db2.gz PMJZQXXRKCWEDD-YGRLFVJLSA-N 0 1 312.207 2.812 20 10 DFCDMN CC[C@@H]([NH2+]CC1COC1)c1cc(Br)ccc1[O-] ZINC000528029643 429839093 /nfs/dbraw/zinc/83/90/93/429839093.db2.gz ZWNCQDZSQVGXDZ-GFCCVEGCSA-N 0 1 300.196 2.842 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC12CCOCC2 ZINC000368475708 429854932 /nfs/dbraw/zinc/85/49/32/429854932.db2.gz VSPSLOHSULOCLZ-UHFFFAOYSA-N 0 1 312.207 2.910 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC12CCOCC2 ZINC000368475708 429854935 /nfs/dbraw/zinc/85/49/35/429854935.db2.gz VSPSLOHSULOCLZ-UHFFFAOYSA-N 0 1 312.207 2.910 20 10 DFCDMN CC[C@@H](c1ccccc1O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000368725634 429890760 /nfs/dbraw/zinc/89/07/60/429890760.db2.gz WXZSZJJLLKVLDL-RDJZCZTQSA-N 0 1 301.390 2.650 20 10 DFCDMN C[C@H]([NH2+]CCCN1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000192933778 278258393 /nfs/dbraw/zinc/25/83/93/278258393.db2.gz MMRXZJRKAFIFAK-HNNXBMFYSA-N 0 1 314.429 2.918 20 10 DFCDMN C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000278845507 332137918 /nfs/dbraw/zinc/13/79/18/332137918.db2.gz PZIQYDMIKZUEPW-LXIYXOSZSA-N 0 1 301.386 2.736 20 10 DFCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000293945758 335115983 /nfs/dbraw/zinc/11/59/83/335115983.db2.gz OQMBSUSUZAYROY-AWEZNQCLSA-N 0 1 311.809 2.934 20 10 DFCDMN Cc1cc(CN(CCCO)Cc2ccccn2)ccc1N(C)C ZINC000294033831 335117265 /nfs/dbraw/zinc/11/72/65/335117265.db2.gz IGMSBKBTCNJHLL-UHFFFAOYSA-N 0 1 313.445 2.841 20 10 DFCDMN COc1c([O-])c(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000295066242 335131684 /nfs/dbraw/zinc/13/16/84/335131684.db2.gz QPYAJXIHLZJGMV-CYBMUJFWSA-N 0 1 324.377 2.556 20 10 DFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295455804 335134911 /nfs/dbraw/zinc/13/49/11/335134911.db2.gz VOJRONGMMLINES-VIFPVBQESA-N 0 1 301.745 2.570 20 10 DFCDMN COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185467476 333370217 /nfs/dbraw/zinc/37/02/17/333370217.db2.gz AHYFHMTUTYJEFU-UGSOOPFHSA-N 0 1 303.402 2.984 20 10 DFCDMN COc1cccc(CN2CCN(c3ccccc3F)CC2)c1O ZINC000023281675 333401371 /nfs/dbraw/zinc/40/13/71/333401371.db2.gz AWKFUBJDCLSLQE-UHFFFAOYSA-N 0 1 316.376 2.862 20 10 DFCDMN CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Br)ccc1[O-] ZINC000296035354 335139647 /nfs/dbraw/zinc/13/96/47/335139647.db2.gz TXAPTGKXFVILDO-JFGNBEQYSA-N 0 1 300.196 2.719 20 10 DFCDMN C[C@H]([NH2+]CCN1CCSCC1)c1cc(Cl)ccc1[O-] ZINC000273466069 334047442 /nfs/dbraw/zinc/04/74/42/334047442.db2.gz DSUXMUYFUPFTLH-NSHDSACASA-N 0 1 300.855 2.745 20 10 DFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000289525841 334166236 /nfs/dbraw/zinc/16/62/36/334166236.db2.gz PSBBTIACQXWFED-TXEJJXNPSA-N 0 1 300.196 2.764 20 10 DFCDMN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC000289525841 334166238 /nfs/dbraw/zinc/16/62/38/334166238.db2.gz PSBBTIACQXWFED-TXEJJXNPSA-N 0 1 300.196 2.764 20 10 DFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC000289525841 334166240 /nfs/dbraw/zinc/16/62/40/334166240.db2.gz PSBBTIACQXWFED-TXEJJXNPSA-N 0 1 300.196 2.764 20 10 DFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@]12CCCO2 ZINC000368707992 336851218 /nfs/dbraw/zinc/85/12/18/336851218.db2.gz UTCYWTHKTQAFII-BZUAXINKSA-N 0 1 311.809 2.862 20 10 DFCDMN O=C1NCCN(Cc2cccc(Cl)c2O)[C@H]1c1cccs1 ZINC000373217383 336953259 /nfs/dbraw/zinc/95/32/59/336953259.db2.gz QNYABVNQMDQWBT-ZDUSSCGKSA-N 0 1 322.817 2.780 20 10 DFCDMN CN(C)c1ccc(C2=CCN(C[C@@](C)(O)C(F)(F)F)C2)cc1 ZINC000375615244 337014752 /nfs/dbraw/zinc/01/47/52/337014752.db2.gz VNPMNKDQRCDEKG-OAHLLOKOSA-N 0 1 314.351 2.765 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000305173675 337016809 /nfs/dbraw/zinc/01/68/09/337016809.db2.gz QHYZNGSGVSPPSP-KRWDZBQOSA-N 0 1 303.789 2.969 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1[O-] ZINC000376495427 337035056 /nfs/dbraw/zinc/03/50/56/337035056.db2.gz OBMLEVQSVGNFTO-WBMJQRKESA-N 0 1 322.836 2.774 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1[O-] ZINC000376495427 337035057 /nfs/dbraw/zinc/03/50/57/337035057.db2.gz OBMLEVQSVGNFTO-WBMJQRKESA-N 0 1 322.836 2.774 20 10 DFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000377094665 337046782 /nfs/dbraw/zinc/04/67/82/337046782.db2.gz WIDMPNOLCCIPMU-IRUJWGPZSA-N 0 1 316.184 2.740 20 10 DFCDMN COc1ccc(O)c([C@@H](C)N[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000377613675 337056161 /nfs/dbraw/zinc/05/61/61/337056161.db2.gz FETQAYSAYZUKAN-PXAZEXFGSA-N 0 1 324.384 2.959 20 10 DFCDMN CC(C)(C)C(=O)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000378497305 337074471 /nfs/dbraw/zinc/07/44/71/337074471.db2.gz NGPGYEVHKFWVBP-UHFFFAOYSA-N 0 1 308.397 2.612 20 10 DFCDMN COc1ccc(N2CCCN([C@H](C)c3cnccn3)CC2)cc1 ZINC000184463704 337198969 /nfs/dbraw/zinc/19/89/69/337198969.db2.gz ARPKMCITNPPKHG-OAHLLOKOSA-N 0 1 312.417 2.759 20 10 DFCDMN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1O ZINC000184695327 337199821 /nfs/dbraw/zinc/19/98/21/337199821.db2.gz DBTWJIBTZAMDOP-YWXMQNBFSA-N 0 1 311.809 2.647 20 10 DFCDMN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(Br)ccc1[O-] ZINC000527766682 337762225 /nfs/dbraw/zinc/76/22/25/337762225.db2.gz PMJZQXXRKCWEDD-IINYFYTJSA-N 0 1 312.207 2.812 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000247882192 341370974 /nfs/dbraw/zinc/37/09/74/341370974.db2.gz BZFXTLZLVUWSMC-SUMWQHHRSA-N 0 1 320.408 2.650 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000365110176 518278166 /nfs/dbraw/zinc/27/81/66/518278166.db2.gz PFYNYARZCRVIKT-MRXNPFEDSA-N 0 1 309.793 2.595 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000365110176 518278172 /nfs/dbraw/zinc/27/81/72/518278172.db2.gz PFYNYARZCRVIKT-MRXNPFEDSA-N 0 1 309.793 2.595 20 10 DFCDMN CN(C)Cc1ccsc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000268013981 521938181 /nfs/dbraw/zinc/93/81/81/521938181.db2.gz HHBIAFOETWDRBU-UHFFFAOYSA-N 0 1 317.458 2.806 20 10 DFCDMN CO[C@H](C)c1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000267619946 523915345 /nfs/dbraw/zinc/91/53/45/523915345.db2.gz KOMCQBJMSAJCSE-SECBINFHSA-N 0 1 323.374 2.754 20 10 DFCDMN C[C@@H](C(=O)NC1CC1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000131579213 524162873 /nfs/dbraw/zinc/16/28/73/524162873.db2.gz PZWIHTSFIYFLTH-HNNXBMFYSA-N 0 1 315.461 2.776 20 10 DFCDMN COc1ccc(F)cc1CNCc1cc(OC)c(OC)cc1O ZINC000189693294 524314793 /nfs/dbraw/zinc/31/47/93/524314793.db2.gz AOCFVHPGOQDAQS-UHFFFAOYSA-N 0 1 321.348 2.847 20 10 DFCDMN COc1ccc(N2CCN(C[C@H]3CC[C@H](C)O3)CC2)cc1F ZINC000190671956 524426857 /nfs/dbraw/zinc/42/68/57/524426857.db2.gz YEOXMFLDUHOIGK-DZGCQCFKSA-N 0 1 308.397 2.524 20 10 DFCDMN C[C@H](Cn1cccn1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226036643 524778190 /nfs/dbraw/zinc/77/81/90/524778190.db2.gz FWBIVXWRXNYYCJ-SNVBAGLBSA-N 0 1 310.195 2.530 20 10 DFCDMN CC[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C(C)(C)O ZINC000293001695 535805370 /nfs/dbraw/zinc/80/53/70/535805370.db2.gz NCIPIKZUUNFFQH-GFCCVEGCSA-N 0 1 302.212 2.794 20 10 DFCDMN C[N@@H+](CC(=O)[O-])Cc1c(O)ccc2cc(Br)ccc21 ZINC000739631476 597053480 /nfs/dbraw/zinc/05/34/80/597053480.db2.gz IGAGMHAAQOTODY-UHFFFAOYSA-N 0 1 324.174 2.824 20 10 DFCDMN O=C([O-])C[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1O ZINC000739794424 600315415 /nfs/dbraw/zinc/31/54/15/600315415.db2.gz ZSUOSHUSXOFMRW-UHFFFAOYSA-N 0 1 320.776 2.570 20 10 DFCDMN O=C([O-])C[N@H+](CCc1ccncc1)Cc1cc(Cl)ccc1O ZINC000739793156 600315616 /nfs/dbraw/zinc/31/56/16/600315616.db2.gz BELUCMBAZKBCHP-UHFFFAOYSA-N 0 1 320.776 2.570 20 10 DFCDMN C[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C[C@@H]1CCCO1 ZINC000737454224 600423015 /nfs/dbraw/zinc/42/30/15/600423015.db2.gz DWYGSQVNYJBBDO-ZDUSSCGKSA-N 0 1 315.369 2.854 20 10 DFCDMN CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000828664477 602217796 /nfs/dbraw/zinc/21/77/96/602217796.db2.gz AKRNFOFGSGYRGK-HNNXBMFYSA-N 0 1 313.781 2.981 20 10 DFCDMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000827889394 603918510 /nfs/dbraw/zinc/91/85/10/603918510.db2.gz GKQJWOFCRCKKKL-CYBMUJFWSA-N 0 1 300.358 2.730 20 10 DFCDMN C[C@H](C[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CC1)C(=O)[O-] ZINC000833516764 604544887 /nfs/dbraw/zinc/54/48/87/604544887.db2.gz VYLNQGBPVQZXPC-GFCCVEGCSA-N 0 1 303.402 2.956 20 10 DFCDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000833835297 605499170 /nfs/dbraw/zinc/49/91/70/605499170.db2.gz XJDDCSPGSBRYKP-CHWSQXEVSA-N 0 1 318.417 2.749 20 10 DFCDMN COc1ccc(O)c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000318087161 605547919 /nfs/dbraw/zinc/54/79/19/605547919.db2.gz MBLVUIRLWQCTGV-ZDUSSCGKSA-N 0 1 307.390 2.724 20 10 DFCDMN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000834110545 605563078 /nfs/dbraw/zinc/56/30/78/605563078.db2.gz XGWXXFVYGUMKBH-SWLSCSKDSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000834110545 605563079 /nfs/dbraw/zinc/56/30/79/605563079.db2.gz XGWXXFVYGUMKBH-SWLSCSKDSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])N[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000834191136 605570475 /nfs/dbraw/zinc/57/04/75/605570475.db2.gz ZIRLGJLPZZEEER-OAHLLOKOSA-N 0 1 303.406 2.519 20 10 DFCDMN Cn1cc(C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000093870193 398648793 /nfs/dbraw/zinc/64/87/93/398648793.db2.gz MYXFRKVGCVBGKJ-GFCCVEGCSA-N 0 1 305.809 2.844 20 10 DFCDMN Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000093870193 398648796 /nfs/dbraw/zinc/64/87/96/398648796.db2.gz MYXFRKVGCVBGKJ-GFCCVEGCSA-N 0 1 305.809 2.844 20 10 DFCDMN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC000272234565 130010760 /nfs/dbraw/zinc/01/07/60/130010760.db2.gz FJUFNJCMNZAGMV-CQSZACIVSA-N 0 1 318.396 2.652 20 10 DFCDMN C[C@@H](NCc1nnc2n1CCC2)c1ccc2ccccc2c1O ZINC000273441908 130121909 /nfs/dbraw/zinc/12/19/09/130121909.db2.gz YVMWWUPOOSGWQC-GFCCVEGCSA-N 0 1 308.385 2.934 20 10 DFCDMN COc1cc(Cl)cc(CNCc2cn3c(n2)CCCC3)c1O ZINC000273770160 130164575 /nfs/dbraw/zinc/16/45/75/130164575.db2.gz QTPXXNIOKAGEGA-UHFFFAOYSA-N 0 1 321.808 2.877 20 10 DFCDMN COc1ccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)nn1 ZINC000283607879 131007648 /nfs/dbraw/zinc/00/76/48/131007648.db2.gz QWAGVBGVXJVGSM-UHFFFAOYSA-N 0 1 314.433 2.962 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCC1(O)CCC1 ZINC000284120727 131050896 /nfs/dbraw/zinc/05/08/96/131050896.db2.gz TXIZRHJLXRLVOG-UHFFFAOYSA-N 0 1 300.196 2.549 20 10 DFCDMN CCCOc1ccc(CN2C[C@H](COC)OC(C)(C)C2)c(O)c1 ZINC000284571673 131093564 /nfs/dbraw/zinc/09/35/64/131093564.db2.gz OGPVPVRGWLYICL-MRXNPFEDSA-N 0 1 323.433 2.807 20 10 DFCDMN C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(Br)cc1[O-] ZINC000286988597 131259214 /nfs/dbraw/zinc/25/92/14/131259214.db2.gz JLZLYFGIUJYSDK-VHSXEESVSA-N 0 1 301.228 2.755 20 10 DFCDMN COCCC[N@@H+](Cc1ccncc1)Cc1cccc(F)c1[O-] ZINC000289495615 131390457 /nfs/dbraw/zinc/39/04/57/131390457.db2.gz SGWMYQFCSFPABR-UHFFFAOYSA-N 0 1 304.365 2.965 20 10 DFCDMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131037316 196134675 /nfs/dbraw/zinc/13/46/75/196134675.db2.gz WSYOWRGUROYKIP-CVJBHZAOSA-N 0 1 310.246 2.898 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CCO)c1[O-] ZINC000050132864 425881555 /nfs/dbraw/zinc/88/15/55/425881555.db2.gz QFTUNAZMSLIOFE-CQSZACIVSA-N 0 1 311.809 2.985 20 10 DFCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000125991739 425999332 /nfs/dbraw/zinc/99/93/32/425999332.db2.gz VQPZACDUXQTARO-LBPRGKRZSA-N 0 1 310.825 2.784 20 10 DFCDMN CCCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000125991739 425999334 /nfs/dbraw/zinc/99/93/34/425999334.db2.gz VQPZACDUXQTARO-LBPRGKRZSA-N 0 1 310.825 2.784 20 10 DFCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000125991739 425999338 /nfs/dbraw/zinc/99/93/38/425999338.db2.gz VQPZACDUXQTARO-LBPRGKRZSA-N 0 1 310.825 2.784 20 10 DFCDMN Cc1ccc(CNC(=O)CN(C)Cc2ccccc2O)cc1F ZINC000109773608 426032605 /nfs/dbraw/zinc/03/26/05/426032605.db2.gz NJEADJRFKXAPCW-UHFFFAOYSA-N 0 1 316.376 2.588 20 10 DFCDMN Cc1csc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000133805475 426183406 /nfs/dbraw/zinc/18/34/06/426183406.db2.gz NENZTBBYPZEXFR-UHFFFAOYSA-N 0 1 316.474 2.840 20 10 DFCDMN CC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000134264807 426186700 /nfs/dbraw/zinc/18/67/00/426186700.db2.gz GPMPGCDDDDQWMI-AWEZNQCLSA-N 0 1 322.836 2.926 20 10 DFCDMN CC[C@H]([NH2+][C@@H](C)CCO)c1cc(Br)ccc1[O-] ZINC000120628392 426313540 /nfs/dbraw/zinc/31/35/40/426313540.db2.gz JRRFQGDVYIFSSO-CABZTGNLSA-N 0 1 302.212 2.966 20 10 DFCDMN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000122008041 426356791 /nfs/dbraw/zinc/35/67/91/426356791.db2.gz CNXMMLGTFULWJK-MRXNPFEDSA-N 0 1 314.433 2.821 20 10 DFCDMN C[C@@H](C(=O)NCC1CCCCC1)N(C)Cc1ccccc1O ZINC000264610931 426575993 /nfs/dbraw/zinc/57/59/93/426575993.db2.gz NNVQBRMSUSBCIM-AWEZNQCLSA-N 0 1 304.434 2.909 20 10 DFCDMN C[C@@H]1CN(Cc2c(O)cccc2Cl)CC2(CCOCC2)O1 ZINC000280449008 426576946 /nfs/dbraw/zinc/57/69/46/426576946.db2.gz LELGJFOUJRCTOM-GFCCVEGCSA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC2(CCOCC2)O1 ZINC000280449008 426576949 /nfs/dbraw/zinc/57/69/49/426576949.db2.gz LELGJFOUJRCTOM-GFCCVEGCSA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC2(CCOCC2)O1 ZINC000280449008 426576954 /nfs/dbraw/zinc/57/69/54/426576954.db2.gz LELGJFOUJRCTOM-GFCCVEGCSA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226036630 426615718 /nfs/dbraw/zinc/61/57/18/426615718.db2.gz FWBIVXWRXNYYCJ-JTQLQIEISA-N 0 1 310.195 2.530 20 10 DFCDMN CC[C@@H](CCO)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000228779190 426634788 /nfs/dbraw/zinc/63/47/88/426634788.db2.gz MQYXJEHZJWBOSP-JTQLQIEISA-N 0 1 302.212 2.653 20 10 DFCDMN C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(Br)cc1[O-] ZINC000187680455 426684878 /nfs/dbraw/zinc/68/48/78/426684878.db2.gz PMUZILCAMUGSBK-HJIKLVIJSA-N 0 1 314.223 2.965 20 10 DFCDMN CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000290328000 426743042 /nfs/dbraw/zinc/74/30/42/426743042.db2.gz OTFBKNNWHPPQBK-SNVBAGLBSA-N 0 1 305.827 2.519 20 10 DFCDMN Oc1ccc(F)cc1CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281764728 426761947 /nfs/dbraw/zinc/76/19/47/426761947.db2.gz LSWZSKQTDORETA-HZPDHXFCSA-N 0 1 305.324 2.978 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000290591144 426799483 /nfs/dbraw/zinc/79/94/83/426799483.db2.gz VHMASZTYHNTMNZ-UHFFFAOYSA-N 0 1 304.768 2.818 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000290591144 426799486 /nfs/dbraw/zinc/79/94/86/426799486.db2.gz VHMASZTYHNTMNZ-UHFFFAOYSA-N 0 1 304.768 2.818 20 10 DFCDMN Oc1cccc(Cl)c1CN1CCCN(CC(F)F)CC1 ZINC000290591144 426799489 /nfs/dbraw/zinc/79/94/89/426799489.db2.gz VHMASZTYHNTMNZ-UHFFFAOYSA-N 0 1 304.768 2.818 20 10 DFCDMN CCCCN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179611189 426805534 /nfs/dbraw/zinc/80/55/34/426805534.db2.gz AAOZPOUYKWLOBR-KRWDZBQOSA-N 0 1 324.490 2.542 20 10 DFCDMN Cc1cc(CN2CCN(Cc3cccc(Cl)c3O)CC2)on1 ZINC000179633174 426807199 /nfs/dbraw/zinc/80/71/99/426807199.db2.gz YRHRHKYMEYKYPF-UHFFFAOYSA-N 0 1 321.808 2.660 20 10 DFCDMN COCCOC[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295248043 426875938 /nfs/dbraw/zinc/87/59/38/426875938.db2.gz FRQUSAJMACOSLH-NSHDSACASA-N 0 1 317.788 2.670 20 10 DFCDMN COc1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1C ZINC000282329851 426883924 /nfs/dbraw/zinc/88/39/24/426883924.db2.gz LNZMJMRUPIGLIG-LJQANCHMSA-N 0 1 313.397 2.764 20 10 DFCDMN CC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC(C)(C)C1 ZINC000291635446 426933526 /nfs/dbraw/zinc/93/35/26/426933526.db2.gz STZOPBGAWQVBIN-CYBMUJFWSA-N 0 1 307.390 2.900 20 10 DFCDMN NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269350143 427175733 /nfs/dbraw/zinc/17/57/33/427175733.db2.gz KBHVJVUPAQJXSA-MRXNPFEDSA-N 0 1 310.397 2.757 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000269835828 427285706 /nfs/dbraw/zinc/28/57/06/427285706.db2.gz ANYDYRGHIGBEBA-HAQNSBGRSA-N 0 1 300.196 2.548 20 10 DFCDMN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271080296 427399446 /nfs/dbraw/zinc/39/94/46/427399446.db2.gz QVFSLNKVGHYJMI-ZDUSSCGKSA-N 0 1 322.836 2.784 20 10 DFCDMN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271080296 427399451 /nfs/dbraw/zinc/39/94/51/427399451.db2.gz QVFSLNKVGHYJMI-ZDUSSCGKSA-N 0 1 322.836 2.784 20 10 DFCDMN Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278121573 427411742 /nfs/dbraw/zinc/41/17/42/427411742.db2.gz BAHXGVMBHWVKAW-FZMZJTMJSA-N 0 1 303.324 2.836 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCSCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278319766 427428683 /nfs/dbraw/zinc/42/86/83/427428683.db2.gz FZFZMKFATFOGOS-JTQLQIEISA-N 0 1 312.391 2.636 20 10 DFCDMN C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000184865955 427554452 /nfs/dbraw/zinc/55/44/52/427554452.db2.gz ICQABKRSJIEZIC-GFCCVEGCSA-N 0 1 312.841 2.807 20 10 DFCDMN C[C@@H]([NH2+]CCn1ccnc1)c1cc(Br)ccc1[O-] ZINC000184868315 427554940 /nfs/dbraw/zinc/55/49/40/427554940.db2.gz TVZNRSBWALKLLT-SNVBAGLBSA-N 0 1 310.195 2.702 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000294010151 427521265 /nfs/dbraw/zinc/52/12/65/427521265.db2.gz MVIZXPDFNPDBQI-ROUUACIJSA-N 0 1 303.402 2.934 20 10 DFCDMN CCOc1ccc(O)c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000294010151 427521270 /nfs/dbraw/zinc/52/12/70/427521270.db2.gz MVIZXPDFNPDBQI-ROUUACIJSA-N 0 1 303.402 2.934 20 10 DFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286423000 427521910 /nfs/dbraw/zinc/52/19/10/427521910.db2.gz IMVLYEXHPXHBCR-WADBZAEESA-N 0 1 319.376 2.589 20 10 DFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286423000 427521917 /nfs/dbraw/zinc/52/19/17/427521917.db2.gz IMVLYEXHPXHBCR-WADBZAEESA-N 0 1 319.376 2.589 20 10 DFCDMN C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000184865935 427555905 /nfs/dbraw/zinc/55/59/05/427555905.db2.gz ICQABKRSJIEZIC-LBPRGKRZSA-N 0 1 312.841 2.807 20 10 DFCDMN CCOc1cccc(CNCc2cn3c(n2)CCCC3)c1O ZINC000263767073 427563295 /nfs/dbraw/zinc/56/32/95/427563295.db2.gz JDJHLYOFSWAHKB-UHFFFAOYSA-N 0 1 301.390 2.614 20 10 DFCDMN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCOCC1 ZINC000184935309 427566369 /nfs/dbraw/zinc/56/63/69/427566369.db2.gz KWFGWTWZCPRMCQ-CABCVRRESA-N 0 1 314.429 2.917 20 10 DFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000294323324 427624007 /nfs/dbraw/zinc/62/40/07/427624007.db2.gz RBGLFUBZPLBSJC-NSHDSACASA-N 0 1 324.787 2.688 20 10 DFCDMN CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000192920442 427635899 /nfs/dbraw/zinc/63/58/99/427635899.db2.gz ZFNDWWVTPZTKKA-CYBMUJFWSA-N 0 1 300.402 2.968 20 10 DFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000294459528 427642920 /nfs/dbraw/zinc/64/29/20/427642920.db2.gz YUCVKHSYVHPSJF-JSGCOSHPSA-N 0 1 317.813 2.891 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(Br)cc1[O-] ZINC000185387040 427643208 /nfs/dbraw/zinc/64/32/08/427643208.db2.gz JCYAWWVVRREQKT-GXSJLCMTSA-N 0 1 300.196 2.984 20 10 DFCDMN CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185463838 427658507 /nfs/dbraw/zinc/65/85/07/427658507.db2.gz PSGPXOOCZMSWBS-RNCFNFMXSA-N 0 1 302.212 2.822 20 10 DFCDMN CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000294858318 427660441 /nfs/dbraw/zinc/66/04/41/427660441.db2.gz SVHFIBGKLPHZDL-LBPRGKRZSA-N 0 1 312.797 2.708 20 10 DFCDMN C[C@H](c1nccs1)N1CCN(Cc2ccccc2O)CC1 ZINC000185609265 427680133 /nfs/dbraw/zinc/68/01/33/427680133.db2.gz LOMAMOCEUYQBJH-CYBMUJFWSA-N 0 1 303.431 2.728 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1[O-] ZINC000295092089 427688409 /nfs/dbraw/zinc/68/84/09/427688409.db2.gz AENNBNIHUHVSJH-WQVCFCJDSA-N 0 1 307.365 2.637 20 10 DFCDMN CC(C)N(CC(=O)NC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000298739895 427692712 /nfs/dbraw/zinc/69/27/12/427692712.db2.gz WVCJDDMPXUFMCB-UHFFFAOYSA-N 0 1 305.466 2.878 20 10 DFCDMN CC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185800869 427708550 /nfs/dbraw/zinc/70/85/50/427708550.db2.gz RNIHNSONVDLNEH-KOLCDFICSA-N 0 1 302.212 2.966 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000186088722 427746491 /nfs/dbraw/zinc/74/64/91/427746491.db2.gz KKHKBISWXWRNKK-GXTWGEPZSA-N 0 1 310.397 2.959 20 10 DFCDMN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C2CC2)O1 ZINC000369527874 427989762 /nfs/dbraw/zinc/98/97/62/427989762.db2.gz POQBOBCTIZVDLK-DNVCBOLYSA-N 0 1 316.445 2.523 20 10 DFCDMN O=c1[nH]ccc2c1C[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000369593456 428009614 /nfs/dbraw/zinc/00/96/14/428009614.db2.gz GBTFBQNKTKNUGU-UHFFFAOYSA-N 0 1 308.740 2.844 20 10 DFCDMN COc1cc(O)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000372391451 428437329 /nfs/dbraw/zinc/43/73/29/428437329.db2.gz JNJXGGHXGGXHHL-CQSZACIVSA-N 0 1 321.417 2.658 20 10 DFCDMN COc1cc(O)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000372391450 428438251 /nfs/dbraw/zinc/43/82/51/428438251.db2.gz JNJXGGHXGGXHHL-AWEZNQCLSA-N 0 1 321.417 2.658 20 10 DFCDMN O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2[O-])CN1 ZINC000373217870 428522616 /nfs/dbraw/zinc/52/26/16/428522616.db2.gz SJSIXSOXMCJBGE-GXTWGEPZSA-N 0 1 308.809 2.536 20 10 DFCDMN C[C@H]1OCC[C@@]12CN(Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466384 428584043 /nfs/dbraw/zinc/58/40/43/428584043.db2.gz OIQJJNUUIZPHCU-MEBBXXQBSA-N 0 1 315.772 2.565 20 10 DFCDMN Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2[O-])n1 ZINC000361050406 428533792 /nfs/dbraw/zinc/53/37/92/428533792.db2.gz HCKCSEDXZOJSEB-HNNXBMFYSA-N 0 1 318.396 2.794 20 10 DFCDMN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]2CCC[C@H]2O1 ZINC000374251440 428670559 /nfs/dbraw/zinc/67/05/59/428670559.db2.gz XSTQRKMJTWECFV-TZMCWYRMSA-N 0 1 305.374 2.653 20 10 DFCDMN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[O-])CN1 ZINC000362336569 428709728 /nfs/dbraw/zinc/70/97/28/428709728.db2.gz PBEPFSGROKZZLQ-SMDDNHRTSA-N 0 1 308.809 2.536 20 10 DFCDMN O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[O-])CN1 ZINC000362336569 428709736 /nfs/dbraw/zinc/70/97/36/428709736.db2.gz PBEPFSGROKZZLQ-SMDDNHRTSA-N 0 1 308.809 2.536 20 10 DFCDMN Cc1cc(O)c(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1C ZINC000362613562 428794831 /nfs/dbraw/zinc/79/48/31/428794831.db2.gz CHAZWBRMGPFUHN-BPUTZDHNSA-N 0 1 302.418 2.627 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1[O-] ZINC000363868538 429132008 /nfs/dbraw/zinc/13/20/08/429132008.db2.gz NUSDANAMTSHTGH-YPMHNXCESA-N 0 1 320.824 2.709 20 10 DFCDMN C[C@@H]1OCC[C@@]12CN(Cc1cc(Cl)ccc1O)C[C@@H](C)O2 ZINC000365751448 429367360 /nfs/dbraw/zinc/36/73/60/429367360.db2.gz CETDPMYZDWRYQJ-BFQNTYOBSA-N 0 1 311.809 2.814 20 10 DFCDMN [O-]c1ccc2ccccc2c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000367423622 429643434 /nfs/dbraw/zinc/64/34/34/429643434.db2.gz VUEITQNNJRBXQS-HNAYVOBHSA-N 0 1 313.397 2.973 20 10 DFCDMN C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000367434912 429648893 /nfs/dbraw/zinc/64/88/93/429648893.db2.gz ABNARYRLWDMZCJ-UOWOHEGISA-N 0 1 308.809 2.753 20 10 DFCDMN CC[C@H]([NH2+]CC1COC1)c1cc(Br)ccc1[O-] ZINC000528029646 429838856 /nfs/dbraw/zinc/83/88/56/429838856.db2.gz ZWNCQDZSQVGXDZ-LBPRGKRZSA-N 0 1 300.196 2.842 20 10 DFCDMN 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[O-]c1ccc(Cl)cc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000377403324 337052044 /nfs/dbraw/zinc/05/20/44/337052044.db2.gz NLUMPRKWKXNMLD-CZUORRHYSA-N 0 1 305.761 2.630 20 10 DFCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000377550891 337055146 /nfs/dbraw/zinc/05/51/46/337055146.db2.gz SLMWGYVWUVYWAB-NUEKZKHPSA-N 0 1 302.418 2.834 20 10 DFCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000377550891 337055147 /nfs/dbraw/zinc/05/51/47/337055147.db2.gz SLMWGYVWUVYWAB-NUEKZKHPSA-N 0 1 302.418 2.834 20 10 DFCDMN CC[C@@H](c1ccccc1O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000377672050 337058124 /nfs/dbraw/zinc/05/81/24/337058124.db2.gz AOBHJNLDQDTSJN-AEGPPILISA-N 0 1 317.389 2.997 20 10 DFCDMN Oc1ccc(F)cc1C[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000360020967 337083972 /nfs/dbraw/zinc/08/39/72/337083972.db2.gz VLZNWJONPJHPTM-UHFFFAOYSA-N 0 1 319.355 2.778 20 10 DFCDMN CCOc1ccc(O)c(CNCc2nc(C)n3c2CCCC3)c1 ZINC000360054625 337084354 /nfs/dbraw/zinc/08/43/54/337084354.db2.gz 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ZINC000156849092 521286307 /nfs/dbraw/zinc/28/63/07/521286307.db2.gz HOGBONWNXBCJQM-UHFFFAOYSA-N 0 1 317.458 2.935 20 10 DFCDMN COC(=O)C1(N(C)Cc2cc(OC)ccc2O)CCCCC1 ZINC000180208871 522837231 /nfs/dbraw/zinc/83/72/31/522837231.db2.gz HAWBCKAZPQSGOI-UHFFFAOYSA-N 0 1 307.390 2.709 20 10 DFCDMN CCn1cc([C@H]2CN(Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000191703029 523482791 /nfs/dbraw/zinc/48/27/91/523482791.db2.gz UVPLLDOMJAWHOH-OAHLLOKOSA-N 0 1 321.808 2.836 20 10 DFCDMN Cc1cc(Cl)cc(CN(CCO)Cc2cccnc2)c1O ZINC000180052117 524861456 /nfs/dbraw/zinc/86/14/56/524861456.db2.gz PCMIFUYUSWOANX-UHFFFAOYSA-N 0 1 306.793 2.744 20 10 DFCDMN Cc1cc(O)c(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1C ZINC000365147521 525318600 /nfs/dbraw/zinc/31/86/00/525318600.db2.gz CDMQHXLQWJWHAG-JKSUJKDBSA-N 0 1 303.402 2.579 20 10 DFCDMN C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000367434911 525602507 /nfs/dbraw/zinc/60/25/07/525602507.db2.gz ABNARYRLWDMZCJ-LUFJJVMOSA-N 0 1 308.809 2.753 20 10 DFCDMN 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SUJWWXMIDGVFDV-KRWDZBQOSA-N 0 1 309.381 2.997 20 10 DFCDMN COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000832504726 601814525 /nfs/dbraw/zinc/81/45/25/601814525.db2.gz VDZMJVRWOLDJHE-IAQYHMDHSA-N 0 1 315.369 2.707 20 10 DFCDMN COc1ccc2ccc(O)c(C[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)c2c1 ZINC000832504727 601814544 /nfs/dbraw/zinc/81/45/44/601814544.db2.gz VDZMJVRWOLDJHE-NHYWBVRUSA-N 0 1 315.369 2.707 20 10 DFCDMN CCCN(CCC)c1ccc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000833650800 604630410 /nfs/dbraw/zinc/63/04/10/604630410.db2.gz BKSVASXVRFQGBO-KRWDZBQOSA-N 0 1 320.433 2.598 20 10 DFCDMN CCCN(CCC)c1ccc(C[N@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000833650800 604630416 /nfs/dbraw/zinc/63/04/16/604630416.db2.gz BKSVASXVRFQGBO-KRWDZBQOSA-N 0 1 320.433 2.598 20 10 DFCDMN C[C@@H]1CCOCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833616984 605043024 /nfs/dbraw/zinc/04/30/24/605043024.db2.gz LPFCJBNBPBWZKN-GFCCVEGCSA-N 0 1 315.369 2.854 20 10 DFCDMN 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CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000374354398 428677554 /nfs/dbraw/zinc/67/75/54/428677554.db2.gz FBWUFSLLTJSRRX-AWEZNQCLSA-N 0 1 321.392 2.982 20 10 DFCDMN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)ccc1O ZINC000362614151 428794933 /nfs/dbraw/zinc/79/49/33/428794933.db2.gz DSSMRVAAXQFCDP-HONMWMINSA-N 0 1 308.809 2.664 20 10 DFCDMN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000362614151 428794940 /nfs/dbraw/zinc/79/49/40/428794940.db2.gz DSSMRVAAXQFCDP-HONMWMINSA-N 0 1 308.809 2.664 20 10 DFCDMN CN1CCc2cc(CNCc3csc([N+](=O)[O-])c3)ccc21 ZINC000364441698 429204633 /nfs/dbraw/zinc/20/46/33/429204633.db2.gz FRLZQZDACBSRLB-UHFFFAOYSA-N 0 1 303.387 2.938 20 10 DFCDMN COC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000365800973 429375890 /nfs/dbraw/zinc/37/58/90/429375890.db2.gz ZQQFRJUMFKCIFH-LBPRGKRZSA-N 0 1 324.377 2.558 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@]23CCOC3)c1[O-] ZINC000367047364 429565249 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C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@]2(CCCOC2)O1 ZINC000366463083 300270644 /nfs/dbraw/zinc/27/06/44/300270644.db2.gz NVATURXSMPEAHV-LRDDRELGSA-N 0 1 311.809 2.816 20 10 DFCDMN COc1ccc(N2CCN(CCc3cccnc3)CC2)cc1F ZINC000177713068 333131753 /nfs/dbraw/zinc/13/17/53/333131753.db2.gz ZMQBLDKMXMGVHR-UHFFFAOYSA-N 0 1 315.392 2.594 20 10 DFCDMN CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185389935 333208018 /nfs/dbraw/zinc/20/80/18/333208018.db2.gz ZHXISQRNUNGGJL-NOZJJQNGSA-N 0 1 302.212 2.966 20 10 DFCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@@H]1COc2ccccc2O1 ZINC000272340851 334033742 /nfs/dbraw/zinc/03/37/42/334033742.db2.gz YORQAPABHNEXCT-CYBMUJFWSA-N 0 1 303.333 2.803 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]([C@@H](C)CO)C2CCCC2)c1[O-] ZINC000276478689 334079383 /nfs/dbraw/zinc/07/93/83/334079383.db2.gz RPERUSSXRFENCB-NSHDSACASA-N 0 1 309.381 2.859 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]([C@@H](C)CO)C2CCCC2)c1[O-] ZINC000276478689 334079384 /nfs/dbraw/zinc/07/93/84/334079384.db2.gz 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CC(=O)c1cc(F)cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1[O-] ZINC000293191386 427240046 /nfs/dbraw/zinc/24/00/46/427240046.db2.gz QGOMKYKYCYWOOO-MRXNPFEDSA-N 0 1 309.381 2.981 20 10 DFCDMN Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278121575 427410136 /nfs/dbraw/zinc/41/01/36/427410136.db2.gz BAHXGVMBHWVKAW-RISCZKNCSA-N 0 1 303.324 2.836 20 10 DFCDMN Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278121570 427411157 /nfs/dbraw/zinc/41/11/57/427411157.db2.gz BAHXGVMBHWVKAW-BXUZGUMPSA-N 0 1 303.324 2.836 20 10 DFCDMN COc1cc(O)c(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1OC ZINC000293887648 427477649 /nfs/dbraw/zinc/47/76/49/427477649.db2.gz DNJGTMSHAZUBTL-QGZVFWFLSA-N 0 1 309.406 2.656 20 10 DFCDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(Cl)c1[O-] ZINC000278676377 427445894 /nfs/dbraw/zinc/44/58/94/427445894.db2.gz NPYNYZOBDWFXDX-CYBMUJFWSA-N 0 1 324.852 2.731 20 10 DFCDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cn[nH]c1 ZINC000271537153 427576237 /nfs/dbraw/zinc/57/62/37/427576237.db2.gz QJPLXWNDCAEKFT-CHWSQXEVSA-N 0 1 318.396 2.797 20 10 DFCDMN CCN(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185167690 427605635 /nfs/dbraw/zinc/60/56/35/427605635.db2.gz VKXICSQJNRFAQK-JTQLQIEISA-N 0 1 301.228 2.757 20 10 DFCDMN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000185317283 427633697 /nfs/dbraw/zinc/63/36/97/427633697.db2.gz DDHNAHVUHRPPPR-JOYOIKCWSA-N 0 1 306.797 2.611 20 10 DFCDMN C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(Br)cc1[O-] ZINC000185387053 427642153 /nfs/dbraw/zinc/64/21/53/427642153.db2.gz JCYAWWVVRREQKT-MWLCHTKSSA-N 0 1 300.196 2.984 20 10 DFCDMN CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185389055 427646118 /nfs/dbraw/zinc/64/61/18/427646118.db2.gz BYRJZESWGYLXFO-NOZJJQNGSA-N 0 1 302.212 2.966 20 10 DFCDMN C[C@@H]1OCC[C@]12CN(Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733569 427647205 /nfs/dbraw/zinc/64/72/05/427647205.db2.gz QGCCYSAPTLTSHG-BONVTDFDSA-N 0 1 315.772 2.565 20 10 DFCDMN C[C@@H]([NH2+]CC1(C)COC1)c1ccc(Br)cc1[O-] ZINC000185441965 427655122 /nfs/dbraw/zinc/65/51/22/427655122.db2.gz PMCRQKNDWGPFFO-SECBINFHSA-N 0 1 300.196 2.842 20 10 DFCDMN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(C)ccc1O ZINC000185774736 427703945 /nfs/dbraw/zinc/70/39/45/427703945.db2.gz SBTCEWWJUPHPKN-JSGCOSHPSA-N 0 1 316.405 2.624 20 10 DFCDMN CCCOc1ccc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000279615281 427712798 /nfs/dbraw/zinc/71/27/98/427712798.db2.gz GCPPEIVLPKDBEG-KDOFPFPSSA-N 0 1 321.417 2.561 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000279831180 427719958 /nfs/dbraw/zinc/71/99/58/427719958.db2.gz QZSOFEMPXKRLJX-IAQYHMDHSA-N 0 1 309.381 2.859 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2ccccc2c1[O-] ZINC000185994013 427739840 /nfs/dbraw/zinc/73/98/40/427739840.db2.gz JHWJVZSMCOUNCC-OCCSQVGLSA-N 0 1 308.385 2.803 20 10 DFCDMN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186029701 427742431 /nfs/dbraw/zinc/74/24/31/427742431.db2.gz SVXXEAKVIDGOOM-ZJUUUORDSA-N 0 1 305.827 2.519 20 10 DFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2ccc[nH]c1-2 ZINC000346368059 428143026 /nfs/dbraw/zinc/14/30/26/428143026.db2.gz AAXIDGAJCWJOCE-UHFFFAOYSA-N 0 1 322.368 2.668 20 10 DFCDMN Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])n1 ZINC000371423851 428388650 /nfs/dbraw/zinc/38/86/50/428388650.db2.gz DXMAAQNVKAHQFW-CQSZACIVSA-N 0 1 320.824 2.919 20 10 DFCDMN C[C@H]([NH2+]C[C@H]1CCC[C@H]1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000371870624 428406948 /nfs/dbraw/zinc/40/69/48/428406948.db2.gz RLCIZVKJGDXTAT-JJRVBVJISA-N 0 1 322.424 2.683 20 10 DFCDMN O=C(N[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000371338092 428382987 /nfs/dbraw/zinc/38/29/87/428382987.db2.gz YLKMARNPCVRNPX-CQSZACIVSA-N 0 1 308.809 2.536 20 10 DFCDMN O=C(N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000371338092 428382992 /nfs/dbraw/zinc/38/29/92/428382992.db2.gz YLKMARNPCVRNPX-CQSZACIVSA-N 0 1 308.809 2.536 20 10 DFCDMN O=C(N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000371338092 428383000 /nfs/dbraw/zinc/38/30/00/428383000.db2.gz YLKMARNPCVRNPX-CQSZACIVSA-N 0 1 308.809 2.536 20 10 DFCDMN CCOc1cccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372900574 428505037 /nfs/dbraw/zinc/50/50/37/428505037.db2.gz AMUMLOIQXDAOGF-MRXNPFEDSA-N 0 1 324.384 2.788 20 10 DFCDMN C[C@@H]1C[C@]2(CCO1)CN(Cc1cc(F)ccc1O)C[C@H](C)O2 ZINC000373979274 428656487 /nfs/dbraw/zinc/65/64/87/428656487.db2.gz WDZFPLGGDDAATK-IIYDPXPESA-N 0 1 309.381 2.690 20 10 DFCDMN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)ccc1O ZINC000362614150 428794162 /nfs/dbraw/zinc/79/41/62/428794162.db2.gz DSSMRVAAXQFCDP-GDLCADMTSA-N 0 1 308.809 2.664 20 10 DFCDMN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000362614150 428794170 /nfs/dbraw/zinc/79/41/70/428794170.db2.gz DSSMRVAAXQFCDP-GDLCADMTSA-N 0 1 308.809 2.664 20 10 DFCDMN C[C@@H]1Oc2c(cccc2F)[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000363532144 428937894 /nfs/dbraw/zinc/93/78/94/428937894.db2.gz GISBDODLDBHNRX-FVMDXXJSSA-N 0 1 317.316 2.872 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000290088512 275060516 /nfs/dbraw/zinc/06/05/16/275060516.db2.gz GVQGZFIEKOPSOO-UHFFFAOYSA-N 0 1 301.317 2.905 20 10 DFCDMN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC000364447936 429205371 /nfs/dbraw/zinc/20/53/71/429205371.db2.gz LPQMSVKQJXISQD-GOSISDBHSA-N 0 1 312.344 2.627 20 10 DFCDMN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000366757028 429509093 /nfs/dbraw/zinc/50/90/93/429509093.db2.gz KNMZCRUFHAPIOR-HNNXBMFYSA-N 0 1 313.401 2.974 20 10 DFCDMN CCOC[C@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000530103946 430098390 /nfs/dbraw/zinc/09/83/90/430098390.db2.gz ACCRJPYSSLGRBB-QGZVFWFLSA-N 0 1 305.418 2.508 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c1O ZINC000530179962 430100615 /nfs/dbraw/zinc/10/06/15/430100615.db2.gz OZNQCBHKRCLUGT-PEGIJTEDSA-N 0 1 323.364 2.808 20 10 DFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Cl)c1 ZINC000529685227 430051114 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[O-]c1ccc(Cl)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000377403319 337052000 /nfs/dbraw/zinc/05/20/00/337052000.db2.gz NLUMPRKWKXNMLD-BBRMVZONSA-N 0 1 305.761 2.630 20 10 DFCDMN CN(C)c1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1F ZINC000378369923 337071094 /nfs/dbraw/zinc/07/10/94/337071094.db2.gz MFECKDLMWYLZLI-HOTGVXAUSA-N 0 1 310.438 2.598 20 10 DFCDMN C[C@H]1c2cccn2CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000179565850 337170287 /nfs/dbraw/zinc/17/02/87/337170287.db2.gz LAFWYLLOLGVYRS-INIZCTEOSA-N 0 1 311.429 2.902 20 10 DFCDMN COc1cccc(CNc2cnccc2-n2cc(C)cn2)c1O ZINC000182669327 337189425 /nfs/dbraw/zinc/18/94/25/337189425.db2.gz VDOLJPMWBNHBFV-UHFFFAOYSA-N 0 1 310.357 2.902 20 10 DFCDMN Cc1ccc([C@H](C)NCc2nnc3n2CCCCC3)c(O)c1 ZINC000184878148 337200693 /nfs/dbraw/zinc/20/06/93/337200693.db2.gz LJQAXNMIVPBGEX-ZDUSSCGKSA-N 0 1 300.406 2.869 20 10 DFCDMN C[C@@H](CO)CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000230158061 337269941 /nfs/dbraw/zinc/26/99/41/337269941.db2.gz VPJXUXUJDAITTE-SNVBAGLBSA-N 0 1 302.212 2.653 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189979872 337284232 /nfs/dbraw/zinc/28/42/32/337284232.db2.gz DXTSCFRLNPGMJL-UHFFFAOYSA-N 0 1 306.797 2.549 20 10 DFCDMN Cc1nc2n(n1)CCC[C@@H]2NCc1c(O)ccc(Cl)c1F ZINC000191297683 337295516 /nfs/dbraw/zinc/29/55/16/337295516.db2.gz NCQLWIZWTUZGMK-NSHDSACASA-N 0 1 310.760 2.709 20 10 DFCDMN Cn1cnnc1[C@@H]1CCCN1Cc1c(O)ccc(Cl)c1F ZINC000191422221 337296852 /nfs/dbraw/zinc/29/68/52/337296852.db2.gz WMPWTSZGQHAESH-NSHDSACASA-N 0 1 310.760 2.650 20 10 DFCDMN Cn1cnnc1[C@H]1CCCN1Cc1c(O)ccc(Cl)c1F ZINC000191422235 337296884 /nfs/dbraw/zinc/29/68/84/337296884.db2.gz WMPWTSZGQHAESH-LLVKDONJSA-N 0 1 310.760 2.650 20 10 DFCDMN CC(C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435641334 338244061 /nfs/dbraw/zinc/24/40/61/338244061.db2.gz IJVOQNKPTCQOHK-UHFFFAOYSA-N 0 1 313.445 2.932 20 10 DFCDMN CC[N@H+](CCn1ccnc1)Cc1cc(Br)ccc1[O-] ZINC000131544729 521185133 /nfs/dbraw/zinc/18/51/33/521185133.db2.gz GAACWVQUMPRTMS-UHFFFAOYSA-N 0 1 324.222 2.873 20 10 DFCDMN CC[N@@H+](CCn1ccnc1)Cc1cc(Br)ccc1[O-] ZINC000131544729 521185145 /nfs/dbraw/zinc/18/51/45/521185145.db2.gz GAACWVQUMPRTMS-UHFFFAOYSA-N 0 1 324.222 2.873 20 10 DFCDMN CC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000191423702 521882493 /nfs/dbraw/zinc/88/24/93/521882493.db2.gz ZLINEEXVSDEEPQ-NSHDSACASA-N 0 1 316.195 2.840 20 10 DFCDMN CCOc1ccc(O)c(CN(CC)C[C@@H](O)C(F)(F)F)c1 ZINC000189878054 521144892 /nfs/dbraw/zinc/14/48/92/521144892.db2.gz PTVVNIPFDSNELB-CYBMUJFWSA-N 0 1 307.312 2.536 20 10 DFCDMN CN(CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1O ZINC000264735781 522422512 /nfs/dbraw/zinc/42/25/12/522422512.db2.gz SGBKRIQYWRVTNK-UHFFFAOYSA-N 0 1 302.418 2.758 20 10 DFCDMN CO[C@@H](C)c1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000267619950 523471418 /nfs/dbraw/zinc/47/14/18/523471418.db2.gz KOMCQBJMSAJCSE-VIFPVBQESA-N 0 1 323.374 2.754 20 10 DFCDMN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000228099449 524089428 /nfs/dbraw/zinc/08/94/28/524089428.db2.gz 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20 10 DFCDMN CNC(=O)[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000154778099 277250635 /nfs/dbraw/zinc/25/06/35/277250635.db2.gz AHYDDMIVTIXCEV-GOSISDBHSA-N 0 1 315.461 2.777 20 10 DFCDMN C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000192933787 277619576 /nfs/dbraw/zinc/61/95/76/277619576.db2.gz MMRXZJRKAFIFAK-OAHLLOKOSA-N 0 1 314.429 2.918 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@]2(CCCOC2)O1 ZINC000366463085 297031862 /nfs/dbraw/zinc/03/18/62/297031862.db2.gz NVATURXSMPEAHV-WBMJQRKESA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1 ZINC000179396209 300269375 /nfs/dbraw/zinc/26/93/75/300269375.db2.gz JEKDEPUQGLDDNW-VIFPVBQESA-N 0 1 300.742 2.565 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000318753949 333207137 /nfs/dbraw/zinc/20/71/37/333207137.db2.gz BCYOHJZTLGSZRB-UHFFFAOYSA-N 0 1 307.365 2.736 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000318753949 333207138 /nfs/dbraw/zinc/20/71/38/333207138.db2.gz BCYOHJZTLGSZRB-UHFFFAOYSA-N 0 1 307.365 2.736 20 10 DFCDMN C[C@H](CCCO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185688074 333211832 /nfs/dbraw/zinc/21/18/32/333211832.db2.gz OODFTXXZOBRGIV-ZJUUUORDSA-N 0 1 302.212 2.966 20 10 DFCDMN C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185689750 333211928 /nfs/dbraw/zinc/21/19/28/333211928.db2.gz HHXIIFLNYUHBFR-UWVGGRQHSA-N 0 1 302.212 2.966 20 10 DFCDMN CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCNC(=O)CC1 ZINC000295417201 335133967 /nfs/dbraw/zinc/13/39/67/335133967.db2.gz TWSUTTSZTZFVDC-OAHLLOKOSA-N 0 1 304.434 2.911 20 10 DFCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCNC(=O)CC1 ZINC000295417201 335133969 /nfs/dbraw/zinc/13/39/69/335133969.db2.gz TWSUTTSZTZFVDC-OAHLLOKOSA-N 0 1 304.434 2.911 20 10 DFCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCNC(=O)CC1 ZINC000295417201 335133970 /nfs/dbraw/zinc/13/39/70/335133970.db2.gz TWSUTTSZTZFVDC-OAHLLOKOSA-N 0 1 304.434 2.911 20 10 DFCDMN CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCNC(=O)CC1 ZINC000295417197 335134146 /nfs/dbraw/zinc/13/41/46/335134146.db2.gz TWSUTTSZTZFVDC-HNNXBMFYSA-N 0 1 304.434 2.911 20 10 DFCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCNC(=O)CC1 ZINC000295417197 335134148 /nfs/dbraw/zinc/13/41/48/335134148.db2.gz TWSUTTSZTZFVDC-HNNXBMFYSA-N 0 1 304.434 2.911 20 10 DFCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCNC(=O)CC1 ZINC000295417197 335134150 /nfs/dbraw/zinc/13/41/50/335134150.db2.gz TWSUTTSZTZFVDC-HNNXBMFYSA-N 0 1 304.434 2.911 20 10 DFCDMN COc1c(CNCc2c(C)c3ccccc3n2C)c(C)nn1C ZINC000355113007 336495052 /nfs/dbraw/zinc/49/50/52/336495052.db2.gz IYSKHNBUDUUPNU-UHFFFAOYSA-N 0 1 312.417 2.827 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000376441109 337033465 /nfs/dbraw/zinc/03/34/65/337033465.db2.gz ITPTZICYBITODZ-RHSMWYFYSA-N 0 1 309.381 2.691 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1[O-] ZINC000376495425 337035034 /nfs/dbraw/zinc/03/50/34/337035034.db2.gz OBMLEVQSVGNFTO-LRDDRELGSA-N 0 1 322.836 2.774 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1[O-] ZINC000376495425 337035035 /nfs/dbraw/zinc/03/50/35/337035035.db2.gz OBMLEVQSVGNFTO-LRDDRELGSA-N 0 1 322.836 2.774 20 10 DFCDMN CC[C@@H](c1ccccc1O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000377659822 337057852 /nfs/dbraw/zinc/05/78/52/337057852.db2.gz QQUQRDHFYXLCFA-FUHWJXTLSA-N 0 1 310.397 2.928 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000377694845 337058839 /nfs/dbraw/zinc/05/88/39/337058839.db2.gz FLVLWYSELTUYBN-KBPBESRZSA-N 0 1 307.390 2.801 20 10 DFCDMN C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227437327 337205191 /nfs/dbraw/zinc/20/51/91/337205191.db2.gz JGOJTMJBMNGPRS-JTQLQIEISA-N 0 1 310.195 2.530 20 10 DFCDMN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C)cc1O ZINC000185775709 337251210 /nfs/dbraw/zinc/25/12/10/337251210.db2.gz BOCNWAHSKZLNBY-JSGCOSHPSA-N 0 1 316.405 2.624 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000238063175 340675693 /nfs/dbraw/zinc/67/56/93/340675693.db2.gz JABDKPRRENFUMO-UHFFFAOYSA-N 0 1 318.808 2.594 20 10 DFCDMN CCN(Cc1cnc2cnccn12)Cc1ccc(N(C)C)cc1 ZINC000156838616 521435204 /nfs/dbraw/zinc/43/52/04/521435204.db2.gz PGDTWLSQXAGKOO-UHFFFAOYSA-N 0 1 309.417 2.817 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@@H]2c2cnn(C)c2)cc1F ZINC000131863168 522176232 /nfs/dbraw/zinc/17/62/32/522176232.db2.gz MWQURMHITYYCJR-MRXNPFEDSA-N 0 1 302.397 2.962 20 10 DFCDMN CC[C@H]([NH2+][C@H](C)CCO)c1cc(Br)ccc1[O-] ZINC000120628691 522734115 /nfs/dbraw/zinc/73/41/15/522734115.db2.gz JRRFQGDVYIFSSO-SKDRFNHKSA-N 0 1 302.212 2.966 20 10 DFCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCCO1 ZINC000128024262 523172707 /nfs/dbraw/zinc/17/27/07/523172707.db2.gz NZQPEYFBKVSUKK-LLVKDONJSA-N 0 1 300.742 2.565 20 10 DFCDMN CC[C@H]1CN(Cc2cc(OC)ccc2O)CCN1CC(F)F ZINC000180543288 523289869 /nfs/dbraw/zinc/28/98/69/523289869.db2.gz INOOXUOTVWVTKG-ZDUSSCGKSA-N 0 1 314.376 2.562 20 10 DFCDMN C[C@]1(O)CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000129397321 525306749 /nfs/dbraw/zinc/30/67/49/525306749.db2.gz ZEJMZTXZZMZRPK-ZDUSSCGKSA-N 0 1 300.196 2.502 20 10 DFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000129397321 525306753 /nfs/dbraw/zinc/30/67/53/525306753.db2.gz ZEJMZTXZZMZRPK-ZDUSSCGKSA-N 0 1 300.196 2.502 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(Br)cc1[O-] ZINC000189322035 525485819 /nfs/dbraw/zinc/48/58/19/525485819.db2.gz VXNBFVKLCMMWKZ-FOGDFJRCSA-N 0 1 314.223 2.966 20 10 DFCDMN [O-]c1c(Cl)cc(Cl)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179952564 526325070 /nfs/dbraw/zinc/32/50/70/526325070.db2.gz DTTRNRITZFHGJQ-GFCCVEGCSA-N 0 1 301.217 2.979 20 10 DFCDMN Cn1cc([C@H]2CN(Cc3c(O)ccc4ccccc43)CCO2)cn1 ZINC000267599312 527320833 /nfs/dbraw/zinc/32/08/33/527320833.db2.gz MNNJVQYGWRYOSF-LJQANCHMSA-N 0 1 323.396 2.852 20 10 DFCDMN CCN(CC)c1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000289365661 535685511 /nfs/dbraw/zinc/68/55/11/535685511.db2.gz KUKKWLBMMWWGRQ-IBGZPJMESA-N 0 1 318.461 2.914 20 10 DFCDMN C[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C[C@H]1CCCO1 ZINC000737454223 600422967 /nfs/dbraw/zinc/42/29/67/600422967.db2.gz DWYGSQVNYJBBDO-CYBMUJFWSA-N 0 1 315.369 2.854 20 10 DFCDMN C[C@@H](C[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CC1)C(=O)[O-] ZINC000833516765 604544908 /nfs/dbraw/zinc/54/49/08/604544908.db2.gz VYLNQGBPVQZXPC-LBPRGKRZSA-N 0 1 303.402 2.956 20 10 DFCDMN COc1cccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1O ZINC000317195089 604677705 /nfs/dbraw/zinc/67/77/05/604677705.db2.gz UHZOYLAJCNOXFE-UBHSHLNASA-N 0 1 305.374 2.619 20 10 DFCDMN O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000834110651 605563067 /nfs/dbraw/zinc/56/30/67/605563067.db2.gz XLWCDPOPWQFRTR-WFASDCNBSA-N 0 1 322.380 2.886 20 10 DFCDMN [O-]c1c(F)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000272373234 130023584 /nfs/dbraw/zinc/02/35/84/130023584.db2.gz GXOQCVVMBLJWAW-SUMWQHHRSA-N 0 1 304.409 2.980 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000272373234 130023587 /nfs/dbraw/zinc/02/35/87/130023587.db2.gz GXOQCVVMBLJWAW-SUMWQHHRSA-N 0 1 304.409 2.980 20 10 DFCDMN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2cncn2c1 ZINC000285270719 131153095 /nfs/dbraw/zinc/15/30/95/131153095.db2.gz MQWPSKQSWKYDBB-UHFFFAOYSA-N 0 1 321.380 2.849 20 10 DFCDMN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000287178830 131267229 /nfs/dbraw/zinc/26/72/29/131267229.db2.gz VCDZQRAGAYSXIL-UWVGGRQHSA-N 0 1 301.228 2.755 20 10 DFCDMN C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1[O-] ZINC000287214184 131268918 /nfs/dbraw/zinc/26/89/18/131268918.db2.gz XBTHMVTZRKCNMW-GHMZBOCLSA-N 0 1 317.838 2.521 20 10 DFCDMN C[C@@H](O)c1ncc(CNCc2ccc(N(C)C)c(F)c2)s1 ZINC000289058574 131355314 /nfs/dbraw/zinc/35/53/14/131355314.db2.gz BUBMBNVMENTUAS-SNVBAGLBSA-N 0 1 309.410 2.691 20 10 DFCDMN CC(C)[C@H](CCO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000230689638 542892594 /nfs/dbraw/zinc/89/25/94/542892594.db2.gz IMKXDHKWLUAIDO-LBPRGKRZSA-N 0 1 302.212 2.651 20 10 DFCDMN C[C@H](C(=O)NCc1cccs1)N(C)Cc1ccccc1O ZINC000109769208 426033383 /nfs/dbraw/zinc/03/33/83/426033383.db2.gz BUKYYFTYEDAKCK-GFCCVEGCSA-N 0 1 304.415 2.590 20 10 DFCDMN CC(C)NC(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133378690 426174686 /nfs/dbraw/zinc/17/46/86/426174686.db2.gz YVUORLQOCAODIZ-UHFFFAOYSA-N 0 1 305.205 2.655 20 10 DFCDMN CC[C@@H]([NH2+]CC[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000085981945 426255356 /nfs/dbraw/zinc/25/53/56/426255356.db2.gz NCWOTFGSODOGFL-JOYOIKCWSA-N 0 1 302.212 2.966 20 10 DFCDMN CN(Cc1cnn(C)c1)Cc1cc(Br)ccc1O ZINC000119659794 426301318 /nfs/dbraw/zinc/30/13/18/426301318.db2.gz NGJOBDBJHVUKKQ-UHFFFAOYSA-N 0 1 310.195 2.520 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CCC2CCOCC2)c1[O-] ZINC000120728436 426315606 /nfs/dbraw/zinc/31/56/06/426315606.db2.gz ADRLZAIJAXVARO-UHFFFAOYSA-N 0 1 309.381 2.982 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000093150291 426354271 /nfs/dbraw/zinc/35/42/71/426354271.db2.gz FGJNBPPPDBAPNZ-UHFFFAOYSA-N 0 1 318.808 2.548 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000093150291 426354273 /nfs/dbraw/zinc/35/42/73/426354273.db2.gz FGJNBPPPDBAPNZ-UHFFFAOYSA-N 0 1 318.808 2.548 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCOC3(CCC3)C2)c1[O-] ZINC000093640129 426357441 /nfs/dbraw/zinc/35/74/41/426357441.db2.gz XZAOOHOGMIVKDV-UHFFFAOYSA-N 0 1 312.753 2.709 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCOC3(CCC3)C2)c1[O-] ZINC000093640129 426357444 /nfs/dbraw/zinc/35/74/44/426357444.db2.gz XZAOOHOGMIVKDV-UHFFFAOYSA-N 0 1 312.753 2.709 20 10 DFCDMN CCOc1cccc(CN(CC(=O)OC)C2CCCC2)c1O ZINC000093707426 426357577 /nfs/dbraw/zinc/35/75/77/426357577.db2.gz LHAZTUHMKRCAEP-UHFFFAOYSA-N 0 1 307.390 2.709 20 10 DFCDMN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093899193 426360035 /nfs/dbraw/zinc/36/00/35/426360035.db2.gz JCPLHKXDHXWJAQ-QMMMGPOBSA-N 0 1 305.205 2.513 20 10 DFCDMN Cc1cccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154937719 426459992 /nfs/dbraw/zinc/45/99/92/426459992.db2.gz LUSVTWOHRZOPGW-MRXNPFEDSA-N 0 1 319.426 2.576 20 10 DFCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280186912 426517480 /nfs/dbraw/zinc/51/74/80/426517480.db2.gz HCMKSQUANVZCSD-MRXNPFEDSA-N 0 1 311.809 2.816 20 10 DFCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280186912 426517485 /nfs/dbraw/zinc/51/74/85/426517485.db2.gz HCMKSQUANVZCSD-MRXNPFEDSA-N 0 1 311.809 2.816 20 10 DFCDMN CC1(C)CN(Cc2c(O)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280186912 426517487 /nfs/dbraw/zinc/51/74/87/426517487.db2.gz HCMKSQUANVZCSD-MRXNPFEDSA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@@H]([NH2+]CC1(C)OCCO1)c1cc(Br)ccc1[O-] ZINC000186211402 426493954 /nfs/dbraw/zinc/49/39/54/426493954.db2.gz OQYFQUMBWAQYMG-SECBINFHSA-N 0 1 316.195 2.568 20 10 DFCDMN CC[C@H](CCO)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000228779202 426635101 /nfs/dbraw/zinc/63/51/01/426635101.db2.gz MQYXJEHZJWBOSP-SNVBAGLBSA-N 0 1 302.212 2.653 20 10 DFCDMN c1cc(N2CCCCC2)ccc1CN1CCO[C@@]2(CCOC2)C1 ZINC000187534325 426669943 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CCOCc1nc([C@H](C)NCc2cccc(Cl)c2O)no1 ZINC000290821398 426848265 /nfs/dbraw/zinc/84/82/65/426848265.db2.gz GVMFSSLWLZIOQZ-VIFPVBQESA-N 0 1 311.769 2.816 20 10 DFCDMN Cc1cnn([C@@H]2CCN(Cc3ccc(N(C)C)c(F)c3)C2)c1 ZINC000291026770 426873820 /nfs/dbraw/zinc/87/38/20/426873820.db2.gz YDXMPZBARBIIDZ-OAHLLOKOSA-N 0 1 302.397 2.844 20 10 DFCDMN COCc1nc([C@H]2CCCCN2Cc2cc(F)ccc2O)n[nH]1 ZINC000296065067 427063791 /nfs/dbraw/zinc/06/37/91/427063791.db2.gz POGFTMKMWAPPPA-CYBMUJFWSA-N 0 1 320.368 2.523 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000293094709 427212919 /nfs/dbraw/zinc/21/29/19/427212919.db2.gz PVPPPLHJSKVMFV-INIZCTEOSA-N 0 1 309.381 2.621 20 10 DFCDMN CC(C)n1cnnc1CN(C)Cc1cc(Cl)c(F)cc1O ZINC000293857077 427465555 /nfs/dbraw/zinc/46/55/55/427465555.db2.gz IBKDQYATPUDBCX-UHFFFAOYSA-N 0 1 312.776 2.989 20 10 DFCDMN C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000278845502 427472323 /nfs/dbraw/zinc/47/23/23/427472323.db2.gz PZIQYDMIKZUEPW-JCGVRSQUSA-N 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ZINC000091772178 193104505 /nfs/dbraw/zinc/10/45/05/193104505.db2.gz JABOFDPUTOCIGY-LBPRGKRZSA-N 0 1 300.196 2.766 20 10 DFCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000091772428 193104552 /nfs/dbraw/zinc/10/45/52/193104552.db2.gz JYPOHJUFCAIRIV-LLVKDONJSA-N 0 1 300.742 2.565 20 10 DFCDMN Cc1nc(CN2CCN(Cc3cc(C)ccc3O)CC2)oc1C ZINC000093056251 193199823 /nfs/dbraw/zinc/19/98/23/193199823.db2.gz QLBZJTVKMXQGEY-UHFFFAOYSA-N 0 1 315.417 2.623 20 10 DFCDMN Cc1cccnc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000093158144 193209416 /nfs/dbraw/zinc/20/94/16/193209416.db2.gz DWDOCKOMOHPKTF-UHFFFAOYSA-N 0 1 311.429 2.859 20 10 DFCDMN C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(F)c1[O-] ZINC000272309005 130018381 /nfs/dbraw/zinc/01/83/81/130018381.db2.gz RGQFVBHKYIGOCW-OAQYLSRUSA-N 0 1 307.390 2.901 20 10 DFCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])N(C)C ZINC000273621301 130145701 /nfs/dbraw/zinc/14/57/01/130145701.db2.gz ZBEGISQDVLLDTK-ZJUUUORDSA-N 0 1 301.228 2.755 20 10 DFCDMN CCOc1cccc(CN(CCCO)Cc2ccccn2)c1O ZINC000289181433 131363885 /nfs/dbraw/zinc/36/38/85/131363885.db2.gz AMDLYLDMLVJURE-UHFFFAOYSA-N 0 1 316.401 2.571 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289529625 131394034 /nfs/dbraw/zinc/39/40/34/131394034.db2.gz HPDNMPWTTFCLKW-CYBMUJFWSA-N 0 1 307.287 2.811 20 10 DFCDMN C[C@@H](C(=O)NCc1cccs1)N(C)Cc1ccccc1O ZINC000109769205 426033358 /nfs/dbraw/zinc/03/33/58/426033358.db2.gz BUKYYFTYEDAKCK-LBPRGKRZSA-N 0 1 304.415 2.590 20 10 DFCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCSC1 ZINC000130529328 426161046 /nfs/dbraw/zinc/16/10/46/426161046.db2.gz HQPCTYXBLLQPMD-JTQLQIEISA-N 0 1 302.783 2.891 20 10 DFCDMN CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133611910 426182692 /nfs/dbraw/zinc/18/26/92/426182692.db2.gz CVIQPDXWAMIKCA-UHFFFAOYSA-N 0 1 305.205 2.657 20 10 DFCDMN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000136547308 426242167 /nfs/dbraw/zinc/24/21/67/426242167.db2.gz SRBVTQYSKSJTRV-CQSZACIVSA-N 0 1 313.401 2.974 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000120579958 426312835 /nfs/dbraw/zinc/31/28/35/426312835.db2.gz WHDCJOSFJIONHJ-LBPRGKRZSA-N 0 1 303.793 2.809 20 10 DFCDMN CCOc1cccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1O ZINC000092096099 426346266 /nfs/dbraw/zinc/34/62/66/426346266.db2.gz DFFWUQXDXWVRIU-OWCLPIDISA-N 0 1 321.417 2.559 20 10 DFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCOC1 ZINC000093839570 426357358 /nfs/dbraw/zinc/35/73/58/426357358.db2.gz DXXXLHSMWNJSRZ-SNVBAGLBSA-N 0 1 300.196 2.623 20 10 DFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCOC1 ZINC000093839570 426357361 /nfs/dbraw/zinc/35/73/61/426357361.db2.gz DXXXLHSMWNJSRZ-SNVBAGLBSA-N 0 1 300.196 2.623 20 10 DFCDMN NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093808878 426357424 /nfs/dbraw/zinc/35/74/24/426357424.db2.gz HYJFZUVDFGAFRP-SECBINFHSA-N 0 1 317.216 2.786 20 10 DFCDMN Cc1noc(C)c1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000153903427 426413100 /nfs/dbraw/zinc/41/31/00/426413100.db2.gz OZGNDFFJGCKCFO-CYBMUJFWSA-N 0 1 315.417 2.979 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2(O)CCCC2)c1O ZINC000124264434 426476931 /nfs/dbraw/zinc/47/69/31/426476931.db2.gz NUZFLLPMHMEALO-UHFFFAOYSA-N 0 1 311.809 2.985 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2(O)CCCC2)c1[O-] ZINC000124264434 426476935 /nfs/dbraw/zinc/47/69/35/426476935.db2.gz NUZFLLPMHMEALO-UHFFFAOYSA-N 0 1 311.809 2.985 20 10 DFCDMN Cc1cc(C(=O)N2CCCN(C)CC2)c(C)n1-c1ccccc1 ZINC000098067779 426477561 /nfs/dbraw/zinc/47/75/61/426477561.db2.gz BCIBXGCAGWHROC-UHFFFAOYSA-N 0 1 311.429 2.872 20 10 DFCDMN CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280192087 426516332 /nfs/dbraw/zinc/51/63/32/426516332.db2.gz HKUNLOQAHYNKHH-VQIMIIECSA-N 0 1 318.461 2.913 20 10 DFCDMN CCN(CC)c1ccc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280192087 426516336 /nfs/dbraw/zinc/51/63/36/426516336.db2.gz HKUNLOQAHYNKHH-VQIMIIECSA-N 0 1 318.461 2.913 20 10 DFCDMN C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000186865219 426600661 /nfs/dbraw/zinc/60/06/61/426600661.db2.gz AIFLTOQLWPFVCM-LLVKDONJSA-N 0 1 319.854 2.911 20 10 DFCDMN CN1C(=O)CCc2cc(C[N@@H+](C)Cc3ccccc3O)ccc21 ZINC000186908007 426607661 /nfs/dbraw/zinc/60/76/61/426607661.db2.gz QGRWHMOXTHADSV-UHFFFAOYSA-N 0 1 310.397 2.933 20 10 DFCDMN CCN(CC)[C@H](CNC(=O)c1cccc(O)c1O)c1ccco1 ZINC000187033885 426623209 /nfs/dbraw/zinc/62/32/09/426623209.db2.gz LUBHPYUJAHLSCM-CYBMUJFWSA-N 0 1 318.373 2.504 20 10 DFCDMN CCC(O)(CC)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227442204 426625694 /nfs/dbraw/zinc/62/56/94/426625694.db2.gz VXRQUQADAFXIAQ-UHFFFAOYSA-N 0 1 302.212 2.795 20 10 DFCDMN CCOc1cccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1O ZINC000245719543 426765600 /nfs/dbraw/zinc/76/56/00/426765600.db2.gz DFFWUQXDXWVRIU-ARFHVFGLSA-N 0 1 321.417 2.559 20 10 DFCDMN CN(C)CC1([NH2+]Cc2cc(Br)ccc2[O-])CCC1 ZINC000282272152 426869201 /nfs/dbraw/zinc/86/92/01/426869201.db2.gz PXDWJWRXTPECEF-UHFFFAOYSA-N 0 1 313.239 2.729 20 10 DFCDMN COc1cc(Cl)cc(CNCc2ncccc2N(C)C)c1O ZINC000291453317 426885551 /nfs/dbraw/zinc/88/55/51/426885551.db2.gz CQZGUMAUNNGMOU-UHFFFAOYSA-N 0 1 321.808 2.805 20 10 DFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000295323281 426909013 /nfs/dbraw/zinc/90/90/13/426909013.db2.gz LKYVZMPECANGHB-SNVBAGLBSA-N 0 1 315.772 2.770 20 10 DFCDMN CCOc1ccc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c1 ZINC000248866962 427055348 /nfs/dbraw/zinc/05/53/48/427055348.db2.gz TWEJGVJLGHGYTD-NUTKFTJISA-N 0 1 319.401 2.564 20 10 DFCDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)n[nH]1 ZINC000276865653 427126291 /nfs/dbraw/zinc/12/62/91/427126291.db2.gz GRAFAGLBGRHQKW-PSASIEDQSA-N 0 1 318.377 2.529 20 10 DFCDMN CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CCc3cccc(O)c32)C1)C(N)=O ZINC000296558677 427225638 /nfs/dbraw/zinc/22/56/38/427225638.db2.gz SCACMESTGRIGPE-ZFWWWQNUSA-N 0 1 316.445 2.993 20 10 DFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000183406681 427263535 /nfs/dbraw/zinc/26/35/35/427263535.db2.gz MQUPOIVNHBIPMQ-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271080295 427397216 /nfs/dbraw/zinc/39/72/16/427397216.db2.gz QVFSLNKVGHYJMI-CYBMUJFWSA-N 0 1 322.836 2.784 20 10 DFCDMN O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271080295 427397219 /nfs/dbraw/zinc/39/72/19/427397219.db2.gz QVFSLNKVGHYJMI-CYBMUJFWSA-N 0 1 322.836 2.784 20 10 DFCDMN Oc1cc(F)c(Cl)cc1CN1CCCC2(C1)OCCO2 ZINC000293733169 427415684 /nfs/dbraw/zinc/41/56/84/427415684.db2.gz WOIGGDOWJRPJLJ-UHFFFAOYSA-N 0 1 301.745 2.524 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1[O-] ZINC000271145355 427416666 /nfs/dbraw/zinc/41/66/66/427416666.db2.gz ZVRWSAWBZUPEKP-WCQYABFASA-N 0 1 312.753 2.707 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1[O-] ZINC000271145355 427416673 /nfs/dbraw/zinc/41/66/73/427416673.db2.gz ZVRWSAWBZUPEKP-WCQYABFASA-N 0 1 312.753 2.707 20 10 DFCDMN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000278325687 427430048 /nfs/dbraw/zinc/43/00/48/427430048.db2.gz GORBUXQHYNWTPT-FZMZJTMJSA-N 0 1 324.396 2.876 20 10 DFCDMN CCOC(=O)N1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000271186563 427438568 /nfs/dbraw/zinc/43/85/68/427438568.db2.gz KGTOANMEBAJNRU-UHFFFAOYSA-N 0 1 312.797 2.710 20 10 DFCDMN CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1O ZINC000278476815 427442234 /nfs/dbraw/zinc/44/22/34/427442234.db2.gz KFJDHDSYYDFTJB-RDJZCZTQSA-N 0 1 306.450 2.934 20 10 DFCDMN C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000184916926 427562894 /nfs/dbraw/zinc/56/28/94/427562894.db2.gz URMDJWUXEZABGW-SNVBAGLBSA-N 0 1 308.765 2.719 20 10 DFCDMN CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185463781 427656323 /nfs/dbraw/zinc/65/63/23/427656323.db2.gz PSGPXOOCZMSWBS-TVQRCGJNSA-N 0 1 302.212 2.822 20 10 DFCDMN C[C@@H](c1nccs1)N1CCN(Cc2ccccc2O)CC1 ZINC000185609250 427680753 /nfs/dbraw/zinc/68/07/53/427680753.db2.gz LOMAMOCEUYQBJH-ZDUSSCGKSA-N 0 1 303.431 2.728 20 10 DFCDMN CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(OC)ccc1O ZINC000185866468 427721250 /nfs/dbraw/zinc/72/12/50/427721250.db2.gz ISSNFVMXCWHHHZ-NSHDSACASA-N 0 1 319.405 2.556 20 10 DFCDMN C=Cn1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000193605492 427698810 /nfs/dbraw/zinc/69/88/10/427698810.db2.gz RLIOTGFCLVHGND-QGZVFWFLSA-N 0 1 313.401 2.870 20 10 DFCDMN C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000295136117 427707795 /nfs/dbraw/zinc/70/77/95/427707795.db2.gz YUEBQKDHRDYWLI-SECBINFHSA-N 0 1 302.212 2.794 20 10 DFCDMN CCCOc1ccc(CN2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279615279 427713516 /nfs/dbraw/zinc/71/35/16/427713516.db2.gz GCPPEIVLPKDBEG-KBXCAEBGSA-N 0 1 321.417 2.561 20 10 DFCDMN Cc1cc(Cl)cc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000279717116 427716342 /nfs/dbraw/zinc/71/63/42/427716342.db2.gz UDFKIQSHPRNRJK-WBMJQRKESA-N 0 1 311.809 2.734 20 10 DFCDMN CC[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@]2(CCOC2)O1 ZINC000369545194 427995541 /nfs/dbraw/zinc/99/55/41/427995541.db2.gz DOEBFDFEHZWQOP-GOEBONIOSA-N 0 1 311.809 2.816 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCC3(CCC[N@@H+]3C)CC2)c1O ZINC000369956412 428097499 /nfs/dbraw/zinc/09/74/99/428097499.db2.gz BNCYMOGMZHZVMV-UHFFFAOYSA-N 0 1 320.408 2.794 20 10 DFCDMN Nc1nccc([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000377691099 428196582 /nfs/dbraw/zinc/19/65/82/428196582.db2.gz HGLUFBYUYQPGHN-LLVKDONJSA-N 0 1 318.808 2.797 20 10 DFCDMN Nc1nccc([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000377691099 428196587 /nfs/dbraw/zinc/19/65/87/428196587.db2.gz HGLUFBYUYQPGHN-LLVKDONJSA-N 0 1 318.808 2.797 20 10 DFCDMN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000371422982 428389547 /nfs/dbraw/zinc/38/95/47/428389547.db2.gz HZIAMNJFVVDMAI-HONMWMINSA-N 0 1 308.809 2.664 20 10 DFCDMN C[C@H]([NH2+]C[C@H]1CCC[C@@H]1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000371870625 428407337 /nfs/dbraw/zinc/40/73/37/428407337.db2.gz RLCIZVKJGDXTAT-VBQJREDUSA-N 0 1 322.424 2.683 20 10 DFCDMN COc1cc(O)c(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1OC ZINC000371365089 428386878 /nfs/dbraw/zinc/38/68/78/428386878.db2.gz BLIVKYQLJIKEIZ-GFCCVEGCSA-N 0 1 303.358 2.992 20 10 DFCDMN O=C([C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-])N1CCCC1 ZINC000361050953 428531641 /nfs/dbraw/zinc/53/16/41/428531641.db2.gz IOUDYSHLQAGUJI-HNNXBMFYSA-N 0 1 306.381 2.508 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@]2(CCCOC2)O1 ZINC000373470957 428585733 /nfs/dbraw/zinc/58/57/33/428585733.db2.gz UYRJKEOYZOUNQP-WMZOPIPTSA-N 0 1 305.418 2.861 20 10 DFCDMN CC(C)N(C)C(=O)[C@H](C)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000361100806 428536165 /nfs/dbraw/zinc/53/61/65/428536165.db2.gz AKMKADMGOKDMSZ-HNNXBMFYSA-N 0 1 315.461 2.707 20 10 DFCDMN [O-]c1c(Cl)cccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362036125 428613999 /nfs/dbraw/zinc/61/39/99/428613999.db2.gz FKGLJJZWJROCQN-YCPHGPKFSA-N 0 1 306.837 2.962 20 10 DFCDMN [O-]c1c(Cl)cccc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362036125 428614001 /nfs/dbraw/zinc/61/40/01/428614001.db2.gz FKGLJJZWJROCQN-YCPHGPKFSA-N 0 1 306.837 2.962 20 10 DFCDMN COc1c([O-])c(C[NH2+][C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000373918567 428655052 /nfs/dbraw/zinc/65/50/52/428655052.db2.gz RBDJYDIBCGZIII-LBPRGKRZSA-N 0 1 316.313 2.532 20 10 DFCDMN Cc1nc([C@@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)no1 ZINC000362386125 428725224 /nfs/dbraw/zinc/72/52/24/428725224.db2.gz NXEJQOHZBWSYRV-CQSZACIVSA-N 0 1 318.396 2.963 20 10 DFCDMN C[C@H]1Oc2c(cccc2F)[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000363532143 428937727 /nfs/dbraw/zinc/93/77/27/428937727.db2.gz GISBDODLDBHNRX-ABKXIKBNSA-N 0 1 317.316 2.872 20 10 DFCDMN C[C@H]1COCCN(Cc2cc(Br)ccc2O)C1 ZINC000376582681 429143307 /nfs/dbraw/zinc/14/33/07/429143307.db2.gz VHLYZJJCUYFNDK-SNVBAGLBSA-N 0 1 300.196 2.623 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000132115737 275061507 /nfs/dbraw/zinc/06/15/07/275061507.db2.gz NTUZZNVZDPHJCE-KRWDZBQOSA-N 0 1 303.789 2.969 20 10 DFCDMN CC(C)OC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000365358326 429305734 /nfs/dbraw/zinc/30/57/34/429305734.db2.gz JWEWUYLDSBQRFP-LLVKDONJSA-N 0 1 317.788 2.811 20 10 DFCDMN C[C@H]1OCC[C@]12CN(Cc1cc(Cl)ccc1O)C[C@@H](C)O2 ZINC000365751449 429366991 /nfs/dbraw/zinc/36/69/91/429366991.db2.gz CETDPMYZDWRYQJ-HSMVNMDESA-N 0 1 311.809 2.814 20 10 DFCDMN COc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000366807759 429517512 /nfs/dbraw/zinc/51/75/12/429517512.db2.gz IJMAHVQWERNTOP-DEYYWGMASA-N 0 1 321.417 2.559 20 10 DFCDMN COc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000366807762 429517797 /nfs/dbraw/zinc/51/77/97/429517797.db2.gz IJMAHVQWERNTOP-QWQRMKEZSA-N 0 1 321.417 2.559 20 10 DFCDMN Nc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000367659037 429693325 /nfs/dbraw/zinc/69/33/25/429693325.db2.gz RUPQWBNQKXPFGI-NSHDSACASA-N 0 1 318.808 2.797 20 10 DFCDMN Nc1nccc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000367659037 429693327 /nfs/dbraw/zinc/69/33/27/429693327.db2.gz RUPQWBNQKXPFGI-NSHDSACASA-N 0 1 318.808 2.797 20 10 DFCDMN FC(F)(F)[C@@H](CNCc1ccc2c(c1)CCO2)n1cccn1 ZINC000527743341 429790159 /nfs/dbraw/zinc/79/01/59/429790159.db2.gz NETKWASXLOMCLR-CQSZACIVSA-N 0 1 311.307 2.711 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cc(Cl)ccc1[O-] ZINC000368332344 429831310 /nfs/dbraw/zinc/83/13/10/429831310.db2.gz NHBIZYLFRPFNOI-BXUZGUMPSA-N 0 1 310.825 2.559 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC23CCOCC3)c1[O-] ZINC000368475832 429855082 /nfs/dbraw/zinc/85/50/82/429855082.db2.gz WVHGDFWTZZFYOK-UHFFFAOYSA-N 0 1 312.753 2.709 20 10 DFCDMN CN(Cc1ccccc1O)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528420605 429887165 /nfs/dbraw/zinc/88/71/65/429887165.db2.gz WUHRHQVESUDZEN-MRXNPFEDSA-N 0 1 302.418 2.758 20 10 DFCDMN c1nnc([C@H](NCc2ccc3c(c2)CCO3)c2ccccc2)[nH]1 ZINC000369019613 429907768 /nfs/dbraw/zinc/90/77/68/429907768.db2.gz YRTUSXVXUKWTRT-QGZVFWFLSA-N 0 1 306.369 2.619 20 10 DFCDMN Cc1cccc(CN[C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000317236709 331638399 /nfs/dbraw/zinc/63/83/99/331638399.db2.gz DPXNAYKTIREELP-ZDUSSCGKSA-N 0 1 300.406 2.869 20 10 DFCDMN C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000278845516 332137875 /nfs/dbraw/zinc/13/78/75/332137875.db2.gz PZIQYDMIKZUEPW-ZJNRKIDTSA-N 0 1 301.386 2.736 20 10 DFCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCCOC1 ZINC000119739497 332377449 /nfs/dbraw/zinc/37/74/49/332377449.db2.gz ATQCDJBEYRULQK-SNVBAGLBSA-N 0 1 314.769 2.812 20 10 DFCDMN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](O)CC2)c1O ZINC000293946108 335116049 /nfs/dbraw/zinc/11/60/49/335116049.db2.gz ILYFMKAWJUPYPG-CYBMUJFWSA-N 0 1 314.223 2.810 20 10 DFCDMN Cc1cc(Br)cc(C[N@@H+]2CCOC[C@H](C)C2)c1O ZINC000378446518 333039335 /nfs/dbraw/zinc/03/93/35/333039335.db2.gz ZLCKWTPCRSZODZ-SNVBAGLBSA-N 0 1 314.223 2.931 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000294084248 335120145 /nfs/dbraw/zinc/12/01/45/335120145.db2.gz RFUSMUHKYBCOMJ-AWEZNQCLSA-N 0 1 324.377 2.556 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000294084251 335120289 /nfs/dbraw/zinc/12/02/89/335120289.db2.gz RFUSMUHKYBCOMJ-CQSZACIVSA-N 0 1 324.377 2.556 20 10 DFCDMN Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)no1 ZINC000272272505 334032598 /nfs/dbraw/zinc/03/25/98/334032598.db2.gz LSLPYWXFEPFJAI-LBPRGKRZSA-N 0 1 305.353 2.677 20 10 DFCDMN Cc1cc(Br)cc(C[N@@H+](C)CCCCO)c1O ZINC000276514912 334080566 /nfs/dbraw/zinc/08/05/66/334080566.db2.gz BIZYAQKQDWOXEA-UHFFFAOYSA-N 0 1 302.212 2.667 20 10 DFCDMN C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(=O)NCCF ZINC000282405844 334134481 /nfs/dbraw/zinc/13/44/81/334134481.db2.gz CACQGCZAKHJXLC-RYUDHWBXSA-N 0 1 304.365 2.670 20 10 DFCDMN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2[nH]nnc2c1 ZINC000352110185 336195306 /nfs/dbraw/zinc/19/53/06/336195306.db2.gz ARPOHYDTUMIKLK-UHFFFAOYSA-N 0 1 319.368 2.688 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@]2(CCCOC2)O1 ZINC000376444907 337033579 /nfs/dbraw/zinc/03/35/79/337033579.db2.gz XTFYKUJZIMSUMB-AEFFLSMTSA-N 0 1 305.418 2.861 20 10 DFCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000185585544 337249124 /nfs/dbraw/zinc/24/91/24/337249124.db2.gz RANAGQZVLKQRHW-NEPJUHHUSA-N 0 1 316.405 2.740 20 10 DFCDMN Cc1ccc(O)c(CN[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000316320425 340680389 /nfs/dbraw/zinc/68/03/89/340680389.db2.gz YZAKPLSZUWLZKC-CYBMUJFWSA-N 0 1 300.406 2.869 20 10 DFCDMN CCOc1cccc(CN2CCN(c3ccccn3)CC2)c1O ZINC000158889279 521342284 /nfs/dbraw/zinc/34/22/84/521342284.db2.gz HUVPNHVLIUPYCX-UHFFFAOYSA-N 0 1 313.401 2.508 20 10 DFCDMN COCCOc1ncccc1CNCc1c(O)cccc1Cl ZINC000264952251 521756206 /nfs/dbraw/zinc/75/62/06/521756206.db2.gz LDRXVLMHERJGOT-UHFFFAOYSA-N 0 1 322.792 2.756 20 10 DFCDMN CN(C)c1ccc(CN(c2ncnc3[nH]cnc32)C2CC2)cc1 ZINC000267204249 522178163 /nfs/dbraw/zinc/17/81/63/522178163.db2.gz KBUZOQLTHOJMAQ-UHFFFAOYSA-N 0 1 308.389 2.588 20 10 DFCDMN COc1ccccc1CN(CCO)Cc1cc(F)ccc1O ZINC000179940045 524440769 /nfs/dbraw/zinc/44/07/69/524440769.db2.gz BJPOWFBZKWKCRM-UHFFFAOYSA-N 0 1 305.349 2.534 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(Br)ccc1[O-] ZINC000189299762 525486303 /nfs/dbraw/zinc/48/63/03/525486303.db2.gz XRFVKVGFPTUMQK-FOGDFJRCSA-N 0 1 314.223 2.966 20 10 DFCDMN C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000181013582 525554983 /nfs/dbraw/zinc/55/49/83/525554983.db2.gz RHMNMDGMLCOVQB-SECBINFHSA-N 0 1 310.195 2.739 20 10 DFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000158067606 527025537 /nfs/dbraw/zinc/02/55/37/527025537.db2.gz IZHYPRRHGKWZEK-AWEZNQCLSA-N 0 1 308.809 2.536 20 10 DFCDMN CCN(CC)c1ccc(CN2CCO[C@]3(CCCOC3)C2)cc1 ZINC000289365664 535684890 /nfs/dbraw/zinc/68/48/90/535684890.db2.gz KUKKWLBMMWWGRQ-LJQANCHMSA-N 0 1 318.461 2.914 20 10 DFCDMN COCCOc1ncccc1CN[C@H](C)c1cc(F)ccc1O ZINC000273439458 536742453 /nfs/dbraw/zinc/74/24/53/536742453.db2.gz XZHZHRLRGAHUMQ-GFCCVEGCSA-N 0 1 320.364 2.802 20 10 DFCDMN C[C@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCCO1 ZINC000736809973 600426539 /nfs/dbraw/zinc/42/65/39/600426539.db2.gz MPZRBUSDUQATEV-LBPRGKRZSA-N 0 1 315.369 2.854 20 10 DFCDMN O=C([O-])c1cc2ccccc2c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000833307168 601055317 /nfs/dbraw/zinc/05/53/17/601055317.db2.gz FZEZQPYRUWQHDP-BETUJISGSA-N 0 1 313.353 2.607 20 10 DFCDMN Cc1cc(O)c(C[N@@H+](CCC(=O)[O-])Cc2ccncc2)cc1C ZINC000832899665 601559407 /nfs/dbraw/zinc/55/94/07/601559407.db2.gz PVEMVBUJIWFBKF-UHFFFAOYSA-N 0 1 314.385 2.881 20 10 DFCDMN CN(C(=O)[O-])[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000827890788 603915896 /nfs/dbraw/zinc/91/58/96/603915896.db2.gz UABIOWIKUHRTPJ-ZDUSSCGKSA-N 0 1 322.405 2.579 20 10 DFCDMN COc1cccc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC000833735231 604526821 /nfs/dbraw/zinc/52/68/21/604526821.db2.gz HCNGNIYJWGLVCA-UHFFFAOYSA-N 0 1 305.330 2.632 20 10 DFCDMN O=C([O-])NC[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000834226341 605573068 /nfs/dbraw/zinc/57/30/68/605573068.db2.gz WCDDIGMCDZMDIR-MRXNPFEDSA-N 0 1 317.433 2.766 20 10 DFCDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000833815788 605602367 /nfs/dbraw/zinc/60/23/67/605602367.db2.gz WYGYCOFIYLVEBZ-GHMZBOCLSA-N 0 1 312.797 2.914 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[NH2+]C2(C(N)=O)CCCCC2)c1[O-] ZINC000088545497 185257140 /nfs/dbraw/zinc/25/71/40/185257140.db2.gz GNZQTEOVPHRWTG-UHFFFAOYSA-N 0 1 324.808 2.526 20 10 DFCDMN Cc1cc(O)c(CN2CCN(c3ncccc3F)CC2)cc1C ZINC000090184552 398484111 /nfs/dbraw/zinc/48/41/11/398484111.db2.gz GJTAGVYACZKDJL-UHFFFAOYSA-N 0 1 315.392 2.865 20 10 DFCDMN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(C)c(C)cc1O ZINC000043593225 398626176 /nfs/dbraw/zinc/62/61/76/398626176.db2.gz LKUASECHZGESSU-SFHVURJKSA-N 0 1 324.424 2.682 20 10 DFCDMN CO[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])C(C)C ZINC000072924654 398648310 /nfs/dbraw/zinc/64/83/10/398648310.db2.gz UGILYKASYQDJHN-ZDUSSCGKSA-N 0 1 302.212 2.915 20 10 DFCDMN COc1ccc(N2CCN(CCc3ccccn3)CC2)cc1F ZINC000084866871 192471117 /nfs/dbraw/zinc/47/11/17/192471117.db2.gz FOFLGMARXGEKEB-UHFFFAOYSA-N 0 1 315.392 2.594 20 10 DFCDMN CC[C@@H](C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106702840 194245198 /nfs/dbraw/zinc/24/51/98/194245198.db2.gz HKEXWRNWCHBHMG-CQSZACIVSA-N 0 1 321.440 2.630 20 10 DFCDMN Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c(O)c1O ZINC000272815742 130066408 /nfs/dbraw/zinc/06/64/08/130066408.db2.gz NZCMOZIESAFGKW-CYBMUJFWSA-N 0 1 320.414 2.500 20 10 DFCDMN Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000275622652 130350323 /nfs/dbraw/zinc/35/03/23/130350323.db2.gz RTIQJJDELRLYFC-MEDUHNTESA-N 0 1 321.808 2.647 20 10 DFCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000369553535 131270827 /nfs/dbraw/zinc/27/08/27/131270827.db2.gz VAHFSRGPQGFNBG-ZUZCIYMTSA-N 0 1 315.772 2.565 20 10 DFCDMN C[C@@H](C1CC1)N(C(=O)CN(C)Cc1ccccc1O)C1CC1 ZINC000111236194 426038609 /nfs/dbraw/zinc/03/86/09/426038609.db2.gz WQCGULARRFTMML-ZDUSSCGKSA-N 0 1 302.418 2.614 20 10 DFCDMN CC(C)[N@@H+](C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295961 426012972 /nfs/dbraw/zinc/01/29/72/426012972.db2.gz VKHFGZOPJJFUST-UHFFFAOYSA-N 0 1 317.477 2.879 20 10 DFCDMN C[C@@H](C(=O)NCCc1cccs1)N(C)Cc1ccccc1O ZINC000114721351 426143224 /nfs/dbraw/zinc/14/32/24/426143224.db2.gz LTBVFGNVQQMTOX-ZDUSSCGKSA-N 0 1 318.442 2.633 20 10 DFCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccs1 ZINC000171112521 426170069 /nfs/dbraw/zinc/17/00/69/426170069.db2.gz ZGGIXZLJYGNXKE-ZDUSSCGKSA-N 0 1 317.458 2.781 20 10 DFCDMN CN(CC(=O)N(C)Cc1cccs1)Cc1ccccc1O ZINC000174854143 426267371 /nfs/dbraw/zinc/26/73/71/426267371.db2.gz XSPIZRPXXGOLSV-UHFFFAOYSA-N 0 1 304.415 2.544 20 10 DFCDMN C[C@H](c1ccccc1)N(CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000093734192 426359014 /nfs/dbraw/zinc/35/90/14/426359014.db2.gz TWFIOZUVMXCVHL-OAHLLOKOSA-N 0 1 311.429 2.801 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1F ZINC000123689298 426447390 /nfs/dbraw/zinc/44/73/90/426447390.db2.gz DXWHQSBQKGAZPO-KGLIPLIRSA-N 0 1 320.330 2.779 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1F ZINC000123689509 426447782 /nfs/dbraw/zinc/44/77/82/426447782.db2.gz DXWHQSBQKGAZPO-KBPBESRZSA-N 0 1 320.330 2.779 20 10 DFCDMN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCc2[nH]ncc21 ZINC000177387606 426475032 /nfs/dbraw/zinc/47/50/32/426475032.db2.gz DRIFSCCWLJSWKN-MRXNPFEDSA-N 0 1 324.428 2.746 20 10 DFCDMN C[C@H]([NH2+]CC1(C)OCCO1)c1cc(Br)ccc1[O-] ZINC000186211387 426493985 /nfs/dbraw/zinc/49/39/85/426493985.db2.gz OQYFQUMBWAQYMG-VIFPVBQESA-N 0 1 316.195 2.568 20 10 DFCDMN CN(C)c1ccc(CN(C)Cc2nnc[nH]2)c(C(F)(F)F)c1 ZINC000280421017 426572575 /nfs/dbraw/zinc/57/25/75/426572575.db2.gz ZAKNCUIHOONWKF-UHFFFAOYSA-N 0 1 313.327 2.522 20 10 DFCDMN C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000280418747 426572713 /nfs/dbraw/zinc/57/27/13/426572713.db2.gz ZATGTEUJJIMDPG-IBGZPJMESA-N 0 1 310.397 2.757 20 10 DFCDMN Cc1ccc([C@@H](N)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000280501661 426587156 /nfs/dbraw/zinc/58/71/56/426587156.db2.gz DWUVUAVHOPCZFQ-LJQANCHMSA-N 0 1 323.440 2.694 20 10 DFCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@@H]1CCCO1 ZINC000227437270 426627236 /nfs/dbraw/zinc/62/72/36/426627236.db2.gz 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C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000186539543 426546174 /nfs/dbraw/zinc/54/61/74/426546174.db2.gz KVDSPGMUHXYRGY-GSRNSYJJSA-N 0 1 320.252 2.572 20 10 DFCDMN CC[C@@]1(CO)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000187624081 426677519 /nfs/dbraw/zinc/67/75/19/426677519.db2.gz CFZRFAYUGCUIKL-QGZVFWFLSA-N 0 1 309.381 2.718 20 10 DFCDMN CC[C@@]1(CO)CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000187624081 426677521 /nfs/dbraw/zinc/67/75/21/426677521.db2.gz CFZRFAYUGCUIKL-QGZVFWFLSA-N 0 1 309.381 2.718 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000227438771 426625912 /nfs/dbraw/zinc/62/59/12/426625912.db2.gz SUQQNGIBZCQVNZ-SNVBAGLBSA-N 0 1 300.196 2.671 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1nccs1 ZINC000227442697 426627099 /nfs/dbraw/zinc/62/70/99/426627099.db2.gz OSVMUFAZBIPVIY-UHFFFAOYSA-N 0 1 313.220 2.944 20 10 DFCDMN CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000281302171 426709525 /nfs/dbraw/zinc/70/95/25/426709525.db2.gz 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C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ncnn1C ZINC000276698631 427116969 /nfs/dbraw/zinc/11/69/69/427116969.db2.gz VNQUNVQCPZLWCY-RYUDHWBXSA-N 0 1 300.406 2.811 20 10 DFCDMN C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ncnn1C ZINC000276698635 427118355 /nfs/dbraw/zinc/11/83/55/427118355.db2.gz VNQUNVQCPZLWCY-VXGBXAGGSA-N 0 1 300.406 2.811 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1[O-] ZINC000292921811 427205448 /nfs/dbraw/zinc/20/54/48/427205448.db2.gz BWEUDMOGLDOPHA-SFHVURJKSA-N 0 1 323.408 2.964 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1[O-] ZINC000292921811 427205455 /nfs/dbraw/zinc/20/54/55/427205455.db2.gz BWEUDMOGLDOPHA-SFHVURJKSA-N 0 1 323.408 2.964 20 10 DFCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278616558 427446801 /nfs/dbraw/zinc/44/68/01/427446801.db2.gz FHEFAMMLRIWQOC-ZDUSSCGKSA-N 0 1 324.377 2.556 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CC[C@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278616558 427446808 /nfs/dbraw/zinc/44/68/08/427446808.db2.gz FHEFAMMLRIWQOC-ZDUSSCGKSA-N 0 1 324.377 2.556 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Br)cc1[O-] ZINC000184851329 427552040 /nfs/dbraw/zinc/55/20/40/427552040.db2.gz DLNRBZSXMFWYNU-KOLCDFICSA-N 0 1 300.196 2.984 20 10 DFCDMN C[C@@H](CCCO)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000294734835 427648427 /nfs/dbraw/zinc/64/84/27/427648427.db2.gz GPPHWWKHTRMEFK-JTQLQIEISA-N 0 1 302.212 2.653 20 10 DFCDMN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1O ZINC000279439865 427672722 /nfs/dbraw/zinc/67/27/22/427672722.db2.gz OZCSZOOOWZBTFW-ZDUSSCGKSA-N 0 1 312.841 2.507 20 10 DFCDMN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(C)ccc1O ZINC000185774665 427703875 /nfs/dbraw/zinc/70/38/75/427703875.db2.gz SBTCEWWJUPHPKN-TZMCWYRMSA-N 0 1 316.405 2.624 20 10 DFCDMN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(C)ccc1O ZINC000185774713 427704462 /nfs/dbraw/zinc/70/44/62/427704462.db2.gz SBTCEWWJUPHPKN-OCCSQVGLSA-N 0 1 316.405 2.624 20 10 DFCDMN CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185800852 427708491 /nfs/dbraw/zinc/70/84/91/427708491.db2.gz RNIHNSONVDLNEH-GXSJLCMTSA-N 0 1 302.212 2.966 20 10 DFCDMN CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185802222 427709238 /nfs/dbraw/zinc/70/92/38/427709238.db2.gz QDDWMHHEMIYVQC-ONGXEEELSA-N 0 1 302.212 2.966 20 10 DFCDMN CCN(CC)c1ccc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000279619374 427712848 /nfs/dbraw/zinc/71/28/48/427712848.db2.gz GPPNZEDMEUJZOL-APWZRJJASA-N 0 1 318.461 2.913 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCN1CC=CCC1 ZINC000279802169 427716944 /nfs/dbraw/zinc/71/69/44/427716944.db2.gz NPFVXKWXUYVQLG-UHFFFAOYSA-N 0 1 311.223 2.506 20 10 DFCDMN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN1C1CC1 ZINC000279761018 427718866 /nfs/dbraw/zinc/71/88/66/427718866.db2.gz DXJHDOGAMRJEQO-KRWDZBQOSA-N 0 1 314.429 2.514 20 10 DFCDMN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186029735 427743057 /nfs/dbraw/zinc/74/30/57/427743057.db2.gz SVXXEAKVIDGOOM-NXEZZACHSA-N 0 1 305.827 2.519 20 10 DFCDMN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000186109360 427748186 /nfs/dbraw/zinc/74/81/86/427748186.db2.gz QVRBQODLCAUXQH-CMPLNLGQSA-N 0 1 311.813 2.500 20 10 DFCDMN CC[C@H]1CN(Cc2cc(F)ccc2O)C[C@]2(CCCOC2)O1 ZINC000369879107 428080819 /nfs/dbraw/zinc/08/08/19/428080819.db2.gz XCUIXCQLWAEMAZ-RDJZCZTQSA-N 0 1 309.381 2.691 20 10 DFCDMN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000371248122 428379642 /nfs/dbraw/zinc/37/96/42/428379642.db2.gz UJHBZAZGKATLBW-BYCMXARLSA-N 0 1 322.836 2.782 20 10 DFCDMN Cc1nc(C)n(C[C@H]2CCCC[N@H+]2Cc2cccc(F)c2[O-])n1 ZINC000361050408 428532340 /nfs/dbraw/zinc/53/23/40/428532340.db2.gz HCKCSEDXZOJSEB-OAHLLOKOSA-N 0 1 318.396 2.794 20 10 DFCDMN O=C([C@@H]1CCCCN1Cc1cc(F)ccc1O)N1CCCC1 ZINC000361049384 428533375 /nfs/dbraw/zinc/53/33/75/428533375.db2.gz CMILEFZMKBBEHW-HNNXBMFYSA-N 0 1 306.381 2.508 20 10 DFCDMN CC(C)N(C)C(=O)[C@@H](C)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000361100807 428534475 /nfs/dbraw/zinc/53/44/75/428534475.db2.gz AKMKADMGOKDMSZ-OAHLLOKOSA-N 0 1 315.461 2.707 20 10 DFCDMN C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1cc(Cl)ccc1[O-] ZINC000374503477 428687967 /nfs/dbraw/zinc/68/79/67/428687967.db2.gz IWAAEDAIZMEPKU-BPNCWPANSA-N 0 1 308.809 2.850 20 10 DFCDMN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)ccc1O ZINC000362614149 428794649 /nfs/dbraw/zinc/79/46/49/428794649.db2.gz DSSMRVAAXQFCDP-BPNCWPANSA-N 0 1 308.809 2.664 20 10 DFCDMN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000362614149 428794660 /nfs/dbraw/zinc/79/46/60/428794660.db2.gz DSSMRVAAXQFCDP-BPNCWPANSA-N 0 1 308.809 2.664 20 10 DFCDMN C[C@@H]1OCC[C@]12CN(Cc1cc(Cl)ccc1O)C[C@@H](C)O2 ZINC000365751450 429367287 /nfs/dbraw/zinc/36/72/87/429367287.db2.gz CETDPMYZDWRYQJ-WQGACYEGSA-N 0 1 311.809 2.814 20 10 DFCDMN COc1ccc(N2CCC([N@@H+](C)CCCCC(=O)[O-])CC2)cc1 ZINC000367820397 429722724 /nfs/dbraw/zinc/72/27/24/429722724.db2.gz ISENCGGBDDOXFJ-UHFFFAOYSA-N 0 1 320.433 2.851 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Cl)ccc1[O-] ZINC000368331491 429831514 /nfs/dbraw/zinc/83/15/14/429831514.db2.gz JYISWNFWSIHGQV-IQOUGMIPSA-N 0 1 308.809 2.706 20 10 DFCDMN CC[C@@H](c1ccccc1O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000368586791 429871736 /nfs/dbraw/zinc/87/17/36/429871736.db2.gz ZPFYARURNSKXHX-IRXDYDNUSA-N 0 1 310.397 2.756 20 10 DFCDMN CCNC(=O)CN(CC)Cc1ccc(N2CCCCC2)cc1 ZINC000119291609 332368884 /nfs/dbraw/zinc/36/88/84/332368884.db2.gz FJUFBVMOTCVZAT-UHFFFAOYSA-N 0 1 303.450 2.635 20 10 DFCDMN COc1cccc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294904328 335130290 /nfs/dbraw/zinc/13/02/90/335130290.db2.gz XNZGVIXGYJKRRN-ZDUSSCGKSA-N 0 1 320.433 2.514 20 10 DFCDMN COc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000184703150 333364839 /nfs/dbraw/zinc/36/48/39/333364839.db2.gz RIARCGSRYMQMQH-WFASDCNBSA-N 0 1 324.852 2.970 20 10 DFCDMN COc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000184703150 333364840 /nfs/dbraw/zinc/36/48/40/333364840.db2.gz RIARCGSRYMQMQH-WFASDCNBSA-N 0 1 324.852 2.970 20 10 DFCDMN COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185467462 333370165 /nfs/dbraw/zinc/37/01/65/333370165.db2.gz AHYFHMTUTYJEFU-FZKQIMNGSA-N 0 1 303.402 2.984 20 10 DFCDMN CN(C)c1ccc(CN(C[C@@H](O)C(F)(F)F)C2CC2)cc1 ZINC000273899734 334052913 /nfs/dbraw/zinc/05/29/13/334052913.db2.gz FDMZBCASQWVEOF-CQSZACIVSA-N 0 1 302.340 2.640 20 10 DFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]2CSC)ccc1[N+](=O)[O-] ZINC000278178541 334093219 /nfs/dbraw/zinc/09/32/19/334093219.db2.gz GOZSCFDYINZNBV-NSHDSACASA-N 0 1 312.391 2.636 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2CSC)ccc1[N+](=O)[O-] ZINC000278178541 334093221 /nfs/dbraw/zinc/09/32/21/334093221.db2.gz GOZSCFDYINZNBV-NSHDSACASA-N 0 1 312.391 2.636 20 10 DFCDMN C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(=O)NCCF ZINC000282405848 334134564 /nfs/dbraw/zinc/13/45/64/334134564.db2.gz CACQGCZAKHJXLC-VXGBXAGGSA-N 0 1 304.365 2.670 20 10 DFCDMN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000352125771 336195785 /nfs/dbraw/zinc/19/57/85/336195785.db2.gz LPYDYJWBAZZYNU-KRWDZBQOSA-N 0 1 311.429 2.730 20 10 DFCDMN CN(Cc1ccccc1O)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302879928 336372932 /nfs/dbraw/zinc/37/29/32/336372932.db2.gz HYRSMCGFJUCUTL-UHFFFAOYSA-N 0 1 323.278 2.714 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000367282086 336598180 /nfs/dbraw/zinc/59/81/80/336598180.db2.gz GNIANHXQRTXZJT-XJKSGUPXSA-N 0 1 305.761 2.630 20 10 DFCDMN Oc1c(Cl)cccc1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000375075508 337002727 /nfs/dbraw/zinc/00/27/27/337002727.db2.gz SWRVBGDFSNIROX-UHFFFAOYSA-N 0 1 307.752 2.888 20 10 DFCDMN CN(C)c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000375397100 337010379 /nfs/dbraw/zinc/01/03/79/337010379.db2.gz ZUALEFBXRGOOGO-QGZVFWFLSA-N 0 1 307.401 2.750 20 10 DFCDMN CN(C)c1ccc(C2=CCN(C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000375493635 337012111 /nfs/dbraw/zinc/01/21/11/337012111.db2.gz IWHIBRPIFAVGPZ-OAHLLOKOSA-N 0 1 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CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c1[O-] ZINC000267393833 518277714 /nfs/dbraw/zinc/27/77/14/518277714.db2.gz PKBVSDYEJJIZDM-IAQYHMDHSA-N 0 1 311.809 2.984 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2noc(C)n2)c1[O-] ZINC000267431508 518278280 /nfs/dbraw/zinc/27/82/80/518278280.db2.gz YSIDSWAJLFKRCV-UHFFFAOYSA-N 0 1 323.780 2.614 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCc2noc(C)n2)c1[O-] ZINC000267431508 518278287 /nfs/dbraw/zinc/27/82/87/518278287.db2.gz YSIDSWAJLFKRCV-UHFFFAOYSA-N 0 1 323.780 2.614 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2nnc[nH]2)c1O ZINC000182703600 518284641 /nfs/dbraw/zinc/28/46/41/518284641.db2.gz ARQBBKMHOBTSRC-CQSZACIVSA-N 0 1 318.352 2.579 20 10 DFCDMN CC[N@H+](CCCCO)Cc1cc(Br)ccc1[O-] ZINC000266561188 521004009 /nfs/dbraw/zinc/00/40/09/521004009.db2.gz NAPZXYKYSFYARU-UHFFFAOYSA-N 0 1 302.212 2.749 20 10 DFCDMN CC[N@@H+](CCCCO)Cc1cc(Br)ccc1[O-] ZINC000266561188 521004015 /nfs/dbraw/zinc/00/40/15/521004015.db2.gz NAPZXYKYSFYARU-UHFFFAOYSA-N 0 1 302.212 2.749 20 10 DFCDMN Cc1cccc(CN2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000179880001 524398241 /nfs/dbraw/zinc/39/82/41/524398241.db2.gz HUCWOXIPXDIIHY-UHFFFAOYSA-N 0 1 316.445 2.925 20 10 DFCDMN COc1ccc(N2CCN(CCc3csc(C)n3)CC2)cc1 ZINC000163445926 524427955 /nfs/dbraw/zinc/42/79/55/524427955.db2.gz IZXDQSOPICLGFA-UHFFFAOYSA-N 0 1 317.458 2.825 20 10 DFCDMN COc1ccc(O)c([C@@H](C)NCc2cn3ccsc3n2)c1 ZINC000182464849 524765297 /nfs/dbraw/zinc/76/52/97/524765297.db2.gz QSIAGCTVWBNMKS-SNVBAGLBSA-N 0 1 303.387 2.961 20 10 DFCDMN Cc1nsc(N2CCN(Cc3cccc(Cl)c3O)CC2)n1 ZINC000180449054 526712374 /nfs/dbraw/zinc/71/23/74/526712374.db2.gz BPEBSECNUNTPCQ-UHFFFAOYSA-N 0 1 324.837 2.528 20 10 DFCDMN Cc1nsc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000180449054 526712379 /nfs/dbraw/zinc/71/23/79/526712379.db2.gz BPEBSECNUNTPCQ-UHFFFAOYSA-N 0 1 324.837 2.528 20 10 DFCDMN O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cccc(Cl)c1O ZINC000365162820 526983953 /nfs/dbraw/zinc/98/39/53/526983953.db2.gz VVWDJGBYCSTAIX-JSGCOSHPSA-N 0 1 309.793 2.616 20 10 DFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)[C@@]12CCCO2 ZINC000273662454 535409017 /nfs/dbraw/zinc/40/90/17/535409017.db2.gz YEFDCZCVWPETBP-OAGGEKHMSA-N 0 1 311.809 2.862 20 10 DFCDMN COC[C@@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000831665906 601373584 /nfs/dbraw/zinc/37/35/84/601373584.db2.gz CINROSDSUHQXHM-ZDUSSCGKSA-N 0 1 315.369 2.854 20 10 DFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1C ZINC000830121504 604023363 /nfs/dbraw/zinc/02/33/63/604023363.db2.gz CSJXTUGVXUCCEC-UONOGXRCSA-N 0 1 306.406 2.877 20 10 DFCDMN COc1ccc(O)c(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833733597 605546679 /nfs/dbraw/zinc/54/66/79/605546679.db2.gz LATCNELNKZKLGI-UHFFFAOYSA-N 0 1 313.353 2.657 20 10 DFCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000092740482 398597454 /nfs/dbraw/zinc/59/74/54/398597454.db2.gz DVQRACKXPBJDEO-AWEZNQCLSA-N 0 1 315.392 2.908 20 10 DFCDMN CC[C@H]([NH2+]CC[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000085981942 192542190 /nfs/dbraw/zinc/54/21/90/192542190.db2.gz NCWOTFGSODOGFL-CABZTGNLSA-N 0 1 302.212 2.966 20 10 DFCDMN CN(CC(=O)N1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000052686760 398849161 /nfs/dbraw/zinc/84/91/61/398849161.db2.gz OBNNNTHVDKQCCY-UHFFFAOYSA-N 0 1 315.461 2.731 20 10 DFCDMN C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365901 299387651 /nfs/dbraw/zinc/38/76/51/299387651.db2.gz FBBWTXYCZDQSEK-NILFDRSVSA-N 0 1 305.378 2.578 20 10 DFCDMN C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365901 299387654 /nfs/dbraw/zinc/38/76/54/299387654.db2.gz FBBWTXYCZDQSEK-NILFDRSVSA-N 0 1 305.378 2.578 20 10 DFCDMN C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(F)c1[O-])C[C@H](C)O2 ZINC000366811528 335019374 /nfs/dbraw/zinc/01/93/74/335019374.db2.gz RAPPCNYAZHFOEM-IGCXYCKISA-N 0 1 309.381 2.690 20 10 DFCDMN CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000042544459 183282755 /nfs/dbraw/zinc/28/27/55/183282755.db2.gz INSANUNAYGSGPU-WCQYABFASA-N 0 1 313.239 2.900 20 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/nfs/dbraw/zinc/39/34/70/131393470.db2.gz HPDNMPWTTFCLKW-ZDUSSCGKSA-N 0 1 307.287 2.811 20 10 DFCDMN CN(C)c1ccc(CNC(=O)CNC2(c3ccccc3)CC2)cc1 ZINC000299563810 132111138 /nfs/dbraw/zinc/11/11/38/132111138.db2.gz GXKKTILDWCZSSX-UHFFFAOYSA-N 0 1 323.440 2.648 20 10 DFCDMN O=C(NCc1ccccc1O)[C@@H]1CCCN1Cc1ccccc1 ZINC000299570203 132111699 /nfs/dbraw/zinc/11/16/99/132111699.db2.gz PJKARAZCIBPMQO-KRWDZBQOSA-N 0 1 310.397 2.673 20 10 DFCDMN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000106908002 425980248 /nfs/dbraw/zinc/98/02/48/425980248.db2.gz LKNUAUAIKOEYDE-QGZVFWFLSA-N 0 1 312.413 2.524 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1O ZINC000164616229 426116143 /nfs/dbraw/zinc/11/61/43/426116143.db2.gz AHEKVZPYELXBSW-SNVBAGLBSA-N 0 1 311.765 2.545 20 10 DFCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1C ZINC000128558157 426122514 /nfs/dbraw/zinc/12/25/14/426122514.db2.gz XPBYRNBSBQOYCH-HNNXBMFYSA-N 0 1 300.406 2.513 20 10 DFCDMN CC(C)C[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132892982 426170919 /nfs/dbraw/zinc/17/09/19/426170919.db2.gz NNNZTAZUMIVIHZ-UHFFFAOYSA-N 0 1 305.205 2.642 20 10 DFCDMN CN(C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000171400103 426188190 /nfs/dbraw/zinc/18/81/90/426188190.db2.gz QYWZGJWEMWKVME-UHFFFAOYSA-N 0 1 303.450 2.633 20 10 DFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000176217220 426361197 /nfs/dbraw/zinc/36/11/97/426361197.db2.gz XEGHAKSOWIETTA-LLVKDONJSA-N 0 1 315.402 2.765 20 10 DFCDMN C[S@](=O)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000154724694 426453363 /nfs/dbraw/zinc/45/33/63/426453363.db2.gz VRYKYYWXPDYIPQ-VGOFRKELSA-N 0 1 315.438 2.831 20 10 DFCDMN C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186541079 426546287 /nfs/dbraw/zinc/54/62/87/426546287.db2.gz ZCKJIFACHFKIGM-GSRNSYJJSA-N 0 1 320.252 2.572 20 10 DFCDMN COc1cc(Cl)cc(CN[C@H](CCO)c2ccco2)c1O ZINC000187528327 426670080 /nfs/dbraw/zinc/67/00/80/426670080.db2.gz RVZBAEXZGQMKBK-GFCCVEGCSA-N 0 1 311.765 2.861 20 10 DFCDMN 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2.798 20 10 DFCDMN O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2[O-])CN1 ZINC000373217873 428523731 /nfs/dbraw/zinc/52/37/31/428523731.db2.gz SJSIXSOXMCJBGE-TZMCWYRMSA-N 0 1 308.809 2.536 20 10 DFCDMN O=C([C@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-])N1CCCC1 ZINC000361050954 428532688 /nfs/dbraw/zinc/53/26/88/428532688.db2.gz IOUDYSHLQAGUJI-OAHLLOKOSA-N 0 1 306.381 2.508 20 10 DFCDMN CCOc1ncnc2c1CN(Cc1cccc(Cl)c1O)CC2 ZINC000362045255 428612940 /nfs/dbraw/zinc/61/29/40/428612940.db2.gz LNYOOQDEPJEYES-UHFFFAOYSA-N 0 1 319.792 2.793 20 10 DFCDMN COc1ccc(O)c(CN2CCC3(C2)Oc2ccccc2O3)c1 ZINC000289986038 274114578 /nfs/dbraw/zinc/11/45/78/274114578.db2.gz BXXJFTPXUHOMOM-UHFFFAOYSA-N 0 1 313.353 2.774 20 10 DFCDMN Cc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2O)n1 ZINC000374285311 428671945 /nfs/dbraw/zinc/67/19/45/428671945.db2.gz YXDOWKNCNZCOOM-HNNXBMFYSA-N 0 1 311.385 2.699 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000374320909 428674618 /nfs/dbraw/zinc/67/46/18/428674618.db2.gz 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314.470 2.871 20 10 DFCDMN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cccc(Cl)c2O)C1 ZINC000190151577 524021912 /nfs/dbraw/zinc/02/19/12/524021912.db2.gz HQBLEJZSGYURIC-WCQYABFASA-N 0 1 323.780 2.699 20 10 DFCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272314001 534903592 /nfs/dbraw/zinc/90/35/92/534903592.db2.gz SDMURDBLNBHURW-LBPRGKRZSA-N 0 1 310.369 2.630 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000131117241 526362636 /nfs/dbraw/zinc/36/26/36/526362636.db2.gz VMYOZIITWXHVCR-CQSZACIVSA-N 0 1 324.852 2.590 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000131117241 526362642 /nfs/dbraw/zinc/36/26/42/526362642.db2.gz VMYOZIITWXHVCR-CQSZACIVSA-N 0 1 324.852 2.590 20 10 DFCDMN Cc1nnc2n1CCC[C@@H]2NCc1c(O)ccc(Cl)c1F ZINC000365144995 526416761 /nfs/dbraw/zinc/41/67/61/526416761.db2.gz HOGMGNWLQPZSCY-NSHDSACASA-N 0 1 310.760 2.709 20 10 DFCDMN C[N@@H+](Cc1cc[nH]n1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737452067 600461403 /nfs/dbraw/zinc/46/14/03/600461403.db2.gz XUAODZNIJBCJEC-UHFFFAOYSA-N 0 1 311.341 2.599 20 10 DFCDMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000827890787 603916070 /nfs/dbraw/zinc/91/60/70/603916070.db2.gz UABIOWIKUHRTPJ-CYBMUJFWSA-N 0 1 322.405 2.579 20 10 DFCDMN CN(C(=O)[O-])[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000827889395 603918853 /nfs/dbraw/zinc/91/88/53/603918853.db2.gz GKQJWOFCRCKKKL-ZDUSSCGKSA-N 0 1 300.358 2.730 20 10 DFCDMN COc1cc(O)c(C[N@@H+](C)C2(C(=O)[O-])CCCCC2)cc1OC ZINC000833730162 605243055 /nfs/dbraw/zinc/24/30/55/605243055.db2.gz YVFYMNZBUPSVJN-UHFFFAOYSA-N 0 1 323.389 2.629 20 10 DFCDMN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000834110646 605562580 /nfs/dbraw/zinc/56/25/80/605562580.db2.gz XLWCDPOPWQFRTR-SWLSCSKDSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])N1CCC[C@@H]1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000834106486 605562878 /nfs/dbraw/zinc/56/28/78/605562878.db2.gz JRPCSPYSWXMUHR-OAHLLOKOSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000834110643 605562940 /nfs/dbraw/zinc/56/29/40/605562940.db2.gz XLWCDPOPWQFRTR-IUODEOHRSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000834106335 605563006 /nfs/dbraw/zinc/56/30/06/605563006.db2.gz JCQATXLTXJUFDK-UKRRQHHQSA-N 0 1 304.390 2.747 20 10 DFCDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000833814185 605601243 /nfs/dbraw/zinc/60/12/43/605601243.db2.gz RPWQEZCWRKVMCX-MNOVXSKESA-N 0 1 312.797 2.914 20 10 DFCDMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1O ZINC000834096302 606063090 /nfs/dbraw/zinc/06/30/90/606063090.db2.gz VQWPYKWWYJJGAZ-OLZOCXBDSA-N 0 1 310.781 2.762 20 10 DFCDMN COc1ccccc1CN(CCO)Cc1ccc(N(C)C)cc1 ZINC000091790036 398546201 /nfs/dbraw/zinc/54/62/01/398546201.db2.gz XQNJZZPXAAWQQO-UHFFFAOYSA-N 0 1 314.429 2.756 20 10 DFCDMN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000093482004 398639442 /nfs/dbraw/zinc/63/94/42/398639442.db2.gz DNYULVDLLRUKEI-ZWNOBZJWSA-N 0 1 314.223 2.890 20 10 DFCDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000093482004 398639444 /nfs/dbraw/zinc/63/94/44/398639444.db2.gz DNYULVDLLRUKEI-ZWNOBZJWSA-N 0 1 314.223 2.890 20 10 DFCDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093482457 398639698 /nfs/dbraw/zinc/63/96/98/398639698.db2.gz PISQMPDBDQCNDO-JOYOIKCWSA-N 0 1 314.769 2.689 20 10 DFCDMN CN(Cc1ccc(N2CCCCC2)cc1)c1ncnc2[nH]cnc21 ZINC000047509842 398751712 /nfs/dbraw/zinc/75/17/12/398751712.db2.gz HUAIENWOZOMHLC-UHFFFAOYSA-N 0 1 322.416 2.980 20 10 DFCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093337597 193234452 /nfs/dbraw/zinc/23/44/52/193234452.db2.gz ADASYQAIEYWZSP-SNVBAGLBSA-N 0 1 314.769 2.812 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020567262 182233232 /nfs/dbraw/zinc/23/32/32/182233232.db2.gz MXOLVDKLMYQBMU-CYBMUJFWSA-N 0 1 305.761 2.975 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CCO)c2ccccc2)c1[O-] ZINC000271817028 129965296 /nfs/dbraw/zinc/96/52/96/129965296.db2.gz VDIPVXPCXSZHIV-KRWDZBQOSA-N 0 1 317.360 2.947 20 10 DFCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@H](O)COCc1ccccc1 ZINC000272328371 130021448 /nfs/dbraw/zinc/02/14/48/130021448.db2.gz VREUESDNAUIQHN-INIZCTEOSA-N 0 1 319.376 2.541 20 10 DFCDMN C[C@@H](NCc1nccn1C)c1cc(Br)ccc1O ZINC000273593471 130142442 /nfs/dbraw/zinc/14/24/42/130142442.db2.gz PYIHRCXMNPIICY-SECBINFHSA-N 0 1 310.195 2.739 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(Br)cc1[O-] ZINC000273618415 130145567 /nfs/dbraw/zinc/14/55/67/130145567.db2.gz YIEJRTOAEFRRFN-VHSXEESVSA-N 0 1 302.212 2.824 20 10 DFCDMN CCc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n[nH]1 ZINC000274645038 130252204 /nfs/dbraw/zinc/25/22/04/130252204.db2.gz LWLYXYTVTCHZIW-UHFFFAOYSA-N 0 1 301.438 2.844 20 10 DFCDMN Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000275713242 130369245 /nfs/dbraw/zinc/36/92/45/130369245.db2.gz YMYOUFHOPLNEOD-BDJLRTHQSA-N 0 1 321.808 2.789 20 10 DFCDMN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000293049073 543019275 /nfs/dbraw/zinc/01/92/75/543019275.db2.gz RIFFAKLBZYXQEB-HZMBPMFUSA-N 0 1 314.223 2.795 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc2ccccc2c1[O-] ZINC000175423194 287033947 /nfs/dbraw/zinc/03/39/47/287033947.db2.gz LZVXUXLZJMQZAM-UKRRQHHQSA-N 0 1 300.402 2.527 20 10 DFCDMN CC[C@@H](O)C[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000076118452 426100407 /nfs/dbraw/zinc/10/04/07/426100407.db2.gz CZKGJTVSDUGLPK-GFCCVEGCSA-N 0 1 302.212 2.748 20 10 DFCDMN CC[C@@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000076118452 426100411 /nfs/dbraw/zinc/10/04/11/426100411.db2.gz CZKGJTVSDUGLPK-GFCCVEGCSA-N 0 1 302.212 2.748 20 10 DFCDMN CC[C@H]([NH2+]CC[C@@H](C)O)c1cc(Br)ccc1[O-] ZINC000085981936 426255564 /nfs/dbraw/zinc/25/55/64/426255564.db2.gz NCWOTFGSODOGFL-SKDRFNHKSA-N 0 1 302.212 2.966 20 10 DFCDMN CC[C@H]([NH2+]C[C@H](C)CO)c1cc(Br)ccc1[O-] ZINC000086623137 426259725 /nfs/dbraw/zinc/25/97/25/426259725.db2.gz FYLGJASQQRIKTI-CABZTGNLSA-N 0 1 302.212 2.824 20 10 DFCDMN CCOC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175673633 426320538 /nfs/dbraw/zinc/32/05/38/426320538.db2.gz FPGREDBTPVYRNW-ZDUSSCGKSA-N 0 1 309.381 2.982 20 10 DFCDMN CCOC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175673633 426320540 /nfs/dbraw/zinc/32/05/40/426320540.db2.gz FPGREDBTPVYRNW-ZDUSSCGKSA-N 0 1 309.381 2.982 20 10 DFCDMN C[S@@](=O)C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000154724355 426453499 /nfs/dbraw/zinc/45/34/99/426453499.db2.gz VRYKYYWXPDYIPQ-JTSKRJEESA-N 0 1 315.438 2.831 20 10 DFCDMN CN(C)c1ccc(CN(C)Cc2cc(C(N)=O)cs2)cc1 ZINC000155185703 426465400 /nfs/dbraw/zinc/46/54/00/426465400.db2.gz YGGYGWGXTCEQOG-UHFFFAOYSA-N 0 1 303.431 2.545 20 10 DFCDMN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280304294 426546522 /nfs/dbraw/zinc/54/65/22/426546522.db2.gz PBVJMKZYUQLSAO-LRDDRELGSA-N 0 1 311.809 2.734 20 10 DFCDMN C[C@H]1CN(Cc2c(O)cccc2Cl)CC2(CCOCC2)O1 ZINC000280449010 426578148 /nfs/dbraw/zinc/57/81/48/426578148.db2.gz LELGJFOUJRCTOM-LBPRGKRZSA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC2(CCOCC2)O1 ZINC000280449010 426578151 /nfs/dbraw/zinc/57/81/51/426578151.db2.gz LELGJFOUJRCTOM-LBPRGKRZSA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC2(CCOCC2)O1 ZINC000280449010 426578153 /nfs/dbraw/zinc/57/81/53/426578153.db2.gz LELGJFOUJRCTOM-LBPRGKRZSA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@@H]1OCC[C@@]12CN(Cc1c(O)cccc1Cl)C[C@@H](C)O2 ZINC000280450441 426579521 /nfs/dbraw/zinc/57/95/21/426579521.db2.gz LFIJVOXVWHCBHU-BFQNTYOBSA-N 0 1 311.809 2.814 20 10 DFCDMN C[C@@H]1OCC[C@@]12C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H](C)O2 ZINC000280450441 426579525 /nfs/dbraw/zinc/57/95/25/426579525.db2.gz LFIJVOXVWHCBHU-BFQNTYOBSA-N 0 1 311.809 2.814 20 10 DFCDMN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H](C)O2 ZINC000280450441 426579528 /nfs/dbraw/zinc/57/95/28/426579528.db2.gz LFIJVOXVWHCBHU-BFQNTYOBSA-N 0 1 311.809 2.814 20 10 DFCDMN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Cl)ccc1[O-] ZINC000281283298 426708990 /nfs/dbraw/zinc/70/89/90/426708990.db2.gz XOWRNMBCNMXBIT-SNVBAGLBSA-N 0 1 317.838 2.664 20 10 DFCDMN COc1cc(O)c(CN(Cc2ccccn2)C2CC2)cc1OC ZINC000290301535 426735794 /nfs/dbraw/zinc/73/57/94/426735794.db2.gz BJWZRGWGAFSPDG-UHFFFAOYSA-N 0 1 314.385 2.969 20 10 DFCDMN CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(O)c1 ZINC000290427434 426763055 /nfs/dbraw/zinc/76/30/55/426763055.db2.gz LESZTPBBHCRWLI-WMLDXEAASA-N 0 1 306.450 2.953 20 10 DFCDMN CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(O)c1 ZINC000290427434 426763060 /nfs/dbraw/zinc/76/30/60/426763060.db2.gz LESZTPBBHCRWLI-WMLDXEAASA-N 0 1 306.450 2.953 20 10 DFCDMN CC1(O)CCN(Cc2cc(Br)ccc2O)CC1 ZINC000179721529 426813547 /nfs/dbraw/zinc/81/35/47/426813547.db2.gz DHJQPUNFKZRUMM-UHFFFAOYSA-N 0 1 300.196 2.502 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1[O-] ZINC000275538428 426867812 /nfs/dbraw/zinc/86/78/12/426867812.db2.gz YHMMDPXMCVUPTR-AWEZNQCLSA-N 0 1 311.809 2.841 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)C(C)(C)C2)c1O ZINC000275538428 426867817 /nfs/dbraw/zinc/86/78/17/426867817.db2.gz YHMMDPXMCVUPTR-AWEZNQCLSA-N 0 1 311.809 2.841 20 10 DFCDMN CCOc1ccc(O)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c1 ZINC000248866956 427056341 /nfs/dbraw/zinc/05/63/41/427056341.db2.gz TWEJGVJLGHGYTD-MJEQTWJJSA-N 0 1 319.401 2.564 20 10 DFCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)n[nH]1 ZINC000276865661 427126773 /nfs/dbraw/zinc/12/67/73/427126773.db2.gz GRAFAGLBGRHQKW-WCBMZHEXSA-N 0 1 318.377 2.529 20 10 DFCDMN Cc1c(CN(Cc2ccccc2O)C[C@H]2CCCO2)cnn1C ZINC000268916472 427137902 /nfs/dbraw/zinc/13/79/02/427137902.db2.gz QHFFDTFHRFDJLI-QGZVFWFLSA-N 0 1 315.417 2.615 20 10 DFCDMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc3c(cc2O)OCO3)n[nH]1 ZINC000277459130 427211087 /nfs/dbraw/zinc/21/10/87/427211087.db2.gz QIYSHLVHHUKXLV-NXEZZACHSA-N 0 1 318.377 2.603 20 10 DFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183406651 427263057 /nfs/dbraw/zinc/26/30/57/427263057.db2.gz MQUPOIVNHBIPMQ-LBPRGKRZSA-N 0 1 306.797 2.549 20 10 DFCDMN CN(C)c1ccc(CN(Cc2cnc3cnccn23)C2CC2)cc1 ZINC000271029099 427379772 /nfs/dbraw/zinc/37/97/72/427379772.db2.gz BRNLEMXGHARHIH-UHFFFAOYSA-N 0 1 321.428 2.960 20 10 DFCDMN Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000278057219 427394485 /nfs/dbraw/zinc/39/44/85/427394485.db2.gz YMMJJAFXECHSNC-INIZCTEOSA-N 0 1 306.450 2.600 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCSCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278319769 427426777 /nfs/dbraw/zinc/42/67/77/427426777.db2.gz FZFZMKFATFOGOS-SNVBAGLBSA-N 0 1 312.391 2.636 20 10 DFCDMN COc1c([O-])c(C[N@@H+](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278247195 427428643 /nfs/dbraw/zinc/42/86/43/427428643.db2.gz OTQOPYRXWNRVAR-UHFFFAOYSA-N 0 1 316.357 2.984 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000294010132 427522220 /nfs/dbraw/zinc/52/22/20/427522220.db2.gz MVIZXPDFNPDBQI-QZTJIDSGSA-N 0 1 303.402 2.934 20 10 DFCDMN CCOc1ccc(O)c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000294010132 427522226 /nfs/dbraw/zinc/52/22/26/427522226.db2.gz MVIZXPDFNPDBQI-QZTJIDSGSA-N 0 1 303.402 2.934 20 10 DFCDMN CN(Cc1ncnn1CC(F)F)Cc1cccc(Cl)c1O ZINC000279056069 427545613 /nfs/dbraw/zinc/54/56/13/427545613.db2.gz PSQUSMCHWHVHDF-UHFFFAOYSA-N 0 1 316.739 2.534 20 10 DFCDMN C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000279128886 427567879 /nfs/dbraw/zinc/56/78/79/427567879.db2.gz QTXFKDWOOYGKAH-ZJUUUORDSA-N 0 1 302.212 2.966 20 10 DFCDMN CCN(CC)c1ccc(CNCc2n[nH]c(C3CC3)n2)cc1F ZINC000294923700 427665761 /nfs/dbraw/zinc/66/57/61/427665761.db2.gz YWQNTPFHQFSJSA-UHFFFAOYSA-N 0 1 317.412 2.957 20 10 DFCDMN O=C(NCCCCC[NH+]1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000294811378 427659598 /nfs/dbraw/zinc/65/95/98/427659598.db2.gz FWQHOJHFYVWTSF-UHFFFAOYSA-N 0 1 324.396 2.623 20 10 DFCDMN CN(C)c1ccc(CN(CC(=O)NC(C)(C)C)C2CC2)cc1 ZINC000298685314 427676690 /nfs/dbraw/zinc/67/66/90/427676690.db2.gz BGSKCBFXARRKMG-UHFFFAOYSA-N 0 1 303.450 2.632 20 10 DFCDMN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(OC)ccc1O ZINC000185682619 427691685 /nfs/dbraw/zinc/69/16/85/427691685.db2.gz WZDHUFHMTJAVJO-RISCZKNCSA-N 0 1 316.405 2.740 20 10 DFCDMN Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C2 ZINC000360256411 428224770 /nfs/dbraw/zinc/22/47/70/428224770.db2.gz ZKFSSSGIHBOYRF-CQSZACIVSA-N 0 1 303.793 2.791 20 10 DFCDMN CCOC(=O)[C@H]1CCCCCN1Cc1cccc(OC)c1O ZINC000371398996 428389153 /nfs/dbraw/zinc/38/91/53/428389153.db2.gz VDRCMINYJVFQIU-CQSZACIVSA-N 0 1 307.390 2.709 20 10 DFCDMN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000371248123 428380461 /nfs/dbraw/zinc/38/04/61/428380461.db2.gz UJHBZAZGKATLBW-UGFHNGPFSA-N 0 1 322.836 2.782 20 10 DFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCc2nccn2C1 ZINC000372544728 428459423 /nfs/dbraw/zinc/45/94/23/428459423.db2.gz LYORPGCPJBSTLW-GFCCVEGCSA-N 0 1 305.809 2.937 20 10 DFCDMN COc1cccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000373227955 428523661 /nfs/dbraw/zinc/52/36/61/428523661.db2.gz LCKSARIYZUQHSN-AWEZNQCLSA-N 0 1 301.390 2.514 20 10 DFCDMN Cc1c(NC(=O)Cc2ccc(N)cc2)[nH]nc1-c1ccncc1 ZINC000361717476 428590087 /nfs/dbraw/zinc/59/00/87/428590087.db2.gz DRPNNQKJRYKCHM-UHFFFAOYSA-N 0 1 307.357 2.544 20 10 DFCDMN [O-]c1c(Cl)cccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362036122 428612166 /nfs/dbraw/zinc/61/21/66/428612166.db2.gz FKGLJJZWJROCQN-IIAWOOMASA-N 0 1 306.837 2.962 20 10 DFCDMN [O-]c1c(Cl)cccc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362036122 428612172 /nfs/dbraw/zinc/61/21/72/428612172.db2.gz FKGLJJZWJROCQN-IIAWOOMASA-N 0 1 306.837 2.962 20 10 DFCDMN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCc3c[nH]nc32)cc1 ZINC000363490800 428929704 /nfs/dbraw/zinc/92/97/04/428929704.db2.gz TXKNCGFUDQQKNN-INIZCTEOSA-N 0 1 312.417 2.554 20 10 DFCDMN CCC(=O)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000365256817 429289592 /nfs/dbraw/zinc/28/95/92/429289592.db2.gz 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CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185331050 333369480 /nfs/dbraw/zinc/36/94/80/333369480.db2.gz DMMRQYQMAPUCQF-GFCCVEGCSA-N 0 1 307.415 2.631 20 10 DFCDMN C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(Br)cc1[O-] ZINC000296579431 335146618 /nfs/dbraw/zinc/14/66/18/335146618.db2.gz UEPIPIWLBKTKQA-UMNHJUIQSA-N 0 1 314.223 2.966 20 10 DFCDMN Oc1ccccc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000271368689 334021750 /nfs/dbraw/zinc/02/17/50/334021750.db2.gz OWJKWPMGQMGULG-BBRMVZONSA-N 0 1 305.324 2.978 20 10 DFCDMN CN(C)c1ccc(CN2CCC(CO)CC2)c(C(F)(F)F)c1 ZINC000279654359 334110887 /nfs/dbraw/zinc/11/08/87/334110887.db2.gz NBANCCPDQOJIAR-UHFFFAOYSA-N 0 1 316.367 2.976 20 10 DFCDMN CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C)cc1O ZINC000366859334 335221654 /nfs/dbraw/zinc/22/16/54/335221654.db2.gz TZOOYGPUAWFXAS-UXLLHSPISA-N 0 1 304.434 2.605 20 10 DFCDMN CN(C)c1ccc(C2=CCN(C[C@](C)(O)C(F)(F)F)C2)cc1 ZINC000375615243 337014741 /nfs/dbraw/zinc/01/47/41/337014741.db2.gz 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PTVVNIPFDSNELB-ZDUSSCGKSA-N 0 1 307.312 2.536 20 10 DFCDMN CCS(=O)(=O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000163460562 521644276 /nfs/dbraw/zinc/64/42/76/521644276.db2.gz FSUXYAVJGGYLFN-OAHLLOKOSA-N 0 1 324.490 2.762 20 10 DFCDMN CCNC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268720448 521745645 /nfs/dbraw/zinc/74/56/45/521745645.db2.gz KNTHWLYJIDDBAD-KGLIPLIRSA-N 0 1 321.440 2.991 20 10 DFCDMN CN(C(=O)C[NH2+]Cc1c([O-])cccc1Cl)C1CCCCC1 ZINC000267125691 523826462 /nfs/dbraw/zinc/82/64/62/523826462.db2.gz UWMZMBBWIXMGBH-UHFFFAOYSA-N 0 1 310.825 2.926 20 10 DFCDMN Cc1cc(CN2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000179609115 524696653 /nfs/dbraw/zinc/69/66/53/524696653.db2.gz XGEHRLAVPYSVJQ-UHFFFAOYSA-N 0 1 321.808 2.660 20 10 DFCDMN CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000272215620 534809980 /nfs/dbraw/zinc/80/99/80/534809980.db2.gz BBPXBTXRPCADGA-UHFFFAOYSA-N 0 1 324.396 2.974 20 10 DFCDMN Cc1cc(Cl)cc(CN2CCOC3(CCOCC3)C2)c1O ZINC000180699536 524867127 /nfs/dbraw/zinc/86/71/27/524867127.db2.gz ZJOOLFHFCCMVHM-UHFFFAOYSA-N 0 1 311.809 2.735 20 10 DFCDMN Cc1ccc(O)c(CN2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000179980419 525342945 /nfs/dbraw/zinc/34/29/45/525342945.db2.gz IYBXSXHIWJXIBZ-UHFFFAOYSA-N 0 1 324.424 2.588 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCOCC(F)F ZINC000190894229 526341453 /nfs/dbraw/zinc/34/14/53/526341453.db2.gz KWKMMVBEEWUWRA-UHFFFAOYSA-N 0 1 310.138 2.526 20 10 DFCDMN O=C1NCCN(Cc2cccc(Cl)c2O)[C@@H]1c1ccccc1 ZINC000179921513 527068113 /nfs/dbraw/zinc/06/81/13/527068113.db2.gz XMSBGHMVNNSMMN-OAHLLOKOSA-N 0 1 316.788 2.719 20 10 DFCDMN COC[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737752142 600559226 /nfs/dbraw/zinc/55/92/26/600559226.db2.gz SLKHFFWNSYFOLA-LBPRGKRZSA-N 0 1 315.369 2.712 20 10 DFCDMN COc1ccc2ccc(O)c(C[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000832504728 601814692 /nfs/dbraw/zinc/81/46/92/601814692.db2.gz VDZMJVRWOLDJHE-XHDPSFHLSA-N 0 1 315.369 2.707 20 10 DFCDMN C[C@@H]1COCCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000828508299 604774069 /nfs/dbraw/zinc/77/40/69/604774069.db2.gz BCWMUOUQDLIAGP-GFCCVEGCSA-N 0 1 315.369 2.854 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1O ZINC000833401633 604969084 /nfs/dbraw/zinc/96/90/84/604969084.db2.gz ZFDQAZTUZWAEET-LBPRGKRZSA-N 0 1 311.765 2.687 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1O ZINC000833401632 604969328 /nfs/dbraw/zinc/96/93/28/604969328.db2.gz ZFDQAZTUZWAEET-GFCCVEGCSA-N 0 1 311.765 2.687 20 10 DFCDMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC000834096236 605945618 /nfs/dbraw/zinc/94/56/18/605945618.db2.gz ULPMNKBUQIMEKV-CVEARBPZSA-N 0 1 316.401 2.598 20 10 DFCDMN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000106908001 282181516 /nfs/dbraw/zinc/18/15/16/282181516.db2.gz LKNUAUAIKOEYDE-KRWDZBQOSA-N 0 1 312.413 2.524 20 10 DFCDMN C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000089629026 192829418 /nfs/dbraw/zinc/82/94/18/192829418.db2.gz KSESJBWVOYNXQG-CYBMUJFWSA-N 0 1 312.479 2.617 20 10 DFCDMN C[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185375689 296148687 /nfs/dbraw/zinc/14/86/87/296148687.db2.gz GIQHOBGYYKDGGP-YNEHKIRRSA-N 0 1 312.841 2.805 20 10 DFCDMN COc1ccc([C@@H](CO)[N@@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC000272214325 130008684 /nfs/dbraw/zinc/00/86/84/130008684.db2.gz AZCSMRKMBFXKHL-MRXNPFEDSA-N 0 1 305.349 2.705 20 10 DFCDMN C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000273081465 130088299 /nfs/dbraw/zinc/08/82/99/130088299.db2.gz MKVAHHOGPMEKOD-SNVBAGLBSA-N 0 1 324.222 2.782 20 10 DFCDMN C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365899 130112989 /nfs/dbraw/zinc/11/29/89/130112989.db2.gz FBBWTXYCZDQSEK-GLQYFDAESA-N 0 1 305.378 2.578 20 10 DFCDMN C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365899 130112991 /nfs/dbraw/zinc/11/29/91/130112991.db2.gz FBBWTXYCZDQSEK-GLQYFDAESA-N 0 1 305.378 2.578 20 10 DFCDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000273489187 130128186 /nfs/dbraw/zinc/12/81/86/130128186.db2.gz NTXZDXXXSOVSON-KOLCDFICSA-N 0 1 304.350 2.614 20 10 DFCDMN C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273502158 130129221 /nfs/dbraw/zinc/12/92/21/130129221.db2.gz QKHXAEQKFJGGLC-SJCJKPOMSA-N 0 1 311.385 2.663 20 10 DFCDMN C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1nncn1C ZINC000273558493 130137189 /nfs/dbraw/zinc/13/71/89/130137189.db2.gz HLMANNACZNDTDH-VXGBXAGGSA-N 0 1 300.406 2.811 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(F)ccc1[O-] ZINC000273602532 130142789 /nfs/dbraw/zinc/14/27/89/130142789.db2.gz SECXBYMEDCUNNA-SGMGOOAPSA-N 0 1 308.397 2.829 20 10 DFCDMN Cc1cc(Cl)cc(CN[C@@H](c2nncn2C)C(C)C)c1O ZINC000289070392 131356680 /nfs/dbraw/zinc/35/66/80/131356680.db2.gz AEIWXGRMPLWOPD-CYBMUJFWSA-N 0 1 308.813 2.969 20 10 DFCDMN CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000289547665 131395580 /nfs/dbraw/zinc/39/55/80/131395580.db2.gz IININJHICSAMFU-ZDUSSCGKSA-N 0 1 310.369 2.584 20 10 DFCDMN Cc1nnsc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000293772951 543021729 /nfs/dbraw/zinc/02/17/29/543021729.db2.gz SUYZADSEJJPPGT-LBPRGKRZSA-N 0 1 318.446 2.534 20 10 DFCDMN COC1CCN(c2ccc(CN3[C@@H](C)COC[C@@H]3C)cc2)CC1 ZINC000294928847 292170401 /nfs/dbraw/zinc/17/04/01/292170401.db2.gz IWVUGRLTKGVKNX-HOTGVXAUSA-N 0 1 318.461 2.911 20 10 DFCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000282247138 286059166 /nfs/dbraw/zinc/05/91/66/286059166.db2.gz JJJGIZXKQJBZKC-CABZTGNLSA-N 0 1 314.769 2.953 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(Cl)ccc1[O-] ZINC000297488608 227235173 /nfs/dbraw/zinc/23/51/73/227235173.db2.gz ZVAVYMFMOLMANP-GXTWGEPZSA-N 0 1 312.841 2.543 20 10 DFCDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)on1 ZINC000125494429 425975257 /nfs/dbraw/zinc/97/52/57/425975257.db2.gz VTMXADPTSONILX-AWEZNQCLSA-N 0 1 301.390 2.670 20 10 DFCDMN Cc1nc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)sc1C ZINC000109773167 426032277 /nfs/dbraw/zinc/03/22/77/426032277.db2.gz XBJBYJBEIZAOBQ-LLVKDONJSA-N 0 1 319.430 2.925 20 10 DFCDMN C[C@@H]1Cc2ccccc2N1C(=O)CN(C)Cc1ccccc1O ZINC000109771036 426032640 /nfs/dbraw/zinc/03/26/40/426032640.db2.gz HLSOMRIPCUMEOP-CQSZACIVSA-N 0 1 310.397 2.802 20 10 DFCDMN C[C@H](C1CC1)N(C(=O)CN(C)Cc1ccccc1O)C1CC1 ZINC000111236196 426039032 /nfs/dbraw/zinc/03/90/32/426039032.db2.gz WQCGULARRFTMML-CYBMUJFWSA-N 0 1 302.418 2.614 20 10 DFCDMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)Cc1ccccc1O ZINC000111235793 426039739 /nfs/dbraw/zinc/03/97/39/426039739.db2.gz KWUCXQXLISVCIH-ZBFHGGJFSA-N 0 1 304.434 2.861 20 10 DFCDMN O=C(CC[NH2+]Cc1c([O-])cccc1Cl)NC1CCCCC1 ZINC000113325732 426111352 /nfs/dbraw/zinc/11/13/52/426111352.db2.gz VGAZFQMKTIGHTO-UHFFFAOYSA-N 0 1 310.825 2.974 20 10 DFCDMN COc1ccc(N2CCN(C[C@@H]3CCCCO3)CC2)cc1F ZINC000084866357 426246261 /nfs/dbraw/zinc/24/62/61/426246261.db2.gz MMVZYLFJKBSVBO-HNNXBMFYSA-N 0 1 308.397 2.525 20 10 DFCDMN COCCN(Cc1ccc(C)o1)Cc1cccc(OC)c1O ZINC000093707243 426358121 /nfs/dbraw/zinc/35/81/21/426358121.db2.gz TXHBEUHEQAUMAH-UHFFFAOYSA-N 0 1 305.374 2.951 20 10 DFCDMN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093899194 426360279 /nfs/dbraw/zinc/36/02/79/426360279.db2.gz JCPLHKXDHXWJAQ-MRVPVSSYSA-N 0 1 305.205 2.513 20 10 DFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176217202 426361357 /nfs/dbraw/zinc/36/13/57/426361357.db2.gz XEGHAKSOWIETTA-NSHDSACASA-N 0 1 315.402 2.765 20 10 DFCDMN CCN(CC(=O)Nc1ccccc1OC)Cc1ccccc1O ZINC000154870326 426458997 /nfs/dbraw/zinc/45/89/97/426458997.db2.gz NAZWWNAKEQXNRK-UHFFFAOYSA-N 0 1 314.385 2.861 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000280187769 426517593 /nfs/dbraw/zinc/51/75/93/426517593.db2.gz CYNHWZMUDKXISB-LBPRGKRZSA-N 0 1 316.367 2.976 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000289639358 426670237 /nfs/dbraw/zinc/67/02/37/426670237.db2.gz PXKCCJIMFCIHOX-CYBMUJFWSA-N 0 1 314.223 2.795 20 10 DFCDMN CCCOc1ccc(CN2CCO[C@]3(CCCOC3)C2)c(O)c1 ZINC000289662658 426670357 /nfs/dbraw/zinc/67/03/57/426670357.db2.gz YRGPBNMGNYAENT-GOSISDBHSA-N 0 1 321.417 2.562 20 10 DFCDMN CC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289702119 426672995 /nfs/dbraw/zinc/67/29/95/426672995.db2.gz GDYIKUUURLLVOK-UHFFFAOYSA-N 0 1 317.345 2.726 20 10 DFCDMN CC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289702119 426672999 /nfs/dbraw/zinc/67/29/99/426672999.db2.gz GDYIKUUURLLVOK-UHFFFAOYSA-N 0 1 317.345 2.726 20 10 DFCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000273489183 426673173 /nfs/dbraw/zinc/67/31/73/426673173.db2.gz NTXZDXXXSOVSON-GXSJLCMTSA-N 0 1 304.350 2.614 20 10 DFCDMN COc1cccc(CN2CCCC[C@H]2c2ccnn2C)c1O ZINC000281197256 426704675 /nfs/dbraw/zinc/70/46/75/426704675.db2.gz ITQQDZXRFNZZCA-HNNXBMFYSA-N 0 1 301.390 2.862 20 10 DFCDMN COc1ccc(O)c([C@@H](C)NCc2ccc(OC)nc2OC)c1 ZINC000290170992 426708451 /nfs/dbraw/zinc/70/84/51/426708451.db2.gz MRGROLTXHXNILT-LLVKDONJSA-N 0 1 318.373 2.664 20 10 DFCDMN CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(O)c1 ZINC000290427432 426761595 /nfs/dbraw/zinc/76/15/95/426761595.db2.gz LESZTPBBHCRWLI-RHSMWYFYSA-N 0 1 306.450 2.953 20 10 DFCDMN CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(O)c1 ZINC000290427432 426761599 /nfs/dbraw/zinc/76/15/99/426761599.db2.gz LESZTPBBHCRWLI-RHSMWYFYSA-N 0 1 306.450 2.953 20 10 DFCDMN Oc1ccccc1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000179577409 426801519 /nfs/dbraw/zinc/80/15/19/426801519.db2.gz HBMLJXSMNKUDIF-UHFFFAOYSA-N 0 1 317.820 2.758 20 10 DFCDMN COCCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295248033 426876054 /nfs/dbraw/zinc/87/60/54/426876054.db2.gz FRQUSAJMACOSLH-LLVKDONJSA-N 0 1 317.788 2.670 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](n3cccn3)C2)c1[O-] ZINC000291259017 426881402 /nfs/dbraw/zinc/88/14/02/426881402.db2.gz MTKJAFMYQQODCC-LBPRGKRZSA-N 0 1 322.752 2.597 20 10 DFCDMN CCN(CC)c1ccc(CN2CCOC[C@H]2CCOC)cc1 ZINC000291351843 426882332 /nfs/dbraw/zinc/88/23/32/426882332.db2.gz XICXTWVUBNUPGZ-GOSISDBHSA-N 0 1 306.450 2.770 20 10 DFCDMN CCc1nc(CNCc2ccc(N(CC)CC)c(F)c2)n[nH]1 ZINC000295988978 427037183 /nfs/dbraw/zinc/03/71/83/427037183.db2.gz KBMKIAKEHCKVNW-UHFFFAOYSA-N 0 1 305.401 2.642 20 10 DFCDMN COC1CCN(c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000296455681 427183207 /nfs/dbraw/zinc/18/32/07/427183207.db2.gz JAQZIIHUUPYNIE-HZPDHXFCSA-N 0 1 318.461 2.911 20 10 DFCDMN CC(C)(C[C@H]1CCC[N@H+]([C@@H]2CCc3cccc(O)c32)C1)C(N)=O ZINC000296558672 427225304 /nfs/dbraw/zinc/22/53/04/427225304.db2.gz SCACMESTGRIGPE-UKRRQHHQSA-N 0 1 316.445 2.993 20 10 DFCDMN CC(C)C(=O)NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000271052486 427389043 /nfs/dbraw/zinc/38/90/43/427389043.db2.gz QKAPLCNHJVYDOY-UHFFFAOYSA-N 0 1 310.825 2.782 20 10 DFCDMN COC[C@@H]1CCN1Cc1cc(Br)cc(C)c1O ZINC000293678776 427404434 /nfs/dbraw/zinc/40/44/34/427404434.db2.gz PNANYVADMRVCTJ-LBPRGKRZSA-N 0 1 300.196 2.684 20 10 DFCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000278223452 427424753 /nfs/dbraw/zinc/42/47/53/427424753.db2.gz LULJKRJZYPRMIU-SNVBAGLBSA-N 0 1 314.407 2.882 20 10 DFCDMN CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCS1 ZINC000278223388 427425542 /nfs/dbraw/zinc/42/55/42/427425542.db2.gz LRZZCNFHAGORCT-LLVKDONJSA-N 0 1 312.391 2.636 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCS1 ZINC000278223388 427425546 /nfs/dbraw/zinc/42/55/46/427425546.db2.gz LRZZCNFHAGORCT-LLVKDONJSA-N 0 1 312.391 2.636 20 10 DFCDMN CN(C)c1ccc(CN[C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000293796675 427439672 /nfs/dbraw/zinc/43/96/72/427439672.db2.gz QYINOAQUBVROLV-OAHLLOKOSA-N 0 1 313.430 2.811 20 10 DFCDMN C[C@@](N)(C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000192520082 427557061 /nfs/dbraw/zinc/55/70/61/427557061.db2.gz FKGGXDQBLKGFFN-FQEVSTJZSA-N 0 1 323.440 2.777 20 10 DFCDMN Cc1ccc(O)c([C@H](C)NCc2nnc3n2CCCCC3)c1 ZINC000184877645 427558894 /nfs/dbraw/zinc/55/88/94/427558894.db2.gz VPBLLHWTUVMPRQ-ZDUSSCGKSA-N 0 1 300.406 2.869 20 10 DFCDMN C[C@H]([NH2+]Cc1ccnn1C)c1ccc(Br)cc1[O-] ZINC000184996462 427574757 /nfs/dbraw/zinc/57/47/57/427574757.db2.gz RPLYDQQSZOBZCP-VIFPVBQESA-N 0 1 310.195 2.739 20 10 DFCDMN CCc1nn(C)c(OC)c1CNCc1c(O)cccc1Cl ZINC000271608205 427581928 /nfs/dbraw/zinc/58/19/28/427581928.db2.gz ZNEKQTLAHGWIAH-UHFFFAOYSA-N 0 1 309.797 2.640 20 10 DFCDMN CC(C)c1nnc2n1C[C@H]([NH2+]Cc1c([O-])cccc1Cl)CC2 ZINC000271839486 427591857 /nfs/dbraw/zinc/59/18/57/427591857.db2.gz GQFYDZXPWYUBAE-LLVKDONJSA-N 0 1 320.824 2.865 20 10 DFCDMN C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000185113356 427595899 /nfs/dbraw/zinc/59/58/99/427595899.db2.gz GUIAYHUADYACML-VIFPVBQESA-N 0 1 310.195 2.739 20 10 DFCDMN C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(Br)cc1[O-] ZINC000185387068 427643758 /nfs/dbraw/zinc/64/37/58/427643758.db2.gz JCYAWWVVRREQKT-ONGXEEELSA-N 0 1 300.196 2.984 20 10 DFCDMN CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185389882 427644933 /nfs/dbraw/zinc/64/49/33/427644933.db2.gz ZHXISQRNUNGGJL-ZANVPECISA-N 0 1 302.212 2.966 20 10 DFCDMN CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185437175 427651911 /nfs/dbraw/zinc/65/19/11/427651911.db2.gz MKUZHCUSQHFCAA-GXSJLCMTSA-N 0 1 302.212 2.966 20 10 DFCDMN C[C@@H](CCCCO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000294994556 427668273 /nfs/dbraw/zinc/66/82/73/427668273.db2.gz HXRNXTVTOUULSS-JTQLQIEISA-N 0 1 302.212 2.795 20 10 DFCDMN Cc1ccccc1[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000294932581 427666371 /nfs/dbraw/zinc/66/63/71/427666371.db2.gz DFOHKGIWYDIFEW-LJQANCHMSA-N 0 1 323.440 2.694 20 10 DFCDMN C=Cn1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000193605455 427699490 /nfs/dbraw/zinc/69/94/90/427699490.db2.gz RLIOTGFCLVHGND-KRWDZBQOSA-N 0 1 313.401 2.870 20 10 DFCDMN CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(Cl)c1[O-] ZINC000287896186 427711781 /nfs/dbraw/zinc/71/17/81/427711781.db2.gz ZHUOGXWZSJGPKZ-DOMZBBRYSA-N 0 1 312.841 2.543 20 10 DFCDMN C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2ccccc2c1[O-] ZINC000185993974 427739491 /nfs/dbraw/zinc/73/94/91/427739491.db2.gz JHWJVZSMCOUNCC-TZMCWYRMSA-N 0 1 308.385 2.803 20 10 DFCDMN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000186109343 427748516 /nfs/dbraw/zinc/74/85/16/427748516.db2.gz QVRBQODLCAUXQH-JQWIXIFHSA-N 0 1 311.813 2.500 20 10 DFCDMN CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000370073470 428128800 /nfs/dbraw/zinc/12/88/00/428128800.db2.gz OMRLSAIOVFSBMU-ZDUSSCGKSA-N 0 1 304.369 2.522 20 10 DFCDMN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000371422981 428389808 /nfs/dbraw/zinc/38/98/08/428389808.db2.gz HZIAMNJFVVDMAI-GDLCADMTSA-N 0 1 308.809 2.664 20 10 DFCDMN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000373633876 428624512 /nfs/dbraw/zinc/62/45/12/428624512.db2.gz COZATCGHTQTSCX-KSSFIOAISA-N 0 1 321.417 2.561 20 10 DFCDMN CN(C)c1ccc(C2=CCN([C@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000374325656 428673535 /nfs/dbraw/zinc/67/35/35/428673535.db2.gz PVBVPMVUJXAPHT-IBGZPJMESA-N 0 1 321.424 2.678 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000367457445 429652390 /nfs/dbraw/zinc/65/23/90/429652390.db2.gz GMVWCRDMSDNXJU-HZPDHXFCSA-N 0 1 307.365 2.877 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000367457445 429652393 /nfs/dbraw/zinc/65/23/93/429652393.db2.gz GMVWCRDMSDNXJU-HZPDHXFCSA-N 0 1 307.365 2.877 20 10 DFCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1[C@H](CC)c1ccccc1O ZINC000367297967 429614153 /nfs/dbraw/zinc/61/41/53/429614153.db2.gz AUKLULRWVWGVGN-SQWLQELKSA-N 0 1 321.417 2.886 20 10 DFCDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000367702077 429703704 /nfs/dbraw/zinc/70/37/04/429703704.db2.gz LXQVCOCTYWFRIH-SNVBAGLBSA-N 0 1 309.772 2.908 20 10 DFCDMN Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000368717031 429890226 /nfs/dbraw/zinc/89/02/26/429890226.db2.gz WXAIYZRPPSULCV-ZDUSSCGKSA-N 0 1 303.381 2.720 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1O ZINC000530207186 301028830 /nfs/dbraw/zinc/02/88/30/301028830.db2.gz POVFNLSFXSMOFZ-OAHLLOKOSA-N 0 1 311.765 2.687 20 10 DFCDMN CCOc1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000293959118 335116264 /nfs/dbraw/zinc/11/62/64/335116264.db2.gz JGECIFHKCPBXDX-ROUUACIJSA-N 0 1 303.402 2.934 20 10 DFCDMN CCOc1cccc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000293959118 335116266 /nfs/dbraw/zinc/11/62/66/335116266.db2.gz JGECIFHKCPBXDX-ROUUACIJSA-N 0 1 303.402 2.934 20 10 DFCDMN C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(Br)cc1[O-] ZINC000185689784 333211917 /nfs/dbraw/zinc/21/19/17/333211917.db2.gz HHXIIFLNYUHBFR-VHSXEESVSA-N 0 1 302.212 2.966 20 10 DFCDMN COC[C@H]1CCCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000364124381 333241999 /nfs/dbraw/zinc/24/19/99/333241999.db2.gz GGQQTUQTCOYMIQ-ZDUSSCGKSA-N 0 1 309.381 2.982 20 10 DFCDMN COC[C@H]1CCCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000364124381 333242000 /nfs/dbraw/zinc/24/20/00/333242000.db2.gz 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C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(Br)cc1[O-] ZINC000189322055 525421572 /nfs/dbraw/zinc/42/15/72/525421572.db2.gz VXNBFVKLCMMWKZ-NHCYSSNCSA-N 0 1 314.223 2.966 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCOCC1CC1 ZINC000224527895 526342506 /nfs/dbraw/zinc/34/25/06/526342506.db2.gz LNYYWODFGVJAIP-UHFFFAOYSA-N 0 1 300.196 2.671 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365940052 526346447 /nfs/dbraw/zinc/34/64/47/526346447.db2.gz GEIAJGSKTWORJK-UHFFFAOYSA-N 0 1 319.792 2.879 20 10 DFCDMN O=C(CC[NH2+]Cc1c([O-])cccc1Cl)N1CCCCCC1 ZINC000113331481 526511683 /nfs/dbraw/zinc/51/16/83/526511683.db2.gz UJWWILPJXCLYQC-UHFFFAOYSA-N 0 1 310.825 2.928 20 10 DFCDMN O=C1CCCN1C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000132007560 526973948 /nfs/dbraw/zinc/97/39/48/526973948.db2.gz KPIXFKUVWCFBQB-UHFFFAOYSA-N 0 1 308.809 2.632 20 10 DFCDMN O=C([O-])C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000819379786 597045049 /nfs/dbraw/zinc/04/50/49/597045049.db2.gz ATEDFRYTPCUBCL-LBPRGKRZSA-N 0 1 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CCOC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000019231430 182109752 /nfs/dbraw/zinc/10/97/52/182109752.db2.gz YVIFSLLVAZZZRA-UHFFFAOYSA-N 0 1 312.797 2.756 20 10 DFCDMN CCN1CCN(c2ccc(CNC(=O)C=C(C)C)cc2F)CC1 ZINC000106702436 194245251 /nfs/dbraw/zinc/24/52/51/194245251.db2.gz CHIVFULTGRUVQN-UHFFFAOYSA-N 0 1 319.424 2.550 20 10 DFCDMN CCCOc1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(O)c1 ZINC000272696276 130054538 /nfs/dbraw/zinc/05/45/38/130054538.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 0 1 304.434 2.707 20 10 DFCDMN CCCOc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(O)c1 ZINC000272696276 130054540 /nfs/dbraw/zinc/05/45/40/130054540.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 0 1 304.434 2.707 20 10 DFCDMN CN(C)C(=O)CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000272739401 130059953 /nfs/dbraw/zinc/05/99/53/130059953.db2.gz AUOUPBAJAZOTFJ-UHFFFAOYSA-N 0 1 310.825 2.736 20 10 DFCDMN Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c(O)c1O ZINC000272815744 130066492 /nfs/dbraw/zinc/06/64/92/130066492.db2.gz 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[O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000120580108 426312098 /nfs/dbraw/zinc/31/20/98/426312098.db2.gz WHDCJOSFJIONHJ-GFCCVEGCSA-N 0 1 303.793 2.809 20 10 DFCDMN c1cc(N2CCOCC2)ccc1CN1CCOC2(CCCC2)C1 ZINC000093589009 426356181 /nfs/dbraw/zinc/35/61/81/426356181.db2.gz PZYTWUBQRISJHG-UHFFFAOYSA-N 0 1 316.445 2.668 20 10 DFCDMN Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)c(O)c1O ZINC000177660453 426502399 /nfs/dbraw/zinc/50/23/99/426502399.db2.gz ZFTBUDKFAADHKN-GFCCVEGCSA-N 0 1 320.414 2.500 20 10 DFCDMN COc1cc(Cl)cc(CNCc2cccnc2OC)c1O ZINC000228670897 426634479 /nfs/dbraw/zinc/63/44/79/426634479.db2.gz QMFNAUGDOLHHIZ-UHFFFAOYSA-N 0 1 308.765 2.748 20 10 DFCDMN COc1cc(Cl)cc(CN[C@@H](c2nncn2C)C(C)C)c1O ZINC000289683049 426673848 /nfs/dbraw/zinc/67/38/48/426673848.db2.gz ZTLBLWMBDNWVKC-CYBMUJFWSA-N 0 1 324.812 2.670 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289960370 426677251 /nfs/dbraw/zinc/67/72/51/426677251.db2.gz ZBXAOZXPPJLFRA-MNOVXSKESA-N 0 1 307.287 2.524 20 10 DFCDMN C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(Br)cc1[O-] ZINC000289982835 426679465 /nfs/dbraw/zinc/67/94/65/426679465.db2.gz XZXWGIRJELBUED-VIFPVBQESA-N 0 1 310.195 2.771 20 10 DFCDMN C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Cl)ccc1[O-] ZINC000281184253 426705068 /nfs/dbraw/zinc/70/50/68/426705068.db2.gz XCDAFIMLKQETEG-GIGQVBGESA-N 0 1 301.839 2.997 20 10 DFCDMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)Cc1ccccc1O ZINC000245819861 426774824 /nfs/dbraw/zinc/77/48/24/426774824.db2.gz UUFRWSXUKVITPV-IJEWVQPXSA-N 0 1 304.434 2.907 20 10 DFCDMN C[N@@H+](CCCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000281675714 426742278 /nfs/dbraw/zinc/74/22/78/426742278.db2.gz DSPMHXOAEVVFJZ-UHFFFAOYSA-N 0 1 301.386 2.785 20 10 DFCDMN CCOc1cccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1O ZINC000245719551 426765827 /nfs/dbraw/zinc/76/58/27/426765827.db2.gz DFFWUQXDXWVRIU-HRCADAONSA-N 0 1 321.417 2.559 20 10 DFCDMN Oc1ccccc1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000179586483 426805668 /nfs/dbraw/zinc/80/56/68/426805668.db2.gz ZKTYENABPWFFEU-IEBWSBKVSA-N 0 1 313.397 2.717 20 10 DFCDMN Cc1cc(Cl)cc(CN2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000179726738 426814265 /nfs/dbraw/zinc/81/42/65/426814265.db2.gz HBJSEGBTCTVVLM-AWEZNQCLSA-N 0 1 308.809 2.597 20 10 DFCDMN Cc1cc(Cl)cc(CN2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000179726724 426814967 /nfs/dbraw/zinc/81/49/67/426814967.db2.gz HBJSEGBTCTVVLM-CQSZACIVSA-N 0 1 308.809 2.597 20 10 DFCDMN CC(C)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCOC1 ZINC000291188508 426881523 /nfs/dbraw/zinc/88/15/23/426881523.db2.gz GIWZJVFJJXMKHL-LBPRGKRZSA-N 0 1 314.769 2.953 20 10 DFCDMN CCCOc1ccc(CN2CCC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000317153984 426954717 /nfs/dbraw/zinc/95/47/17/426954717.db2.gz XETXRYFCQLCFBM-INIZCTEOSA-N 0 1 304.434 2.851 20 10 DFCDMN CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268720446 427102008 /nfs/dbraw/zinc/10/20/08/427102008.db2.gz KNTHWLYJIDDBAD-KBPBESRZSA-N 0 1 321.440 2.991 20 10 DFCDMN Cc1c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1C ZINC000268916470 427139668 /nfs/dbraw/zinc/13/96/68/427139668.db2.gz QHFFDTFHRFDJLI-KRWDZBQOSA-N 0 1 315.417 2.615 20 10 DFCDMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(OC)ccc2O)n[nH]1 ZINC000277338048 427170150 /nfs/dbraw/zinc/17/01/50/427170150.db2.gz UVLOTMDADSIXBW-MNOVXSKESA-N 0 1 304.394 2.883 20 10 DFCDMN CCN(CC(N)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296902963 427272108 /nfs/dbraw/zinc/27/21/08/427272108.db2.gz QZYAJFBJRMPWSR-UHFFFAOYSA-N 0 1 317.458 2.692 20 10 DFCDMN CCN(Cc1cnn(C)c1)Cc1cc(Cl)cc(OC)c1O ZINC000184683459 427518273 /nfs/dbraw/zinc/51/82/73/427518273.db2.gz RBXPQTSWXRSDTL-UHFFFAOYSA-N 0 1 309.797 2.810 20 10 DFCDMN C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(Br)cc1[O-] ZINC000184996481 427575824 /nfs/dbraw/zinc/57/58/24/427575824.db2.gz RPLYDQQSZOBZCP-SECBINFHSA-N 0 1 310.195 2.739 20 10 DFCDMN [O-]c1c(Cl)cccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000271758930 427584728 /nfs/dbraw/zinc/58/47/28/427584728.db2.gz DEPSDKRQKLVNJW-UHFFFAOYSA-N 0 1 321.783 2.902 20 10 DFCDMN CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)CC2 ZINC000271839488 427590924 /nfs/dbraw/zinc/59/09/24/427590924.db2.gz GQFYDZXPWYUBAE-NSHDSACASA-N 0 1 320.824 2.865 20 10 DFCDMN COc1nccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000294627968 427645095 /nfs/dbraw/zinc/64/50/95/427645095.db2.gz ZUELXLDVTDLPJE-UHFFFAOYSA-N 0 1 314.433 2.962 20 10 DFCDMN CC(C)(C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1)C(N)=O ZINC000294664607 427650017 /nfs/dbraw/zinc/65/00/17/427650017.db2.gz AKQAOFXSMHMGKT-GFCCVEGCSA-N 0 1 308.397 2.645 20 10 DFCDMN CC(C)[C@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185462813 427657095 /nfs/dbraw/zinc/65/70/95/427657095.db2.gz HLBRAUJNJZJGAG-NOZJJQNGSA-N 0 1 302.212 2.822 20 10 DFCDMN Cc1cc(Cl)cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000279717110 427714620 /nfs/dbraw/zinc/71/46/20/427714620.db2.gz UDFKIQSHPRNRJK-LRDDRELGSA-N 0 1 311.809 2.734 20 10 DFCDMN CC[C@@H](NCc1nnc2n1CCCC2)c1ccc(C)cc1O ZINC000279942907 427726122 /nfs/dbraw/zinc/72/61/22/427726122.db2.gz BHUYDXAIQRQTDN-CQSZACIVSA-N 0 1 300.406 2.869 20 10 DFCDMN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000186109376 427748025 /nfs/dbraw/zinc/74/80/25/427748025.db2.gz QVRBQODLCAUXQH-PWSUYJOCSA-N 0 1 311.813 2.500 20 10 DFCDMN COc1cccc(C[N@H+]2CCCC[C@H]2Cn2cccn2)c1O ZINC000371371615 428386273 /nfs/dbraw/zinc/38/62/73/428386273.db2.gz CLPZPFAZUITGLC-HNNXBMFYSA-N 0 1 301.390 2.652 20 10 DFCDMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cccc(F)c2[O-])C[C@@H](C)O1 ZINC000373112600 428517434 /nfs/dbraw/zinc/51/74/34/428517434.db2.gz MRZUVMBOUSMYPK-IIAWOOMASA-N 0 1 322.424 2.605 20 10 DFCDMN CCCC(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000373223973 428525094 /nfs/dbraw/zinc/52/50/94/428525094.db2.gz NEGSAYWYMATVEJ-UHFFFAOYSA-N 0 1 310.825 2.880 20 10 DFCDMN C[C@@H]1C[C@@]2(CCO1)CN(Cc1cc(F)ccc1O)C[C@H](C)O2 ZINC000373979273 428657048 /nfs/dbraw/zinc/65/70/48/428657048.db2.gz WDZFPLGGDDAATK-IGCXYCKISA-N 0 1 309.381 2.690 20 10 DFCDMN CN(C)c1ccc(CN2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1F ZINC000362617352 428794633 /nfs/dbraw/zinc/79/46/33/428794633.db2.gz OWBJIYKWMMJYNF-QRTARXTBSA-N 0 1 319.424 2.510 20 10 DFCDMN NC(=O)[C@H]1c2ccccc2CCN1Cc1cccc(Cl)c1O ZINC000364901708 429267401 /nfs/dbraw/zinc/26/74/01/429267401.db2.gz YQBCMFQLGWCIFX-OAHLLOKOSA-N 0 1 316.788 2.630 20 10 DFCDMN C[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(Br)ccc1[O-] ZINC000527978265 429830918 /nfs/dbraw/zinc/83/09/18/429830918.db2.gz HCZUYIIBVHRSGD-NAUIOFCNSA-N 0 1 312.207 2.984 20 10 DFCDMN CC[C@@H](c1ccccc1O)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000368795010 429894370 /nfs/dbraw/zinc/89/43/70/429894370.db2.gz DHCCBGLNVYDVPH-AEFFLSMTSA-N 0 1 317.477 2.555 20 10 DFCDMN CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000368795010 429894372 /nfs/dbraw/zinc/89/43/72/429894372.db2.gz DHCCBGLNVYDVPH-AEFFLSMTSA-N 0 1 317.477 2.555 20 10 DFCDMN Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000368978019 429905708 /nfs/dbraw/zinc/90/57/08/429905708.db2.gz NKFIZQLINPKUOR-CQSZACIVSA-N 0 1 302.349 2.888 20 10 DFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000369124397 429914225 /nfs/dbraw/zinc/91/42/25/429914225.db2.gz DRDXLIRVJASQMT-AWEZNQCLSA-N 0 1 314.769 2.691 20 10 DFCDMN C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc2ccccc2c1[O-] ZINC000175423213 279487453 /nfs/dbraw/zinc/48/74/53/279487453.db2.gz LZVXUXLZJMQZAM-ZFWWWQNUSA-N 0 1 300.402 2.527 20 10 DFCDMN Cc1cccc(CN2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191734939 281216881 /nfs/dbraw/zinc/21/68/81/281216881.db2.gz KSCJRCDKNCGDGS-OAHLLOKOSA-N 0 1 303.431 2.724 20 10 DFCDMN C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Br)ccc1[O-] ZINC000185688091 333211760 /nfs/dbraw/zinc/21/17/60/333211760.db2.gz OODFTXXZOBRGIV-VHSXEESVSA-N 0 1 302.212 2.966 20 10 DFCDMN Cc1cncc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000189763067 333262458 /nfs/dbraw/zinc/26/24/58/333262458.db2.gz OHJDEFREMKGFKM-UHFFFAOYSA-N 0 1 311.429 2.859 20 10 DFCDMN COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295177941 335130775 /nfs/dbraw/zinc/13/07/75/335130775.db2.gz VHFLKRNPSQIXHQ-CQSZACIVSA-N 0 1 314.769 2.812 20 10 DFCDMN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186223776 333372279 /nfs/dbraw/zinc/37/22/79/333372279.db2.gz JGFREIDXQVZWLL-LBPRGKRZSA-N 0 1 300.402 2.968 20 10 DFCDMN COC(=O)c1coc([C@H](C)NCc2ccc3c(c2)CCN3C)c1 ZINC000365486323 333407744 /nfs/dbraw/zinc/40/77/44/333407744.db2.gz BKXCPDLWHWJZRL-LBPRGKRZSA-N 0 1 314.385 2.909 20 10 DFCDMN CC(C)(C)c1nnc(NC(=O)c2c(F)ccc(O)c2O)s1 ZINC000276596511 334083281 /nfs/dbraw/zinc/08/32/81/334083281.db2.gz NRBXMNPKYZNLMP-UHFFFAOYSA-N 0 1 311.338 2.638 20 10 DFCDMN C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276631201 334084454 /nfs/dbraw/zinc/08/44/54/334084454.db2.gz WCRKWLPVTUVPSD-LBPRGKRZSA-N 0 1 324.396 2.621 20 10 DFCDMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276631201 334084455 /nfs/dbraw/zinc/08/44/55/334084455.db2.gz WCRKWLPVTUVPSD-LBPRGKRZSA-N 0 1 324.396 2.621 20 10 DFCDMN Cc1cc(CN2CCN(Cc3cccnc3)CC2)ccc1N(C)C ZINC000293706623 334201289 /nfs/dbraw/zinc/20/12/89/334201289.db2.gz DGTKEFJGTMGMGK-UHFFFAOYSA-N 0 1 324.472 2.774 20 10 DFCDMN CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000366859335 335221601 /nfs/dbraw/zinc/22/16/01/335221601.db2.gz TZOOYGPUAWFXAS-VYDXJSESSA-N 0 1 304.434 2.605 20 10 DFCDMN Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C2 ZINC000360256409 336706567 /nfs/dbraw/zinc/70/65/67/336706567.db2.gz ZKFSSSGIHBOYRF-AWEZNQCLSA-N 0 1 303.793 2.791 20 10 DFCDMN C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000377216593 337048851 /nfs/dbraw/zinc/04/88/51/337048851.db2.gz VGLXIQKVXNGWRZ-YJBOKZPZSA-N 0 1 304.434 2.523 20 10 DFCDMN CC[C@H](c1ccccc1O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000377659821 337057879 /nfs/dbraw/zinc/05/78/79/337057879.db2.gz QQUQRDHFYXLCFA-AEFFLSMTSA-N 0 1 310.397 2.928 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000377681978 337058209 /nfs/dbraw/zinc/05/82/09/337058209.db2.gz RSHHTFCEOIQUJW-QGZVFWFLSA-N 0 1 309.381 2.574 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000377681978 337058210 /nfs/dbraw/zinc/05/82/10/337058210.db2.gz RSHHTFCEOIQUJW-QGZVFWFLSA-N 0 1 309.381 2.574 20 10 DFCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377694220 337058721 /nfs/dbraw/zinc/05/87/21/337058721.db2.gz LHYGHPQBYRBIEU-OCCSQVGLSA-N 0 1 315.772 2.565 20 10 DFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCn2ccnc2C1 ZINC000377862803 337062904 /nfs/dbraw/zinc/06/29/04/337062904.db2.gz ZEVJLYAPAIEUEM-GFCCVEGCSA-N 0 1 305.809 2.937 20 10 DFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCn2ccnc2C1 ZINC000377862803 337062905 /nfs/dbraw/zinc/06/29/05/337062905.db2.gz ZEVJLYAPAIEUEM-GFCCVEGCSA-N 0 1 305.809 2.937 20 10 DFCDMN CN1CCc2cc(CNCc3cccc4c3OCCO4)ccc21 ZINC000378246284 337068740 /nfs/dbraw/zinc/06/87/40/337068740.db2.gz QQWIXLBXPQUTOS-UHFFFAOYSA-N 0 1 310.397 2.740 20 10 DFCDMN C[C@H](NCc1c(O)ccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000191229904 337295065 /nfs/dbraw/zinc/29/50/65/337295065.db2.gz IZTMKYKSBWXXPE-VIFPVBQESA-N 0 1 324.787 2.963 20 10 DFCDMN CC[C@H](O)C[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000124366782 337405065 /nfs/dbraw/zinc/40/50/65/337405065.db2.gz AHGMSWITOAABDO-JQWIXIFHSA-N 0 1 302.212 2.966 20 10 DFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2CC2)C1 ZINC000436466867 338273202 /nfs/dbraw/zinc/27/32/02/338273202.db2.gz WBEPENPDEBXCPF-UHFFFAOYSA-N 0 1 311.429 2.686 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](CC(C)(C)O)C2CC2)c1[O-] ZINC000189992359 518277072 /nfs/dbraw/zinc/27/70/72/518277072.db2.gz PTBVOTKIQKKGBA-UHFFFAOYSA-N 0 1 311.809 2.984 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CC(C)(C)O)C2CC2)c1[O-] ZINC000189992359 518277078 /nfs/dbraw/zinc/27/70/78/518277078.db2.gz PTBVOTKIQKKGBA-UHFFFAOYSA-N 0 1 311.809 2.984 20 10 DFCDMN CC(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158017522 519513870 /nfs/dbraw/zinc/51/38/70/519513870.db2.gz GMGZLWQKJDPFRD-AWEZNQCLSA-N 0 1 310.825 2.782 20 10 DFCDMN CCN(C)C(=O)[C@H](C)NCc1ccc(N(CC)CC)c(F)c1 ZINC000188897757 520215280 /nfs/dbraw/zinc/21/52/80/520215280.db2.gz RYOFZZSVOUAADQ-ZDUSSCGKSA-N 0 1 309.429 2.628 20 10 DFCDMN CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272215661 534513288 /nfs/dbraw/zinc/51/32/88/534513288.db2.gz BCNOCXYEAZDFOJ-CYBMUJFWSA-N 0 1 308.397 2.658 20 10 DFCDMN CCN(CC)c1ccc(CNC(=O)c2[nH]nc(C)c2C)cc1 ZINC000265166880 520905174 /nfs/dbraw/zinc/90/51/74/520905174.db2.gz CEMSMNNLQINGAM-UHFFFAOYSA-N 0 1 300.406 2.803 20 10 DFCDMN COc1ccc(O)c(CN(C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000180502869 524733808 /nfs/dbraw/zinc/73/38/08/524733808.db2.gz XATJRHWOINSWPN-QFIPXVFZSA-N 0 1 319.426 2.770 20 10 DFCDMN COc1ccc(O)c([C@H](C)NCc2cn3ccsc3n2)c1 ZINC000182464830 524771826 /nfs/dbraw/zinc/77/18/26/524771826.db2.gz QSIAGCTVWBNMKS-JTQLQIEISA-N 0 1 303.387 2.961 20 10 DFCDMN C[C@@H](C[N@@H+](Cc1c(O)ccc2ccncc21)C1CC1)C(=O)[O-] ZINC000736585854 599933832 /nfs/dbraw/zinc/93/38/32/599933832.db2.gz XNCPMYKJYFNZBM-NSHDSACASA-N 0 1 300.358 2.626 20 10 DFCDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000825263131 604024031 /nfs/dbraw/zinc/02/40/31/604024031.db2.gz FENQKWXOGPASRE-DOMZBBRYSA-N 0 1 318.417 2.749 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000833629692 604665841 /nfs/dbraw/zinc/66/58/41/604665841.db2.gz LKUUKKHSCIERAK-PBHICJAKSA-N 0 1 302.418 2.829 20 10 DFCDMN C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000833629695 604666007 /nfs/dbraw/zinc/66/60/07/604666007.db2.gz LKUUKKHSCIERAK-YOEHRIQHSA-N 0 1 302.418 2.829 20 10 DFCDMN COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000318087160 605547185 /nfs/dbraw/zinc/54/71/85/605547185.db2.gz MBLVUIRLWQCTGV-CYBMUJFWSA-N 0 1 307.390 2.724 20 10 DFCDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC000834161724 605585478 /nfs/dbraw/zinc/58/54/78/605585478.db2.gz DHBAEWJNHBTTEN-AGUYFDCRSA-N 0 1 308.353 2.684 20 10 DFCDMN CC(C)(C)[C@@H]([NH2+]Cc1cccc(Br)c1O)C(=O)[O-] ZINC000833424085 605750444 /nfs/dbraw/zinc/75/04/44/605750444.db2.gz GFLUXDKSXICQGP-NSHDSACASA-N 0 1 316.195 2.744 20 10 DFCDMN C[C@H](O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000092969109 398610519 /nfs/dbraw/zinc/61/05/19/398610519.db2.gz FSGZGPFXFGVAPY-JTQLQIEISA-N 0 1 314.223 2.748 20 10 DFCDMN CC[C@H](CO)[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000020195319 182196108 /nfs/dbraw/zinc/19/61/08/182196108.db2.gz HIAQWZKKBXSANA-PWSUYJOCSA-N 0 1 302.212 2.966 20 10 DFCDMN COc1ccc([C@H](CO)[N@@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC000272214323 130008075 /nfs/dbraw/zinc/00/80/75/130008075.db2.gz AZCSMRKMBFXKHL-INIZCTEOSA-N 0 1 305.349 2.705 20 10 DFCDMN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC000272234564 130010988 /nfs/dbraw/zinc/01/09/88/130010988.db2.gz FJUFNJCMNZAGMV-AWEZNQCLSA-N 0 1 318.396 2.652 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000272246375 130011846 /nfs/dbraw/zinc/01/18/46/130011846.db2.gz HNVIIWVBUPHMKV-UHFFFAOYSA-N 0 1 306.303 2.601 20 10 DFCDMN [O-]c1c(F)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000272373231 130024880 /nfs/dbraw/zinc/02/48/80/130024880.db2.gz GXOQCVVMBLJWAW-GUYCJALGSA-N 0 1 304.409 2.980 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000272373231 130024883 /nfs/dbraw/zinc/02/48/83/130024883.db2.gz GXOQCVVMBLJWAW-GUYCJALGSA-N 0 1 304.409 2.980 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273619952 130145625 /nfs/dbraw/zinc/14/56/25/130145625.db2.gz YSMNFKMOPASGQL-SJKOYZFVSA-N 0 1 311.385 2.663 20 10 DFCDMN C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000285646475 131190061 /nfs/dbraw/zinc/19/00/61/131190061.db2.gz YCFLHOPSRCRFNH-QWRGUYRKSA-N 0 1 314.223 2.917 20 10 DFCDMN Cc1cc(Br)cc(C[N@H+]2CCCOCC2)c1O ZINC000124555254 425925399 /nfs/dbraw/zinc/92/53/99/425925399.db2.gz IROHIVJQADPYOQ-UHFFFAOYSA-N 0 1 300.196 2.685 20 10 DFCDMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1O ZINC000109768891 426032668 /nfs/dbraw/zinc/03/26/68/426032668.db2.gz CPNYRMNCKWGCNA-QLFBSQMISA-N 0 1 304.434 2.717 20 10 DFCDMN COc1ccccc1[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113326164 426113203 /nfs/dbraw/zinc/11/32/03/426113203.db2.gz CJYANKISGACNJT-OAHLLOKOSA-N 0 1 307.777 2.877 20 10 DFCDMN CN(Cc1ccccc1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112347742 426073350 /nfs/dbraw/zinc/07/33/50/426073350.db2.gz FMOGMEKGPYWYAM-MRXNPFEDSA-N 0 1 314.360 2.769 20 10 DFCDMN CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000089212008 426282630 /nfs/dbraw/zinc/28/26/30/426282630.db2.gz BQZIQBPRTUFEJB-ZDUSSCGKSA-N 0 1 316.449 2.908 20 10 DFCDMN CCOC(=O)N[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000153994678 426416677 /nfs/dbraw/zinc/41/66/77/426416677.db2.gz USKZYCDGEVRYLY-LLVKDONJSA-N 0 1 312.797 2.756 20 10 DFCDMN Cc1ccc(O)c(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1 ZINC000154937265 426459903 /nfs/dbraw/zinc/45/99/03/426459903.db2.gz VHWLRNIQCXBEHF-MRXNPFEDSA-N 0 1 319.426 2.576 20 10 DFCDMN CCCOc1ccc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000280300628 426543446 /nfs/dbraw/zinc/54/34/46/426543446.db2.gz OWMJMOBTBCZUBL-KSSFIOAISA-N 0 1 321.417 2.561 20 10 DFCDMN C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc2ccccc2c1[O-] ZINC000186149709 426489336 /nfs/dbraw/zinc/48/93/36/426489336.db2.gz IDGVZKKNXDXVPS-AWEZNQCLSA-N 0 1 315.413 2.985 20 10 DFCDMN CC[C@]1(CO)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000187624063 426678502 /nfs/dbraw/zinc/67/85/02/426678502.db2.gz CFZRFAYUGCUIKL-KRWDZBQOSA-N 0 1 309.381 2.718 20 10 DFCDMN CC[C@]1(CO)CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000187624063 426678506 /nfs/dbraw/zinc/67/85/06/426678506.db2.gz CFZRFAYUGCUIKL-KRWDZBQOSA-N 0 1 309.381 2.718 20 10 DFCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@@H]1CCCO1 ZINC000227437261 426626238 /nfs/dbraw/zinc/62/62/38/426626238.db2.gz UBMCUENCELMYPY-RNCFNFMXSA-N 0 1 300.196 2.812 20 10 DFCDMN CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000281302173 426708490 /nfs/dbraw/zinc/70/84/90/426708490.db2.gz YRLFDZSIOFOSIK-YPMHNXCESA-N 0 1 310.825 2.955 20 10 DFCDMN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000290251510 426727080 /nfs/dbraw/zinc/72/70/80/426727080.db2.gz VUOYDNXUYLDWKP-LBPRGKRZSA-N 0 1 312.797 2.756 20 10 DFCDMN Oc1ccccc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000179569309 426803222 /nfs/dbraw/zinc/80/32/22/426803222.db2.gz NVLNZUOWXREABQ-UHFFFAOYSA-N 0 1 303.431 2.557 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1[O-] ZINC000295851671 427018577 /nfs/dbraw/zinc/01/85/77/427018577.db2.gz DKLXRVFAWBWRBT-KBRIMQKVSA-N 0 1 319.376 2.781 20 10 DFCDMN COc1cc(N(C)Cc2n[nH]c(C(C)C)n2)cc(OC)c1OC ZINC000292561257 427193046 /nfs/dbraw/zinc/19/30/46/427193046.db2.gz RQCUPEFEXGJKPG-UHFFFAOYSA-N 0 1 320.393 2.590 20 10 DFCDMN CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000277511737 427227322 /nfs/dbraw/zinc/22/73/22/427227322.db2.gz WLXDSULEEUAGSY-ZJUUUORDSA-N 0 1 319.365 2.783 20 10 DFCDMN COc1cc(N2CCN(CC=C(C)C)CC2)cc(OC)c1OC ZINC000183696445 427321516 /nfs/dbraw/zinc/32/15/16/427321516.db2.gz OXCLHRDTBWVQHF-UHFFFAOYSA-N 0 1 320.433 2.801 20 10 DFCDMN C[C@H](c1cnccn1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000184412428 427454852 /nfs/dbraw/zinc/45/48/52/427454852.db2.gz LHPLRMYFDRHBJI-OAHLLOKOSA-N 0 1 312.417 2.506 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000271273046 427477532 /nfs/dbraw/zinc/47/75/32/427477532.db2.gz KEHCVQGKZIJGKU-LBPRGKRZSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000271273046 427477538 /nfs/dbraw/zinc/47/75/38/427477538.db2.gz KEHCVQGKZIJGKU-LBPRGKRZSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000271273045 427477988 /nfs/dbraw/zinc/47/79/88/427477988.db2.gz KEHCVQGKZIJGKU-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000271273045 427477993 /nfs/dbraw/zinc/47/79/93/427477993.db2.gz KEHCVQGKZIJGKU-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN COc1c([O-])c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278166031 427425645 /nfs/dbraw/zinc/42/56/45/427425645.db2.gz FEXZGDJMBXNNAX-UWVGGRQHSA-N 0 1 312.391 2.635 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278166031 427425648 /nfs/dbraw/zinc/42/56/48/427425648.db2.gz FEXZGDJMBXNNAX-UWVGGRQHSA-N 0 1 312.391 2.635 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000278325691 427431115 /nfs/dbraw/zinc/43/11/15/427431115.db2.gz GORBUXQHYNWTPT-RISCZKNCSA-N 0 1 324.396 2.876 20 10 DFCDMN Cn1nccc1N1CCC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000278518612 427442338 /nfs/dbraw/zinc/44/23/38/427442338.db2.gz RJQDKTSCELTASE-LBPRGKRZSA-N 0 1 320.824 2.538 20 10 DFCDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(Cl)c1[O-] ZINC000278676380 427445933 /nfs/dbraw/zinc/44/59/33/427445933.db2.gz NPYNYZOBDWFXDX-ZDUSSCGKSA-N 0 1 324.852 2.731 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000294010116 427522525 /nfs/dbraw/zinc/52/25/25/427522525.db2.gz MVIZXPDFNPDBQI-MSOLQXFVSA-N 0 1 303.402 2.934 20 10 DFCDMN CCOc1ccc(O)c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000294010116 427522532 /nfs/dbraw/zinc/52/25/32/427522532.db2.gz MVIZXPDFNPDBQI-MSOLQXFVSA-N 0 1 303.402 2.934 20 10 DFCDMN Cc1cccc(CN2CCN(c3ncccc3F)CC2)c1O ZINC000271894331 427591297 /nfs/dbraw/zinc/59/12/97/427591297.db2.gz XWLOVTDQAPUWJZ-UHFFFAOYSA-N 0 1 301.365 2.557 20 10 DFCDMN CN(C)C(=O)O[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000294792278 427659401 /nfs/dbraw/zinc/65/94/01/427659401.db2.gz MAVJOWKAWGLGIA-NSHDSACASA-N 0 1 312.797 2.708 20 10 DFCDMN CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294792278 427659406 /nfs/dbraw/zinc/65/94/06/427659406.db2.gz MAVJOWKAWGLGIA-NSHDSACASA-N 0 1 312.797 2.708 20 10 DFCDMN CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294792278 427659414 /nfs/dbraw/zinc/65/94/14/427659414.db2.gz MAVJOWKAWGLGIA-NSHDSACASA-N 0 1 312.797 2.708 20 10 DFCDMN Cc1ccccc1[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000294932578 427667527 /nfs/dbraw/zinc/66/75/27/427667527.db2.gz DFOHKGIWYDIFEW-IBGZPJMESA-N 0 1 323.440 2.694 20 10 DFCDMN Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c(=O)n1C ZINC000279458122 427678298 /nfs/dbraw/zinc/67/82/98/427678298.db2.gz IRQVTQWYWJDWSZ-NSHDSACASA-N 0 1 306.793 2.904 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000279663974 427714889 /nfs/dbraw/zinc/71/48/89/427714889.db2.gz GQVMDPXKCOHKPJ-CYBMUJFWSA-N 0 1 314.223 2.795 20 10 DFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000299522147 427766942 /nfs/dbraw/zinc/76/69/42/427766942.db2.gz LNNUYZDBDUXOOZ-SFHVURJKSA-N 0 1 315.461 2.730 20 10 DFCDMN COc1ccc(N2CCN(C[C@H]3CCC=CO3)CC2)cc1F ZINC000194064475 427729384 /nfs/dbraw/zinc/72/93/84/427729384.db2.gz FKNWTECPLRGELC-OAHLLOKOSA-N 0 1 306.381 2.649 20 10 DFCDMN CC[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000369879106 428082268 /nfs/dbraw/zinc/08/22/68/428082268.db2.gz XCUIXCQLWAEMAZ-NVXWUHKLSA-N 0 1 309.381 2.691 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCCO[C@@H]3CCC[C@H]32)c1O ZINC000370170917 428149353 /nfs/dbraw/zinc/14/93/53/428149353.db2.gz VWUYHYSMWGKYRX-HZPDHXFCSA-N 0 1 307.365 2.877 20 10 DFCDMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2[O-])CN1 ZINC000373217872 428524617 /nfs/dbraw/zinc/52/46/17/428524617.db2.gz SJSIXSOXMCJBGE-OCCSQVGLSA-N 0 1 308.809 2.536 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@@]2(CCCOC2)O1 ZINC000373470953 428585323 /nfs/dbraw/zinc/58/53/23/428585323.db2.gz UYRJKEOYZOUNQP-FUHWJXTLSA-N 0 1 305.418 2.861 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373270413 428534814 /nfs/dbraw/zinc/53/48/14/428534814.db2.gz KHVOLUYAFSMVKP-AWEZNQCLSA-N 0 1 312.207 2.502 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373270413 428534820 /nfs/dbraw/zinc/53/48/20/428534820.db2.gz KHVOLUYAFSMVKP-AWEZNQCLSA-N 0 1 312.207 2.502 20 10 DFCDMN CCc1nn(C)c(Cl)c1CNCc1ccc2c(c1)CCN2C ZINC000373520985 428597376 /nfs/dbraw/zinc/59/73/76/428597376.db2.gz KOWUFNXRCTXBII-UHFFFAOYSA-N 0 1 318.852 2.918 20 10 DFCDMN COc1cccc([C@H]2C[C@H](O)C[N@H+]2Cc2cccc(F)c2[O-])c1 ZINC000374361991 428675905 /nfs/dbraw/zinc/67/59/05/428675905.db2.gz YIJXFUBOUPZSBE-WMLDXEAASA-N 0 1 317.360 2.848 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000374412917 428679212 /nfs/dbraw/zinc/67/92/12/428679212.db2.gz WGUKKCVFKJHYEM-OLZOCXBDSA-N 0 1 307.365 2.592 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000374412917 428679217 /nfs/dbraw/zinc/67/92/17/428679217.db2.gz WGUKKCVFKJHYEM-OLZOCXBDSA-N 0 1 307.365 2.592 20 10 DFCDMN CN(C)c1ccc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1F ZINC000362617351 428793336 /nfs/dbraw/zinc/79/33/36/428793336.db2.gz OWBJIYKWMMJYNF-LXZKKBNFSA-N 0 1 319.424 2.510 20 10 DFCDMN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000366467221 429458568 /nfs/dbraw/zinc/45/85/68/429458568.db2.gz RDBDIUHBLLDEOX-BLLLJJGKSA-N 0 1 311.809 2.816 20 10 DFCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000367356298 429629699 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CC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000133272864 332138722 /nfs/dbraw/zinc/13/87/22/332138722.db2.gz WPCIBURRSMXXDB-UHFFFAOYSA-N 0 1 317.216 2.753 20 10 DFCDMN CCOc1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293959106 335116008 /nfs/dbraw/zinc/11/60/08/335116008.db2.gz JGECIFHKCPBXDX-MSOLQXFVSA-N 0 1 303.402 2.934 20 10 DFCDMN CCOc1cccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293959106 335116011 /nfs/dbraw/zinc/11/60/11/335116011.db2.gz JGECIFHKCPBXDX-MSOLQXFVSA-N 0 1 303.402 2.934 20 10 DFCDMN Cc1cc(Br)cc(C[N@@H+]2CCOC[C@@H](C)C2)c1O ZINC000378446517 333039241 /nfs/dbraw/zinc/03/92/41/333039241.db2.gz ZLCKWTPCRSZODZ-JTQLQIEISA-N 0 1 314.223 2.931 20 10 DFCDMN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cc(Cl)c(F)cc1O ZINC000295226920 335131161 /nfs/dbraw/zinc/13/11/61/335131161.db2.gz CIPPHMVAJYAAII-BLBZPCKPSA-N 0 1 305.802 2.526 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(Br)ccc1[O-] ZINC000296361800 335143830 /nfs/dbraw/zinc/14/38/30/335143830.db2.gz 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RIARCGSRYMQMQH-DOMZBBRYSA-N 0 1 324.852 2.970 20 10 DFCDMN CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185331029 333369512 /nfs/dbraw/zinc/36/95/12/333369512.db2.gz DMMRQYQMAPUCQF-LBPRGKRZSA-N 0 1 307.415 2.631 20 10 DFCDMN CC(C)[C@@H](CCO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000230689634 333457172 /nfs/dbraw/zinc/45/71/72/333457172.db2.gz IMKXDHKWLUAIDO-GFCCVEGCSA-N 0 1 302.212 2.651 20 10 DFCDMN Oc1ccccc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000271368699 334021721 /nfs/dbraw/zinc/02/17/21/334021721.db2.gz OWJKWPMGQMGULG-XJKSGUPXSA-N 0 1 305.324 2.978 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]([C@H](C)CO)C2CCCC2)c1[O-] ZINC000276478687 334079415 /nfs/dbraw/zinc/07/94/15/334079415.db2.gz RPERUSSXRFENCB-LLVKDONJSA-N 0 1 309.381 2.859 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]([C@H](C)CO)C2CCCC2)c1[O-] ZINC000276478687 334079416 /nfs/dbraw/zinc/07/94/16/334079416.db2.gz RPERUSSXRFENCB-LLVKDONJSA-N 0 1 309.381 2.859 20 10 DFCDMN C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276631196 334084192 /nfs/dbraw/zinc/08/41/92/334084192.db2.gz WCRKWLPVTUVPSD-GFCCVEGCSA-N 0 1 324.396 2.621 20 10 DFCDMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276631196 334084194 /nfs/dbraw/zinc/08/41/94/334084194.db2.gz WCRKWLPVTUVPSD-GFCCVEGCSA-N 0 1 324.396 2.621 20 10 DFCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(=O)NCCF ZINC000282405841 334134566 /nfs/dbraw/zinc/13/45/66/334134566.db2.gz CACQGCZAKHJXLC-NWDGAFQWSA-N 0 1 304.365 2.670 20 10 DFCDMN CN1CCc2cc(CN[C@H](c3nnc[nH]3)c3ccccc3)ccc21 ZINC000375396609 337010370 /nfs/dbraw/zinc/01/03/70/337010370.db2.gz VWVMRTDWUGMUGZ-SFHVURJKSA-N 0 1 319.412 2.676 20 10 DFCDMN CN(C)c1ccc(C2=CCN(C[C@@H](O)CC(F)(F)F)C2)cc1 ZINC000375493634 337012101 /nfs/dbraw/zinc/01/21/01/337012101.db2.gz IWHIBRPIFAVGPZ-HNNXBMFYSA-N 0 1 314.351 2.765 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375671323 337016132 /nfs/dbraw/zinc/01/61/32/337016132.db2.gz HJEDSEZPACEPJA-HNNXBMFYSA-N 0 1 321.808 2.714 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000376441111 337033459 /nfs/dbraw/zinc/03/34/59/337033459.db2.gz ITPTZICYBITODZ-WMLDXEAASA-N 0 1 309.381 2.691 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@]2(CCCOC2)O1 ZINC000376444910 337033620 /nfs/dbraw/zinc/03/36/20/337033620.db2.gz XTFYKUJZIMSUMB-WMZOPIPTSA-N 0 1 305.418 2.861 20 10 DFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000377216592 337048860 /nfs/dbraw/zinc/04/88/60/337048860.db2.gz VGLXIQKVXNGWRZ-QAPCUYQASA-N 0 1 304.434 2.523 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000377403321 337052019 /nfs/dbraw/zinc/05/20/19/337052019.db2.gz NLUMPRKWKXNMLD-CJNGLKHVSA-N 0 1 305.761 2.630 20 10 DFCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000377550890 337055094 /nfs/dbraw/zinc/05/50/94/337055094.db2.gz SLMWGYVWUVYWAB-IMJJTQAJSA-N 0 1 302.418 2.834 20 10 DFCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000377550890 337055095 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CCn1cc([C@@H]2CN(Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000191703015 523466821 /nfs/dbraw/zinc/46/68/21/523466821.db2.gz UVPLLDOMJAWHOH-HNNXBMFYSA-N 0 1 321.808 2.836 20 10 DFCDMN COc1ccc(F)cc1CNCc1cc2c(cc1O)OCO2 ZINC000189199654 524313880 /nfs/dbraw/zinc/31/38/80/524313880.db2.gz SQFRWZRCIURHQA-UHFFFAOYSA-N 0 1 305.305 2.558 20 10 DFCDMN C[C@H]([NH2+]Cc1ccnn1C)c1cc(Br)ccc1[O-] ZINC000181011308 525471330 /nfs/dbraw/zinc/47/13/30/525471330.db2.gz LYGWHYVCQKEBDE-VIFPVBQESA-N 0 1 310.195 2.739 20 10 DFCDMN COc1cccc(CN2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000181923679 525947221 /nfs/dbraw/zinc/94/72/21/525947221.db2.gz LPVZRJQLNBNGBV-QGZVFWFLSA-N 0 1 313.397 2.844 20 10 DFCDMN Cc1nc(CN2CCN(Cc3cccc(C)c3O)CC2)oc1C ZINC000180043376 526865972 /nfs/dbraw/zinc/86/59/72/526865972.db2.gz QWPRJFTTXQJRMP-UHFFFAOYSA-N 0 1 315.417 2.623 20 10 DFCDMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000736980001 599706684 /nfs/dbraw/zinc/70/66/84/599706684.db2.gz RUTIKFQTNNGUDH-KRWDZBQOSA-N 0 1 320.433 2.851 20 10 DFCDMN CN(C)c1ccc(C[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C2CC2)cc1 ZINC000739618377 603369723 /nfs/dbraw/zinc/36/97/23/603369723.db2.gz LQXPQHYPMJDKDU-OAHLLOKOSA-N 0 1 317.433 2.717 20 10 DFCDMN C[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000828345941 603593220 /nfs/dbraw/zinc/59/32/20/603593220.db2.gz MURHPEKWCWYBFI-ZDUSSCGKSA-N 0 1 300.358 2.730 20 10 DFCDMN COc1ccc(O)c(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000321376146 605246250 /nfs/dbraw/zinc/24/62/50/605246250.db2.gz VCJVDWPJJRDVEQ-QGZVFWFLSA-N 0 1 313.353 2.585 20 10 DFCDMN COc1ccc2ccc(O)c(C[N@@H+](C)CCN(C)C(=O)[O-])c2c1 ZINC000833892139 605501044 /nfs/dbraw/zinc/50/10/44/605501044.db2.gz KNQMXBVWFPRQJJ-UHFFFAOYSA-N 0 1 318.373 2.596 20 10 DFCDMN COc1cccc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1O ZINC000833735597 605546780 /nfs/dbraw/zinc/54/67/80/605546780.db2.gz QCJJIZCIFJBYQE-UHFFFAOYSA-N 0 1 313.353 2.657 20 10 DFCDMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1O ZINC000825322636 608657249 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DFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CCc2ccccn2)c1[O-] ZINC000126771342 426036056 /nfs/dbraw/zinc/03/60/56/426036056.db2.gz VZHPKKCOYVTXCN-UHFFFAOYSA-N 0 1 302.349 2.803 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128452772 426117829 /nfs/dbraw/zinc/11/78/29/426117829.db2.gz FINRUQRHVWYHJL-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128452772 426117831 /nfs/dbraw/zinc/11/78/31/426117831.db2.gz FINRUQRHVWYHJL-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c[nH]nc21 ZINC000173195384 426236186 /nfs/dbraw/zinc/23/61/86/426236186.db2.gz BWMFQZZLMQHQKY-UHFFFAOYSA-N 0 1 322.368 2.668 20 10 DFCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCCNC1=O ZINC000123916281 426461256 /nfs/dbraw/zinc/46/12/56/426461256.db2.gz AGCZWPFKLXJYEA-LBPRGKRZSA-N 0 1 317.216 2.800 20 10 DFCDMN CN(C)c1ccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000280257983 426533393 /nfs/dbraw/zinc/53/33/93/426533393.db2.gz LQEGQMQJSSXFOT-GOSISDBHSA-N 0 1 322.424 2.662 20 10 DFCDMN CN(C)c1ccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000280257983 426533397 /nfs/dbraw/zinc/53/33/97/426533397.db2.gz LQEGQMQJSSXFOT-GOSISDBHSA-N 0 1 322.424 2.662 20 10 DFCDMN CCCOc1ccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000280300623 426543327 /nfs/dbraw/zinc/54/33/27/426543327.db2.gz OWMJMOBTBCZUBL-KDOFPFPSSA-N 0 1 321.417 2.561 20 10 DFCDMN Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280304307 426546016 /nfs/dbraw/zinc/54/60/16/426546016.db2.gz PBVJMKZYUQLSAO-MLGOLLRUSA-N 0 1 311.809 2.734 20 10 DFCDMN COCC1=CCN(Cc2cc(Br)ccc2O)CC1 ZINC000187618001 426678576 /nfs/dbraw/zinc/67/85/76/426678576.db2.gz BCGVHWHMXAIOKQ-UHFFFAOYSA-N 0 1 312.207 2.933 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1(O)CCCCC1 ZINC000227744329 426630072 /nfs/dbraw/zinc/63/00/72/426630072.db2.gz ZVIZPGRESUVECB-UHFFFAOYSA-N 0 1 314.223 2.940 20 10 DFCDMN CS(=O)(=O)[C@H]1CCCN(Cc2c(O)ccc3ccccc32)C1 ZINC000273989198 426714783 /nfs/dbraw/zinc/71/47/83/426714783.db2.gz WHXKJMGQGIPSCY-AWEZNQCLSA-N 0 1 319.426 2.554 20 10 DFCDMN CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179692104 426811984 /nfs/dbraw/zinc/81/19/84/426811984.db2.gz MYMJTXUQJHQIOE-GFCCVEGCSA-N 0 1 312.797 2.756 20 10 DFCDMN COc1cc(O)c(CN(Cc2cccnc2)C2CC2)cc1OC ZINC000290656184 426813746 /nfs/dbraw/zinc/81/37/46/426813746.db2.gz ZIXUKHCIDYCFJV-UHFFFAOYSA-N 0 1 314.385 2.969 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+](CCO)C1CCC1 ZINC000275950769 426955810 /nfs/dbraw/zinc/95/58/10/426955810.db2.gz JLBIZUXHAUEZOK-UHFFFAOYSA-N 0 1 300.196 2.502 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+](CCO)C1CCC1 ZINC000275950769 426955815 /nfs/dbraw/zinc/95/58/15/426955815.db2.gz JLBIZUXHAUEZOK-UHFFFAOYSA-N 0 1 300.196 2.502 20 10 DFCDMN COCc1nc([C@@H]2CCCCN2Cc2cc(F)ccc2O)n[nH]1 ZINC000296065071 427063580 /nfs/dbraw/zinc/06/35/80/427063580.db2.gz POGFTMKMWAPPPA-ZDUSSCGKSA-N 0 1 320.368 2.523 20 10 DFCDMN C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000277656370 427275603 /nfs/dbraw/zinc/27/56/03/427275603.db2.gz DZPBHSMITLWCIS-BXKDBHETSA-N 0 1 300.196 2.669 20 10 DFCDMN C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000277656382 427276305 /nfs/dbraw/zinc/27/63/05/427276305.db2.gz DZPBHSMITLWCIS-SKDRFNHKSA-N 0 1 300.196 2.669 20 10 DFCDMN CC(C)C(=O)NC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271061290 427392304 /nfs/dbraw/zinc/39/23/04/427392304.db2.gz XGANXVXTLHHSMW-UHFFFAOYSA-N 0 1 321.440 2.628 20 10 DFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000271083172 427398938 /nfs/dbraw/zinc/39/89/38/427398938.db2.gz JSYIRCXVPSRVJT-MRVPVSSYSA-N 0 1 304.173 2.694 20 10 DFCDMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271537155 427574407 /nfs/dbraw/zinc/57/44/07/427574407.db2.gz QJPLXWNDCAEKFT-OLZOCXBDSA-N 0 1 318.396 2.797 20 10 DFCDMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271555398 427582130 /nfs/dbraw/zinc/58/21/30/427582130.db2.gz WOVHMTULYLCJMV-LBPRGKRZSA-N 0 1 318.396 2.545 20 10 DFCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccnc(OC)n1 ZINC000294524861 427644996 /nfs/dbraw/zinc/64/49/96/427644996.db2.gz GDQKJOHJINKKFR-UHFFFAOYSA-N 0 1 300.406 2.573 20 10 DFCDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1)C(N)=O ZINC000294664611 427647324 /nfs/dbraw/zinc/64/73/24/427647324.db2.gz AKQAOFXSMHMGKT-LBPRGKRZSA-N 0 1 308.397 2.645 20 10 DFCDMN C[C@H]([NH2+]CC1(C)COC1)c1ccc(Br)cc1[O-] ZINC000185441945 427655782 /nfs/dbraw/zinc/65/57/82/427655782.db2.gz PMCRQKNDWGPFFO-VIFPVBQESA-N 0 1 300.196 2.842 20 10 DFCDMN Cc1nocc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294804903 427660769 /nfs/dbraw/zinc/66/07/69/427660769.db2.gz DPFQTQWYWADIBK-MRXNPFEDSA-N 0 1 302.374 2.870 20 10 DFCDMN CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000294858317 427661857 /nfs/dbraw/zinc/66/18/57/427661857.db2.gz SVHFIBGKLPHZDL-GFCCVEGCSA-N 0 1 312.797 2.708 20 10 DFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000295044777 427672451 /nfs/dbraw/zinc/67/24/51/427672451.db2.gz YQCSHXXSZUQUHO-LLVKDONJSA-N 0 1 324.787 2.688 20 10 DFCDMN C[N@H+](CCCCCO)Cc1cc(Br)ccc1[O-] ZINC000279441796 427674791 /nfs/dbraw/zinc/67/47/91/427674791.db2.gz PIDYEWIJYLGSIR-UHFFFAOYSA-N 0 1 302.212 2.749 20 10 DFCDMN C[N@@H+](CCCCCO)Cc1cc(Br)ccc1[O-] ZINC000279441796 427674795 /nfs/dbraw/zinc/67/47/95/427674795.db2.gz PIDYEWIJYLGSIR-UHFFFAOYSA-N 0 1 302.212 2.749 20 10 DFCDMN C[C@@H]1CN(CC[N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000193397288 427688794 /nfs/dbraw/zinc/68/87/94/427688794.db2.gz WAIAZWOBTXXLCM-BETUJISGSA-N 0 1 312.841 2.587 20 10 DFCDMN COc1ccc2c(c1)nc(CNCc1cc(C)ccc1O)n2C ZINC000185835657 427717156 /nfs/dbraw/zinc/71/71/56/427717156.db2.gz XCFVQJDJTBMONO-UHFFFAOYSA-N 0 1 311.385 2.886 20 10 DFCDMN COc1ccc2c(c1)nc(CNCc1ccc3c(c1)CCO3)n2C ZINC000185835893 427717657 /nfs/dbraw/zinc/71/76/57/427717657.db2.gz JNNJCZUAWYVTOP-UHFFFAOYSA-N 0 1 323.396 2.807 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000369675635 428033801 /nfs/dbraw/zinc/03/38/01/428033801.db2.gz HLOWQDDQLUNDDD-XHDPSFHLSA-N 0 1 309.793 2.859 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H](CO)C2)c1[O-] ZINC000370207855 428156865 /nfs/dbraw/zinc/15/68/65/428156865.db2.gz NGKCNOFHUUEGPG-LBPRGKRZSA-N 0 1 311.809 2.843 20 10 DFCDMN Cc1cc(Cl)cc(CN2CC[C@H](NC(=O)C3CCC3)C2)c1O ZINC000371417536 428387945 /nfs/dbraw/zinc/38/79/45/428387945.db2.gz LBZCQLZZDISOMQ-HNNXBMFYSA-N 0 1 322.836 2.845 20 10 DFCDMN Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])n1 ZINC000371423850 428389422 /nfs/dbraw/zinc/38/94/22/428389422.db2.gz DXMAAQNVKAHQFW-AWEZNQCLSA-N 0 1 320.824 2.919 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000371473000 428391123 /nfs/dbraw/zinc/39/11/23/428391123.db2.gz JQWNLPLBFFYERO-CZUORRHYSA-N 0 1 324.852 2.588 20 10 DFCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000371870626 428406277 /nfs/dbraw/zinc/40/62/77/428406277.db2.gz RLCIZVKJGDXTAT-ZQIUZPCESA-N 0 1 322.424 2.683 20 10 DFCDMN CCN(CC)c1ccc(CN2CC[C@@H](n3cncn3)C2)cc1F ZINC000364513778 429217441 /nfs/dbraw/zinc/21/74/41/429217441.db2.gz VLWWBGYBEHJSKN-OAHLLOKOSA-N 0 1 317.412 2.710 20 10 DFCDMN COc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000366807760 429517896 /nfs/dbraw/zinc/51/78/96/429517896.db2.gz IJMAHVQWERNTOP-GLJUWKHASA-N 0 1 321.417 2.559 20 10 DFCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCn2ccnc2C1 ZINC000367667079 429695796 /nfs/dbraw/zinc/69/57/96/429695796.db2.gz AAMTXQUMKPXRKL-LBPRGKRZSA-N 0 1 305.809 2.937 20 10 DFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCn2ccnc2C1 ZINC000367667079 429695799 /nfs/dbraw/zinc/69/57/99/429695799.db2.gz AAMTXQUMKPXRKL-LBPRGKRZSA-N 0 1 305.809 2.937 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Br)cc1[O-] ZINC000367683473 429700087 /nfs/dbraw/zinc/70/00/87/429700087.db2.gz CRCJHBXJNFHVMZ-STRQVWJDSA-N 0 1 312.207 2.698 20 10 DFCDMN CCc1noc([C@H]2C[C@H](O)CN2[C@@H](CC)c2ccccc2O)n1 ZINC000368040702 429773383 /nfs/dbraw/zinc/77/33/83/429773383.db2.gz SMXAVGUJJPVHPZ-FPMFFAJLSA-N 0 1 317.389 2.597 20 10 DFCDMN COc1ccc(N2CCCN(Cc3cncc(F)c3)CC2)cc1 ZINC000368494104 429857410 /nfs/dbraw/zinc/85/74/10/429857410.db2.gz LWEXDAZOZNOQHJ-UHFFFAOYSA-N 0 1 315.392 2.942 20 10 DFCDMN COCC[C@@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000291375057 277238109 /nfs/dbraw/zinc/23/81/09/277238109.db2.gz ZROIMMONOVOASH-LJQANCHMSA-N 0 1 318.461 2.914 20 10 DFCDMN C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc2ccccc2c1[O-] ZINC000294300163 335120670 /nfs/dbraw/zinc/12/06/70/335120670.db2.gz NHQBUXSDHLRPLL-YUELXQCFSA-N 0 1 301.386 2.736 20 10 DFCDMN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)C(F)(F)F ZINC000294608223 335126526 /nfs/dbraw/zinc/12/65/26/335126526.db2.gz IHWAWZNPAQUPLP-NSHDSACASA-N 0 1 315.694 2.930 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000311002953 333277113 /nfs/dbraw/zinc/27/71/13/333277113.db2.gz VOHYZQMLMBYTKW-AWEZNQCLSA-N 0 1 312.207 2.910 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000311002953 333277114 /nfs/dbraw/zinc/27/71/14/333277114.db2.gz VOHYZQMLMBYTKW-AWEZNQCLSA-N 0 1 312.207 2.910 20 10 DFCDMN CCn1cnnc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273409647 334046293 /nfs/dbraw/zinc/04/62/93/334046293.db2.gz PHUOEDYCIQGYPI-LBPRGKRZSA-N 0 1 300.406 2.733 20 10 DFCDMN COc1c([O-])c(C[N@@H+](C)CCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000278330556 334095102 /nfs/dbraw/zinc/09/51/02/334095102.db2.gz ZFYCITRGOOKKIV-UHFFFAOYSA-N 0 1 324.377 2.558 20 10 DFCDMN COc1cc(Cl)cc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1O ZINC000228631234 336017041 /nfs/dbraw/zinc/01/70/41/336017041.db2.gz HLZQKKJXHLQPAR-CQSZACIVSA-N 0 1 310.825 2.724 20 10 DFCDMN Cc1cccc(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1O ZINC000375299643 337007436 /nfs/dbraw/zinc/00/74/36/337007436.db2.gz KCZQXQPZFMDVRZ-IBGZPJMESA-N 0 1 308.381 2.796 20 10 DFCDMN CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000375852820 337021364 /nfs/dbraw/zinc/02/13/64/337021364.db2.gz XVHCTUXHTMKUIF-PWSUYJOCSA-N 0 1 320.824 2.865 20 10 DFCDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000377384472 337051484 /nfs/dbraw/zinc/05/14/84/337051484.db2.gz WVZDBRMHIRVSLJ-HUTHGQBESA-N 0 1 317.316 2.872 20 10 DFCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000377550888 337055135 /nfs/dbraw/zinc/05/51/35/337055135.db2.gz SLMWGYVWUVYWAB-BMFZPTHFSA-N 0 1 302.418 2.834 20 10 DFCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000377550888 337055136 /nfs/dbraw/zinc/05/51/36/337055136.db2.gz SLMWGYVWUVYWAB-BMFZPTHFSA-N 0 1 302.418 2.834 20 10 DFCDMN CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1N1CCOCC1 ZINC000378341808 337070238 /nfs/dbraw/zinc/07/02/38/337070238.db2.gz MDRWQJIEIQHOES-BBRMVZONSA-N 0 1 324.852 2.588 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1N1CCOCC1 ZINC000378341808 337070239 /nfs/dbraw/zinc/07/02/39/337070239.db2.gz MDRWQJIEIQHOES-BBRMVZONSA-N 0 1 324.852 2.588 20 10 DFCDMN Cn1cc([C@]2(C)C[N@H+](Cc3cccc(Cl)c3[O-])CCO2)cn1 ZINC000378441828 337072782 /nfs/dbraw/zinc/07/27/82/337072782.db2.gz IJJBQZUBEVOPDF-INIZCTEOSA-N 0 1 321.808 2.527 20 10 DFCDMN Cn1cc([C@]2(C)C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)cn1 ZINC000378441828 337072783 /nfs/dbraw/zinc/07/27/83/337072783.db2.gz IJJBQZUBEVOPDF-INIZCTEOSA-N 0 1 321.808 2.527 20 10 DFCDMN CCn1ncc(CN[C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000527921924 337775103 /nfs/dbraw/zinc/77/51/03/337775103.db2.gz ABWNTRFOCSPWMB-GFCCVEGCSA-N 0 1 300.406 2.733 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1[O-] ZINC000364191882 518284704 /nfs/dbraw/zinc/28/47/04/518284704.db2.gz RAWNPPCWEQNOPD-XKQJLSEDSA-N 0 1 321.392 2.979 20 10 DFCDMN COC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000188362334 522869669 /nfs/dbraw/zinc/86/96/69/522869669.db2.gz YSSUAXXBZVLSMZ-VQIMIIECSA-N 0 1 318.461 2.913 20 10 DFCDMN CCn1cc(C[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000265592543 523385346 /nfs/dbraw/zinc/38/53/46/523385346.db2.gz ZVROVVXETOLZDX-UHFFFAOYSA-N 0 1 310.195 2.661 20 10 DFCDMN COc1ccc(N2CCC(N(C)Cc3ccn(C)n3)CC2)cc1 ZINC000367433166 524403067 /nfs/dbraw/zinc/40/30/67/524403067.db2.gz UNVGYAVHLZPCDE-UHFFFAOYSA-N 0 1 314.433 2.530 20 10 DFCDMN COc1ccc(N2CCCN(Cc3ccc(F)cn3)CC2)cc1 ZINC000364945502 524405128 /nfs/dbraw/zinc/40/51/28/524405128.db2.gz FBKBLPAIEYYMGB-UHFFFAOYSA-N 0 1 315.392 2.942 20 10 DFCDMN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158032095 525478098 /nfs/dbraw/zinc/47/80/98/525478098.db2.gz UJHBZAZGKATLBW-KCPJHIHWSA-N 0 1 322.836 2.782 20 10 DFCDMN C[C@@]1(O)CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000129397480 525881627 /nfs/dbraw/zinc/88/16/27/525881627.db2.gz ZEJMZTXZZMZRPK-CYBMUJFWSA-N 0 1 300.196 2.502 20 10 DFCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000129397480 525881634 /nfs/dbraw/zinc/88/16/34/525881634.db2.gz ZEJMZTXZZMZRPK-CYBMUJFWSA-N 0 1 300.196 2.502 20 10 DFCDMN O=C([O-])CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000181537329 527581280 /nfs/dbraw/zinc/58/12/80/527581280.db2.gz AMEAWAQEOWEBPJ-HNNXBMFYSA-N 0 1 307.390 2.628 20 10 DFCDMN CCCN(CCC)c1ccc(CNCc2cnnn2C)cc1 ZINC000288455000 535327598 /nfs/dbraw/zinc/32/75/98/535327598.db2.gz NJTAGXPXRKLLMR-UHFFFAOYSA-N 0 1 301.438 2.731 20 10 DFCDMN CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(Cl)c1[O-] ZINC000287896194 535805082 /nfs/dbraw/zinc/80/50/82/535805082.db2.gz ZHUOGXWZSJGPKZ-SWLSCSKDSA-N 0 1 312.841 2.543 20 10 DFCDMN COC[C@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000831665905 601373489 /nfs/dbraw/zinc/37/34/89/601373489.db2.gz CINROSDSUHQXHM-CYBMUJFWSA-N 0 1 315.369 2.854 20 10 DFCDMN O=C([O-])NC[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000740643244 601915968 /nfs/dbraw/zinc/91/59/68/601915968.db2.gz ODRGYTYQQPUSEG-GFCCVEGCSA-N 0 1 300.358 2.635 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1O ZINC000825946796 602334981 /nfs/dbraw/zinc/33/49/81/602334981.db2.gz QIZDWAYKXHDGMJ-UHFFFAOYSA-N 0 1 309.337 2.563 20 10 DFCDMN CN(C[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21)C(=O)[O-] ZINC000828222707 603607311 /nfs/dbraw/zinc/60/73/11/603607311.db2.gz DDBWNEAFYRYOAU-CYBMUJFWSA-N 0 1 315.373 2.515 20 10 DFCDMN C[C@H](Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1)C(=O)[O-] ZINC000833537298 604580986 /nfs/dbraw/zinc/58/09/86/604580986.db2.gz HWRXSYYDWOVGAB-ZDUSSCGKSA-N 0 1 315.369 2.876 20 10 DFCDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000833811444 605595631 /nfs/dbraw/zinc/59/56/31/605595631.db2.gz CNYBBFDURGUTBR-TZMCWYRMSA-N 0 1 323.412 2.760 20 10 DFCDMN CCOC(=O)N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000083551730 192372608 /nfs/dbraw/zinc/37/26/08/192372608.db2.gz RIRMGINDCJJQPF-UHFFFAOYSA-N 0 1 312.797 2.756 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000093056518 398617468 /nfs/dbraw/zinc/61/74/68/398617468.db2.gz XBTFSQHSOALNHF-UHFFFAOYSA-N 0 1 318.808 2.548 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000093056518 398617471 /nfs/dbraw/zinc/61/74/71/398617471.db2.gz XBTFSQHSOALNHF-UHFFFAOYSA-N 0 1 318.808 2.548 20 10 DFCDMN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000093482003 398639080 /nfs/dbraw/zinc/63/90/80/398639080.db2.gz DNYULVDLLRUKEI-GXFFZTMASA-N 0 1 314.223 2.890 20 10 DFCDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000093482003 398639084 /nfs/dbraw/zinc/63/90/84/398639084.db2.gz DNYULVDLLRUKEI-GXFFZTMASA-N 0 1 314.223 2.890 20 10 DFCDMN Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000093870192 398648811 /nfs/dbraw/zinc/64/88/11/398648811.db2.gz MYXFRKVGCVBGKJ-LBPRGKRZSA-N 0 1 305.809 2.844 20 10 DFCDMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000093870192 398648813 /nfs/dbraw/zinc/64/88/13/398648813.db2.gz MYXFRKVGCVBGKJ-LBPRGKRZSA-N 0 1 305.809 2.844 20 10 DFCDMN CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079434324 399043946 /nfs/dbraw/zinc/04/39/46/399043946.db2.gz YUTLSLNBRFLLGA-HZPDHXFCSA-N 0 1 309.381 2.859 20 10 DFCDMN CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079434324 399043952 /nfs/dbraw/zinc/04/39/52/399043952.db2.gz YUTLSLNBRFLLGA-HZPDHXFCSA-N 0 1 309.381 2.859 20 10 DFCDMN Oc1cc2c(cc1CN1CCCC[C@H]1c1cn[nH]c1)OCO2 ZINC000093438421 193253255 /nfs/dbraw/zinc/25/32/55/193253255.db2.gz AKEOFHZQDOOVFX-ZDUSSCGKSA-N 0 1 301.346 2.571 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000272297439 130017808 /nfs/dbraw/zinc/01/78/08/130017808.db2.gz PBHYXKDRBRNBTI-CYBMUJFWSA-N 0 1 301.365 2.860 20 10 DFCDMN C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273502155 130129566 /nfs/dbraw/zinc/12/95/66/130129566.db2.gz QKHXAEQKFJGGLC-PXAZEXFGSA-N 0 1 311.385 2.663 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Br)ccc1[O-] ZINC000273621295 130145913 /nfs/dbraw/zinc/14/59/13/130145913.db2.gz ZBEGISQDVLLDTK-NXEZZACHSA-N 0 1 301.228 2.755 20 10 DFCDMN CCOc1ccc(O)c(CN(CCCO)Cc2ccccn2)c1 ZINC000289186374 131364725 /nfs/dbraw/zinc/36/47/25/131364725.db2.gz BAHPAEZCRJIYHF-UHFFFAOYSA-N 0 1 316.401 2.571 20 10 DFCDMN CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000297319162 132009781 /nfs/dbraw/zinc/00/97/81/132009781.db2.gz NFQGKOKENIRHMJ-GXTWGEPZSA-N 0 1 319.792 2.708 20 10 DFCDMN CC[C@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000297319166 132009820 /nfs/dbraw/zinc/00/98/20/132009820.db2.gz NFQGKOKENIRHMJ-JSGCOSHPSA-N 0 1 319.792 2.708 20 10 DFCDMN COc1ccc(O)c(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000155972187 425930915 /nfs/dbraw/zinc/93/09/15/425930915.db2.gz BBQBYZUAVJIGNG-SFHVURJKSA-N 0 1 312.413 2.890 20 10 DFCDMN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)on1 ZINC000125494617 425975312 /nfs/dbraw/zinc/97/53/12/425975312.db2.gz VTMXADPTSONILX-CQSZACIVSA-N 0 1 301.390 2.670 20 10 DFCDMN C[C@@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccccc1O ZINC000109773354 426033419 /nfs/dbraw/zinc/03/34/19/426033419.db2.gz AOCZMXUAHZJHFR-AWEZNQCLSA-N 0 1 310.397 2.802 20 10 DFCDMN C[C@@H]1CN(CCC[NH2+]Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000113317006 426111657 /nfs/dbraw/zinc/11/16/57/426111657.db2.gz QUNXTYJOOCTBRJ-BETUJISGSA-N 0 1 312.841 2.635 20 10 DFCDMN CN(C)C(=O)C1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC1 ZINC000113348752 426112714 /nfs/dbraw/zinc/11/27/14/426112714.db2.gz 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BUQCVBFXNBQFMC-HNNXBMFYSA-N 0 1 306.387 2.992 20 10 DFCDMN CN(C)c1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1 ZINC000121616461 426350976 /nfs/dbraw/zinc/35/09/76/426350976.db2.gz QRBRARULMCGQCW-UHFFFAOYSA-N 0 1 311.429 2.780 20 10 DFCDMN COCCN(Cc1ccc(C)o1)Cc1cc2c(cc1O)OCO2 ZINC000093707276 426357231 /nfs/dbraw/zinc/35/72/31/426357231.db2.gz FCDUDVJURCYWCX-UHFFFAOYSA-N 0 1 319.357 2.671 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093819896 426358595 /nfs/dbraw/zinc/35/85/95/426358595.db2.gz WAVQRHRRZISOKT-CQSZACIVSA-N 0 1 312.207 2.767 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000093819896 426358596 /nfs/dbraw/zinc/35/85/96/426358596.db2.gz WAVQRHRRZISOKT-CQSZACIVSA-N 0 1 312.207 2.767 20 10 DFCDMN CCCOc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC000093612057 426358618 /nfs/dbraw/zinc/35/86/18/426358618.db2.gz DVXVWWRBELJHMY-AWEZNQCLSA-N 0 1 319.323 2.680 20 10 DFCDMN CCN(CC)c1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280192073 426516956 /nfs/dbraw/zinc/51/69/56/426516956.db2.gz HKUNLOQAHYNKHH-QFBILLFUSA-N 0 1 318.461 2.913 20 10 DFCDMN CCN(CC)c1ccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280192073 426516961 /nfs/dbraw/zinc/51/69/61/426516961.db2.gz HKUNLOQAHYNKHH-QFBILLFUSA-N 0 1 318.461 2.913 20 10 DFCDMN COc1cc(Cl)cc(CN[C@@H](CCO)c2ccco2)c1O ZINC000187528311 426670297 /nfs/dbraw/zinc/67/02/97/426670297.db2.gz RVZBAEXZGQMKBK-LBPRGKRZSA-N 0 1 311.765 2.861 20 10 DFCDMN COc1cccc(CNCc2nc3cc(C)ccc3n2C)c1O ZINC000187574922 426674041 /nfs/dbraw/zinc/67/40/41/426674041.db2.gz WHWVOWNDEXIWNJ-UHFFFAOYSA-N 0 1 311.385 2.886 20 10 DFCDMN COc1ccc(O)c(CNCc2nc3cc(C)ccc3n2C)c1 ZINC000187580484 426674419 /nfs/dbraw/zinc/67/44/19/426674419.db2.gz JQPXPJITGFDUBW-UHFFFAOYSA-N 0 1 311.385 2.886 20 10 DFCDMN c1cc(N2CCOCC2)ccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245540888 426750297 /nfs/dbraw/zinc/75/02/97/426750297.db2.gz NENDGIKVEAWEKD-MOPGFXCFSA-N 0 1 316.445 2.667 20 10 DFCDMN CCOc1ccc(O)c(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 ZINC000246134840 426802427 /nfs/dbraw/zinc/80/24/27/426802427.db2.gz KZRJIJHVKPORLD-QGPMSJSTSA-N 0 1 321.417 2.559 20 10 DFCDMN CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179692118 426811780 /nfs/dbraw/zinc/81/17/80/426811780.db2.gz MYMJTXUQJHQIOE-LBPRGKRZSA-N 0 1 312.797 2.756 20 10 DFCDMN Cc1cc(Cl)cc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000295209239 426863391 /nfs/dbraw/zinc/86/33/91/426863391.db2.gz ZVJCGDFWMRUNPU-CYBMUJFWSA-N 0 1 312.797 2.627 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000247018083 426892055 /nfs/dbraw/zinc/89/20/55/426892055.db2.gz ZIUBTEKAPQXKBD-LRDDRELGSA-N 0 1 307.365 2.735 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000247018083 426892064 /nfs/dbraw/zinc/89/20/64/426892064.db2.gz ZIUBTEKAPQXKBD-LRDDRELGSA-N 0 1 307.365 2.735 20 10 DFCDMN CC[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295551798 427002429 /nfs/dbraw/zinc/00/24/29/427002429.db2.gz PLOITOKNOLZOQC-SFHVURJKSA-N 0 1 318.461 2.913 20 10 DFCDMN C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc2ccccc2c1[O-] ZINC000295802875 427016429 /nfs/dbraw/zinc/01/64/29/427016429.db2.gz AHHKCBZUHDJPMZ-CQSZACIVSA-N 0 1 314.429 2.653 20 10 DFCDMN CCOc1cccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c1O ZINC000248815532 427044794 /nfs/dbraw/zinc/04/47/94/427044794.db2.gz IIZYAVGGWSQRRI-BJJXKVORSA-N 0 1 319.401 2.564 20 10 DFCDMN CO[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1(C)C ZINC000296027273 427048748 /nfs/dbraw/zinc/04/87/48/427048748.db2.gz NJKYZGFKNJQIIH-OAHLLOKOSA-N 0 1 309.381 2.981 20 10 DFCDMN CO[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296027273 427048757 /nfs/dbraw/zinc/04/87/57/427048757.db2.gz NJKYZGFKNJQIIH-OAHLLOKOSA-N 0 1 309.381 2.981 20 10 DFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296027273 427048762 /nfs/dbraw/zinc/04/87/62/427048762.db2.gz NJKYZGFKNJQIIH-OAHLLOKOSA-N 0 1 309.381 2.981 20 10 DFCDMN Oc1ccccc1CN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277568988 427247247 /nfs/dbraw/zinc/24/72/47/427247247.db2.gz SKCFFKWSWJHQPD-UHFFFAOYSA-N 0 1 323.318 2.527 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cnn(C)c2C)c1[O-] ZINC000183385319 427259295 /nfs/dbraw/zinc/25/92/95/427259295.db2.gz HOIGXKVLZCBYHC-SECBINFHSA-N 0 1 305.353 2.627 20 10 DFCDMN C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000293842628 427459592 /nfs/dbraw/zinc/45/95/92/427459592.db2.gz WYNSSHNOMZCHFM-KBVBSXBZSA-N 0 1 300.196 2.983 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000271180979 427436077 /nfs/dbraw/zinc/43/60/77/427436077.db2.gz DLGHTVQCRKKFHT-CYBMUJFWSA-N 0 1 309.768 2.878 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCS[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000278443817 427440014 /nfs/dbraw/zinc/44/00/14/427440014.db2.gz WLTMXQVULLRZII-JTQLQIEISA-N 0 1 312.391 2.636 20 10 DFCDMN Cc1c(-c2cc(CN(C)Cc3ccccc3O)on2)cnn1C ZINC000184654724 427510515 /nfs/dbraw/zinc/51/05/15/427510515.db2.gz IVSPXPDDPIWHAM-UHFFFAOYSA-N 0 1 312.373 2.721 20 10 DFCDMN C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000279086741 427552192 /nfs/dbraw/zinc/55/21/92/427552192.db2.gz NCUTZMWFANRMNR-VHSXEESVSA-N 0 1 302.212 2.966 20 10 DFCDMN Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)[nH]1 ZINC000294133177 427561693 /nfs/dbraw/zinc/56/16/93/427561693.db2.gz HAQUGNRQPUZBQE-SNVBAGLBSA-N 0 1 324.787 2.991 20 10 DFCDMN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000294133177 427561700 /nfs/dbraw/zinc/56/17/00/427561700.db2.gz HAQUGNRQPUZBQE-SNVBAGLBSA-N 0 1 324.787 2.991 20 10 DFCDMN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000294133177 427561704 /nfs/dbraw/zinc/56/17/04/427561704.db2.gz HAQUGNRQPUZBQE-SNVBAGLBSA-N 0 1 324.787 2.991 20 10 DFCDMN C[C@@H]([NH2+]C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000185078922 427592848 /nfs/dbraw/zinc/59/28/48/427592848.db2.gz XGVMHLQOJHJVGR-SECBINFHSA-N 0 1 300.196 2.984 20 10 DFCDMN COCCN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185144730 427602157 /nfs/dbraw/zinc/60/21/57/427602157.db2.gz MJTXGUVRMCNUBD-LBPRGKRZSA-N 0 1 312.841 2.807 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(Br)cc1[O-] ZINC000185387083 427641962 /nfs/dbraw/zinc/64/19/62/427641962.db2.gz JCYAWWVVRREQKT-KOLCDFICSA-N 0 1 300.196 2.984 20 10 DFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000294459535 427642305 /nfs/dbraw/zinc/64/23/05/427642305.db2.gz YUCVKHSYVHPSJF-OCCSQVGLSA-N 0 1 317.813 2.891 20 10 DFCDMN CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000294706871 427647400 /nfs/dbraw/zinc/64/74/00/427647400.db2.gz DKNAFPOMQDETIW-LBPRGKRZSA-N 0 1 300.196 2.812 20 10 DFCDMN CC(C)[C@@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185462829 427656818 /nfs/dbraw/zinc/65/68/18/427656818.db2.gz HLBRAUJNJZJGAG-RNCFNFMXSA-N 0 1 302.212 2.822 20 10 DFCDMN CN(C)C(=O)O[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000294792276 427659671 /nfs/dbraw/zinc/65/96/71/427659671.db2.gz MAVJOWKAWGLGIA-LLVKDONJSA-N 0 1 312.797 2.708 20 10 DFCDMN CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294792276 427659679 /nfs/dbraw/zinc/65/96/79/427659679.db2.gz MAVJOWKAWGLGIA-LLVKDONJSA-N 0 1 312.797 2.708 20 10 DFCDMN CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294792276 427659685 /nfs/dbraw/zinc/65/96/85/427659685.db2.gz MAVJOWKAWGLGIA-LLVKDONJSA-N 0 1 312.797 2.708 20 10 DFCDMN CCN(CC)c1ccc(CN2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000279619380 427715514 /nfs/dbraw/zinc/71/55/14/427715514.db2.gz GPPNZEDMEUJZOL-VQIMIIECSA-N 0 1 318.461 2.913 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000279831183 427719759 /nfs/dbraw/zinc/71/97/59/427719759.db2.gz QZSOFEMPXKRLJX-NHYWBVRUSA-N 0 1 309.381 2.859 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000186088781 427746982 /nfs/dbraw/zinc/74/69/82/427746982.db2.gz KKHKBISWXWRNKK-OCCSQVGLSA-N 0 1 310.397 2.959 20 10 DFCDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)ccc1O ZINC000369567882 428001602 /nfs/dbraw/zinc/00/16/02/428001602.db2.gz UWBJFXRTWDRWBR-CYBMUJFWSA-N 0 1 324.852 2.731 20 10 DFCDMN Oc1c(Cl)cccc1CN1CCn2c(nnc2C2CC2)C1 ZINC000371424822 428388806 /nfs/dbraw/zinc/38/88/06/428388806.db2.gz JAAPDBAIBNVLEW-UHFFFAOYSA-N 0 1 304.781 2.530 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1N1CCOCC1 ZINC000371472998 428391787 /nfs/dbraw/zinc/39/17/87/428391787.db2.gz JQWNLPLBFFYERO-BBRMVZONSA-N 0 1 324.852 2.588 20 10 DFCDMN CCc1cc(C(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000371610909 428398521 /nfs/dbraw/zinc/39/85/21/428398521.db2.gz HDAXINZUOWYWLJ-UHFFFAOYSA-N 0 1 310.401 2.578 20 10 DFCDMN C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1cc(Cl)ccc1[O-] ZINC000371875824 428406546 /nfs/dbraw/zinc/40/65/46/428406546.db2.gz GOJOJMJPUKFGFV-AAEUAGOBSA-N 0 1 320.824 2.709 20 10 DFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000372128995 428416865 /nfs/dbraw/zinc/41/68/65/428416865.db2.gz RSQAIQBSFDASRP-UHFFFAOYSA-N 0 1 311.809 2.817 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000373227921 428524994 /nfs/dbraw/zinc/52/49/94/428524994.db2.gz KXHJOESJYLTJNU-CQSZACIVSA-N 0 1 315.417 2.904 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374412916 428679473 /nfs/dbraw/zinc/67/94/73/428679473.db2.gz WGUKKCVFKJHYEM-CHWSQXEVSA-N 0 1 307.365 2.592 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374412916 428679478 /nfs/dbraw/zinc/67/94/78/428679478.db2.gz WGUKKCVFKJHYEM-CHWSQXEVSA-N 0 1 307.365 2.592 20 10 DFCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1[C@@H](CC)c1ccccc1O ZINC000367297964 429614884 /nfs/dbraw/zinc/61/48/84/429614884.db2.gz AUKLULRWVWGVGN-DZKIICNBSA-N 0 1 321.417 2.886 20 10 DFCDMN CC[C@H](c1ccccc1O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000367359679 429629780 /nfs/dbraw/zinc/62/97/80/429629780.db2.gz AOBHJNLDQDTSJN-CFVMTHIKSA-N 0 1 317.389 2.997 20 10 DFCDMN COc1ccc(N2CCCN(Cc3ccnc(C)n3)CC2)cc1 ZINC000368445138 429851569 /nfs/dbraw/zinc/85/15/69/429851569.db2.gz FWSQAPVVJQVZBR-UHFFFAOYSA-N 0 1 312.417 2.506 20 10 DFCDMN CC[C@H](c1ccccc1O)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000368795011 429894480 /nfs/dbraw/zinc/89/44/80/429894480.db2.gz DHCCBGLNVYDVPH-FUHWJXTLSA-N 0 1 317.477 2.555 20 10 DFCDMN CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000368795011 429894482 /nfs/dbraw/zinc/89/44/82/429894482.db2.gz DHCCBGLNVYDVPH-FUHWJXTLSA-N 0 1 317.477 2.555 20 10 DFCDMN Cc1ccc([C@@H](C)NCc2nnc3n2CCCC3)c(O)c1C ZINC000368852039 429898946 /nfs/dbraw/zinc/89/89/46/429898946.db2.gz CAOPURXIYQUBCG-CYBMUJFWSA-N 0 1 300.406 2.788 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1 ZINC000179396196 288210300 /nfs/dbraw/zinc/21/03/00/288210300.db2.gz JEKDEPUQGLDDNW-SECBINFHSA-N 0 1 300.742 2.565 20 10 DFCDMN C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc2ccccc2c1[O-] ZINC000294300154 335120732 /nfs/dbraw/zinc/12/07/32/335120732.db2.gz NHQBUXSDHLRPLL-CFVMTHIKSA-N 0 1 301.386 2.736 20 10 DFCDMN C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185449672 333208943 /nfs/dbraw/zinc/20/89/43/333208943.db2.gz UGNYQRRYVCFCSS-LBPRGKRZSA-N 0 1 312.841 2.807 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295202701 335131117 /nfs/dbraw/zinc/13/11/17/335131117.db2.gz YWGSBUVKSIACJH-CYBMUJFWSA-N 0 1 309.768 2.878 20 10 DFCDMN CN(Cc1ccc(N2CCCCC2)cc1)c1ccncc1C(N)=O ZINC000302237393 336355827 /nfs/dbraw/zinc/35/58/27/336355827.db2.gz WFERQVNAJNEIEX-UHFFFAOYSA-N 0 1 324.428 2.807 20 10 DFCDMN Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cccc(Cl)c1O ZINC000375016273 337001667 /nfs/dbraw/zinc/00/16/67/337001667.db2.gz DUOSFTNRPROJDH-AWEZNQCLSA-N 0 1 321.808 2.959 20 10 DFCDMN CCOc1ccc(O)c(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000375394478 337010359 /nfs/dbraw/zinc/01/03/59/337010359.db2.gz PFMOFRNPZMTYFV-QGZVFWFLSA-N 0 1 324.384 2.788 20 10 DFCDMN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCc2[nH]cnc21 ZINC000375682055 337016434 /nfs/dbraw/zinc/01/64/34/337016434.db2.gz BVPHMLPSCXCLPI-MRXNPFEDSA-N 0 1 324.428 2.746 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000305228294 337020074 /nfs/dbraw/zinc/02/00/74/337020074.db2.gz PWQRFBCEORLMDR-KRWDZBQOSA-N 0 1 303.789 2.969 20 10 DFCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@]2(CCOC2)O1 ZINC000376022069 337025490 /nfs/dbraw/zinc/02/54/90/337025490.db2.gz RDEWJIUZGGTFCF-MRXNPFEDSA-N 0 1 311.809 2.816 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000377681976 337058250 /nfs/dbraw/zinc/05/82/50/337058250.db2.gz RSHHTFCEOIQUJW-KRWDZBQOSA-N 0 1 309.381 2.574 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000377681976 337058251 /nfs/dbraw/zinc/05/82/51/337058251.db2.gz RSHHTFCEOIQUJW-KRWDZBQOSA-N 0 1 309.381 2.574 20 10 DFCDMN Cc1nc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n[nH]1 ZINC000378442656 337072886 /nfs/dbraw/zinc/07/28/86/337072886.db2.gz LAZWWGFRNABKCK-UHFFFAOYSA-N 0 1 306.797 2.852 20 10 DFCDMN Cc1nnc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)[nH]1 ZINC000378442656 337072887 /nfs/dbraw/zinc/07/28/87/337072887.db2.gz LAZWWGFRNABKCK-UHFFFAOYSA-N 0 1 306.797 2.852 20 10 DFCDMN CC(C)C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227439245 337205104 /nfs/dbraw/zinc/20/51/04/337205104.db2.gz JIGKYZJUSZGKHO-LBPRGKRZSA-N 0 1 302.212 2.651 20 10 DFCDMN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C)cc1O ZINC000185775688 337251253 /nfs/dbraw/zinc/25/12/53/337251253.db2.gz BOCNWAHSKZLNBY-OCCSQVGLSA-N 0 1 316.405 2.624 20 10 DFCDMN Oc1ccc(Cl)c(F)c1CNCc1nnc2n1CCCCC2 ZINC000190690307 337289688 /nfs/dbraw/zinc/28/96/88/337289688.db2.gz RLKZEGIHVQQCRT-UHFFFAOYSA-N 0 1 324.787 2.792 20 10 DFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000191154679 337292622 /nfs/dbraw/zinc/29/26/22/337292622.db2.gz BPEGEUVOBFEROU-NSHDSACASA-N 0 1 324.787 2.688 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000105904994 337386839 /nfs/dbraw/zinc/38/68/39/337386839.db2.gz LCXOMWRRFRUMAW-AWEZNQCLSA-N 0 1 318.808 2.594 20 10 DFCDMN Cc1[nH]ncc1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471658839 339350429 /nfs/dbraw/zinc/35/04/29/339350429.db2.gz NXWFORGYLGAXHC-UHFFFAOYSA-N 0 1 311.389 2.518 20 10 DFCDMN CCOc1cccc(CN[C@H](C)c2nnc3ccccn32)c1O ZINC000236930466 340666437 /nfs/dbraw/zinc/66/64/37/340666437.db2.gz DXBIYBYDGGNJJK-GFCCVEGCSA-N 0 1 312.373 2.684 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1[O-] ZINC000124588088 518278540 /nfs/dbraw/zinc/27/85/40/518278540.db2.gz JJZVPZZNOIMQNH-BMIGLBTASA-N 0 1 310.825 2.630 20 10 DFCDMN CCS(=O)(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000163460449 521644141 /nfs/dbraw/zinc/64/41/41/521644141.db2.gz FSUXYAVJGGYLFN-HNNXBMFYSA-N 0 1 324.490 2.762 20 10 DFCDMN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000131829818 522169306 /nfs/dbraw/zinc/16/93/06/522169306.db2.gz BOIQIXVYLWOSBI-HNNXBMFYSA-N 0 1 312.417 2.554 20 10 DFCDMN CN(C)c1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1F ZINC000265244949 522212988 /nfs/dbraw/zinc/21/29/88/522212988.db2.gz MMZPLODUXCVSNR-MRXNPFEDSA-N 0 1 306.356 2.854 20 10 DFCDMN CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(F)ccc1O ZINC000180212399 523275527 /nfs/dbraw/zinc/27/55/27/523275527.db2.gz MTHZNLWRAVQFRO-NRFANRHFSA-N 0 1 307.390 2.901 20 10 DFCDMN COc1cccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000265001151 524166005 /nfs/dbraw/zinc/16/60/05/524166005.db2.gz ZRZIOMVNPJJNFE-MRXNPFEDSA-N 0 1 307.777 2.877 20 10 DFCDMN COc1ccc(N2CCN(C[C@H]3CC[C@@H](C)O3)CC2)cc1F ZINC000190671939 524426373 /nfs/dbraw/zinc/42/63/73/524426373.db2.gz YEOXMFLDUHOIGK-UKRRQHHQSA-N 0 1 308.397 2.524 20 10 DFCDMN COc1ccc(N2CCN(C[C@@H]3CC[C@H](C)O3)CC2)cc1F ZINC000190671993 524426464 /nfs/dbraw/zinc/42/64/64/524426464.db2.gz YEOXMFLDUHOIGK-ZFWWWQNUSA-N 0 1 308.397 2.524 20 10 DFCDMN COc1cccc(CN2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000181923704 525948768 /nfs/dbraw/zinc/94/87/68/525948768.db2.gz LPVZRJQLNBNGBV-KRWDZBQOSA-N 0 1 313.397 2.844 20 10 DFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000158111094 527025366 /nfs/dbraw/zinc/02/53/66/527025366.db2.gz UXIYZPIZDBYOBR-HNNXBMFYSA-N 0 1 322.836 2.926 20 10 DFCDMN CN1CCCc2cc(CNC(=O)c3ccc4cncn4c3)ccc21 ZINC000283894794 536396355 /nfs/dbraw/zinc/39/63/55/536396355.db2.gz KERDALALFNLORW-UHFFFAOYSA-N 0 1 320.396 2.647 20 10 DFCDMN C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1C(=O)[O-] ZINC000828457339 601820575 /nfs/dbraw/zinc/82/05/75/601820575.db2.gz STALUFWGYUATAC-GWCFXTLKSA-N 0 1 307.390 2.548 20 10 DFCDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000833554030 604674867 /nfs/dbraw/zinc/67/48/67/604674867.db2.gz MFHXBAFRKYVLEQ-SFHVURJKSA-N 0 1 302.418 2.974 20 10 DFCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc(NC(=O)[O-])nc2)cc1 ZINC000828356054 605494488 /nfs/dbraw/zinc/49/44/88/605494488.db2.gz URWVMXGMCRCYCL-UHFFFAOYSA-N 0 1 314.389 2.870 20 10 DFCDMN O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000834106339 605562670 /nfs/dbraw/zinc/56/26/70/605562670.db2.gz JCQATXLTXJUFDK-ZFWWWQNUSA-N 0 1 304.390 2.747 20 10 DFCDMN O=C([O-])N1CCC[C@H]1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000834106483 605562906 /nfs/dbraw/zinc/56/29/06/605562906.db2.gz JRPCSPYSWXMUHR-HNNXBMFYSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC000834161835 605585820 /nfs/dbraw/zinc/58/58/20/605585820.db2.gz IGTINVIIWLKKFU-YHWZYXNKSA-N 0 1 308.353 2.684 20 10 DFCDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC000834161835 605585825 /nfs/dbraw/zinc/58/58/25/605585825.db2.gz IGTINVIIWLKKFU-YHWZYXNKSA-N 0 1 308.353 2.684 20 10 DFCDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000833815791 605602588 /nfs/dbraw/zinc/60/25/88/605602588.db2.gz WYGYCOFIYLVEBZ-QWRGUYRKSA-N 0 1 312.797 2.914 20 10 DFCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093482456 398639149 /nfs/dbraw/zinc/63/91/49/398639149.db2.gz PISQMPDBDQCNDO-SKDRFNHKSA-N 0 1 314.769 2.689 20 10 DFCDMN CCC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133656848 283085749 /nfs/dbraw/zinc/08/57/49/283085749.db2.gz BRIVCRDCJNKGFL-UHFFFAOYSA-N 0 1 319.232 2.999 20 10 DFCDMN C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000184850401 296133513 /nfs/dbraw/zinc/13/35/13/296133513.db2.gz QIAYRNHBZVGAAE-MWLCHTKSSA-N 0 1 300.196 2.984 20 10 DFCDMN CCN1CCN(c2ccc(CNC(=O)CC(C)C)cc2F)CC1 ZINC000106702215 194244642 /nfs/dbraw/zinc/24/46/42/194244642.db2.gz WDMOHJBAOJNBLI-UHFFFAOYSA-N 0 1 321.440 2.630 20 10 DFCDMN C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000273515001 130131092 /nfs/dbraw/zinc/13/10/92/130131092.db2.gz SJQYMXAAXDXSTK-SCLBCKFNSA-N 0 1 315.413 2.984 20 10 DFCDMN Cc1cc(Cl)nc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000281921215 130892465 /nfs/dbraw/zinc/89/24/65/130892465.db2.gz GUJLFESOZCFLQQ-UHFFFAOYSA-N 0 1 306.749 2.768 20 10 DFCDMN CN(C)c1ccc(CN2CC=C(c3ccnn3C)CC2)cc1F ZINC000289361798 131379000 /nfs/dbraw/zinc/37/90/00/131379000.db2.gz KMYFHXSOUQVJDU-UHFFFAOYSA-N 0 1 314.408 2.915 20 10 DFCDMN CN(C)[C@@H](CNC(=O)NCc1ccccc1O)c1cccs1 ZINC000299536818 132109862 /nfs/dbraw/zinc/10/98/62/132109862.db2.gz UJNLOGFVNJEUSH-ZDUSSCGKSA-N 0 1 319.430 2.556 20 10 DFCDMN Cc1ccccc1CN(C)C(=O)CN(C)Cc1ccccc1O ZINC000111235134 426038911 /nfs/dbraw/zinc/03/89/11/426038911.db2.gz WVXSOEBNOAQUMK-UHFFFAOYSA-N 0 1 312.413 2.791 20 10 DFCDMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C)Cc1ccccc1O ZINC000111235795 426039971 /nfs/dbraw/zinc/03/99/71/426039971.db2.gz KWUCXQXLISVCIH-HOCLYGCPSA-N 0 1 304.434 2.861 20 10 DFCDMN CCCN(CCCS(=O)(=O)C(C)C)Cc1ccccc1O ZINC000119742782 426302856 /nfs/dbraw/zinc/30/28/56/426302856.db2.gz ANDSGYPCVWYGBJ-UHFFFAOYSA-N 0 1 313.463 2.818 20 10 DFCDMN CN(C)c1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000092075254 426346303 /nfs/dbraw/zinc/34/63/03/426346303.db2.gz GKZLLSSBTAZHQM-IBGZPJMESA-N 0 1 323.440 2.816 20 10 DFCDMN Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017495 426352916 /nfs/dbraw/zinc/35/29/16/426352916.db2.gz BZVAXUDQUIWALC-CQSZACIVSA-N 0 1 324.852 2.590 20 10 DFCDMN CCCOc1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC000093612056 426358716 /nfs/dbraw/zinc/35/87/16/426358716.db2.gz DVXVWWRBELJHMY-CQSZACIVSA-N 0 1 319.323 2.680 20 10 DFCDMN Cc1nc(CN2CCN(Cc3cc(C)ccc3O)CC2)cs1 ZINC000123958516 426463114 /nfs/dbraw/zinc/46/31/14/426463114.db2.gz GTHQQULMUOTEGR-UHFFFAOYSA-N 0 1 317.458 2.783 20 10 DFCDMN CN(C)c1ccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000280257986 426532866 /nfs/dbraw/zinc/53/28/66/426532866.db2.gz LQEGQMQJSSXFOT-SFHVURJKSA-N 0 1 322.424 2.662 20 10 DFCDMN CN(C)c1ccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000280257986 426532869 /nfs/dbraw/zinc/53/28/69/426532869.db2.gz LQEGQMQJSSXFOT-SFHVURJKSA-N 0 1 322.424 2.662 20 10 DFCDMN COCC[N@H+](CCN(C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289484109 426666943 /nfs/dbraw/zinc/66/69/43/426666943.db2.gz QVLWTSNHBAUNHV-UHFFFAOYSA-N 0 1 321.248 2.709 20 10 DFCDMN COCC[N@@H+](CCN(C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289484109 426666948 /nfs/dbraw/zinc/66/69/48/426666948.db2.gz QVLWTSNHBAUNHV-UHFFFAOYSA-N 0 1 321.248 2.709 20 10 DFCDMN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000289674792 426671601 /nfs/dbraw/zinc/67/16/01/426671601.db2.gz ZHHBPYGBJYLXDP-CYBMUJFWSA-N 0 1 310.369 2.632 20 10 DFCDMN CCN(CC)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccco1 ZINC000187033869 426622598 /nfs/dbraw/zinc/62/25/98/426622598.db2.gz LUBHPYUJAHLSCM-ZDUSSCGKSA-N 0 1 318.373 2.504 20 10 DFCDMN Oc1ccc(F)cc1CN1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281764725 426760778 /nfs/dbraw/zinc/76/07/78/426760778.db2.gz LSWZSKQTDORETA-HOTGVXAUSA-N 0 1 305.324 2.978 20 10 DFCDMN COCCN(Cc1ccco1)Cc1cc(OC)c(OC)cc1O ZINC000179739848 426817566 /nfs/dbraw/zinc/81/75/66/426817566.db2.gz MPMRETFZQGEJCJ-UHFFFAOYSA-N 0 1 321.373 2.651 20 10 DFCDMN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000247289450 426923950 /nfs/dbraw/zinc/92/39/50/426923950.db2.gz ZAXUPRYQGZNJCV-KURKYZTESA-N 0 1 304.434 2.521 20 10 DFCDMN CCCOc1ccc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c(O)c1 ZINC000247287881 426924934 /nfs/dbraw/zinc/92/49/34/426924934.db2.gz YYUTVSIOUWCEPO-QZTJIDSGSA-N 0 1 321.417 2.561 20 10 DFCDMN COc1ccc(CN[C@]2(CO)CCOc3ccccc32)cc1C ZINC000282329846 426884057 /nfs/dbraw/zinc/88/40/57/426884057.db2.gz LNZMJMRUPIGLIG-IBGZPJMESA-N 0 1 313.397 2.764 20 10 DFCDMN CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295497224 426983780 /nfs/dbraw/zinc/98/37/80/426983780.db2.gz YBGJLGQBBUGNQT-NSHDSACASA-N 0 1 300.805 2.958 20 10 DFCDMN CCOc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c1O ZINC000248815534 427044915 /nfs/dbraw/zinc/04/49/15/427044915.db2.gz IIZYAVGGWSQRRI-NOLJZWGESA-N 0 1 319.401 2.564 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCOC[C@H](C3CCC3)C2)c1O ZINC000292177447 427122093 /nfs/dbraw/zinc/12/20/93/427122093.db2.gz QCODZWBBMKEZRF-OAHLLOKOSA-N 0 1 321.392 2.982 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000292177447 427122099 /nfs/dbraw/zinc/12/20/99/427122099.db2.gz QCODZWBBMKEZRF-OAHLLOKOSA-N 0 1 321.392 2.982 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000292177447 427122104 /nfs/dbraw/zinc/12/21/04/427122104.db2.gz QCODZWBBMKEZRF-OAHLLOKOSA-N 0 1 321.392 2.982 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249985717 427153660 /nfs/dbraw/zinc/15/36/60/427153660.db2.gz ZDEHUJCXSAKBMO-SCRDCRAPSA-N 0 1 312.207 2.812 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278133647 427415481 /nfs/dbraw/zinc/41/54/81/427415481.db2.gz CMJIMQZBUISDBS-GWCFXTLKSA-N 0 1 307.287 2.667 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000294010168 427521547 /nfs/dbraw/zinc/52/15/47/427521547.db2.gz MVIZXPDFNPDBQI-ZWKOTPCHSA-N 0 1 303.402 2.934 20 10 DFCDMN CCOc1ccc(O)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000294010168 427521553 /nfs/dbraw/zinc/52/15/53/427521553.db2.gz MVIZXPDFNPDBQI-ZWKOTPCHSA-N 0 1 303.402 2.934 20 10 DFCDMN CC[C@H](N[C@@H]1CCCn2nc(COC)nc21)c1ccccc1O ZINC000185213933 427613725 /nfs/dbraw/zinc/61/37/25/427613725.db2.gz JMSIOXGRLOTETO-UONOGXRCSA-N 0 1 316.405 2.706 20 10 DFCDMN CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185389020 427646279 /nfs/dbraw/zinc/64/62/79/427646279.db2.gz BYRJZESWGYLXFO-TVQRCGJNSA-N 0 1 302.212 2.966 20 10 DFCDMN CC(C)[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185462783 427656471 /nfs/dbraw/zinc/65/64/71/427656471.db2.gz HLBRAUJNJZJGAG-TVQRCGJNSA-N 0 1 302.212 2.822 20 10 DFCDMN CCOCCOCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000294792337 427660701 /nfs/dbraw/zinc/66/07/01/427660701.db2.gz VFQBQCCQFWZCIV-UHFFFAOYSA-N 0 1 305.777 2.670 20 10 DFCDMN C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000186027597 427740641 /nfs/dbraw/zinc/74/06/41/427740641.db2.gz GTVYCRMUQZVZHX-JTQLQIEISA-N 0 1 319.854 2.910 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000360669765 428393654 /nfs/dbraw/zinc/39/36/54/428393654.db2.gz FEPNJGJKZNFSOQ-QGZVFWFLSA-N 0 1 305.324 2.764 20 10 DFCDMN CN(C)c1ccc(CN2CCOC3(CCOCC3)CC2)cc1F ZINC000372129482 428416011 /nfs/dbraw/zinc/41/60/11/428416011.db2.gz XKEFUJJDBFNAQQ-UHFFFAOYSA-N 0 1 322.424 2.663 20 10 DFCDMN COC(=O)c1cc(CNCc2ccc3c(c2)CCN3C)oc1C ZINC000373533045 428599446 /nfs/dbraw/zinc/59/94/46/428599446.db2.gz YIEKEZRHZMIZMT-UHFFFAOYSA-N 0 1 314.385 2.657 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000373897364 428655088 /nfs/dbraw/zinc/65/50/88/428655088.db2.gz JXECAPVZCICTGN-TVQRCGJNSA-N 0 1 312.753 2.565 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000374135038 428665240 /nfs/dbraw/zinc/66/52/40/428665240.db2.gz DWEVLBCWXQFPPR-QGZVFWFLSA-N 0 1 319.788 2.806 20 10 DFCDMN C[C@H]1Oc2c(cccc2F)[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000363532145 428936572 /nfs/dbraw/zinc/93/65/72/428936572.db2.gz GISBDODLDBHNRX-JDNHERCYSA-N 0 1 317.316 2.872 20 10 DFCDMN CC[C@H](c1ccccc1O)N1CCO[C@H](c2nncn2CC)C1 ZINC000365524456 429334624 /nfs/dbraw/zinc/33/46/24/429334624.db2.gz ANBZNZZTVALIOT-ZBFHGGJFSA-N 0 1 316.405 2.528 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000367472802 429657135 /nfs/dbraw/zinc/65/71/35/429657135.db2.gz WBDMCTOLZXTBKM-AWEZNQCLSA-N 0 1 315.417 2.904 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(Cl)ccc1[O-] ZINC000368331493 429830925 /nfs/dbraw/zinc/83/09/25/429830925.db2.gz JYISWNFWSIHGQV-XVMOGABASA-N 0 1 308.809 2.706 20 10 DFCDMN COC1CCN(c2ccc(CN3C[C@@H](C)OC[C@@H]3C)cc2)CC1 ZINC000296661486 277194618 /nfs/dbraw/zinc/19/46/18/277194618.db2.gz YMPJPWMTJSUIAV-JKSUJKDBSA-N 0 1 318.461 2.911 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@]1(CO)COc2ccccc2C1 ZINC000527768929 300687422 /nfs/dbraw/zinc/68/74/22/300687422.db2.gz HMOLKJLZJUUEKW-QGZVFWFLSA-N 0 1 319.788 2.501 20 10 DFCDMN C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000527958320 300718967 /nfs/dbraw/zinc/71/89/67/300718967.db2.gz VARRNZPSRDKLMB-AFAVFJNCSA-N 0 1 301.386 2.736 20 10 DFCDMN C[C@H]([NH2+]CC1CC(O)C1)c1cc(Br)ccc1[O-] ZINC000528019965 300729184 /nfs/dbraw/zinc/72/91/84/300729184.db2.gz VZIDMOYJVAZJFA-SILCLGDVSA-N 0 1 300.196 2.576 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1O ZINC000530207184 301028812 /nfs/dbraw/zinc/02/88/12/301028812.db2.gz POVFNLSFXSMOFZ-HNNXBMFYSA-N 0 1 311.765 2.687 20 10 DFCDMN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186223792 333372381 /nfs/dbraw/zinc/37/23/81/333372381.db2.gz JGFREIDXQVZWLL-GFCCVEGCSA-N 0 1 300.402 2.968 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(Br)cc1[O-] ZINC000296579429 335146471 /nfs/dbraw/zinc/14/64/71/335146471.db2.gz UEPIPIWLBKTKQA-FOGDFJRCSA-N 0 1 314.223 2.966 20 10 DFCDMN COc1ccc(N2CCN(CC3CCC(=O)CC3)CC2)cc1F ZINC000296679800 335145259 /nfs/dbraw/zinc/14/52/59/335145259.db2.gz AZVYKJDKVXMSQJ-UHFFFAOYSA-N 0 1 320.408 2.716 20 10 DFCDMN CN(C)c1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1 ZINC000366929322 335375099 /nfs/dbraw/zinc/37/50/99/335375099.db2.gz ZCISQBWKNFFPQW-LJQANCHMSA-N 0 1 312.413 2.513 20 10 DFCDMN Cc1nn(C)c(Cl)c1CNCc1ccc2c(c1)CCN2C ZINC000370429275 336884819 /nfs/dbraw/zinc/88/48/19/336884819.db2.gz YRLTWJHDWFJBFH-UHFFFAOYSA-N 0 1 304.825 2.664 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000375203416 337005762 /nfs/dbraw/zinc/00/57/62/337005762.db2.gz VJSKCFYTGPYHRA-UHFFFAOYSA-N 0 1 301.365 2.639 20 10 DFCDMN Cc1cccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1O ZINC000375299644 337007443 /nfs/dbraw/zinc/00/74/43/337007443.db2.gz KCZQXQPZFMDVRZ-LJQANCHMSA-N 0 1 308.381 2.796 20 10 DFCDMN CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000375852818 337021393 /nfs/dbraw/zinc/02/13/93/337021393.db2.gz XVHCTUXHTMKUIF-CMPLNLGQSA-N 0 1 320.824 2.865 20 10 DFCDMN Cc1noc([C@@H](NCc2cccc(C)c2O)C2CCOCC2)n1 ZINC000375888984 337022164 /nfs/dbraw/zinc/02/21/64/337022164.db2.gz GUFXTKBKVZYPPH-HNNXBMFYSA-N 0 1 317.389 2.650 20 10 DFCDMN C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc(F)ccc1[O-] ZINC000376005655 337025079 /nfs/dbraw/zinc/02/50/79/337025079.db2.gz WVPVNYBPTXTYJK-GUTXKFCHSA-N 0 1 320.408 2.973 20 10 DFCDMN CC[C@@H](c1ccccc1O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000377659824 337057775 /nfs/dbraw/zinc/05/77/75/337057775.db2.gz QQUQRDHFYXLCFA-WMZOPIPTSA-N 0 1 310.397 2.928 20 10 DFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCn2ccnc2C1 ZINC000377862804 337062870 /nfs/dbraw/zinc/06/28/70/337062870.db2.gz ZEVJLYAPAIEUEM-LBPRGKRZSA-N 0 1 305.809 2.937 20 10 DFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCn2ccnc2C1 ZINC000377862804 337062871 /nfs/dbraw/zinc/06/28/71/337062871.db2.gz ZEVJLYAPAIEUEM-LBPRGKRZSA-N 0 1 305.809 2.937 20 10 DFCDMN Oc1cc2c(cc1CN[C@H]1COc3c1cccc3Cl)OCO2 ZINC000378089540 337066344 /nfs/dbraw/zinc/06/63/44/337066344.db2.gz JLKVVUMOLWUPPM-LBPRGKRZSA-N 0 1 319.744 2.998 20 10 DFCDMN CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1N1CCOCC1 ZINC000378341809 337070337 /nfs/dbraw/zinc/07/03/37/337070337.db2.gz MDRWQJIEIQHOES-CJNGLKHVSA-N 0 1 324.852 2.588 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1N1CCOCC1 ZINC000378341809 337070338 /nfs/dbraw/zinc/07/03/38/337070338.db2.gz MDRWQJIEIQHOES-CJNGLKHVSA-N 0 1 324.852 2.588 20 10 DFCDMN O=S1(=O)C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])c2ccccc21 ZINC000378452284 337073236 /nfs/dbraw/zinc/07/32/36/337073236.db2.gz LHHIRMWVWHZTDR-ZDUSSCGKSA-N 0 1 323.801 2.664 20 10 DFCDMN O=S1(=O)C[C@H](NCc2cccc(Cl)c2O)c2ccccc21 ZINC000378452284 337073237 /nfs/dbraw/zinc/07/32/37/337073237.db2.gz LHHIRMWVWHZTDR-ZDUSSCGKSA-N 0 1 323.801 2.664 20 10 DFCDMN COc1cc(O)c(C[N@H+]2CCC23CCC(CO)CC3)cc1OC ZINC000378452698 337073248 /nfs/dbraw/zinc/07/32/48/337073248.db2.gz UVUHYKUJDFZDIA-UHFFFAOYSA-N 0 1 321.417 2.536 20 10 DFCDMN COc1ccc(O)c(CNCc2nc(C)n3c2CCCC3)c1 ZINC000378521358 337075123 /nfs/dbraw/zinc/07/51/23/337075123.db2.gz UXKGVIVMBRAOAK-UHFFFAOYSA-N 0 1 301.390 2.532 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1(O)CCCC1 ZINC000225806119 337194441 /nfs/dbraw/zinc/19/44/41/337194441.db2.gz CBBXZPLQRBBEEQ-UHFFFAOYSA-N 0 1 300.196 2.549 20 10 DFCDMN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000525943630 337289907 /nfs/dbraw/zinc/28/99/07/337289907.db2.gz QXDGPCJTWROZMD-AWEZNQCLSA-N 0 1 322.412 2.946 20 10 DFCDMN CC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000529661625 340766989 /nfs/dbraw/zinc/76/69/89/340766989.db2.gz AGDVLMUZMGFNOU-UHFFFAOYSA-N 0 1 324.852 2.732 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1[O-] ZINC000124588323 518278204 /nfs/dbraw/zinc/27/82/04/518278204.db2.gz JJZVPZZNOIMQNH-BONVTDFDSA-N 0 1 310.825 2.630 20 10 DFCDMN CCCC(=O)N[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124283549 519875874 /nfs/dbraw/zinc/87/58/74/519875874.db2.gz QAYIBEUQLPJGGB-GFCCVEGCSA-N 0 1 310.825 2.926 20 10 DFCDMN CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124283549 519875877 /nfs/dbraw/zinc/87/58/77/519875877.db2.gz QAYIBEUQLPJGGB-GFCCVEGCSA-N 0 1 310.825 2.926 20 10 DFCDMN CCCC(=O)N[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000124283549 519875879 /nfs/dbraw/zinc/87/58/79/519875879.db2.gz QAYIBEUQLPJGGB-GFCCVEGCSA-N 0 1 310.825 2.926 20 10 DFCDMN CCN(C)C(=O)[C@@H](C)NCc1ccc(N(CC)CC)c(F)c1 ZINC000188897739 520199769 /nfs/dbraw/zinc/19/97/69/520199769.db2.gz RYOFZZSVOUAADQ-CYBMUJFWSA-N 0 1 309.429 2.628 20 10 DFCDMN CCOc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1O ZINC000191677679 521346428 /nfs/dbraw/zinc/34/64/28/521346428.db2.gz IIZYAVGGWSQRRI-DUVNUKRYSA-N 0 1 319.401 2.564 20 10 DFCDMN COc1cc(O)c(CNC(C)(C)c2nccs2)cc1OC ZINC000182213342 522776533 /nfs/dbraw/zinc/77/65/33/522776533.db2.gz FOGFVWCJLWUBDH-UHFFFAOYSA-N 0 1 308.403 2.891 20 10 DFCDMN CC[C@@H]1CN(Cc2cc(OC)ccc2O)CCN1CC(F)F ZINC000180543271 523448727 /nfs/dbraw/zinc/44/87/27/523448727.db2.gz INOOXUOTVWVTKG-CYBMUJFWSA-N 0 1 314.376 2.562 20 10 DFCDMN C[N@H+](Cc1ccon1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737494899 600559237 /nfs/dbraw/zinc/55/92/37/600559237.db2.gz DIRZGHLMBHJPRR-UHFFFAOYSA-N 0 1 312.325 2.864 20 10 DFCDMN C[N@@H+](Cc1ccon1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737494899 600559238 /nfs/dbraw/zinc/55/92/38/600559238.db2.gz DIRZGHLMBHJPRR-UHFFFAOYSA-N 0 1 312.325 2.864 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1O ZINC000823659792 601919267 /nfs/dbraw/zinc/91/92/67/601919267.db2.gz UBPSOCWNEXVZGF-OAHLLOKOSA-N 0 1 311.765 2.545 20 10 DFCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Br)ccc1O ZINC000232634887 604641391 /nfs/dbraw/zinc/64/13/91/604641391.db2.gz ZEZCXDAVZBKPKY-UHFFFAOYSA-N 0 1 316.195 2.840 20 10 DFCDMN O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000834106332 605563088 /nfs/dbraw/zinc/56/30/88/605563088.db2.gz JCQATXLTXJUFDK-HIFRSBDPSA-N 0 1 304.390 2.747 20 10 DFCDMN O=C([O-])N[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000834189306 605569406 /nfs/dbraw/zinc/56/94/06/605569406.db2.gz JWUNSWWVJACBSM-MRXNPFEDSA-N 0 1 312.369 2.901 20 10 DFCDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000833815459 605596798 /nfs/dbraw/zinc/59/67/98/605596798.db2.gz VPORNZRMADBFOW-HIFRSBDPSA-N 0 1 305.422 2.621 20 10 DFCDMN CCn1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cn1 ZINC000088547744 185257144 /nfs/dbraw/zinc/25/71/44/185257144.db2.gz FDDUUMMLYOCHMR-UHFFFAOYSA-N 0 1 323.418 2.841 20 10 DFCDMN COC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000093528523 398640679 /nfs/dbraw/zinc/64/06/79/398640679.db2.gz WFWVTHZGNNBDRE-GOSISDBHSA-N 0 1 313.397 2.906 20 10 DFCDMN C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000184850352 299308566 /nfs/dbraw/zinc/30/85/66/299308566.db2.gz QIAYRNHBZVGAAE-ONGXEEELSA-N 0 1 300.196 2.984 20 10 DFCDMN CCCCC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106701962 194244648 /nfs/dbraw/zinc/24/46/48/194244648.db2.gz SRGHRELBOAGDKE-UHFFFAOYSA-N 0 1 321.440 2.774 20 10 DFCDMN C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273502160 130129429 /nfs/dbraw/zinc/12/94/29/130129429.db2.gz QKHXAEQKFJGGLC-SJKOYZFVSA-N 0 1 311.385 2.663 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2CCC(=O)NC)c1 ZINC000289243120 131368876 /nfs/dbraw/zinc/36/88/76/131368876.db2.gz DTJOFRFRBCLIFN-HNNXBMFYSA-N 0 1 320.433 2.672 20 10 DFCDMN CO[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000293052749 543019158 /nfs/dbraw/zinc/01/91/58/543019158.db2.gz RRHBWVVOFJCLTB-ZDUSSCGKSA-N 0 1 300.196 2.669 20 10 DFCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000282247146 286059240 /nfs/dbraw/zinc/05/92/40/286059240.db2.gz JJJGIZXKQJBZKC-SKDRFNHKSA-N 0 1 314.769 2.953 20 10 DFCDMN COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000273614777 292543075 /nfs/dbraw/zinc/54/30/75/292543075.db2.gz XATJYQZNWVPTTI-HOCLYGCPSA-N 0 1 314.429 2.917 20 10 DFCDMN Cc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000069751455 425956587 /nfs/dbraw/zinc/95/65/87/425956587.db2.gz BKBAUWYTLSWPNI-UHFFFAOYSA-N 0 1 304.365 2.854 20 10 DFCDMN Cc1cccc(OC[C@H](O)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113327767 426112443 /nfs/dbraw/zinc/11/24/43/426112443.db2.gz OATSOSGVWUUNFQ-CYBMUJFWSA-N 0 1 321.804 2.884 20 10 DFCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCSC1 ZINC000130529095 426161573 /nfs/dbraw/zinc/16/15/73/426161573.db2.gz HQPCTYXBLLQPMD-SNVBAGLBSA-N 0 1 302.783 2.891 20 10 DFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCCO1 ZINC000132960688 426171354 /nfs/dbraw/zinc/17/13/54/426171354.db2.gz LLYCJPGLFMXQFC-LBPRGKRZSA-N 0 1 300.196 2.766 20 10 DFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCCO1 ZINC000132960688 426171358 /nfs/dbraw/zinc/17/13/58/426171358.db2.gz 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COCCOc1ncccc1CN[C@@H](C)c1cc(F)ccc1O ZINC000273439462 536742922 /nfs/dbraw/zinc/74/29/22/536742922.db2.gz XZHZHRLRGAHUMQ-LBPRGKRZSA-N 0 1 320.364 2.802 20 10 DFCDMN COC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000093528521 398640571 /nfs/dbraw/zinc/64/05/71/398640571.db2.gz WFWVTHZGNNBDRE-SFHVURJKSA-N 0 1 313.397 2.906 20 10 DFCDMN Cc1ccc(O)c(CN2CCN(c3ncccc3F)CC2)c1 ZINC000093687629 398642363 /nfs/dbraw/zinc/64/23/63/398642363.db2.gz KBVAKSRVPPBHHA-UHFFFAOYSA-N 0 1 301.365 2.557 20 10 DFCDMN CC(C)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000044915586 398657139 /nfs/dbraw/zinc/65/71/39/398657139.db2.gz PALNKLVNNVEYFG-UHFFFAOYSA-N 0 1 300.406 2.871 20 10 DFCDMN CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000042544453 183283278 /nfs/dbraw/zinc/28/32/78/183283278.db2.gz INSANUNAYGSGPU-YPMHNXCESA-N 0 1 313.239 2.900 20 10 DFCDMN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cccc(Cl)c1O ZINC000365162822 296321568 /nfs/dbraw/zinc/32/15/68/296321568.db2.gz VVWDJGBYCSTAIX-TZMCWYRMSA-N 0 1 309.793 2.616 20 10 DFCDMN NC(=O)c1ccc(C[N@@H+](Cc2cccc(F)c2[O-])C2CC2)cc1 ZINC000272327133 130021160 /nfs/dbraw/zinc/02/11/60/130021160.db2.gz VKAAUJRGFGIQCT-UHFFFAOYSA-N 0 1 314.360 2.795 20 10 DFCDMN C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273587160 130140748 /nfs/dbraw/zinc/14/07/48/130140748.db2.gz OCOWWPNGCRRQEO-ZJUUUORDSA-N 0 1 302.212 2.824 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(Br)ccc1[O-] ZINC000273587158 130140933 /nfs/dbraw/zinc/14/09/33/130140933.db2.gz OCOWWPNGCRRQEO-VHSXEESVSA-N 0 1 302.212 2.824 20 10 DFCDMN Cc1cc(NS(=O)(=O)c2cnn(C(C)C)c2)c(C)c(C)c1O ZINC000274829252 130265293 /nfs/dbraw/zinc/26/52/93/130265293.db2.gz TWCQBENJIDFXAF-UHFFFAOYSA-N 0 1 323.418 2.896 20 10 DFCDMN Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000275713246 130369066 /nfs/dbraw/zinc/36/90/66/130369066.db2.gz YMYOUFHOPLNEOD-BZNIZROVSA-N 0 1 321.808 2.789 20 10 DFCDMN CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000284522123 131088544 /nfs/dbraw/zinc/08/85/44/131088544.db2.gz DXFDLVMSOCDZAS-NUEKZKHPSA-N 0 1 309.381 2.547 20 10 DFCDMN C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000285646469 131189604 /nfs/dbraw/zinc/18/96/04/131189604.db2.gz YCFLHOPSRCRFNH-MNOVXSKESA-N 0 1 314.223 2.917 20 10 DFCDMN COc1ccc(N(C)Cc2n[nH]c(C(C)(C)C)n2)c(OC)c1 ZINC000293033356 131701756 /nfs/dbraw/zinc/70/17/56/131701756.db2.gz WLISLJDBYQHCMI-UHFFFAOYSA-N 0 1 304.394 2.756 20 10 DFCDMN CC[C@@H]([NH2+]CCCCO)c1cc(Br)ccc1[O-] ZINC000193275481 286906109 /nfs/dbraw/zinc/90/61/09/286906109.db2.gz UEESEBRANNFDDB-GFCCVEGCSA-N 0 1 302.212 2.968 20 10 DFCDMN COc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1C ZINC000299332520 229056247 /nfs/dbraw/zinc/05/62/47/229056247.db2.gz LAOKURAGEVVPMH-GOSISDBHSA-N 0 1 324.424 2.894 20 10 DFCDMN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccccc1O ZINC000109768897 426032529 /nfs/dbraw/zinc/03/25/29/426032529.db2.gz CPNYRMNCKWGCNA-RBSFLKMASA-N 0 1 304.434 2.717 20 10 DFCDMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)Cc1ccccc1O ZINC000109768901 426032564 /nfs/dbraw/zinc/03/25/64/426032564.db2.gz UUFRWSXUKVITPV-FMKPAKJESA-N 0 1 304.434 2.907 20 10 DFCDMN C[C@H](C[S@](C)=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000131179661 426163874 /nfs/dbraw/zinc/16/38/74/426163874.db2.gz AMDHVJUYRIHKNK-QVKFZJNVSA-N 0 1 308.491 2.876 20 10 DFCDMN Cc1ccoc1C(=O)NCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000120159158 426307457 /nfs/dbraw/zinc/30/74/57/426307457.db2.gz PPYMXMHAFFPRBF-UHFFFAOYSA-N 0 1 322.792 2.857 20 10 DFCDMN C[C@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1ccccc1O ZINC000121136928 426321663 /nfs/dbraw/zinc/32/16/63/426321663.db2.gz OGEDUUVCJGASBK-OAHLLOKOSA-N 0 1 324.424 2.797 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000175716553 426322735 /nfs/dbraw/zinc/32/27/35/426322735.db2.gz UHALWUGUGCNDPW-NHYWBVRUSA-N 0 1 308.397 2.648 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000175716512 426322840 /nfs/dbraw/zinc/32/28/40/426322840.db2.gz UHALWUGUGCNDPW-XHDPSFHLSA-N 0 1 308.397 2.648 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070161 426346976 /nfs/dbraw/zinc/34/69/76/426346976.db2.gz FBDJFZWCGTVXCM-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070161 426346978 /nfs/dbraw/zinc/34/69/78/426346978.db2.gz FBDJFZWCGTVXCM-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN CC(C)(CCO)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000231398624 426651632 /nfs/dbraw/zinc/65/16/32/426651632.db2.gz SGJXEYHMSDLQCO-UHFFFAOYSA-N 0 1 302.212 2.653 20 10 DFCDMN COc1cc(O)c(CN2CCCc3occc3C2)cc1OC ZINC000289998523 426678919 /nfs/dbraw/zinc/67/89/19/426678919.db2.gz CWKIDRNFAOHWPV-UHFFFAOYSA-N 0 1 303.358 2.951 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c1O ZINC000188014305 426714464 /nfs/dbraw/zinc/71/44/64/426714464.db2.gz UJBOCTNOHQCFCZ-APPDUMDISA-N 0 1 309.381 2.717 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c1[O-] ZINC000188014305 426714470 /nfs/dbraw/zinc/71/44/70/426714470.db2.gz UJBOCTNOHQCFCZ-APPDUMDISA-N 0 1 309.381 2.717 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c1[O-] ZINC000188014305 426714473 /nfs/dbraw/zinc/71/44/73/426714473.db2.gz UJBOCTNOHQCFCZ-APPDUMDISA-N 0 1 309.381 2.717 20 10 DFCDMN COc1cc(O)c(CN(C)Cc2cnc(C)s2)cc1OC ZINC000179439349 426790197 /nfs/dbraw/zinc/79/01/97/426790197.db2.gz IUEMBTHBUYWEQQ-UHFFFAOYSA-N 0 1 308.403 2.806 20 10 DFCDMN COC(=O)c1cnc(SCc2n[nH]c(C(C)(C)C)n2)s1 ZINC000295263560 426882327 /nfs/dbraw/zinc/88/23/27/426882327.db2.gz IVDZMIBFTVCRFZ-UHFFFAOYSA-N 0 1 312.420 2.638 20 10 DFCDMN CCCOc1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000317153986 426955291 /nfs/dbraw/zinc/95/52/91/426955291.db2.gz XETXRYFCQLCFBM-MRXNPFEDSA-N 0 1 304.434 2.851 20 10 DFCDMN CC(=O)NCCN(Cc1ccsc1)Cc1cc(C)ccc1O ZINC000282849767 426929435 /nfs/dbraw/zinc/92/94/35/426929435.db2.gz DIQKOABOWMQASU-UHFFFAOYSA-N 0 1 318.442 2.900 20 10 DFCDMN CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295551794 427003698 /nfs/dbraw/zinc/00/36/98/427003698.db2.gz PLOITOKNOLZOQC-GOSISDBHSA-N 0 1 318.461 2.913 20 10 DFCDMN C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000277656374 427275664 /nfs/dbraw/zinc/27/56/64/427275664.db2.gz DZPBHSMITLWCIS-CABZTGNLSA-N 0 1 300.196 2.669 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1[O-] ZINC000271145352 427418280 /nfs/dbraw/zinc/41/82/80/427418280.db2.gz ZVRWSAWBZUPEKP-DGCLKSJQSA-N 0 1 312.753 2.707 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1[O-] ZINC000271145352 427418286 /nfs/dbraw/zinc/41/82/86/427418286.db2.gz ZVRWSAWBZUPEKP-DGCLKSJQSA-N 0 1 312.753 2.707 20 10 DFCDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000191956275 427451699 /nfs/dbraw/zinc/45/16/99/427451699.db2.gz HAQYBUKNJHWBBS-AWEZNQCLSA-N 0 1 314.223 2.892 20 10 DFCDMN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000191956275 427451706 /nfs/dbraw/zinc/45/17/06/427451706.db2.gz HAQYBUKNJHWBBS-AWEZNQCLSA-N 0 1 314.223 2.892 20 10 DFCDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000191956275 427451707 /nfs/dbraw/zinc/45/17/07/427451707.db2.gz HAQYBUKNJHWBBS-AWEZNQCLSA-N 0 1 314.223 2.892 20 10 DFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCOC1 ZINC000271257155 427470895 /nfs/dbraw/zinc/47/08/95/427470895.db2.gz HHISTSQSTMCPJO-GFCCVEGCSA-N 0 1 300.196 2.766 20 10 DFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCOC1 ZINC000271257155 427470900 /nfs/dbraw/zinc/47/09/00/427470900.db2.gz HHISTSQSTMCPJO-GFCCVEGCSA-N 0 1 300.196 2.766 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)C(C)(C)C)C2)cc1 ZINC000271155451 427421619 /nfs/dbraw/zinc/42/16/19/427421619.db2.gz MUCYEJDZFWLJAE-MRXNPFEDSA-N 0 1 317.477 2.879 20 10 DFCDMN C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Cl)ccc1[O-] ZINC000278396632 427432194 /nfs/dbraw/zinc/43/21/94/427432194.db2.gz GHWCXAQLHGYRSI-LBPRGKRZSA-N 0 1 310.825 2.561 20 10 DFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278479993 427443441 /nfs/dbraw/zinc/44/34/41/427443441.db2.gz RUSMRSSZZYUDEI-SFHVURJKSA-N 0 1 315.461 2.728 20 10 DFCDMN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n[nH]1 ZINC000263730896 427553547 /nfs/dbraw/zinc/55/35/47/427553547.db2.gz TZBFVNKHHICCNJ-UHFFFAOYSA-N 0 1 300.406 2.835 20 10 DFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000294323321 427622202 /nfs/dbraw/zinc/62/22/02/427622202.db2.gz RBGLFUBZPLBSJC-LLVKDONJSA-N 0 1 324.787 2.688 20 10 DFCDMN Cc1cc(C)c([C@H](C)NCc2nnc3n2CCCC3)c(O)c1 ZINC000294132338 427557313 /nfs/dbraw/zinc/55/73/13/427557313.db2.gz LIXOECZNSMKGHE-ZDUSSCGKSA-N 0 1 300.406 2.788 20 10 DFCDMN CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000192920430 427635184 /nfs/dbraw/zinc/63/51/84/427635184.db2.gz ZFNDWWVTPZTKKA-ZDUSSCGKSA-N 0 1 300.402 2.968 20 10 DFCDMN C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000185386383 427642252 /nfs/dbraw/zinc/64/22/52/427642252.db2.gz XPXYFYRPRNFAGM-MWLCHTKSSA-N 0 1 300.196 2.984 20 10 DFCDMN C[C@H]([C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N1CCOCC1 ZINC000185375668 427643577 /nfs/dbraw/zinc/64/35/77/427643577.db2.gz GIQHOBGYYKDGGP-RWMBFGLXSA-N 0 1 312.841 2.805 20 10 DFCDMN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(OC)ccc1O ZINC000185682598 427691456 /nfs/dbraw/zinc/69/14/56/427691456.db2.gz WZDHUFHMTJAVJO-SMDDNHRTSA-N 0 1 316.405 2.740 20 10 DFCDMN C/C=C/C[C@H](CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000185830156 427715480 /nfs/dbraw/zinc/71/54/80/427715480.db2.gz WYNFZCGVNYTLSB-QAVQXKDTSA-N 0 1 300.196 2.571 20 10 DFCDMN C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2ccccc2c1[O-] ZINC000185993992 427740479 /nfs/dbraw/zinc/74/04/79/427740479.db2.gz JHWJVZSMCOUNCC-JSGCOSHPSA-N 0 1 308.385 2.803 20 10 DFCDMN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000186109394 427748178 /nfs/dbraw/zinc/74/81/78/427748178.db2.gz QVRBQODLCAUXQH-ZYHUDNBSSA-N 0 1 311.813 2.500 20 10 DFCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000369553532 427996966 /nfs/dbraw/zinc/99/69/66/427996966.db2.gz VAHFSRGPQGFNBG-BMIGLBTASA-N 0 1 315.772 2.565 20 10 DFCDMN Cc1cccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000371522828 428396248 /nfs/dbraw/zinc/39/62/48/428396248.db2.gz BDQMUGTXKHNTNQ-SFHVURJKSA-N 0 1 301.361 2.933 20 10 DFCDMN CC(C)c1nnc2n1CCN(Cc1c(O)ccc(Cl)c1F)C2 ZINC000372815826 428504217 /nfs/dbraw/zinc/50/42/17/428504217.db2.gz QSGGTHUFGABELS-UHFFFAOYSA-N 0 1 324.787 2.915 20 10 DFCDMN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000373633875 428624396 /nfs/dbraw/zinc/62/43/96/428624396.db2.gz COZATCGHTQTSCX-KDOFPFPSSA-N 0 1 321.417 2.561 20 10 DFCDMN Cc1cc(O)c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1C ZINC000362613563 428793190 /nfs/dbraw/zinc/79/31/90/428793190.db2.gz CHAZWBRMGPFUHN-IMJJTQAJSA-N 0 1 302.418 2.627 20 10 DFCDMN Cc1csc(N2CCC[N@@H+](Cc3ccccc3O)CC2)n1 ZINC000364301143 429178388 /nfs/dbraw/zinc/17/83/88/429178388.db2.gz KMPFFXUKBURTPE-UHFFFAOYSA-N 0 1 303.431 2.869 20 10 DFCDMN CCN(CC)c1ccc(CN2CC[C@H](n3cncn3)C2)cc1F ZINC000364513777 429217725 /nfs/dbraw/zinc/21/77/25/429217725.db2.gz VLWWBGYBEHJSKN-HNNXBMFYSA-N 0 1 317.412 2.710 20 10 DFCDMN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC000364447937 429205422 /nfs/dbraw/zinc/20/54/22/429205422.db2.gz LPQMSVKQJXISQD-SFHVURJKSA-N 0 1 312.344 2.627 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(C3CC3)CCOCC2)c1[O-] ZINC000367565051 429672570 /nfs/dbraw/zinc/67/25/70/429672570.db2.gz KPCSBRLCDYJLSR-UHFFFAOYSA-N 0 1 307.365 2.783 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)ccc1[O-] ZINC000367686780 429699648 /nfs/dbraw/zinc/69/96/48/429699648.db2.gz JLNKHGPVNCEFRX-STRQVWJDSA-N 0 1 312.207 2.698 20 10 DFCDMN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000527783165 429797274 /nfs/dbraw/zinc/79/72/74/429797274.db2.gz GTNYZKCETMKRHD-OLZOCXBDSA-N 0 1 300.196 2.812 20 10 DFCDMN C[C@@H]([NH2+]CC12CC(C1)CO2)c1ccc(Br)cc1[O-] ZINC000527980051 429830697 /nfs/dbraw/zinc/83/06/97/429830697.db2.gz LNGIRABHMMYDQE-NAUIOFCNSA-N 0 1 312.207 2.984 20 10 DFCDMN Cc1ncccc1O[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000368977103 429905223 /nfs/dbraw/zinc/90/52/23/429905223.db2.gz BZDVASWIVVIKJW-HNNXBMFYSA-N 0 1 302.349 2.888 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000369054212 429909610 /nfs/dbraw/zinc/90/96/10/429909610.db2.gz ZBKYTUIDDHXPQH-UHFFFAOYSA-N 0 1 319.355 2.778 20 10 DFCDMN COCCN(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000171405960 277505603 /nfs/dbraw/zinc/50/56/03/277505603.db2.gz PIEYMDDXIHTUBZ-AWEZNQCLSA-N 0 1 302.418 2.774 20 10 DFCDMN CC[C@H]([NH2+]CCCCO)c1cc(Br)ccc1[O-] ZINC000193275469 288039756 /nfs/dbraw/zinc/03/97/56/288039756.db2.gz UEESEBRANNFDDB-LBPRGKRZSA-N 0 1 302.212 2.968 20 10 DFCDMN COc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1C ZINC000299332524 533703498 /nfs/dbraw/zinc/70/34/98/533703498.db2.gz LAOKURAGEVVPMH-SFHVURJKSA-N 0 1 324.424 2.894 20 10 DFCDMN CC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@@H](O)C(F)F ZINC000295042916 335130221 /nfs/dbraw/zinc/13/02/21/335130221.db2.gz MSPKNMGEUDMYKF-GXSJLCMTSA-N 0 1 324.165 2.649 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C)(CO)CC2)c1[O-] ZINC000186947564 333381854 /nfs/dbraw/zinc/38/18/54/333381854.db2.gz WOHVQMRAAWNJIQ-UHFFFAOYSA-N 0 1 311.809 2.843 20 10 DFCDMN O=C(Nc1nc2c(s1)CCCC2)c1c(F)ccc(O)c1O ZINC000276612123 334083751 /nfs/dbraw/zinc/08/37/51/334083751.db2.gz SROILNATEITXKM-UHFFFAOYSA-N 0 1 308.334 2.825 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000305228295 337020078 /nfs/dbraw/zinc/02/00/78/337020078.db2.gz PWQRFBCEORLMDR-QGZVFWFLSA-N 0 1 303.789 2.969 20 10 DFCDMN COCCn1cc2c(n1)[C@H](NCc1cc(F)ccc1O)CCC2 ZINC000376613776 337038121 /nfs/dbraw/zinc/03/81/21/337038121.db2.gz AANNUIHMHLWCKB-OAHLLOKOSA-N 0 1 319.380 2.541 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H](CO)C2)c1[O-] ZINC000377244470 337049238 /nfs/dbraw/zinc/04/92/38/337049238.db2.gz XHTLDBQMHUDHNW-SNVBAGLBSA-N 0 1 314.769 2.548 20 10 DFCDMN C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000377384475 337051412 /nfs/dbraw/zinc/05/14/12/337051412.db2.gz WVZDBRMHIRVSLJ-XYZCENFISA-N 0 1 317.316 2.872 20 10 DFCDMN CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](C(=O)OC)[C@@H](C2CC2)C1 ZINC000377693205 337058734 /nfs/dbraw/zinc/05/87/34/337058734.db2.gz JULDIZUTEFUUID-OWCLPIDISA-N 0 1 303.402 2.974 20 10 DFCDMN CN(C)c1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1F ZINC000378369925 337071043 /nfs/dbraw/zinc/07/10/43/337071043.db2.gz MFECKDLMWYLZLI-HZPDHXFCSA-N 0 1 310.438 2.598 20 10 DFCDMN C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc2ccccc2c1[O-] ZINC000295802872 341715376 /nfs/dbraw/zinc/71/53/76/341715376.db2.gz AHHKCBZUHDJPMZ-AWEZNQCLSA-N 0 1 314.429 2.653 20 10 DFCDMN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000180015382 518840280 /nfs/dbraw/zinc/84/02/80/518840280.db2.gz PRZXKLFVJXDYFH-ZDUSSCGKSA-N 0 1 310.369 2.630 20 10 DFCDMN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000228099456 521775302 /nfs/dbraw/zinc/77/53/02/521775302.db2.gz PGEGCQAGDOBBQS-CQSZACIVSA-N 0 1 317.216 2.657 20 10 DFCDMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000131180110 524657861 /nfs/dbraw/zinc/65/78/61/524657861.db2.gz AMDHVJUYRIHKNK-VFNWGFHPSA-N 0 1 308.491 2.876 20 10 DFCDMN C[C@H]([NH2+]C1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000181007329 525293874 /nfs/dbraw/zinc/29/38/74/525293874.db2.gz HOWCAYCERDNVMV-JTQLQIEISA-N 0 1 313.239 2.900 20 10 DFCDMN C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Br)ccc1[O-] ZINC000189299782 525420360 /nfs/dbraw/zinc/42/03/60/525420360.db2.gz XRFVKVGFPTUMQK-NHCYSSNCSA-N 0 1 314.223 2.966 20 10 DFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000158067747 526891749 /nfs/dbraw/zinc/89/17/49/526891749.db2.gz IZHYPRRHGKWZEK-CQSZACIVSA-N 0 1 308.809 2.536 20 10 DFCDMN O=C1CCC[C@H]1[C@H]1COCCN1Cc1cccc(Cl)c1O ZINC000365162813 526984870 /nfs/dbraw/zinc/98/48/70/526984870.db2.gz VVWDJGBYCSTAIX-GXTWGEPZSA-N 0 1 309.793 2.616 20 10 DFCDMN Cn1cc([C@@H]2CN(Cc3c(O)ccc4ccccc43)CCO2)cn1 ZINC000267599310 527303347 /nfs/dbraw/zinc/30/33/47/527303347.db2.gz MNNJVQYGWRYOSF-IBGZPJMESA-N 0 1 323.396 2.852 20 10 DFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)[C@]12CCCO2 ZINC000273662451 535408712 /nfs/dbraw/zinc/40/87/12/535408712.db2.gz YEFDCZCVWPETBP-BZUAXINKSA-N 0 1 311.809 2.862 20 10 DFCDMN CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(Cl)c1[O-] ZINC000287896190 535804571 /nfs/dbraw/zinc/80/45/71/535804571.db2.gz ZHUOGXWZSJGPKZ-IUODEOHRSA-N 0 1 312.841 2.543 20 10 DFCDMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000736980002 599706652 /nfs/dbraw/zinc/70/66/52/599706652.db2.gz RUTIKFQTNNGUDH-QGZVFWFLSA-N 0 1 320.433 2.851 20 10 DFCDMN CCSCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000737231847 600953838 /nfs/dbraw/zinc/95/38/38/600953838.db2.gz VPSOEZPVSSWNMJ-UHFFFAOYSA-N 0 1 303.811 2.685 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1O ZINC000825946852 601389361 /nfs/dbraw/zinc/38/93/61/601389361.db2.gz SZICJWMVPITKMR-ZDUSSCGKSA-N 0 1 309.337 2.563 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+](CCC(=O)[O-])CC(C)C)c1O ZINC000825946490 601389612 /nfs/dbraw/zinc/38/96/12/601389612.db2.gz AOJCNVRMHWYMHO-UHFFFAOYSA-N 0 1 311.353 2.667 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](CCC(=O)[O-])CC(C)C)c1O ZINC000825946490 601389615 /nfs/dbraw/zinc/38/96/15/601389615.db2.gz AOJCNVRMHWYMHO-UHFFFAOYSA-N 0 1 311.353 2.667 20 10 DFCDMN COc1cccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1O ZINC000317195086 604676890 /nfs/dbraw/zinc/67/68/90/604676890.db2.gz UHZOYLAJCNOXFE-BNOWGMLFSA-N 0 1 305.374 2.619 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])c1O ZINC000833400714 605850656 /nfs/dbraw/zinc/85/06/56/605850656.db2.gz LHHYSTVDIKOCEB-AWEZNQCLSA-N 0 1 309.337 2.563 20 10 DFCDMN C[C@H]([NH2+]CCCN1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437627 299291863 /nfs/dbraw/zinc/29/18/63/299291863.db2.gz XOHALLPLTWGJKA-ZDUSSCGKSA-N 0 1 307.394 2.827 20 10 DFCDMN Cc1ccc(O)c(CN2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000092103253 193159152 /nfs/dbraw/zinc/15/91/52/193159152.db2.gz BIARVUCSWLOMCG-GFCCVEGCSA-N 0 1 302.340 2.769 20 10 DFCDMN C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(Br)cc1[O-] ZINC000184851363 296133572 /nfs/dbraw/zinc/13/35/72/296133572.db2.gz DLNRBZSXMFWYNU-MWLCHTKSSA-N 0 1 300.196 2.984 20 10 DFCDMN COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093337598 193234241 /nfs/dbraw/zinc/23/42/41/193234241.db2.gz ADASYQAIEYWZSP-JTQLQIEISA-N 0 1 314.769 2.812 20 10 DFCDMN COC(=O)C1(N(C)Cc2cccc(OC)c2O)CCCCC1 ZINC000093359775 193237870 /nfs/dbraw/zinc/23/78/70/193237870.db2.gz JJUQHVCRQFFGAX-UHFFFAOYSA-N 0 1 307.390 2.709 20 10 DFCDMN CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272215662 130008107 /nfs/dbraw/zinc/00/81/07/130008107.db2.gz BCNOCXYEAZDFOJ-ZDUSSCGKSA-N 0 1 308.397 2.658 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCN1CC(F)F ZINC000272297432 130016691 /nfs/dbraw/zinc/01/66/91/130016691.db2.gz PBHUSWHVENDDRF-GFCCVEGCSA-N 0 1 302.340 2.693 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000272323235 130020891 /nfs/dbraw/zinc/02/08/91/130020891.db2.gz UTEIKNWWYLGXOQ-UHFFFAOYSA-N 0 1 321.421 2.696 20 10 DFCDMN CC(=O)N1CCN(Cc2cc(F)ccc2O)CC12CCCCC2 ZINC000272446312 130031425 /nfs/dbraw/zinc/03/14/25/130031425.db2.gz PCLXGSVJJVXCCS-UHFFFAOYSA-N 0 1 320.408 2.898 20 10 DFCDMN C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000273398299 130117297 /nfs/dbraw/zinc/11/72/97/130117297.db2.gz MKIDAIKDHGSKAE-NXEZZACHSA-N 0 1 300.196 2.842 20 10 DFCDMN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000273515015 130131135 /nfs/dbraw/zinc/13/11/35/130131135.db2.gz SJQYMXAAXDXSTK-UGSOOPFHSA-N 0 1 315.413 2.984 20 10 DFCDMN C[C@H](NCc1nccn1C)c1cc(Br)ccc1O ZINC000273593473 130141721 /nfs/dbraw/zinc/14/17/21/130141721.db2.gz PYIHRCXMNPIICY-VIFPVBQESA-N 0 1 310.195 2.739 20 10 DFCDMN C[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(Br)ccc1[O-] ZINC000273621297 130145434 /nfs/dbraw/zinc/14/54/34/130145434.db2.gz ZBEGISQDVLLDTK-UWVGGRQHSA-N 0 1 301.228 2.755 20 10 DFCDMN C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(Br)cc1[O-] ZINC000274773787 130261077 /nfs/dbraw/zinc/26/10/77/130261077.db2.gz IGEZRLCZMSRRFU-SECBINFHSA-N 0 1 302.212 2.966 20 10 DFCDMN C[C@H]([NH2+]CCC(C)(C)O)c1ccc(Br)cc1[O-] ZINC000274773789 130261113 /nfs/dbraw/zinc/26/11/13/130261113.db2.gz IGEZRLCZMSRRFU-VIFPVBQESA-N 0 1 302.212 2.966 20 10 DFCDMN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000283840987 131028501 /nfs/dbraw/zinc/02/85/01/131028501.db2.gz BQPVMJDLIAZDGC-INIZCTEOSA-N 0 1 304.434 2.890 20 10 DFCDMN C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000284174644 131056082 /nfs/dbraw/zinc/05/60/82/131056082.db2.gz FOIFYNUYVUKAJU-ITDIGPHOSA-N 0 1 315.841 2.854 20 10 DFCDMN CCN(CC)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298718353 132074647 /nfs/dbraw/zinc/07/46/47/132074647.db2.gz NELXPBSPRMIZSU-UHFFFAOYSA-N 0 1 303.450 2.585 20 10 DFCDMN CCN(CC)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000213416365 542872247 /nfs/dbraw/zinc/87/22/47/542872247.db2.gz DUDVFDMXRCACNR-UHFFFAOYSA-N 0 1 313.206 2.698 20 10 DFCDMN CCCN(Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000157057606 425936992 /nfs/dbraw/zinc/93/69/92/425936992.db2.gz DLHATHBKODIFAC-QGZVFWFLSA-N 0 1 316.376 2.970 20 10 DFCDMN C[C@@H](C(=O)NC1CCC(C)CC1)N(C)Cc1ccccc1O ZINC000109769650 426032820 /nfs/dbraw/zinc/03/28/20/426032820.db2.gz CGOHPOCRGMNSEJ-BBBYJDLNSA-N 0 1 304.434 2.907 20 10 DFCDMN C[C@H]1CN(CCC[NH2+]Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000113317008 426111770 /nfs/dbraw/zinc/11/17/70/426111770.db2.gz QUNXTYJOOCTBRJ-STQMWFEESA-N 0 1 312.841 2.635 20 10 DFCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccs1 ZINC000171112530 426170954 /nfs/dbraw/zinc/17/09/54/426170954.db2.gz ZGGIXZLJYGNXKE-CYBMUJFWSA-N 0 1 317.458 2.781 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000175716493 426322625 /nfs/dbraw/zinc/32/26/25/426322625.db2.gz UHALWUGUGCNDPW-IAQYHMDHSA-N 0 1 308.397 2.648 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092098285 426346965 /nfs/dbraw/zinc/34/69/65/426346965.db2.gz ILHQPTLPLDPYIV-UHFFFAOYSA-N 0 1 306.797 2.549 20 10 DFCDMN c1cc(N2CCOCC2)ccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978959 426347168 /nfs/dbraw/zinc/34/71/68/426347168.db2.gz NENDGIKVEAWEKD-RBUKOAKNSA-N 0 1 316.445 2.667 20 10 DFCDMN CCC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226251538 426618368 /nfs/dbraw/zinc/61/83/68/426618368.db2.gz IKINCCPITTYAOU-ZDUSSCGKSA-N 0 1 302.212 2.795 20 10 DFCDMN C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc2ccccc2c1[O-] ZINC000280778317 426654902 /nfs/dbraw/zinc/65/49/02/426654902.db2.gz GQSASTHVXXAJIH-SNVBAGLBSA-N 0 1 308.328 2.577 20 10 DFCDMN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000289652887 426671775 /nfs/dbraw/zinc/67/17/75/426671775.db2.gz MVDBUJIBCMFGMM-CYBMUJFWSA-N 0 1 310.825 2.926 20 10 DFCDMN OC[C@@]1(F)CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000289966923 426677077 /nfs/dbraw/zinc/67/70/77/426677077.db2.gz YWEUQVRASCLTQQ-GOSISDBHSA-N 0 1 306.425 2.973 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1O ZINC000188014277 426714242 /nfs/dbraw/zinc/71/42/42/426714242.db2.gz UJBOCTNOHQCFCZ-PIGZYNQJSA-N 0 1 309.381 2.717 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1[O-] ZINC000188014277 426714247 /nfs/dbraw/zinc/71/42/47/426714247.db2.gz UJBOCTNOHQCFCZ-PIGZYNQJSA-N 0 1 309.381 2.717 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1[O-] ZINC000188014277 426714248 /nfs/dbraw/zinc/71/42/48/426714248.db2.gz UJBOCTNOHQCFCZ-PIGZYNQJSA-N 0 1 309.381 2.717 20 10 DFCDMN C[C@H](CCO)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000273618412 426698547 /nfs/dbraw/zinc/69/85/47/426698547.db2.gz YIEJRTOAEFRRFN-NXEZZACHSA-N 0 1 302.212 2.824 20 10 DFCDMN CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(O)c1 ZINC000290427435 426762008 /nfs/dbraw/zinc/76/20/08/426762008.db2.gz LESZTPBBHCRWLI-YOEHRIQHSA-N 0 1 306.450 2.953 20 10 DFCDMN CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(O)c1 ZINC000290427435 426762013 /nfs/dbraw/zinc/76/20/13/426762013.db2.gz LESZTPBBHCRWLI-YOEHRIQHSA-N 0 1 306.450 2.953 20 10 DFCDMN CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(O)c1 ZINC000290427430 426762516 /nfs/dbraw/zinc/76/25/16/426762516.db2.gz LESZTPBBHCRWLI-PBHICJAKSA-N 0 1 306.450 2.953 20 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c1cc(N2CCCCC2)ccc1CNCc1n[nH]c(C2CC2)n1 ZINC000294864964 427664647 /nfs/dbraw/zinc/66/46/47/427664647.db2.gz UFYVIYBFRPNEMA-UHFFFAOYSA-N 0 1 311.433 2.962 20 10 DFCDMN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294931279 427667452 /nfs/dbraw/zinc/66/74/52/427667452.db2.gz OVZLQQAEANYHKV-LLVKDONJSA-N 0 1 314.788 2.533 20 10 DFCDMN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(OC)ccc1O ZINC000185682581 427690905 /nfs/dbraw/zinc/69/09/05/427690905.db2.gz WZDHUFHMTJAVJO-FZMZJTMJSA-N 0 1 316.405 2.740 20 10 DFCDMN CCCOc1ccc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279615282 427712769 /nfs/dbraw/zinc/71/27/69/427712769.db2.gz GCPPEIVLPKDBEG-KSSFIOAISA-N 0 1 321.417 2.561 20 10 DFCDMN Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000370731676 428287217 /nfs/dbraw/zinc/28/72/17/428287217.db2.gz ZAZFXMJJGCPUJK-AWEZNQCLSA-N 0 1 320.364 2.927 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(c2ccncn2)C1 ZINC000370765809 428294017 /nfs/dbraw/zinc/29/40/17/428294017.db2.gz GLWRZKMKPXDHCW-CQSZACIVSA-N 0 1 318.808 2.594 20 10 DFCDMN CCOc1cccc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372900573 428505450 /nfs/dbraw/zinc/50/54/50/428505450.db2.gz AMUMLOIQXDAOGF-INIZCTEOSA-N 0 1 324.384 2.788 20 10 DFCDMN CCc1nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)no1 ZINC000361054239 428532146 /nfs/dbraw/zinc/53/21/46/428532146.db2.gz UNTVEYOGIZPJRX-GFCCVEGCSA-N 0 1 305.353 2.856 20 10 DFCDMN CCOc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000373633874 428624325 /nfs/dbraw/zinc/62/43/25/428624325.db2.gz COZATCGHTQTSCX-KBXCAEBGSA-N 0 1 321.417 2.561 20 10 DFCDMN CN1CCCc2cc(CNC(=O)[C@@H]3CCCc4[nH]cnc43)ccc21 ZINC000373916835 428654628 /nfs/dbraw/zinc/65/46/28/428654628.db2.gz HBKPFMRTXWIMNE-OAHLLOKOSA-N 0 1 324.428 2.528 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374412918 428679368 /nfs/dbraw/zinc/67/93/68/428679368.db2.gz WGUKKCVFKJHYEM-QWHCGFSZSA-N 0 1 307.365 2.592 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374412918 428679372 /nfs/dbraw/zinc/67/93/72/428679372.db2.gz WGUKKCVFKJHYEM-QWHCGFSZSA-N 0 1 307.365 2.592 20 10 DFCDMN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000366757032 429509611 /nfs/dbraw/zinc/50/96/11/429509611.db2.gz KNMZCRUFHAPIOR-OAHLLOKOSA-N 0 1 313.401 2.974 20 10 DFCDMN COc1cccc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1O ZINC000367026638 429560907 /nfs/dbraw/zinc/56/09/07/429560907.db2.gz NDBNSGPTJWRWNN-CYBMUJFWSA-N 0 1 315.373 2.651 20 10 DFCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1[C@H](CC)c1ccccc1O ZINC000367297966 429615578 /nfs/dbraw/zinc/61/55/78/429615578.db2.gz AUKLULRWVWGVGN-OFQRWUPVSA-N 0 1 321.417 2.886 20 10 DFCDMN COCCC[N@H+]1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000367742315 429710096 /nfs/dbraw/zinc/71/00/96/429710096.db2.gz ZKLYVABADICCMS-UHFFFAOYSA-N 0 1 312.841 2.590 20 10 DFCDMN CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])C(=O)N1CCCC1 ZINC000527810302 429804096 /nfs/dbraw/zinc/80/40/96/429804096.db2.gz NPEFARHGPOJFGC-UHFFFAOYSA-N 0 1 310.825 2.784 20 10 DFCDMN CCn1ncc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000527921925 429822133 /nfs/dbraw/zinc/82/21/33/429822133.db2.gz ABWNTRFOCSPWMB-LBPRGKRZSA-N 0 1 300.406 2.733 20 10 DFCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000366463082 300270790 /nfs/dbraw/zinc/27/07/90/300270790.db2.gz NVATURXSMPEAHV-BLLLJJGKSA-N 0 1 311.809 2.816 20 10 DFCDMN CCOc1cccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293959113 335116085 /nfs/dbraw/zinc/11/60/85/335116085.db2.gz JGECIFHKCPBXDX-QZTJIDSGSA-N 0 1 303.402 2.934 20 10 DFCDMN CCOc1cccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293959113 335116087 /nfs/dbraw/zinc/11/60/87/335116087.db2.gz JGECIFHKCPBXDX-QZTJIDSGSA-N 0 1 303.402 2.934 20 10 DFCDMN C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cc(Cl)c(F)cc1O ZINC000295226910 335131338 /nfs/dbraw/zinc/13/13/38/335131338.db2.gz CIPPHMVAJYAAII-MGOSUKFUSA-N 0 1 305.802 2.526 20 10 DFCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000219903203 333398448 /nfs/dbraw/zinc/39/84/48/333398448.db2.gz GXPPUODRLBCHTK-BXKDBHETSA-N 0 1 300.196 2.812 20 10 DFCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@H]1COc2ccccc2O1 ZINC000272340853 334033750 /nfs/dbraw/zinc/03/37/50/334033750.db2.gz YORQAPABHNEXCT-ZDUSSCGKSA-N 0 1 303.333 2.803 20 10 DFCDMN CN(C)c1ccc(CN(C[C@H](O)C(F)(F)F)C2CC2)cc1 ZINC000273899729 334053015 /nfs/dbraw/zinc/05/30/15/334053015.db2.gz FDMZBCASQWVEOF-AWEZNQCLSA-N 0 1 302.340 2.640 20 10 DFCDMN C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000280939204 334121529 /nfs/dbraw/zinc/12/15/29/334121529.db2.gz SKBHEOWUQDLYPE-BPUTZDHNSA-N 0 1 315.413 2.841 20 10 DFCDMN CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000366859333 335221635 /nfs/dbraw/zinc/22/16/35/335221635.db2.gz TZOOYGPUAWFXAS-INMHGKMJSA-N 0 1 304.434 2.605 20 10 DFCDMN CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C)cc1O ZINC000366859336 335221666 /nfs/dbraw/zinc/22/16/66/335221666.db2.gz TZOOYGPUAWFXAS-ZOBUZTSGSA-N 0 1 304.434 2.605 20 10 DFCDMN C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cc(Cl)ccc1[O-] ZINC000368332346 336842582 /nfs/dbraw/zinc/84/25/82/336842582.db2.gz NHBIZYLFRPFNOI-RISCZKNCSA-N 0 1 310.825 2.559 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000369378093 336863776 /nfs/dbraw/zinc/86/37/76/336863776.db2.gz PVWWXSXJQUHVRN-UHFFFAOYSA-N 0 1 303.789 2.665 20 10 DFCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000376022068 337025495 /nfs/dbraw/zinc/02/54/95/337025495.db2.gz RDEWJIUZGGTFCF-INIZCTEOSA-N 0 1 311.809 2.816 20 10 DFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@]12CCOC2 ZINC000377097255 337046718 /nfs/dbraw/zinc/04/67/18/337046718.db2.gz ARQNIQFQBODIKE-YGRLFVJLSA-N 0 1 316.184 2.742 20 10 DFCDMN COc1ccc(O)c([C@@H](C)N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000377613677 337056284 /nfs/dbraw/zinc/05/62/84/337056284.db2.gz FETQAYSAYZUKAN-SJKOYZFVSA-N 0 1 324.384 2.959 20 10 DFCDMN CCc1nnc([C@@H]2CN([C@@H](CC)c3ccccc3O)CCO2)o1 ZINC000377669254 337058012 /nfs/dbraw/zinc/05/80/12/337058012.db2.gz DINLEWHDXMJCEF-ZFWWWQNUSA-N 0 1 317.389 2.862 20 10 DFCDMN O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1)N1CCCCC1 ZINC000378489444 337074271 /nfs/dbraw/zinc/07/42/71/337074271.db2.gz BLPWOGFLYRAZER-HNNXBMFYSA-N 0 1 320.408 2.756 20 10 DFCDMN COCCn1cc2c(n1)[C@H](NCc1cc(C)ccc1O)CCC2 ZINC000378560594 337075703 /nfs/dbraw/zinc/07/57/03/337075703.db2.gz NHRGZXDVIXQMCB-MRXNPFEDSA-N 0 1 315.417 2.711 20 10 DFCDMN C[C@H](Cn1ccnc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227437342 337205195 /nfs/dbraw/zinc/20/51/95/337205195.db2.gz JGOJTMJBMNGPRS-SNVBAGLBSA-N 0 1 310.195 2.530 20 10 DFCDMN CC(C)C[C@H](CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227439256 337205212 /nfs/dbraw/zinc/20/52/12/337205212.db2.gz JIGKYZJUSZGKHO-GFCCVEGCSA-N 0 1 302.212 2.651 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000230313515 337271373 /nfs/dbraw/zinc/27/13/73/337271373.db2.gz FTLXLNSFQBBJQW-TZMCWYRMSA-N 0 1 312.207 2.812 20 10 DFCDMN C[C@@H](NCc1c(O)ccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000191229916 337295062 /nfs/dbraw/zinc/29/50/62/337295062.db2.gz IZTMKYKSBWXXPE-SECBINFHSA-N 0 1 324.787 2.963 20 10 DFCDMN CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158078860 519875535 /nfs/dbraw/zinc/87/55/35/519875535.db2.gz JKLRHMQILUVXBP-CQSZACIVSA-N 0 1 310.825 2.926 20 10 DFCDMN CCCC(=O)N[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124283738 519876667 /nfs/dbraw/zinc/87/66/67/519876667.db2.gz QAYIBEUQLPJGGB-LBPRGKRZSA-N 0 1 310.825 2.926 20 10 DFCDMN CCCC(=O)N[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124283738 519876668 /nfs/dbraw/zinc/87/66/68/519876668.db2.gz QAYIBEUQLPJGGB-LBPRGKRZSA-N 0 1 310.825 2.926 20 10 DFCDMN CCCC(=O)N[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000124283738 519876669 /nfs/dbraw/zinc/87/66/69/519876669.db2.gz QAYIBEUQLPJGGB-LBPRGKRZSA-N 0 1 310.825 2.926 20 10 DFCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179940063 519890125 /nfs/dbraw/zinc/89/01/25/519890125.db2.gz MIZKEQKNMDHMNQ-CYBMUJFWSA-N 0 1 310.825 2.784 20 10 DFCDMN CC1([NH2+]Cc2cc(Br)ccc2[O-])CCOCC1 ZINC000131115230 520765625 /nfs/dbraw/zinc/76/56/25/520765625.db2.gz RVHOVBRTMLGCPX-UHFFFAOYSA-N 0 1 300.196 2.813 20 10 DFCDMN CN(C)c1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1F ZINC000265244948 522211397 /nfs/dbraw/zinc/21/13/97/522211397.db2.gz MMZPLODUXCVSNR-INIZCTEOSA-N 0 1 306.356 2.854 20 10 DFCDMN CCc1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000157512328 522288672 /nfs/dbraw/zinc/28/86/72/522288672.db2.gz KHILOHDRDHDOFH-UHFFFAOYSA-N 0 1 313.449 2.989 20 10 DFCDMN COc1ccc(O)c(CN(C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000180502889 524734559 /nfs/dbraw/zinc/73/45/59/524734559.db2.gz XATJRHWOINSWPN-JOCHJYFZSA-N 0 1 319.426 2.770 20 10 DFCDMN CCN(CC)c1ccc(CN[C@H](C)c2ccc(=O)[nH]n2)cc1F ZINC000286290448 535685946 /nfs/dbraw/zinc/68/59/46/535685946.db2.gz WFKAXLAPUFSFRH-GFCCVEGCSA-N 0 1 318.396 2.606 20 10 DFCDMN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cc(F)ccc1O ZINC000284733065 536623868 /nfs/dbraw/zinc/62/38/68/536623868.db2.gz UAEZQKGGGXQONO-BFYDXBDKSA-N 0 1 309.381 2.547 20 10 DFCDMN CCc1cc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000737251558 599956736 /nfs/dbraw/zinc/95/67/36/599956736.db2.gz UIPLDXCSKWOISR-OAHLLOKOSA-N 0 1 321.417 2.538 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C(=O)[O-] ZINC000828457346 601820210 /nfs/dbraw/zinc/82/02/10/601820210.db2.gz STALUFWGYUATAC-ZWNOBZJWSA-N 0 1 307.390 2.548 20 10 DFCDMN C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828345949 603595176 /nfs/dbraw/zinc/59/51/76/603595176.db2.gz NBOQLFICONSZHW-ZDUSSCGKSA-N 0 1 322.405 2.579 20 10 DFCDMN Cc1cc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1C ZINC000830121655 603924511 /nfs/dbraw/zinc/92/45/11/603924511.db2.gz GWBIVIPWBHNOEQ-CABCVRRESA-N 0 1 304.390 2.726 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2(C(=O)[O-])CCCC2)c1O ZINC000825946710 604458725 /nfs/dbraw/zinc/45/87/25/604458725.db2.gz MMADTZOOOJUDDM-UHFFFAOYSA-N 0 1 309.337 2.563 20 10 DFCDMN O=C([O-])N[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000834191135 605570415 /nfs/dbraw/zinc/57/04/15/605570415.db2.gz ZIRLGJLPZZEEER-HNNXBMFYSA-N 0 1 303.406 2.519 20 10 DFCDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000833814182 605601201 /nfs/dbraw/zinc/60/12/01/605601201.db2.gz RPWQEZCWRKVMCX-GHMZBOCLSA-N 0 1 312.797 2.914 20 10 DFCDMN CNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(C)c(C)cc1O ZINC000043593224 398626259 /nfs/dbraw/zinc/62/62/59/398626259.db2.gz LKUASECHZGESSU-GOSISDBHSA-N 0 1 324.424 2.682 20 10 DFCDMN Cc1noc(C)c1CN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000091891136 193123380 /nfs/dbraw/zinc/12/33/80/193123380.db2.gz LJTIVNCIWFSOPR-UHFFFAOYSA-N 0 1 315.417 2.623 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Cl)ccc1[O-] ZINC000297488616 533540667 /nfs/dbraw/zinc/54/06/67/533540667.db2.gz ZVAVYMFMOLMANP-OCCSQVGLSA-N 0 1 312.841 2.543 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000272287704 130015149 /nfs/dbraw/zinc/01/51/49/130015149.db2.gz NPCUXLAHRVPQJW-UHFFFAOYSA-N 0 1 307.394 2.700 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000273398305 130117619 /nfs/dbraw/zinc/11/76/19/130117619.db2.gz MKIDAIKDHGSKAE-ZJUUUORDSA-N 0 1 300.196 2.842 20 10 DFCDMN C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(F)ccc1[O-] ZINC000273602518 130143022 /nfs/dbraw/zinc/14/30/22/130143022.db2.gz SECXBYMEDCUNNA-OBJOEFQTSA-N 0 1 308.397 2.829 20 10 DFCDMN C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000284174646 131055668 /nfs/dbraw/zinc/05/56/68/131055668.db2.gz FOIFYNUYVUKAJU-NVBFEUDRSA-N 0 1 315.841 2.854 20 10 DFCDMN C[C@H](O)c1ncc(CNCc2ccc3c(c2)CCCN3C)s1 ZINC000289229738 131367589 /nfs/dbraw/zinc/36/75/89/131367589.db2.gz KBTZWGYULFLGLN-LBPRGKRZSA-N 0 1 317.458 2.869 20 10 DFCDMN COc1ccc(CNCc2c(O)cccc2Cl)c(OC)n1 ZINC000289472964 131388945 /nfs/dbraw/zinc/38/89/45/131388945.db2.gz DPVYWAOWGCXUSZ-UHFFFAOYSA-N 0 1 308.765 2.748 20 10 DFCDMN Cc1ccc([C@@H](N)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000280448168 542988737 /nfs/dbraw/zinc/98/87/37/542988737.db2.gz CNLQGUCKEITRNB-LJQANCHMSA-N 0 1 323.440 2.911 20 10 DFCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000091772429 286041795 /nfs/dbraw/zinc/04/17/95/286041795.db2.gz JYPOHJUFCAIRIV-NSHDSACASA-N 0 1 300.742 2.565 20 10 DFCDMN C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1ccccc1O ZINC000109773028 426033310 /nfs/dbraw/zinc/03/33/10/426033310.db2.gz BDOIHTYKSRHXCO-ZDUSSCGKSA-N 0 1 316.376 2.668 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128452531 426118370 /nfs/dbraw/zinc/11/83/70/426118370.db2.gz FINRUQRHVWYHJL-LBPRGKRZSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128452531 426118372 /nfs/dbraw/zinc/11/83/72/426118372.db2.gz FINRUQRHVWYHJL-LBPRGKRZSA-N 0 1 306.797 2.549 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@H](n3cccn3)C2)cc1F ZINC000130246376 426152631 /nfs/dbraw/zinc/15/26/31/426152631.db2.gz OAISJGVAJKQSFH-HNNXBMFYSA-N 0 1 302.397 2.925 20 10 DFCDMN CCCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132863239 426171101 /nfs/dbraw/zinc/17/11/01/426171101.db2.gz HHNDAVHXLFCPSM-UHFFFAOYSA-N 0 1 305.205 2.786 20 10 DFCDMN COc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000120063062 426306159 /nfs/dbraw/zinc/30/61/59/426306159.db2.gz LNTQGMMONMPKQM-UHFFFAOYSA-N 0 1 301.342 2.762 20 10 DFCDMN Cc1ncc(CN2CCN(Cc3cc(C)ccc3O)CC2)s1 ZINC000120453952 426310943 /nfs/dbraw/zinc/31/09/43/426310943.db2.gz GQAAXSVLKOROKV-UHFFFAOYSA-N 0 1 317.458 2.783 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000093820185 426358010 /nfs/dbraw/zinc/35/80/10/426358010.db2.gz JSKVUFIEGIWCMB-AWEZNQCLSA-N 0 1 312.753 2.566 20 10 DFCDMN C[S@](=O)C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000154724473 426453445 /nfs/dbraw/zinc/45/34/45/426453445.db2.gz VRYKYYWXPDYIPQ-HTAPYJJXSA-N 0 1 315.438 2.831 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000280187765 426517306 /nfs/dbraw/zinc/51/73/06/426517306.db2.gz CYNHWZMUDKXISB-GFCCVEGCSA-N 0 1 316.367 2.976 20 10 DFCDMN CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1[O-] 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/nfs/dbraw/zinc/96/03/32/526960332.db2.gz QQOYNUDUFHJRPB-KRWDZBQOSA-N 0 1 301.434 2.517 20 10 DFCDMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)cn1 ZINC000367733775 527232654 /nfs/dbraw/zinc/23/26/54/527232654.db2.gz YNJVJZHHARURFB-LBPRGKRZSA-N 0 1 305.809 2.844 20 10 DFCDMN CCCN(Cc1ccccc1O)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000297582403 528147556 /nfs/dbraw/zinc/14/75/56/528147556.db2.gz DPYLIBNDXAINHG-INIZCTEOSA-N 0 1 321.417 2.715 20 10 DFCDMN CSCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000832762836 601007208 /nfs/dbraw/zinc/00/72/08/601007208.db2.gz BRDWUHROFFRWNL-UHFFFAOYSA-N 0 1 303.811 2.685 20 10 DFCDMN C[C@H](C[N@@H+](Cc1c(O)ccc2ccncc21)C1CC1)C(=O)[O-] ZINC000736585852 599933913 /nfs/dbraw/zinc/93/39/13/599933913.db2.gz XNCPMYKJYFNZBM-LLVKDONJSA-N 0 1 300.358 2.626 20 10 DFCDMN CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000828028865 601895688 /nfs/dbraw/zinc/89/56/88/601895688.db2.gz FYENMUAEBGOUPU-KRWDZBQOSA-N 0 1 307.390 2.692 20 10 DFCDMN CN(C)c1ccc(C[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C2CC2)cc1 ZINC000739618375 603370104 /nfs/dbraw/zinc/37/01/04/603370104.db2.gz LQXPQHYPMJDKDU-HNNXBMFYSA-N 0 1 317.433 2.717 20 10 DFCDMN C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828345940 603593580 /nfs/dbraw/zinc/59/35/80/603593580.db2.gz MURHPEKWCWYBFI-CYBMUJFWSA-N 0 1 300.358 2.730 20 10 DFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1C ZINC000830121501 604023033 /nfs/dbraw/zinc/02/30/33/604023033.db2.gz CSJXTUGVXUCCEC-KBPBESRZSA-N 0 1 306.406 2.877 20 10 DFCDMN COc1cccc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c1O ZINC000320616447 604674114 /nfs/dbraw/zinc/67/41/14/604674114.db2.gz ACDQRDBDIBJLBJ-MRXNPFEDSA-N 0 1 313.353 2.585 20 10 DFCDMN COc1cccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1O ZINC000317195094 604677424 /nfs/dbraw/zinc/67/74/24/604677424.db2.gz UHZOYLAJCNOXFE-YUTCNCBUSA-N 0 1 305.374 2.619 20 10 DFCDMN O=C([O-])NC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000834226339 605573596 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C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(F)ccc1[O-] ZINC000273602522 130143444 /nfs/dbraw/zinc/14/34/44/130143444.db2.gz SECXBYMEDCUNNA-OUCADQQQSA-N 0 1 308.397 2.829 20 10 DFCDMN COCCN1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000273614782 130145573 /nfs/dbraw/zinc/14/55/73/130145573.db2.gz XATJYQZNWVPTTI-ZBFHGGJFSA-N 0 1 314.429 2.917 20 10 DFCDMN COCCN(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000171405963 292427590 /nfs/dbraw/zinc/42/75/90/292427590.db2.gz PIEYMDDXIHTUBZ-CQSZACIVSA-N 0 1 302.418 2.774 20 10 DFCDMN Cc1cc(Br)cc(CN2CC(C(C)(C)O)C2)c1O ZINC000297477515 227218752 /nfs/dbraw/zinc/21/87/52/227218752.db2.gz TUKIOUJSKRQEQX-UHFFFAOYSA-N 0 1 314.223 2.666 20 10 DFCDMN COc1cc(O)c(CN2CCO[C@@H]3CCCC[C@@H]32)cc1OC ZINC000158872150 425949268 /nfs/dbraw/zinc/94/92/68/425949268.db2.gz OGVMEWUKLQQQFG-DZGCQCFKSA-N 0 1 307.390 2.553 20 10 DFCDMN C[C@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccccc1O ZINC000109773358 426032088 /nfs/dbraw/zinc/03/20/88/426032088.db2.gz AOCZMXUAHZJHFR-CQSZACIVSA-N 0 1 310.397 2.802 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000113318809 426111841 /nfs/dbraw/zinc/11/18/41/426111841.db2.gz QIPVNIYRJLYNSC-UHFFFAOYSA-N 0 1 320.824 2.696 20 10 DFCDMN C[C@@H](NCCS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000164802042 426117844 /nfs/dbraw/zinc/11/78/44/426117844.db2.gz IPSKPTCJKMYOBG-OAHLLOKOSA-N 0 1 324.490 2.762 20 10 DFCDMN O=C(CC1CC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134269037 426186325 /nfs/dbraw/zinc/18/63/25/426186325.db2.gz IVABUHUZRGTAFP-OAHLLOKOSA-N 0 1 322.836 2.926 20 10 DFCDMN CC[N@@H+](CCCC(=O)[O-])Cc1cc(Br)ccc1O ZINC000174424060 426256053 /nfs/dbraw/zinc/25/60/53/426256053.db2.gz BSXYSMDNSOHOBW-UHFFFAOYSA-N 0 1 316.195 2.841 20 10 DFCDMN FC(F)Oc1ccc(N2CCC[C@@H](NCc3ncc[nH]3)C2)cc1 ZINC000174621552 426261178 /nfs/dbraw/zinc/26/11/78/426261178.db2.gz HDPVQEUAQUIXNE-GFCCVEGCSA-N 0 1 322.359 2.770 20 10 DFCDMN CC[C@H]([NH2+]CC(C)(C)O)c1cc(Br)ccc1[O-] ZINC000087009587 426262009 /nfs/dbraw/zinc/26/20/09/426262009.db2.gz GORMSVSYEGLNNK-NSHDSACASA-N 0 1 302.212 2.966 20 10 DFCDMN Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000093017496 426353074 /nfs/dbraw/zinc/35/30/74/426353074.db2.gz BZVAXUDQUIWALC-AWEZNQCLSA-N 0 1 324.852 2.590 20 10 DFCDMN CC[C@H]1CN(Cc2cccc(OC)c2O)CCN1CC(F)F ZINC000093767192 426358286 /nfs/dbraw/zinc/35/82/86/426358286.db2.gz RSXMHRHPFPEHRJ-ZDUSSCGKSA-N 0 1 314.376 2.562 20 10 DFCDMN CCN(CC)c1ccc(CN2CCCC[C@H]2C(=O)NC)cc1 ZINC000154803782 426456022 /nfs/dbraw/zinc/45/60/22/426456022.db2.gz GTNWZJOMLXRWTE-KRWDZBQOSA-N 0 1 303.450 2.633 20 10 DFCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCCNC1=O ZINC000123916092 426461019 /nfs/dbraw/zinc/46/10/19/426461019.db2.gz AGCZWPFKLXJYEA-GFCCVEGCSA-N 0 1 317.216 2.800 20 10 DFCDMN CCCOc1ccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000280300619 426543600 /nfs/dbraw/zinc/54/36/00/426543600.db2.gz OWMJMOBTBCZUBL-KBXCAEBGSA-N 0 1 321.417 2.561 20 10 DFCDMN C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000186539582 426546906 /nfs/dbraw/zinc/54/69/06/426546906.db2.gz KVDSPGMUHXYRGY-IRWWLHRVSA-N 0 1 320.252 2.572 20 10 DFCDMN CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000194638087 426489198 /nfs/dbraw/zinc/48/91/98/426489198.db2.gz LLHQFOYEBYUVQK-GFCCVEGCSA-N 0 1 302.212 2.651 20 10 DFCDMN C[C@H]1OCC[C@@]12CN(Cc1c(O)cccc1Cl)C[C@@H](C)O2 ZINC000280450461 426579456 /nfs/dbraw/zinc/57/94/56/426579456.db2.gz LFIJVOXVWHCBHU-XHBSWPGZSA-N 0 1 311.809 2.814 20 10 DFCDMN C[C@H]1OCC[C@@]12C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H](C)O2 ZINC000280450461 426579459 /nfs/dbraw/zinc/57/94/59/426579459.db2.gz LFIJVOXVWHCBHU-XHBSWPGZSA-N 0 1 311.809 2.814 20 10 DFCDMN C[C@H]1OCC[C@@]12C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H](C)O2 ZINC000280450461 426579463 /nfs/dbraw/zinc/57/94/63/426579463.db2.gz LFIJVOXVWHCBHU-XHBSWPGZSA-N 0 1 311.809 2.814 20 10 DFCDMN CCN(CC[NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000227550946 426627018 /nfs/dbraw/zinc/62/70/18/426627018.db2.gz FZTCDYOPDWGFPY-UHFFFAOYSA-N 0 1 313.239 2.729 20 10 DFCDMN COc1cccc(CN(C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000179316187 426779407 /nfs/dbraw/zinc/77/94/07/426779407.db2.gz UZBGDPPMNDLVSJ-UHFFFAOYSA-N 0 1 302.330 2.941 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291028497 426873451 /nfs/dbraw/zinc/87/34/51/426873451.db2.gz BCQUZJNBNWCLCC-GOSISDBHSA-N 0 1 301.361 2.667 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000247018058 426890855 /nfs/dbraw/zinc/89/08/55/426890855.db2.gz ZIUBTEKAPQXKBD-BLLLJJGKSA-N 0 1 307.365 2.735 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000247018058 426890859 /nfs/dbraw/zinc/89/08/59/426890859.db2.gz ZIUBTEKAPQXKBD-BLLLJJGKSA-N 0 1 307.365 2.735 20 10 DFCDMN Cc1cc(N2CCC([NH2+]Cc3c([O-])cccc3Cl)CC2)n[nH]1 ZINC000275967975 426956566 /nfs/dbraw/zinc/95/65/66/426956566.db2.gz HCDMICACQCNYBE-UHFFFAOYSA-N 0 1 320.824 2.836 20 10 DFCDMN CC(=O)N(C[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O)C1CC1 ZINC000275846890 426930242 /nfs/dbraw/zinc/93/02/42/426930242.db2.gz WOBULPOSXMADPS-GOSISDBHSA-N 0 1 316.445 2.984 20 10 DFCDMN CN(C)c1ccc(CNCc2cnnn2Cc2ccccc2)cc1 ZINC000291952381 427038058 /nfs/dbraw/zinc/03/80/58/427038058.db2.gz OKAPZOKLHSYVQR-UHFFFAOYSA-N 0 1 321.428 2.682 20 10 DFCDMN Cc1c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cnn1C ZINC000292001869 427053475 /nfs/dbraw/zinc/05/34/75/427053475.db2.gz XPZRRQBPULOPKM-UHFFFAOYSA-N 0 1 323.418 2.667 20 10 DFCDMN Cc1cc(CNCc2ccc3c(c2)CCO3)nc(N2CCCC2)n1 ZINC000292897860 427204757 /nfs/dbraw/zinc/20/47/57/427204757.db2.gz ZQGDDOQNMOLBHU-UHFFFAOYSA-N 0 1 324.428 2.610 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000292877727 427205740 /nfs/dbraw/zinc/20/57/40/427205740.db2.gz XQYDHSMOTQPXPA-HNNXBMFYSA-N 0 1 307.365 2.613 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000292877727 427205746 /nfs/dbraw/zinc/20/57/46/427205746.db2.gz XQYDHSMOTQPXPA-HNNXBMFYSA-N 0 1 307.365 2.613 20 10 DFCDMN CCN(CC)c1ccc(C[NH2+]Cc2nc(C(=O)[O-])cs2)cc1 ZINC000277466484 427210459 /nfs/dbraw/zinc/21/04/59/427210459.db2.gz VUYMKOFTZFUGAR-UHFFFAOYSA-N 0 1 319.430 2.977 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCCO[C@H](C(C)C)C2)c1O ZINC000293191380 427240073 /nfs/dbraw/zinc/24/00/73/427240073.db2.gz QGOMKYKYCYWOOO-INIZCTEOSA-N 0 1 309.381 2.981 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1[O-] ZINC000293191380 427240079 /nfs/dbraw/zinc/24/00/79/427240079.db2.gz QGOMKYKYCYWOOO-INIZCTEOSA-N 0 1 309.381 2.981 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCO[C@H](C(C)C)C2)c1[O-] ZINC000293191380 427240086 /nfs/dbraw/zinc/24/00/86/427240086.db2.gz QGOMKYKYCYWOOO-INIZCTEOSA-N 0 1 309.381 2.981 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1O ZINC000269810967 427280825 /nfs/dbraw/zinc/28/08/25/427280825.db2.gz OTGBFGYRNURKFP-QMTHXVAHSA-N 0 1 311.809 2.984 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000269810967 427280834 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COc1c([O-])c(C[N@H+](C)[C@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000278508629 427444010 /nfs/dbraw/zinc/44/40/10/427444010.db2.gz PKFVHGNIHKYFNA-LLVKDONJSA-N 0 1 317.345 2.897 20 10 DFCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000278508629 427444014 /nfs/dbraw/zinc/44/40/14/427444014.db2.gz PKFVHGNIHKYFNA-LLVKDONJSA-N 0 1 317.345 2.897 20 10 DFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000278479991 427444095 /nfs/dbraw/zinc/44/40/95/427444095.db2.gz RUSMRSSZZYUDEI-GOSISDBHSA-N 0 1 315.461 2.728 20 10 DFCDMN Oc1cc(F)c(Cl)cc1CN1CCOC2(CCOCC2)C1 ZINC000294127602 427558853 /nfs/dbraw/zinc/55/88/53/427558853.db2.gz GVAMWLXFDOJIJM-UHFFFAOYSA-N 0 1 315.772 2.566 20 10 DFCDMN CCCN(Cc1ccccc1O)C(=O)CCCCc1cn[nH]n1 ZINC000184870444 427559270 /nfs/dbraw/zinc/55/92/70/427559270.db2.gz VETOSOFFCCVURH-UHFFFAOYSA-N 0 1 316.405 2.662 20 10 DFCDMN CCN(C)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185167710 427606370 /nfs/dbraw/zinc/60/63/70/427606370.db2.gz VKXICSQJNRFAQK-SNVBAGLBSA-N 0 1 301.228 2.757 20 10 DFCDMN CCC[C@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185436223 427652181 /nfs/dbraw/zinc/65/21/81/427652181.db2.gz FYKPQZXHQLRKEJ-KOLCDFICSA-N 0 1 302.212 2.966 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000279606433 427713722 /nfs/dbraw/zinc/71/37/22/427713722.db2.gz IXJUTIOCFOZWPE-CYBMUJFWSA-N 0 1 302.340 2.728 20 10 DFCDMN C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1[O-] ZINC000185829677 427715293 /nfs/dbraw/zinc/71/52/93/427715293.db2.gz BEIZWUUFMBJSAX-JFGNBEQYSA-N 0 1 312.207 2.742 20 10 DFCDMN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186029721 427742124 /nfs/dbraw/zinc/74/21/24/427742124.db2.gz SVXXEAKVIDGOOM-UWVGGRQHSA-N 0 1 305.827 2.519 20 10 DFCDMN CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186029749 427742611 /nfs/dbraw/zinc/74/26/11/427742611.db2.gz SVXXEAKVIDGOOM-VHSXEESVSA-N 0 1 305.827 2.519 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000371473001 428391029 /nfs/dbraw/zinc/39/10/29/428391029.db2.gz JQWNLPLBFFYERO-XJKSGUPXSA-N 0 1 324.852 2.588 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@@]2(CCCOC2)O1 ZINC000373470954 428585473 /nfs/dbraw/zinc/58/54/73/428585473.db2.gz UYRJKEOYZOUNQP-SJLPKXTDSA-N 0 1 305.418 2.861 20 10 DFCDMN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[O-])CN1 ZINC000362336567 428709013 /nfs/dbraw/zinc/70/90/13/428709013.db2.gz PBEPFSGROKZZLQ-FZMZJTMJSA-N 0 1 308.809 2.536 20 10 DFCDMN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[O-])CN1 ZINC000362336567 428709017 /nfs/dbraw/zinc/70/90/17/428709017.db2.gz PBEPFSGROKZZLQ-FZMZJTMJSA-N 0 1 308.809 2.536 20 10 DFCDMN CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3CCCC[C@H]32)cc1 ZINC000368091196 429784747 /nfs/dbraw/zinc/78/47/47/429784747.db2.gz VVHGSHRMPWZYSR-SJLPKXTDSA-N 0 1 315.461 2.585 20 10 DFCDMN C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(Br)cc1[O-] ZINC000528017940 429836452 /nfs/dbraw/zinc/83/64/52/429836452.db2.gz JIKJKHGCQDOLNI-FKTRJACZSA-N 0 1 300.196 2.576 20 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ZINC000352111058 336195333 /nfs/dbraw/zinc/19/53/33/336195333.db2.gz IFMXJYUEONRAAO-UHFFFAOYSA-N 0 1 308.385 2.629 20 10 DFCDMN Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000376041949 337025855 /nfs/dbraw/zinc/02/58/55/337025855.db2.gz JGZUZGAIAMJJQI-AWEZNQCLSA-N 0 1 320.824 2.538 20 10 DFCDMN CN1CCc2cc(CNCc3ccc(-c4cc[nH]n4)o3)ccc21 ZINC000378250849 337068757 /nfs/dbraw/zinc/06/87/57/337068757.db2.gz UWKOGLBJRVMQOC-UHFFFAOYSA-N 0 1 308.385 2.952 20 10 DFCDMN CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1N1CCOCC1 ZINC000378341811 337070361 /nfs/dbraw/zinc/07/03/61/337070361.db2.gz MDRWQJIEIQHOES-CZUORRHYSA-N 0 1 324.852 2.588 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1N1CCOCC1 ZINC000378341811 337070362 /nfs/dbraw/zinc/07/03/62/337070362.db2.gz MDRWQJIEIQHOES-CZUORRHYSA-N 0 1 324.852 2.588 20 10 DFCDMN CCOC(=O)N1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000179747375 337171600 /nfs/dbraw/zinc/17/16/00/337171600.db2.gz CENABGRGDOWYFT-UHFFFAOYSA-N 0 1 312.797 2.710 20 10 DFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000180027716 337173264 /nfs/dbraw/zinc/17/32/64/337173264.db2.gz JAILOVUJYXSNDA-OAHLLOKOSA-N 0 1 324.852 2.732 20 10 DFCDMN CCN1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226036239 337196272 /nfs/dbraw/zinc/19/62/72/337196272.db2.gz DKFJXJNWEUKGKD-ZDUSSCGKSA-N 0 1 313.239 2.729 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120297639 337395699 /nfs/dbraw/zinc/39/56/99/337395699.db2.gz FOHDPVBZFHPCSW-UHFFFAOYSA-N 0 1 318.808 2.912 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1[O-] ZINC000251710650 341419421 /nfs/dbraw/zinc/41/94/21/341419421.db2.gz JJZVPZZNOIMQNH-MEBBXXQBSA-N 0 1 310.825 2.630 20 10 DFCDMN CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158078998 519876572 /nfs/dbraw/zinc/87/65/72/519876572.db2.gz JKLRHMQILUVXBP-AWEZNQCLSA-N 0 1 310.825 2.926 20 10 DFCDMN CCN(C)[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000236885856 520270107 /nfs/dbraw/zinc/27/01/07/520270107.db2.gz HWMYOPFDYGJLPF-GOSISDBHSA-N 0 1 311.429 2.621 20 10 DFCDMN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000136547350 521689200 /nfs/dbraw/zinc/68/92/00/521689200.db2.gz SRBVTQYSKSJTRV-AWEZNQCLSA-N 0 1 313.401 2.974 20 10 DFCDMN CC[C@H](C(=O)[O-])[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000191423714 523808946 /nfs/dbraw/zinc/80/89/46/523808946.db2.gz ZLINEEXVSDEEPQ-LLVKDONJSA-N 0 1 316.195 2.840 20 10 DFCDMN COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000191674843 523997662 /nfs/dbraw/zinc/99/76/62/523997662.db2.gz LJURSMHPGBNUJG-MPKXVKKWSA-N 0 1 309.793 2.819 20 10 DFCDMN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131037135 524866376 /nfs/dbraw/zinc/86/63/76/524866376.db2.gz WSYOWRGUROYKIP-ASCAZGACSA-N 0 1 310.246 2.898 20 10 DFCDMN Cc1cc(O)c(CN2CCOC[C@@H]2[C@H]2CCCC2=O)cc1C ZINC000365147520 525320160 /nfs/dbraw/zinc/32/01/60/525320160.db2.gz CDMQHXLQWJWHAG-HZPDHXFCSA-N 0 1 303.402 2.579 20 10 DFCDMN C[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000181007348 525401409 /nfs/dbraw/zinc/40/14/09/525401409.db2.gz HOWCAYCERDNVMV-SNVBAGLBSA-N 0 1 313.239 2.900 20 10 DFCDMN C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000181013563 525479953 /nfs/dbraw/zinc/47/99/53/525479953.db2.gz RHMNMDGMLCOVQB-VIFPVBQESA-N 0 1 310.195 2.739 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128535106 526362381 /nfs/dbraw/zinc/36/23/81/526362381.db2.gz RXRHTIWTJVGSIG-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128535106 526362385 /nfs/dbraw/zinc/36/23/85/526362385.db2.gz RXRHTIWTJVGSIG-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN Cn1cnnc1C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000130597417 527521268 /nfs/dbraw/zinc/52/12/68/527521268.db2.gz WSUONCSXHYOFKF-UHFFFAOYSA-N 0 1 306.797 2.554 20 10 DFCDMN CO[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737733353 599808382 /nfs/dbraw/zinc/80/83/82/599808382.db2.gz KIUFLEUJXKXYBR-CYBMUJFWSA-N 0 1 315.369 2.854 20 10 DFCDMN Cc1cc(C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832883003 601375034 /nfs/dbraw/zinc/37/50/34/601375034.db2.gz OYILLAOHNHNMIJ-AWEZNQCLSA-N 0 1 321.417 2.674 20 10 DFCDMN C[C@@H](Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1)C(=O)[O-] ZINC000833537297 604580782 /nfs/dbraw/zinc/58/07/82/604580782.db2.gz HWRXSYYDWOVGAB-CYBMUJFWSA-N 0 1 315.369 2.876 20 10 DFCDMN C[C@H]1CCOCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833616985 605042863 /nfs/dbraw/zinc/04/28/63/605042863.db2.gz LPFCJBNBPBWZKN-LBPRGKRZSA-N 0 1 315.369 2.854 20 10 DFCDMN O=C([O-])NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000834218036 605502009 /nfs/dbraw/zinc/50/20/09/605502009.db2.gz ZPEVLLKXYVCVMC-ZDUSSCGKSA-N 0 1 318.417 2.751 20 10 DFCDMN CCCNC(=O)CN(CCC)Cc1cc(OCC)ccc1O ZINC000092192568 193172003 /nfs/dbraw/zinc/17/20/03/193172003.db2.gz OIURFFJNEKSPJC-UHFFFAOYSA-N 0 1 308.422 2.529 20 10 DFCDMN C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273418131 296115209 /nfs/dbraw/zinc/11/52/09/296115209.db2.gz RKNKJPGSOCQATE-GFCCVEGCSA-N 0 1 319.405 2.825 20 10 DFCDMN C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000192714274 296147579 /nfs/dbraw/zinc/14/75/79/296147579.db2.gz IWJQZBBVCBEHOQ-LSDHHAIUSA-N 0 1 314.429 2.917 20 10 DFCDMN CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000042544455 183283318 /nfs/dbraw/zinc/28/33/18/183283318.db2.gz INSANUNAYGSGPU-DGCLKSJQSA-N 0 1 313.239 2.900 20 10 DFCDMN C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(Cl)ccc1[O-] ZINC000297488620 533519938 /nfs/dbraw/zinc/51/99/38/533519938.db2.gz ZVAVYMFMOLMANP-TZMCWYRMSA-N 0 1 312.841 2.543 20 10 DFCDMN C[C@@H]([NH2+]CCCN1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437625 130122174 /nfs/dbraw/zinc/12/21/74/130122174.db2.gz XOHALLPLTWGJKA-CYBMUJFWSA-N 0 1 307.394 2.827 20 10 DFCDMN C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273502162 130129011 /nfs/dbraw/zinc/12/90/11/130129011.db2.gz QKHXAEQKFJGGLC-YVEFUNNKSA-N 0 1 311.385 2.663 20 10 DFCDMN C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273587154 130139949 /nfs/dbraw/zinc/13/99/49/130139949.db2.gz OCOWWPNGCRRQEO-UWVGGRQHSA-N 0 1 302.212 2.824 20 10 DFCDMN Cc1cnn(C)c1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000285110806 131139330 /nfs/dbraw/zinc/13/93/30/131139330.db2.gz MLDZYUDSBXBKKR-UHFFFAOYSA-N 0 1 323.418 2.667 20 10 DFCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000369553534 131271008 /nfs/dbraw/zinc/27/10/08/131271008.db2.gz VAHFSRGPQGFNBG-MEBBXXQBSA-N 0 1 315.772 2.565 20 10 DFCDMN O=C(Nc1ncn(C2CCCCC2)n1)c1c(F)ccc(O)c1O ZINC000294927598 131871582 /nfs/dbraw/zinc/87/15/82/131871582.db2.gz KIWSSXPLMNPNSU-UHFFFAOYSA-N 0 1 320.324 2.586 20 10 DFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cn[nH]c1C ZINC000298679893 132073164 /nfs/dbraw/zinc/07/31/64/132073164.db2.gz KQSLUYZNSPAWRP-UHFFFAOYSA-N 0 1 315.421 2.516 20 10 DFCDMN COC[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000124598844 425928793 /nfs/dbraw/zinc/92/87/93/425928793.db2.gz QRUGZJQOHPLQBX-NSHDSACASA-N 0 1 314.223 2.931 20 10 DFCDMN C[C@H]1CCCC[C@H]1N(C)C(=O)CN(C)Cc1ccccc1O ZINC000111235798 426039506 /nfs/dbraw/zinc/03/95/06/426039506.db2.gz KWUCXQXLISVCIH-GOEBONIOSA-N 0 1 304.434 2.861 20 10 DFCDMN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C)cc2)CC1 ZINC000108453870 426017075 /nfs/dbraw/zinc/01/70/75/426017075.db2.gz NYJRVDHWTVUVEQ-SFHVURJKSA-N 0 1 315.461 2.633 20 10 DFCDMN COc1ccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113318554 426112046 /nfs/dbraw/zinc/11/20/46/426112046.db2.gz OEASVUNINYBEFX-MRXNPFEDSA-N 0 1 307.777 2.877 20 10 DFCDMN COc1ccc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113318556 426112081 /nfs/dbraw/zinc/11/20/81/426112081.db2.gz OEASVUNINYBEFX-INIZCTEOSA-N 0 1 307.777 2.877 20 10 DFCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1C ZINC000128558383 426122496 /nfs/dbraw/zinc/12/24/96/426122496.db2.gz XPBYRNBSBQOYCH-OAHLLOKOSA-N 0 1 300.406 2.513 20 10 DFCDMN CC[C@H]([NH2+]C[C@@H](C)CO)c1cc(Br)ccc1[O-] ZINC000086623133 426260162 /nfs/dbraw/zinc/26/01/62/426260162.db2.gz FYLGJASQQRIKTI-SKDRFNHKSA-N 0 1 302.212 2.824 20 10 DFCDMN Cc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCCN2c2cccnn2)c1 ZINC000120401522 426311265 /nfs/dbraw/zinc/31/12/65/426311265.db2.gz NPWSKGZNGVBORO-INIZCTEOSA-N 0 1 312.417 2.591 20 10 DFCDMN CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000089212010 426283033 /nfs/dbraw/zinc/28/30/33/426283033.db2.gz BQZIQBPRTUFEJB-CYBMUJFWSA-N 0 1 316.449 2.908 20 10 DFCDMN COc1cccc(CN(C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000093712825 426357725 /nfs/dbraw/zinc/35/77/25/426357725.db2.gz NJOVRTPPLVELFA-QFIPXVFZSA-N 0 1 319.426 2.770 20 10 DFCDMN COC(=O)c1cc(CN(C)Cc2cccc(OC)c2O)oc1C ZINC000122432542 426375304 /nfs/dbraw/zinc/37/53/04/426375304.db2.gz LBGFYAGFUXELTD-UHFFFAOYSA-N 0 1 319.357 2.721 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@](C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000280209130 426523402 /nfs/dbraw/zinc/52/34/02/426523402.db2.gz IMRMNERMNORJHG-MRXNPFEDSA-N 0 1 324.377 2.700 20 10 DFCDMN C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000280418748 426572330 /nfs/dbraw/zinc/57/23/30/426572330.db2.gz ZATGTEUJJIMDPG-LJQANCHMSA-N 0 1 310.397 2.757 20 10 DFCDMN COC(=O)CC1([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CCCC1 ZINC000280544536 426596511 /nfs/dbraw/zinc/59/65/11/426596511.db2.gz TXQATBKOJYOBDQ-UHFFFAOYSA-N 0 1 323.364 2.699 20 10 DFCDMN C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc2ccccc2c1[O-] ZINC000280778314 426655639 /nfs/dbraw/zinc/65/56/39/426655639.db2.gz GQSASTHVXXAJIH-JTQLQIEISA-N 0 1 308.328 2.577 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1 ZINC000281273630 426709263 /nfs/dbraw/zinc/70/92/63/426709263.db2.gz NXLXCTAOZWWSCW-GFCCVEGCSA-N 0 1 314.769 2.955 20 10 DFCDMN COc1ccc(O)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179694410 426812028 /nfs/dbraw/zinc/81/20/28/426812028.db2.gz CHLISSURNBCOIR-UHFFFAOYSA-N 0 1 302.330 2.941 20 10 DFCDMN Cc1noc(C)c1CN1CCN(Cc2cccc(C)c2O)CC1 ZINC000179759427 426817415 /nfs/dbraw/zinc/81/74/15/426817415.db2.gz YJSQJFFSAQERRJ-UHFFFAOYSA-N 0 1 315.417 2.623 20 10 DFCDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)n[nH]1 ZINC000276865658 427126801 /nfs/dbraw/zinc/12/68/01/427126801.db2.gz GRAFAGLBGRHQKW-SCZZXKLOSA-N 0 1 318.377 2.529 20 10 DFCDMN CN(C)c1ccncc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183366909 427252807 /nfs/dbraw/zinc/25/28/07/427252807.db2.gz AYTVDLZVBCSPRH-UHFFFAOYSA-N 0 1 324.428 2.678 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cnn(C)c2C)c1[O-] ZINC000183385345 427259621 /nfs/dbraw/zinc/25/96/21/427259621.db2.gz HOIGXKVLZCBYHC-VIFPVBQESA-N 0 1 305.353 2.627 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c1[O-] ZINC000270134085 427319105 /nfs/dbraw/zinc/31/91/05/427319105.db2.gz PAQLPYCMAIWHAU-IAQYHMDHSA-N 0 1 311.809 2.841 20 10 DFCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(N(C)C)nc1 ZINC000271020537 427376068 /nfs/dbraw/zinc/37/60/68/427376068.db2.gz UDWQZJDRVKDMSF-UHFFFAOYSA-N 0 1 313.449 2.631 20 10 DFCDMN Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000278057221 427395439 /nfs/dbraw/zinc/39/54/39/427395439.db2.gz YMMJJAFXECHSNC-MRXNPFEDSA-N 0 1 306.450 2.600 20 10 DFCDMN C[C@@H](c1cnccn1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000184412413 427453911 /nfs/dbraw/zinc/45/39/11/427453911.db2.gz LHPLRMYFDRHBJI-HNNXBMFYSA-N 0 1 312.417 2.506 20 10 DFCDMN COC(=O)c1coc([C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000278301037 427426086 /nfs/dbraw/zinc/42/60/86/427426086.db2.gz RWEFISCSBFSKKQ-LBPRGKRZSA-N 0 1 302.374 2.983 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000278325682 427430905 /nfs/dbraw/zinc/43/09/05/427430905.db2.gz GORBUXQHYNWTPT-BXUZGUMPSA-N 0 1 324.396 2.876 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000271180981 427434382 /nfs/dbraw/zinc/43/43/82/427434382.db2.gz DLGHTVQCRKKFHT-ZDUSSCGKSA-N 0 1 309.768 2.878 20 10 DFCDMN CN(C)c1ccc(CN[C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000293796672 427438542 /nfs/dbraw/zinc/43/85/42/427438542.db2.gz QYINOAQUBVROLV-HNNXBMFYSA-N 0 1 313.430 2.811 20 10 DFCDMN CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1O ZINC000278476813 427442991 /nfs/dbraw/zinc/44/29/91/427442991.db2.gz KFJDHDSYYDFTJB-DOTOQJQBSA-N 0 1 306.450 2.934 20 10 DFCDMN COc1c([O-])c(C[NH2+]Cc2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000278544135 427443492 /nfs/dbraw/zinc/44/34/92/427443492.db2.gz XURJVEWNRDNHRG-UHFFFAOYSA-N 0 1 323.374 2.672 20 10 DFCDMN CC[C@@H](N[C@H]1CCCn2nc(COC)nc21)c1ccccc1O ZINC000185213982 427613536 /nfs/dbraw/zinc/61/35/36/427613536.db2.gz JMSIOXGRLOTETO-KGLIPLIRSA-N 0 1 316.405 2.706 20 10 DFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000294459523 427642349 /nfs/dbraw/zinc/64/23/49/427642349.db2.gz YUCVKHSYVHPSJF-GXTWGEPZSA-N 0 1 317.813 2.891 20 10 DFCDMN Cc1ccccc1[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294646405 427647940 /nfs/dbraw/zinc/64/79/40/427647940.db2.gz BPAUHQUXQBEASG-GOSISDBHSA-N 0 1 311.429 2.719 20 10 DFCDMN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185463801 427657940 /nfs/dbraw/zinc/65/79/40/427657940.db2.gz PSGPXOOCZMSWBS-ZANVPECISA-N 0 1 302.212 2.822 20 10 DFCDMN COCCCN(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185553685 427670491 /nfs/dbraw/zinc/67/04/91/427670491.db2.gz IKYHSKQPMJYCNG-GFCCVEGCSA-N 0 1 300.830 2.665 20 10 DFCDMN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1[O-] ZINC000185829661 427713813 /nfs/dbraw/zinc/71/38/13/427713813.db2.gz BEIZWUUFMBJSAX-JBLDHEPKSA-N 0 1 312.207 2.742 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000279663976 427714865 /nfs/dbraw/zinc/71/48/65/427714865.db2.gz GQVMDPXKCOHKPJ-ZDUSSCGKSA-N 0 1 314.223 2.795 20 10 DFCDMN CC1(C)CN(Cc2cc(Cl)ccc2O)C[C@]2(CCOC2)O1 ZINC000369546343 427995301 /nfs/dbraw/zinc/99/53/01/427995301.db2.gz OGYOOOJIIVWVHZ-INIZCTEOSA-N 0 1 311.809 2.816 20 10 DFCDMN CC1(C)C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000369546343 427995306 /nfs/dbraw/zinc/99/53/06/427995306.db2.gz OGYOOOJIIVWVHZ-INIZCTEOSA-N 0 1 311.809 2.816 20 10 DFCDMN CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000369546343 427995313 /nfs/dbraw/zinc/99/53/13/427995313.db2.gz OGYOOOJIIVWVHZ-INIZCTEOSA-N 0 1 311.809 2.816 20 10 DFCDMN O=C(N[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1)C1CCC1 ZINC000371416509 428390242 /nfs/dbraw/zinc/39/02/42/428390242.db2.gz HLLNKFPHGHPVHH-ZDUSSCGKSA-N 0 1 308.809 2.536 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@]2(CCCOC2)O1 ZINC000373470947 428585311 /nfs/dbraw/zinc/58/53/11/428585311.db2.gz UYRJKEOYZOUNQP-AEFFLSMTSA-N 0 1 305.418 2.861 20 10 DFCDMN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1[O-] ZINC000363868535 429132352 /nfs/dbraw/zinc/13/23/52/429132352.db2.gz NUSDANAMTSHTGH-AAEUAGOBSA-N 0 1 320.824 2.709 20 10 DFCDMN COc1cc(O)c(C[N@H+]2CCOCC3(CCCC3)C2)cc1OC ZINC000364286299 429176493 /nfs/dbraw/zinc/17/64/93/429176493.db2.gz BDTRRVMWFDEEDB-UHFFFAOYSA-N 0 1 321.417 2.802 20 10 DFCDMN COC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000365800972 429375543 /nfs/dbraw/zinc/37/55/43/429375543.db2.gz ZQQFRJUMFKCIFH-GFCCVEGCSA-N 0 1 324.377 2.558 20 10 DFCDMN CN(C)c1ccc(CN2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000366442935 429451838 /nfs/dbraw/zinc/45/18/38/429451838.db2.gz QKYUCUTVVMSUQD-KRWDZBQOSA-N 0 1 324.490 2.542 20 10 DFCDMN CC[C@H](c1ccccc1O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000367359681 429630521 /nfs/dbraw/zinc/63/05/21/429630521.db2.gz AOBHJNLDQDTSJN-YUELXQCFSA-N 0 1 317.389 2.997 20 10 DFCDMN CN(C)c1ccc(CN2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000279632530 276883212 /nfs/dbraw/zinc/88/32/12/276883212.db2.gz LAFKYFYDEPALFH-UHFFFAOYSA-N 0 1 302.340 2.728 20 10 DFCDMN CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cccc(F)c1[O-] ZINC000282917405 278112625 /nfs/dbraw/zinc/11/26/25/278112625.db2.gz DVPMLUOSWRSYAV-UHFFFAOYSA-N 0 1 322.405 2.731 20 10 DFCDMN C[C@H](CCCO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185689802 333211755 /nfs/dbraw/zinc/21/17/55/333211755.db2.gz HHXIIFLNYUHBFR-NXEZZACHSA-N 0 1 302.212 2.966 20 10 DFCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCC[C@@H]1O ZINC000091899115 332114193 /nfs/dbraw/zinc/11/41/93/332114193.db2.gz SOOSQXBOCRGLAQ-RNCFNFMXSA-N 0 1 314.769 2.547 20 10 DFCDMN Cc1cc(O)c(CN2CCN(Cc3ccccn3)CC2)cc1C ZINC000122517011 332409487 /nfs/dbraw/zinc/40/94/87/332409487.db2.gz QYBWBMVZXHXDAY-UHFFFAOYSA-N 0 1 311.429 2.722 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293868428 335115422 /nfs/dbraw/zinc/11/54/22/335115422.db2.gz CLALQMKCMSSXHH-LBPRGKRZSA-N 0 1 300.196 2.502 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293868428 335115423 /nfs/dbraw/zinc/11/54/23/335115423.db2.gz CLALQMKCMSSXHH-LBPRGKRZSA-N 0 1 300.196 2.502 20 10 DFCDMN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](O)CC2)c1O ZINC000293946109 335116150 /nfs/dbraw/zinc/11/61/50/335116150.db2.gz ILYFMKAWJUPYPG-ZDUSSCGKSA-N 0 1 314.223 2.810 20 10 DFCDMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(Cl)c(F)cc1O ZINC000295226916 335131366 /nfs/dbraw/zinc/13/13/66/335131366.db2.gz CIPPHMVAJYAAII-LQJGKPAFSA-N 0 1 305.802 2.526 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000371015997 335890786 /nfs/dbraw/zinc/89/07/86/335890786.db2.gz DJGZEEXGDJWXFA-UHFFFAOYSA-N 0 1 303.789 2.665 20 10 DFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@]12CCCO2 ZINC000368707994 336851204 /nfs/dbraw/zinc/85/12/04/336851204.db2.gz UTCYWTHKTQAFII-XHSDSOJGSA-N 0 1 311.809 2.862 20 10 DFCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377694221 337058767 /nfs/dbraw/zinc/05/87/67/337058767.db2.gz LHYGHPQBYRBIEU-TZMCWYRMSA-N 0 1 315.772 2.565 20 10 DFCDMN CC[C@@H](c1ccccc1O)N1CCO[C@@H](c2nnc(C)o2)C1 ZINC000377713714 337059339 /nfs/dbraw/zinc/05/93/39/337059339.db2.gz AKUKRIQPSWLMPE-DZGCQCFKSA-N 0 1 303.362 2.608 20 10 DFCDMN Oc1cc2c(cc1CN[C@@H]1COc3c1cccc3Cl)OCO2 ZINC000378089539 337066268 /nfs/dbraw/zinc/06/62/68/337066268.db2.gz JLKVVUMOLWUPPM-GFCCVEGCSA-N 0 1 319.744 2.998 20 10 DFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000180078047 337173586 /nfs/dbraw/zinc/17/35/86/337173586.db2.gz NGSKTXVLGAOBML-UHFFFAOYSA-N 0 1 318.808 2.548 20 10 DFCDMN CCN1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226036229 337196261 /nfs/dbraw/zinc/19/62/61/337196261.db2.gz DKFJXJNWEUKGKD-CYBMUJFWSA-N 0 1 313.239 2.729 20 10 DFCDMN Oc1ccc(Cl)c(F)c1CN1CCOC2(CCOCC2)C1 ZINC000191438929 337296973 /nfs/dbraw/zinc/29/69/73/337296973.db2.gz HKEWSOLUJHVEGV-UHFFFAOYSA-N 0 1 315.772 2.566 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c1[O-] ZINC000251710655 341419399 /nfs/dbraw/zinc/41/93/99/341419399.db2.gz JJZVPZZNOIMQNH-ZUZCIYMTSA-N 0 1 310.825 2.630 20 10 DFCDMN CCN(C)[C@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000236887896 520275523 /nfs/dbraw/zinc/27/55/23/520275523.db2.gz HWMYOPFDYGJLPF-SFHVURJKSA-N 0 1 311.429 2.621 20 10 DFCDMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000131179853 524864910 /nfs/dbraw/zinc/86/49/10/524864910.db2.gz AMDHVJUYRIHKNK-BTYIYWSLSA-N 0 1 308.491 2.876 20 10 DFCDMN O=C(NC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)C1CC1 ZINC000179912734 527528701 /nfs/dbraw/zinc/52/87/01/527528701.db2.gz IDWADLOMXQIGBG-UHFFFAOYSA-N 0 1 308.809 2.536 20 10 DFCDMN C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C(=O)[O-] ZINC000828457341 601820317 /nfs/dbraw/zinc/82/03/17/601820317.db2.gz STALUFWGYUATAC-GXFFZTMASA-N 0 1 307.390 2.548 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1O ZINC000823659791 601919609 /nfs/dbraw/zinc/91/96/09/601919609.db2.gz UBPSOCWNEXVZGF-HNNXBMFYSA-N 0 1 311.765 2.545 20 10 DFCDMN CCC[N@H+](Cc1ccccc1O)CC1CCN(C(=O)[O-])CC1 ZINC000739359149 602183162 /nfs/dbraw/zinc/18/31/62/602183162.db2.gz IMBDLNZCQKCQOV-UHFFFAOYSA-N 0 1 306.406 2.994 20 10 DFCDMN CCCN(CCC)c1ccc(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000833650801 604630665 /nfs/dbraw/zinc/63/06/65/604630665.db2.gz BKSVASXVRFQGBO-QGZVFWFLSA-N 0 1 320.433 2.598 20 10 DFCDMN CCCN(CCC)c1ccc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000833650801 604630669 /nfs/dbraw/zinc/63/06/69/604630669.db2.gz BKSVASXVRFQGBO-QGZVFWFLSA-N 0 1 320.433 2.598 20 10 DFCDMN COc1ccc(O)c(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000321375030 605246051 /nfs/dbraw/zinc/24/60/51/605246051.db2.gz VCJVDWPJJRDVEQ-KRWDZBQOSA-N 0 1 313.353 2.585 20 10 DFCDMN O=C([O-])N1CCC([N@@H+](Cc2cc(F)ccc2O)C2CC2)CC1 ZINC000834080911 605562886 /nfs/dbraw/zinc/56/28/86/605562886.db2.gz CCIHGXLHGTXFJG-UHFFFAOYSA-N 0 1 308.353 2.638 20 10 DFCDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000833814187 605601876 /nfs/dbraw/zinc/60/18/76/605601876.db2.gz RPWQEZCWRKVMCX-QWRGUYRKSA-N 0 1 312.797 2.914 20 10 DFCDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093482458 398639062 /nfs/dbraw/zinc/63/90/62/398639062.db2.gz PISQMPDBDQCNDO-BXKDBHETSA-N 0 1 314.769 2.689 20 10 DFCDMN COC(=O)CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000079435119 399044993 /nfs/dbraw/zinc/04/49/93/399044993.db2.gz SHKRIZNXFAHEJX-UHFFFAOYSA-N 0 1 311.353 2.507 20 10 DFCDMN COC(=O)CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000079435119 399044999 /nfs/dbraw/zinc/04/49/99/399044999.db2.gz SHKRIZNXFAHEJX-UHFFFAOYSA-N 0 1 311.353 2.507 20 10 DFCDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000273489191 130127873 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C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1[O-] ZINC000287214190 131269282 /nfs/dbraw/zinc/26/92/82/131269282.db2.gz XBTHMVTZRKCNMW-QWRGUYRKSA-N 0 1 317.838 2.521 20 10 DFCDMN CCOc1cccc(CN(CCOC)Cc2cccnc2)c1O ZINC000289423261 131385256 /nfs/dbraw/zinc/38/52/56/131385256.db2.gz JKHLAXZBSBJDSE-UHFFFAOYSA-N 0 1 316.401 2.835 20 10 DFCDMN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000293049080 543019105 /nfs/dbraw/zinc/01/91/05/543019105.db2.gz RIFFAKLBZYXQEB-IINYFYTJSA-N 0 1 314.223 2.795 20 10 DFCDMN CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109770527 426032548 /nfs/dbraw/zinc/03/25/48/426032548.db2.gz ODMVXFONCGUVSQ-CYBMUJFWSA-N 0 1 316.405 2.629 20 10 DFCDMN COc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccccc1O ZINC000109769592 426033198 /nfs/dbraw/zinc/03/31/98/426033198.db2.gz MZBOICVPNVCWKE-UHFFFAOYSA-N 0 1 302.330 2.941 20 10 DFCDMN CCCN(CC(=O)N(C)c1nccs1)Cc1ccccc1O ZINC000111214368 426038823 /nfs/dbraw/zinc/03/88/23/426038823.db2.gz UKPCCWJFCRXOOF-UHFFFAOYSA-N 0 1 319.430 2.724 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1O ZINC000164616107 426115145 /nfs/dbraw/zinc/11/51/45/426115145.db2.gz AHEKVZPYELXBSW-JTQLQIEISA-N 0 1 311.765 2.545 20 10 DFCDMN CC[C@@H]([NH2+]C[C@@H](C)CO)c1cc(Br)ccc1[O-] ZINC000086623136 426260209 /nfs/dbraw/zinc/26/02/09/426260209.db2.gz FYLGJASQQRIKTI-BXKDBHETSA-N 0 1 302.212 2.824 20 10 DFCDMN FC(F)Oc1ccc(N2CCC[C@H](NCc3cc[nH]n3)C2)cc1 ZINC000174621572 426261188 /nfs/dbraw/zinc/26/11/88/426261188.db2.gz DVUYJYACKXMODC-ZDUSSCGKSA-N 0 1 322.359 2.770 20 10 DFCDMN CCOc1cccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1O ZINC000121216770 426325672 /nfs/dbraw/zinc/32/56/72/426325672.db2.gz MVPFMIPGQVBRFJ-ZDUSSCGKSA-N 0 1 301.390 2.894 20 10 DFCDMN CCOc1cccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1O ZINC000121216943 426326487 /nfs/dbraw/zinc/32/64/87/426326487.db2.gz MVPFMIPGQVBRFJ-CYBMUJFWSA-N 0 1 301.390 2.894 20 10 DFCDMN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(N(C)C)cc3)[C@H]2C1 ZINC000092095205 426347020 /nfs/dbraw/zinc/34/70/20/426347020.db2.gz ZAXUPRYQGZNJCV-FGTMMUONSA-N 0 1 304.434 2.521 20 10 DFCDMN CCN(Cc1ccnn1C)Cc1cc(Br)ccc1O ZINC000093866970 426359754 /nfs/dbraw/zinc/35/97/54/426359754.db2.gz AZJWLHVQMVJOFW-UHFFFAOYSA-N 0 1 324.222 2.910 20 10 DFCDMN C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc2ccccc2c1[O-] ZINC000186149729 426488860 /nfs/dbraw/zinc/48/88/60/426488860.db2.gz IDGVZKKNXDXVPS-CQSZACIVSA-N 0 1 315.413 2.985 20 10 DFCDMN Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280304322 426546382 /nfs/dbraw/zinc/54/63/82/426546382.db2.gz PBVJMKZYUQLSAO-WBMJQRKESA-N 0 1 311.809 2.734 20 10 DFCDMN c1cc(N2CCCCC2)ccc1CN1CCO[C@]2(CCOC2)C1 ZINC000187534305 426668939 /nfs/dbraw/zinc/66/89/39/426668939.db2.gz SPALGWWNGXRDCX-LJQANCHMSA-N 0 1 316.445 2.668 20 10 DFCDMN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000289674797 426671227 /nfs/dbraw/zinc/67/12/27/426671227.db2.gz ZHHBPYGBJYLXDP-ZDUSSCGKSA-N 0 1 310.369 2.632 20 10 DFCDMN CCCOc1ccc(CNCc2ncccc2N(C)C)c(O)c1 ZINC000289681817 426672871 /nfs/dbraw/zinc/67/28/71/426672871.db2.gz CMENCDPKSNQXAY-UHFFFAOYSA-N 0 1 315.417 2.932 20 10 DFCDMN CCOc1cccc(CNCc2ncccc2N(C)C)c1O ZINC000289744378 426673732 /nfs/dbraw/zinc/67/37/32/426673732.db2.gz HTBDBERRNQAZSX-UHFFFAOYSA-N 0 1 301.390 2.542 20 10 DFCDMN Cn1ncc(CN(Cc2ccccc2O)C2CCCCC2)n1 ZINC000290020032 426679570 /nfs/dbraw/zinc/67/95/70/426679570.db2.gz PFIQIIYPCKCKIL-UHFFFAOYSA-N 0 1 300.406 2.856 20 10 DFCDMN CC(C)(C)OC(=O)NCC[NH2+]Cc1c([O-])cccc1Cl ZINC000227600514 426628194 /nfs/dbraw/zinc/62/81/94/426628194.db2.gz UIECZJVZCFETJT-UHFFFAOYSA-N 0 1 300.786 2.660 20 10 DFCDMN COc1cc(Cl)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1O ZINC000281340232 426714583 /nfs/dbraw/zinc/71/45/83/426714583.db2.gz SPRUFBPTDWPKFO-UHFFFAOYSA-N 0 1 312.841 2.972 20 10 DFCDMN CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)C(C)C)cc1 ZINC000290192281 426715166 /nfs/dbraw/zinc/71/51/66/426715166.db2.gz GAAHILZKVJDCGO-CQSZACIVSA-N 0 1 312.479 2.617 20 10 DFCDMN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccccc1O ZINC000245792429 426771932 /nfs/dbraw/zinc/77/19/32/426771932.db2.gz CPNYRMNCKWGCNA-KFWWJZLASA-N 0 1 304.434 2.717 20 10 DFCDMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)Cc1ccccc1O ZINC000245819865 426773417 /nfs/dbraw/zinc/77/34/17/426773417.db2.gz UUFRWSXUKVITPV-YCPHGPKFSA-N 0 1 304.434 2.907 20 10 DFCDMN CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccccc1O ZINC000179559486 426801613 /nfs/dbraw/zinc/80/16/13/426801613.db2.gz BWPUGOZHHLLNHE-UHFFFAOYSA-N 0 1 314.385 2.861 20 10 DFCDMN Oc1ccccc1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000179586505 426805805 /nfs/dbraw/zinc/80/58/05/426805805.db2.gz ZKTYENABPWFFEU-PKOBYXMFSA-N 0 1 313.397 2.717 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291028501 426873687 /nfs/dbraw/zinc/87/36/87/426873687.db2.gz BCQUZJNBNWCLCC-SFHVURJKSA-N 0 1 301.361 2.667 20 10 DFCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC[NH+](C)CC1 ZINC000295243653 426876333 /nfs/dbraw/zinc/87/63/33/426876333.db2.gz FDNVJDAPXVDOBH-UHFFFAOYSA-N 0 1 300.805 2.958 20 10 DFCDMN Cc1ccccc1[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000295284818 426890563 /nfs/dbraw/zinc/89/05/63/426890563.db2.gz WNTKQLZBJZBBSJ-IBGZPJMESA-N 0 1 324.424 2.896 20 10 DFCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1O ZINC000276085633 426982442 /nfs/dbraw/zinc/98/24/42/426982442.db2.gz XOUNMZNWZVTVMA-GFCCVEGCSA-N 0 1 314.769 2.547 20 10 DFCDMN COC1CCN(c2ccc(CN3CCO[C@H](C)[C@H]3C)cc2)CC1 ZINC000296754845 427230627 /nfs/dbraw/zinc/23/06/27/427230627.db2.gz LAOSTTHFAXRDLB-HZPDHXFCSA-N 0 1 318.461 2.911 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000269810969 427282121 /nfs/dbraw/zinc/28/21/21/427282121.db2.gz OTGBFGYRNURKFP-YGRLFVJLSA-N 0 1 311.809 2.984 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000269810969 427282128 /nfs/dbraw/zinc/28/21/28/427282128.db2.gz OTGBFGYRNURKFP-YGRLFVJLSA-N 0 1 311.809 2.984 20 10 DFCDMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000191674827 427404787 /nfs/dbraw/zinc/40/47/87/427404787.db2.gz LJURSMHPGBNUJG-QKCSRTOESA-N 0 1 309.793 2.819 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000271234730 427463237 /nfs/dbraw/zinc/46/32/37/427463237.db2.gz AQLPUXMQNMLCRF-UHFFFAOYSA-N 0 1 306.797 2.549 20 10 DFCDMN C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCC[C@H]1O ZINC000271265687 427475012 /nfs/dbraw/zinc/47/50/12/427475012.db2.gz LSOSWRCLWZBONI-GXFFZTMASA-N 0 1 314.223 2.748 20 10 DFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCC[C@H]1O ZINC000271265687 427475019 /nfs/dbraw/zinc/47/50/19/427475019.db2.gz LSOSWRCLWZBONI-GXFFZTMASA-N 0 1 314.223 2.748 20 10 DFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCC[C@H]1O ZINC000271265687 427475025 /nfs/dbraw/zinc/47/50/25/427475025.db2.gz LSOSWRCLWZBONI-GXFFZTMASA-N 0 1 314.223 2.748 20 10 DFCDMN CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCS1 ZINC000278223390 427423577 /nfs/dbraw/zinc/42/35/77/427423577.db2.gz LRZZCNFHAGORCT-NSHDSACASA-N 0 1 312.391 2.636 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCS1 ZINC000278223390 427423587 /nfs/dbraw/zinc/42/35/87/427423587.db2.gz LRZZCNFHAGORCT-NSHDSACASA-N 0 1 312.391 2.636 20 10 DFCDMN COC(=O)c1coc([C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000278301033 427427650 /nfs/dbraw/zinc/42/76/50/427427650.db2.gz RWEFISCSBFSKKQ-GFCCVEGCSA-N 0 1 302.374 2.983 20 10 DFCDMN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Cl)ccc1[O-] ZINC000278396623 427429579 /nfs/dbraw/zinc/42/95/79/427429579.db2.gz GHWCXAQLHGYRSI-GFCCVEGCSA-N 0 1 310.825 2.561 20 10 DFCDMN C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000184850385 427551208 /nfs/dbraw/zinc/55/12/08/427551208.db2.gz QIAYRNHBZVGAAE-GXSJLCMTSA-N 0 1 300.196 2.984 20 10 DFCDMN Cc1cc(C)c([C@@H](C)NCc2nnc3n2CCCC3)c(O)c1 ZINC000294132328 427559020 /nfs/dbraw/zinc/55/90/20/427559020.db2.gz LIXOECZNSMKGHE-CYBMUJFWSA-N 0 1 300.406 2.788 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CCO)c2ccccc2)c1[O-] ZINC000271817030 427583101 /nfs/dbraw/zinc/58/31/01/427583101.db2.gz VDIPVXPCXSZHIV-QGZVFWFLSA-N 0 1 317.360 2.947 20 10 DFCDMN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000185317323 427633302 /nfs/dbraw/zinc/63/33/02/427633302.db2.gz DDHNAHVUHRPPPR-BXKDBHETSA-N 0 1 306.797 2.611 20 10 DFCDMN C[C@H]([NH2+]CCCCCO)c1ccc(Br)cc1[O-] ZINC000192923780 427636528 /nfs/dbraw/zinc/63/65/28/427636528.db2.gz SROFLMXHHBJACQ-JTQLQIEISA-N 0 1 302.212 2.968 20 10 DFCDMN C[C@H]1OCC[C@]12CN(Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733560 427648766 /nfs/dbraw/zinc/64/87/66/427648766.db2.gz QGCCYSAPTLTSHG-BMIGLBTASA-N 0 1 315.772 2.565 20 10 DFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000294718564 427649031 /nfs/dbraw/zinc/64/90/31/427649031.db2.gz PGZPKYJYCNAHCM-HNNXBMFYSA-N 0 1 315.772 2.566 20 10 DFCDMN Cc1ccccc1[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000294695770 427649492 /nfs/dbraw/zinc/64/94/92/427649492.db2.gz AOLHXHFXZIBWHW-KRWDZBQOSA-N 0 1 315.392 2.516 20 10 DFCDMN NC(=O)c1cccc(C[N@@H+](Cc2cccc(F)c2[O-])C2CC2)c1 ZINC000294749610 427650774 /nfs/dbraw/zinc/65/07/74/427650774.db2.gz IBBBJUMYTYGIMB-UHFFFAOYSA-N 0 1 314.360 2.795 20 10 DFCDMN CCC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185436184 427652550 /nfs/dbraw/zinc/65/25/50/427652550.db2.gz FYKPQZXHQLRKEJ-ONGXEEELSA-N 0 1 302.212 2.966 20 10 DFCDMN Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1O ZINC000279439862 427670594 /nfs/dbraw/zinc/67/05/94/427670594.db2.gz OZCSZOOOWZBTFW-CYBMUJFWSA-N 0 1 312.841 2.507 20 10 DFCDMN COC1CCN(c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000294951609 427666451 /nfs/dbraw/zinc/66/64/51/427666451.db2.gz JAQZIIHUUPYNIE-IYBDPMFKSA-N 0 1 318.461 2.911 20 10 DFCDMN CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185657058 427686498 /nfs/dbraw/zinc/68/64/98/427686498.db2.gz MOBJBTOKNGYJOO-BXKDBHETSA-N 0 1 302.212 2.822 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1[O-] ZINC000295092087 427689473 /nfs/dbraw/zinc/68/94/73/427689473.db2.gz AENNBNIHUHVSJH-DAXOMENPSA-N 0 1 307.365 2.637 20 10 DFCDMN CS[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295129609 427704810 /nfs/dbraw/zinc/70/48/10/427704810.db2.gz XUNXBSQVUAUASI-JTQLQIEISA-N 0 1 302.783 2.891 20 10 DFCDMN CC[NH+](CC)[C@H](C)CNCc1cc(Cl)cc(OC)c1O ZINC000279630039 427715876 /nfs/dbraw/zinc/71/58/76/427715876.db2.gz HWZGVEAANZBHGB-LLVKDONJSA-N 0 1 300.830 2.874 20 10 DFCDMN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN1C1CC1 ZINC000279761021 427717049 /nfs/dbraw/zinc/71/70/49/427717049.db2.gz DXJHDOGAMRJEQO-QGZVFWFLSA-N 0 1 314.429 2.514 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1cc(Cl)ccc1[O-] ZINC000371875827 428406671 /nfs/dbraw/zinc/40/66/71/428406671.db2.gz GOJOJMJPUKFGFV-YPMHNXCESA-N 0 1 320.824 2.709 20 10 DFCDMN COc1cccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000373227956 428523017 /nfs/dbraw/zinc/52/30/17/428523017.db2.gz LCKSARIYZUQHSN-CQSZACIVSA-N 0 1 301.390 2.514 20 10 DFCDMN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2[O-])CN1 ZINC000373217871 428524574 /nfs/dbraw/zinc/52/45/74/428524574.db2.gz SJSIXSOXMCJBGE-JSGCOSHPSA-N 0 1 308.809 2.536 20 10 DFCDMN COc1cccc([C@@H]2C[C@H](O)C[N@H+]2Cc2cccc(F)c2[O-])c1 ZINC000374361992 428676753 /nfs/dbraw/zinc/67/67/53/428676753.db2.gz YIJXFUBOUPZSBE-YOEHRIQHSA-N 0 1 317.360 2.848 20 10 DFCDMN CN(C)c1ccc(CN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1F ZINC000362617349 428793477 /nfs/dbraw/zinc/79/34/77/428793477.db2.gz OWBJIYKWMMJYNF-KMFMINBZSA-N 0 1 319.424 2.510 20 10 DFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000364506764 429215740 /nfs/dbraw/zinc/21/57/40/429215740.db2.gz RQMMSWQEDMSNPT-VIFPVBQESA-N 0 1 310.760 2.682 20 10 DFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC2)C1 ZINC000443931934 429257996 /nfs/dbraw/zinc/25/79/96/429257996.db2.gz YHIYVAJHPGIXLV-UHFFFAOYSA-N 0 1 311.429 2.640 20 10 DFCDMN CC[C@@H](c1ccccc1O)N1CCO[C@@H](c2nncn2CC)C1 ZINC000365524454 429334711 /nfs/dbraw/zinc/33/47/11/429334711.db2.gz ANBZNZZTVALIOT-GOEBONIOSA-N 0 1 316.405 2.528 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCOC3)c1[O-] ZINC000367047363 429566312 /nfs/dbraw/zinc/56/63/12/429566312.db2.gz IIRWOAPRWVLQKZ-AWEZNQCLSA-N 0 1 312.753 2.709 20 10 DFCDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000367702076 429702504 /nfs/dbraw/zinc/70/25/04/429702504.db2.gz LXQVCOCTYWFRIH-JTQLQIEISA-N 0 1 309.772 2.908 20 10 DFCDMN C[C@@H]1CCOCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000368132135 429796360 /nfs/dbraw/zinc/79/63/60/429796360.db2.gz PKKNCQBOORXWKH-SECBINFHSA-N 0 1 300.742 2.565 20 10 DFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@]2(CCCOC2)C1 ZINC000368050194 429775092 /nfs/dbraw/zinc/77/50/92/429775092.db2.gz DGXWBXTWNDZQID-HNNXBMFYSA-N 0 1 315.772 2.566 20 10 DFCDMN C[C@H]1CCOCCN1Cc1cc(Br)ccc1O ZINC000368131130 429793265 /nfs/dbraw/zinc/79/32/65/429793265.db2.gz JQUGJMVPFOYIAZ-JTQLQIEISA-N 0 1 300.196 2.766 20 10 DFCDMN C[C@@H]1CCOCCN1Cc1cc(Br)ccc1O ZINC000368131131 429793779 /nfs/dbraw/zinc/79/37/79/429793779.db2.gz JQUGJMVPFOYIAZ-SNVBAGLBSA-N 0 1 300.196 2.766 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2nnc[nH]2)c1O ZINC000182703618 277106070 /nfs/dbraw/zinc/10/60/70/277106070.db2.gz ARQBBKMHOBTSRC-AWEZNQCLSA-N 0 1 318.352 2.579 20 10 DFCDMN COc1ccccc1C[N@@H+](CCO)Cc1cccc(F)c1[O-] ZINC000272333687 334033018 /nfs/dbraw/zinc/03/30/18/334033018.db2.gz WYTPKYCFYCWGQX-UHFFFAOYSA-N 0 1 305.349 2.534 20 10 DFCDMN CCOc1cccc(CN2CCC(O)(C(F)(F)F)CC2)c1O ZINC000272531184 334036663 /nfs/dbraw/zinc/03/66/63/334036663.db2.gz AQOQRQPRNUERJF-UHFFFAOYSA-N 0 1 319.323 2.680 20 10 DFCDMN C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000280939217 334121585 /nfs/dbraw/zinc/12/15/85/334121585.db2.gz SKBHEOWUQDLYPE-NUEKZKHPSA-N 0 1 315.413 2.841 20 10 DFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@]12CCCO2 ZINC000368707991 336851224 /nfs/dbraw/zinc/85/12/24/336851224.db2.gz UTCYWTHKTQAFII-ARFHVFGLSA-N 0 1 311.809 2.862 20 10 DFCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000375256042 337006589 /nfs/dbraw/zinc/00/65/89/337006589.db2.gz LTIUBNXRYUIOPN-SJLPKXTDSA-N 0 1 318.461 2.888 20 10 DFCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000375256042 337006590 /nfs/dbraw/zinc/00/65/90/337006590.db2.gz LTIUBNXRYUIOPN-SJLPKXTDSA-N 0 1 318.461 2.888 20 10 DFCDMN CN1CCc2cc(CN[C@@H](c3nnc[nH]3)c3ccccc3)ccc21 ZINC000375396608 337010224 /nfs/dbraw/zinc/01/02/24/337010224.db2.gz VWVMRTDWUGMUGZ-GOSISDBHSA-N 0 1 319.412 2.676 20 10 DFCDMN C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc(F)ccc1[O-] ZINC000376005658 337025121 /nfs/dbraw/zinc/02/51/21/337025121.db2.gz WVPVNYBPTXTYJK-NFAWXSAZSA-N 0 1 320.408 2.973 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000376444909 337033594 /nfs/dbraw/zinc/03/35/94/337033594.db2.gz XTFYKUJZIMSUMB-SJLPKXTDSA-N 0 1 305.418 2.861 20 10 DFCDMN COc1ccc2c(c1)OCC[N@H+](Cc1cccc(OC)c1O)C2 ZINC000376749639 337040476 /nfs/dbraw/zinc/04/04/76/337040476.db2.gz HRDMMWVFURSBAQ-UHFFFAOYSA-N 0 1 315.369 2.804 20 10 DFCDMN COc1ccc2c(c1)OCCN(Cc1cccc(OC)c1O)C2 ZINC000376749639 337040477 /nfs/dbraw/zinc/04/04/77/337040477.db2.gz HRDMMWVFURSBAQ-UHFFFAOYSA-N 0 1 315.369 2.804 20 10 DFCDMN CCc1nnc([C@H]2CN([C@@H](CC)c3ccccc3O)CCO2)o1 ZINC000377669251 337057910 /nfs/dbraw/zinc/05/79/10/337057910.db2.gz DINLEWHDXMJCEF-DZGCQCFKSA-N 0 1 317.389 2.862 20 10 DFCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000378631932 337077081 /nfs/dbraw/zinc/07/70/81/337077081.db2.gz ITGHTHKHXANXQB-LBPRGKRZSA-N 0 1 314.769 2.955 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000175588617 337148201 /nfs/dbraw/zinc/14/82/01/337148201.db2.gz FKZCKUNFJZCNNU-LBPRGKRZSA-N 0 1 317.364 2.837 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000175588617 337148202 /nfs/dbraw/zinc/14/82/02/337148202.db2.gz FKZCKUNFJZCNNU-LBPRGKRZSA-N 0 1 317.364 2.837 20 10 DFCDMN O=C1NCCN(Cc2cccc(Cl)c2O)[C@H]1c1ccccc1 ZINC000179921529 337172545 /nfs/dbraw/zinc/17/25/45/337172545.db2.gz XMSBGHMVNNSMMN-HNNXBMFYSA-N 0 1 316.788 2.719 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230313521 337271332 /nfs/dbraw/zinc/27/13/32/337271332.db2.gz FTLXLNSFQBBJQW-OCCSQVGLSA-N 0 1 312.207 2.812 20 10 DFCDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191423021 337296843 /nfs/dbraw/zinc/29/68/43/337296843.db2.gz JKQNHDLOFYQQOL-AWEZNQCLSA-N 0 1 301.745 2.570 20 10 DFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000191449973 337297034 /nfs/dbraw/zinc/29/70/34/337297034.db2.gz VOWCVBZVEWPOQA-LLVKDONJSA-N 0 1 324.787 2.688 20 10 DFCDMN Cc1nc(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000127552089 337421362 /nfs/dbraw/zinc/42/13/62/337421362.db2.gz LLUQXGVQEAGAAK-UHFFFAOYSA-N 0 1 318.396 2.963 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249985712 337573057 /nfs/dbraw/zinc/57/30/57/337573057.db2.gz ZDEHUJCXSAKBMO-OUCADQQQSA-N 0 1 312.207 2.812 20 10 DFCDMN CC[C@@H]([NH2+]CC1CC(O)C1)c1cc(Br)ccc1[O-] ZINC000091525732 341426521 /nfs/dbraw/zinc/42/65/21/341426521.db2.gz KASAEUFLKPTEDQ-QEIKUCIBSA-N 0 1 314.223 2.966 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCn2ccnc2)c1[O-] ZINC000181086198 518280052 /nfs/dbraw/zinc/28/00/52/518280052.db2.gz NZJXJUSSVJUPEQ-UHFFFAOYSA-N 0 1 321.808 2.967 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000367445726 518287157 /nfs/dbraw/zinc/28/71/57/518287157.db2.gz AJJSJKAOUZPTQN-KRWDZBQOSA-N 0 1 307.365 2.736 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000367445726 518287161 /nfs/dbraw/zinc/28/71/61/518287161.db2.gz AJJSJKAOUZPTQN-KRWDZBQOSA-N 0 1 307.365 2.736 20 10 DFCDMN CCN(CC)c1ccc(CN2CCCC3(C2)OCCO3)cc1 ZINC000182080508 520891506 /nfs/dbraw/zinc/89/15/06/520891506.db2.gz FSBQYTCUKUSMIB-UHFFFAOYSA-N 0 1 304.434 2.872 20 10 DFCDMN CCN1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000191541867 521612426 /nfs/dbraw/zinc/61/24/26/521612426.db2.gz HOBMZHGPYLTMND-UHFFFAOYSA-N 0 1 315.461 2.731 20 10 DFCDMN COc1cc(O)c(CN2CCCC[C@@H]2c2cn[nH]c2)cc1OC ZINC000180262729 522773208 /nfs/dbraw/zinc/77/32/08/522773208.db2.gz SNHFMEXKVDPIAO-CQSZACIVSA-N 0 1 317.389 2.860 20 10 DFCDMN C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(Br)cc1[O-] ZINC000189322080 525503831 /nfs/dbraw/zinc/50/38/31/525503831.db2.gz VXNBFVKLCMMWKZ-SCVCMEIPSA-N 0 1 314.223 2.966 20 10 DFCDMN Oc1c(Cl)cccc1CN1CCN(CC(F)(F)F)CC1 ZINC000158023703 526325561 /nfs/dbraw/zinc/32/55/61/526325561.db2.gz ZMDXKKKOPDRGOS-UHFFFAOYSA-N 0 1 308.731 2.726 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCn1cccn1 ZINC000226036537 526341577 /nfs/dbraw/zinc/34/15/77/526341577.db2.gz CVSHHKWLHXWSGQ-UHFFFAOYSA-N 0 1 310.195 2.531 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126511337 526342434 /nfs/dbraw/zinc/34/24/34/526342434.db2.gz PUWLOCJUUSLQNH-FUNVUKJBSA-N 0 1 312.207 2.642 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126511337 526342442 /nfs/dbraw/zinc/34/24/42/526342442.db2.gz PUWLOCJUUSLQNH-FUNVUKJBSA-N 0 1 312.207 2.642 20 10 DFCDMN Oc1ccc(F)cc1CN1CCN(c2ccccc2O)CC1 ZINC000179869814 526348017 /nfs/dbraw/zinc/34/80/17/526348017.db2.gz IYMPGASPIPYQKP-UHFFFAOYSA-N 0 1 302.349 2.559 20 10 DFCDMN Cc1ncc(CN2CCN(Cc3cccc(C)c3O)CC2)s1 ZINC000180080808 527257863 /nfs/dbraw/zinc/25/78/63/527257863.db2.gz MDQCTNFRBYHCEZ-UHFFFAOYSA-N 0 1 317.458 2.783 20 10 DFCDMN CCN(CC)c1ccc(CNCc2cn3cccnc3n2)cc1 ZINC000298463386 535686538 /nfs/dbraw/zinc/68/65/38/535686538.db2.gz OKKAPFPBLWOKFG-UHFFFAOYSA-N 0 1 309.417 2.865 20 10 DFCDMN CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(Cl)c1[O-] ZINC000287896199 535910021 /nfs/dbraw/zinc/91/00/21/535910021.db2.gz ZHUOGXWZSJGPKZ-WFASDCNBSA-N 0 1 312.841 2.543 20 10 DFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCCCO1 ZINC000739793365 600316037 /nfs/dbraw/zinc/31/60/37/600316037.db2.gz GWHOGHXCFPXORH-CYBMUJFWSA-N 0 1 313.781 2.501 20 10 DFCDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000825263137 604024087 /nfs/dbraw/zinc/02/40/87/604024087.db2.gz FENQKWXOGPASRE-SWLSCSKDSA-N 0 1 318.417 2.749 20 10 DFCDMN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000289652889 283311195 /nfs/dbraw/zinc/31/11/95/283311195.db2.gz MVDBUJIBCMFGMM-ZDUSSCGKSA-N 0 1 310.825 2.926 20 10 DFCDMN CCCOc1ccc(CN2CCOC3(CCOCC3)C2)c(O)c1 ZINC000091895850 193123966 /nfs/dbraw/zinc/12/39/66/193123966.db2.gz WOPUXRKVKBVUIX-UHFFFAOYSA-N 0 1 321.417 2.562 20 10 DFCDMN Oc1cc2c(cc1CN1CCCC[C@@H]1c1cn[nH]c1)OCO2 ZINC000093438420 193253390 /nfs/dbraw/zinc/25/33/90/193253390.db2.gz AKEOFHZQDOOVFX-CYBMUJFWSA-N 0 1 301.346 2.571 20 10 DFCDMN CC[C@@H]([NH2+]CCN(C)C)c1cc(Br)ccc1[O-] ZINC000022222433 182313526 /nfs/dbraw/zinc/31/35/26/182313526.db2.gz QKMOHGYGWGYCPZ-GFCCVEGCSA-N 0 1 301.228 2.757 20 10 DFCDMN CC[C@H](C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106702842 194244867 /nfs/dbraw/zinc/24/48/67/194244867.db2.gz HKEXWRNWCHBHMG-AWEZNQCLSA-N 0 1 321.440 2.630 20 10 DFCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272231915 130011207 /nfs/dbraw/zinc/01/12/07/130011207.db2.gz FBCHNHHXGVILBT-CYBMUJFWSA-N 0 1 308.397 2.660 20 10 DFCDMN [O-]c1c(F)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000272373225 130024669 /nfs/dbraw/zinc/02/46/69/130024669.db2.gz GXOQCVVMBLJWAW-CXAGYDPISA-N 0 1 304.409 2.980 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000272373225 130024672 /nfs/dbraw/zinc/02/46/72/130024672.db2.gz GXOQCVVMBLJWAW-CXAGYDPISA-N 0 1 304.409 2.980 20 10 DFCDMN C[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1nncn1C ZINC000273558488 130136665 /nfs/dbraw/zinc/13/66/65/130136665.db2.gz HLMANNACZNDTDH-NWDGAFQWSA-N 0 1 300.406 2.811 20 10 DFCDMN C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273619956 130145536 /nfs/dbraw/zinc/14/55/36/130145536.db2.gz YSMNFKMOPASGQL-YVEFUNNKSA-N 0 1 311.385 2.663 20 10 DFCDMN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000286988594 131259193 /nfs/dbraw/zinc/25/91/93/131259193.db2.gz JLZLYFGIUJYSDK-UWVGGRQHSA-N 0 1 301.228 2.755 20 10 DFCDMN COc1ccc(O)c([C@@H](C)NCc2ncccc2N(C)C)c1 ZINC000289576706 131397142 /nfs/dbraw/zinc/39/71/42/131397142.db2.gz BGYJRGHYKSOFHI-GFCCVEGCSA-N 0 1 301.390 2.713 20 10 DFCDMN C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000219903238 542879164 /nfs/dbraw/zinc/87/91/64/542879164.db2.gz GXPPUODRLBCHTK-JOYOIKCWSA-N 0 1 300.196 2.812 20 10 DFCDMN OCC1CCN(c2ccc(CNCc3ccco3)cc2)CC1 ZINC000067247436 425909396 /nfs/dbraw/zinc/90/93/96/425909396.db2.gz LZFFSROKYRTVII-UHFFFAOYSA-N 0 1 300.402 2.778 20 10 DFCDMN COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1 ZINC000109772983 426032761 /nfs/dbraw/zinc/03/27/61/426032761.db2.gz ZEGXYCGBCPTIOG-ZDUSSCGKSA-N 0 1 314.385 2.860 20 10 DFCDMN C[C@H](C(=O)NCc1ccccc1F)N(C)Cc1ccccc1O ZINC000109773699 426032834 /nfs/dbraw/zinc/03/28/34/426032834.db2.gz YXUMGTQYKMYPCA-CYBMUJFWSA-N 0 1 316.376 2.668 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000074371275 426048026 /nfs/dbraw/zinc/04/80/26/426048026.db2.gz RFBLQIVHVSFNKX-DGCLKSJQSA-N 0 1 300.196 2.548 20 10 DFCDMN CC[N@H+](CCn1cccn1)Cc1cc(Br)ccc1[O-] ZINC000076118573 426100861 /nfs/dbraw/zinc/10/08/61/426100861.db2.gz SIXVIWWUWYEVEX-UHFFFAOYSA-N 0 1 324.222 2.873 20 10 DFCDMN CC[N@@H+](CCn1cccn1)Cc1cc(Br)ccc1[O-] ZINC000076118573 426100864 /nfs/dbraw/zinc/10/08/64/426100864.db2.gz SIXVIWWUWYEVEX-UHFFFAOYSA-N 0 1 324.222 2.873 20 10 DFCDMN Cc1cc(Cl)cc(CN2CCCN(C(=O)C3CC3)CC2)c1O ZINC000119113323 426263623 /nfs/dbraw/zinc/26/36/23/426263623.db2.gz LFIBZFPUFDCCHO-UHFFFAOYSA-N 0 1 322.836 2.798 20 10 DFCDMN CC[C@@H]([NH2+][C@H](C)CCO)c1cc(Br)ccc1[O-] ZINC000120628890 426313175 /nfs/dbraw/zinc/31/31/75/426313175.db2.gz JRRFQGDVYIFSSO-BXKDBHETSA-N 0 1 302.212 2.966 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCC(CO)CC2)c1[O-] ZINC000089923673 426317870 /nfs/dbraw/zinc/31/78/70/426317870.db2.gz LBDWHPHTJSEAJA-UHFFFAOYSA-N 0 1 309.381 2.717 20 10 DFCDMN Cc1ncsc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000121322158 426334209 /nfs/dbraw/zinc/33/42/09/426334209.db2.gz PUCJTENWJWACPQ-UHFFFAOYSA-N 0 1 317.458 2.920 20 10 DFCDMN CC[C@@](C)(NCc1cc2c(cc1O)OCO2)c1nccs1 ZINC000152645089 426348955 /nfs/dbraw/zinc/34/89/55/426348955.db2.gz BUQCVBFXNBQFMC-OAHLLOKOSA-N 0 1 306.387 2.992 20 10 DFCDMN CCN1CCN(c2ccc(CNc3ccccn3)cc2F)CC1 ZINC000264374738 426544158 /nfs/dbraw/zinc/54/41/58/426544158.db2.gz GYBAQHVXMJGDBX-UHFFFAOYSA-N 0 1 314.408 2.975 20 10 DFCDMN CC[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H](C)[S@]1=O ZINC000289667859 426670429 /nfs/dbraw/zinc/67/04/29/426670429.db2.gz NKKSHEGIRZHAAY-KFHAODIQSA-N 0 1 301.839 2.777 20 10 DFCDMN Cc1nn(C)c(C)c1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227442883 426626285 /nfs/dbraw/zinc/62/62/85/426626285.db2.gz ZOUCOQXLTKHODU-UHFFFAOYSA-N 0 1 324.222 2.795 20 10 DFCDMN Cc1n[nH]cc1CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227436876 426626315 /nfs/dbraw/zinc/62/63/15/426626315.db2.gz XMVLPDOTEBDSQY-UHFFFAOYSA-N 0 1 324.222 2.909 20 10 DFCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@H]1CCCO1 ZINC000227437289 426626742 /nfs/dbraw/zinc/62/67/42/426626742.db2.gz UBMCUENCELMYPY-TVQRCGJNSA-N 0 1 300.196 2.812 20 10 DFCDMN COc1ccc(O)c(CN2CCCC[C@H]2c2ccnn2C)c1 ZINC000281302020 426708524 /nfs/dbraw/zinc/70/85/24/426708524.db2.gz PVOVLTOODKXCSY-INIZCTEOSA-N 0 1 301.390 2.862 20 10 DFCDMN Cc1cc(Br)cc(CN(C)Cc2cnn(C)c2)c1O ZINC000179601673 426804681 /nfs/dbraw/zinc/80/46/81/426804681.db2.gz RHFNORVNXJQCSV-UHFFFAOYSA-N 0 1 324.222 2.829 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCOC[C@@H](C3CCC3)C2)c1O ZINC000292177445 427120195 /nfs/dbraw/zinc/12/01/95/427120195.db2.gz QCODZWBBMKEZRF-HNNXBMFYSA-N 0 1 321.392 2.982 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000292177445 427120204 /nfs/dbraw/zinc/12/02/04/427120204.db2.gz QCODZWBBMKEZRF-HNNXBMFYSA-N 0 1 321.392 2.982 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000292177445 427120212 /nfs/dbraw/zinc/12/02/12/427120212.db2.gz QCODZWBBMKEZRF-HNNXBMFYSA-N 0 1 321.392 2.982 20 10 DFCDMN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000284290950 427175294 /nfs/dbraw/zinc/17/52/94/427175294.db2.gz BBIRZBJDTOTJGU-CYBMUJFWSA-N 0 1 310.825 2.926 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000293094712 427215147 /nfs/dbraw/zinc/21/51/47/427215147.db2.gz PVPPPLHJSKVMFV-MRXNPFEDSA-N 0 1 309.381 2.621 20 10 DFCDMN Nc1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000296815818 427237872 /nfs/dbraw/zinc/23/78/72/427237872.db2.gz AGBHULZNFMUONG-SFHVURJKSA-N 0 1 309.413 2.550 20 10 DFCDMN CCc1noc(C)c1CNCc1cc(OC)c(OC)cc1O ZINC000293617385 427381989 /nfs/dbraw/zinc/38/19/89/427381989.db2.gz KLAAINJWPXDWJD-UHFFFAOYSA-N 0 1 306.362 2.558 20 10 DFCDMN COC1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCOC3)cc2)CC1 ZINC000297330307 427403107 /nfs/dbraw/zinc/40/31/07/427403107.db2.gz AERLFHWOBUIUAJ-QGZVFWFLSA-N 0 1 304.434 2.523 20 10 DFCDMN COC[C@H]1CCN1Cc1cc(Br)cc(C)c1O ZINC000293678774 427404167 /nfs/dbraw/zinc/40/41/67/427404167.db2.gz PNANYVADMRVCTJ-GFCCVEGCSA-N 0 1 300.196 2.684 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@H](NC(=O)C(C)(C)C)C2)cc1 ZINC000271155449 427419446 /nfs/dbraw/zinc/41/94/46/427419446.db2.gz MUCYEJDZFWLJAE-INIZCTEOSA-N 0 1 317.477 2.879 20 10 DFCDMN Cc1ccc(O)c(CN2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000191739541 427415181 /nfs/dbraw/zinc/41/51/81/427415181.db2.gz IFBVIQGSHRUYBW-HNNXBMFYSA-N 0 1 303.431 2.724 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278133648 427416985 /nfs/dbraw/zinc/41/69/85/427416985.db2.gz CMJIMQZBUISDBS-GXFFZTMASA-N 0 1 307.287 2.667 20 10 DFCDMN CCN(Cc1cnn(CCOC)c1)Cc1ccc(N(C)C)cc1 ZINC000271003445 427366669 /nfs/dbraw/zinc/36/66/69/427366669.db2.gz MMJWAVQXZDXUSD-UHFFFAOYSA-N 0 1 316.449 2.618 20 10 DFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000278223450 427425352 /nfs/dbraw/zinc/42/53/52/427425352.db2.gz LULJKRJZYPRMIU-JTQLQIEISA-N 0 1 314.407 2.882 20 10 DFCDMN COc1c([O-])c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278166039 427425481 /nfs/dbraw/zinc/42/54/81/427425481.db2.gz FEXZGDJMBXNNAX-ZJUUUORDSA-N 0 1 312.391 2.635 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278166039 427425484 /nfs/dbraw/zinc/42/54/84/427425484.db2.gz FEXZGDJMBXNNAX-ZJUUUORDSA-N 0 1 312.391 2.635 20 10 DFCDMN CCCCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(OC)c1O ZINC000184744252 427529705 /nfs/dbraw/zinc/52/97/05/427529705.db2.gz NZHGZFDGSNOLNF-UHFFFAOYSA-N 0 1 314.813 2.532 20 10 DFCDMN C[C@H]([NH2+]CCn1ccnc1)c1cc(Br)ccc1[O-] ZINC000184868298 427555583 /nfs/dbraw/zinc/55/55/83/427555583.db2.gz TVZNRSBWALKLLT-JTQLQIEISA-N 0 1 310.195 2.702 20 10 DFCDMN C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000184916905 427563380 /nfs/dbraw/zinc/56/33/80/427563380.db2.gz URMDJWUXEZABGW-JTQLQIEISA-N 0 1 308.765 2.719 20 10 DFCDMN C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000279128880 427567568 /nfs/dbraw/zinc/56/75/68/427567568.db2.gz QTXFKDWOOYGKAH-UWVGGRQHSA-N 0 1 302.212 2.966 20 10 DFCDMN C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(Br)cc1[O-] ZINC000279128882 427568453 /nfs/dbraw/zinc/56/84/53/427568453.db2.gz QTXFKDWOOYGKAH-VHSXEESVSA-N 0 1 302.212 2.966 20 10 DFCDMN COC(=O)c1coc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC000263821080 427580906 /nfs/dbraw/zinc/58/09/06/427580906.db2.gz UOXOOOFICXVSTG-UHFFFAOYSA-N 0 1 302.374 2.764 20 10 DFCDMN C[C@H]([NH2+]C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000185078903 427593712 /nfs/dbraw/zinc/59/37/12/427593712.db2.gz XGVMHLQOJHJVGR-VIFPVBQESA-N 0 1 300.196 2.984 20 10 DFCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@]2(CCOC2)O1 ZINC000294697163 427647366 /nfs/dbraw/zinc/64/73/66/427647366.db2.gz NWWKFEJDQFJNRZ-BMIGLBTASA-N 0 1 315.772 2.565 20 10 DFCDMN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185462800 427658303 /nfs/dbraw/zinc/65/83/03/427658303.db2.gz HLBRAUJNJZJGAG-ZANVPECISA-N 0 1 302.212 2.822 20 10 DFCDMN COc1cc(O)c(CNc2ccc3c(n2)CCC3)cc1OC ZINC000294808178 427660070 /nfs/dbraw/zinc/66/00/70/427660070.db2.gz JAXCNAGSSRBZNT-UHFFFAOYSA-N 0 1 300.358 2.905 20 10 DFCDMN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185656699 427685268 /nfs/dbraw/zinc/68/52/68/427685268.db2.gz CTQRJXGQCCNFRU-JOYOIKCWSA-N 0 1 302.212 2.822 20 10 DFCDMN CN(C)c1ccc(CN2CCC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000279606435 427712702 /nfs/dbraw/zinc/71/27/02/427712702.db2.gz IXJUTIOCFOZWPE-ZDUSSCGKSA-N 0 1 302.340 2.728 20 10 DFCDMN COc1cc(O)c(CN2CCO[C@H](C(C)(C)C)C2)cc1OC ZINC000279868012 427725076 /nfs/dbraw/zinc/72/50/76/427725076.db2.gz SXUJTZPGOBZDRO-INIZCTEOSA-N 0 1 309.406 2.656 20 10 DFCDMN COc1cc(O)c(CN2CCO[C@@H](C(C)(C)C)C2)cc1OC ZINC000279868015 427725705 /nfs/dbraw/zinc/72/57/05/427725705.db2.gz SXUJTZPGOBZDRO-MRXNPFEDSA-N 0 1 309.406 2.656 20 10 DFCDMN CC[C@@H]1CN(Cc2cc(F)ccc2O)C[C@]2(CCCOC2)O1 ZINC000369879108 428082158 /nfs/dbraw/zinc/08/21/58/428082158.db2.gz XCUIXCQLWAEMAZ-WBVHZDCISA-N 0 1 309.381 2.691 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H](CO)C2)c1[O-] ZINC000370207854 428157383 /nfs/dbraw/zinc/15/73/83/428157383.db2.gz NGKCNOFHUUEGPG-GFCCVEGCSA-N 0 1 311.809 2.843 20 10 DFCDMN Nc1nccc([C@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000377691103 428195195 /nfs/dbraw/zinc/19/51/95/428195195.db2.gz HGLUFBYUYQPGHN-NSHDSACASA-N 0 1 318.808 2.797 20 10 DFCDMN Nc1nccc([C@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000377691103 428195199 /nfs/dbraw/zinc/19/51/99/428195199.db2.gz HGLUFBYUYQPGHN-NSHDSACASA-N 0 1 318.808 2.797 20 10 DFCDMN Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])n1 ZINC000371415692 428387825 /nfs/dbraw/zinc/38/78/25/428387825.db2.gz CZXVORWVVQDOIO-HNNXBMFYSA-N 0 1 320.824 2.919 20 10 DFCDMN Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])n1 ZINC000371415692 428387829 /nfs/dbraw/zinc/38/78/29/428387829.db2.gz CZXVORWVVQDOIO-HNNXBMFYSA-N 0 1 320.824 2.919 20 10 DFCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000360669764 428393176 /nfs/dbraw/zinc/39/31/76/428393176.db2.gz FEPNJGJKZNFSOQ-KRWDZBQOSA-N 0 1 305.324 2.764 20 10 DFCDMN CCCC(=O)N1CCC[N@@H+](Cc2cccc(OCC)c2O)CC1 ZINC000372427022 428447170 /nfs/dbraw/zinc/44/71/70/428447170.db2.gz AKXWCBMAFPASAN-UHFFFAOYSA-N 0 1 320.433 2.625 20 10 DFCDMN COc1cc(O)c(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1OC ZINC000374251860 428669922 /nfs/dbraw/zinc/66/99/22/428669922.db2.gz ZUNNSDZFDOHJLM-UKRRQHHQSA-N 0 1 321.417 2.941 20 10 DFCDMN CN(C)c1ccc(C2=CCN([C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000374325657 428674077 /nfs/dbraw/zinc/67/40/77/428674077.db2.gz PVBVPMVUJXAPHT-LJQANCHMSA-N 0 1 321.424 2.678 20 10 DFCDMN COc1ccc(N2CCC(N(C)Cc3cc[nH]n3)CC2)cc1 ZINC000362388503 428728565 /nfs/dbraw/zinc/72/85/65/428728565.db2.gz FWFIBYXUEWKVRZ-UHFFFAOYSA-N 0 1 300.406 2.519 20 10 DFCDMN Oc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000374891936 428778209 /nfs/dbraw/zinc/77/82/09/428778209.db2.gz HDHGPBVRFXVORN-CJNGLKHVSA-N 0 1 305.324 2.978 20 10 DFCDMN Cc1cccc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000364074913 429167891 /nfs/dbraw/zinc/16/78/91/429167891.db2.gz UUEOLFNAGHWAQF-MRXNPFEDSA-N 0 1 302.418 2.678 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000367472803 429657179 /nfs/dbraw/zinc/65/71/79/429657179.db2.gz WBDMCTOLZXTBKM-CQSZACIVSA-N 0 1 315.417 2.904 20 10 DFCDMN CCc1noc([C@H]2C[C@H](O)CN2[C@H](CC)c2ccccc2O)n1 ZINC000368040704 429773595 /nfs/dbraw/zinc/77/35/95/429773595.db2.gz SMXAVGUJJPVHPZ-IACUBPJLSA-N 0 1 317.389 2.597 20 10 DFCDMN CC[C@@H](c1ccccc1O)N1CCc2ncnc(N(C)C)c2C1 ZINC000368824249 429896464 /nfs/dbraw/zinc/89/64/64/429896464.db2.gz KYFUEUUABITYOL-INIZCTEOSA-N 0 1 312.417 2.758 20 10 DFCDMN C[C@H]1CN(Cc2cc(Cl)ccc2O)CC2(CCOCC2)O1 ZINC000369128841 429914621 /nfs/dbraw/zinc/91/46/21/429914621.db2.gz YOINOWBUDWULBS-LBPRGKRZSA-N 0 1 311.809 2.816 20 10 DFCDMN COc1cccc(CN2CCOc3cc(O)ccc3C2)c1O ZINC000289857864 278010906 /nfs/dbraw/zinc/01/09/06/278010906.db2.gz VHQLVKKGEPCWPB-UHFFFAOYSA-N 0 1 301.342 2.501 20 10 DFCDMN CC(C)N(CC(=O)N(C)C1CC1)Cc1ccc(N(C)C)cc1 ZINC000299197970 279398611 /nfs/dbraw/zinc/39/86/11/279398611.db2.gz LBKJMBTUBCROSM-UHFFFAOYSA-N 0 1 303.450 2.584 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC2(CCOCC2)O1 ZINC000280444170 297031748 /nfs/dbraw/zinc/03/17/48/297031748.db2.gz KREGBCFSTXQKJO-GFCCVEGCSA-N 0 1 311.809 2.816 20 10 DFCDMN C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000278845512 332138009 /nfs/dbraw/zinc/13/80/09/332138009.db2.gz PZIQYDMIKZUEPW-VEVIJQCQSA-N 0 1 301.386 2.736 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293868419 335115549 /nfs/dbraw/zinc/11/55/49/335115549.db2.gz CLALQMKCMSSXHH-GFCCVEGCSA-N 0 1 300.196 2.502 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293868419 335115550 /nfs/dbraw/zinc/11/55/50/335115550.db2.gz CLALQMKCMSSXHH-GFCCVEGCSA-N 0 1 300.196 2.502 20 10 DFCDMN CC[C@H](c1ccccc1O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000368725635 333326589 /nfs/dbraw/zinc/32/65/89/333326589.db2.gz WXZSZJJLLKVLDL-WBVHZDCISA-N 0 1 301.390 2.650 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000368442568 336844799 /nfs/dbraw/zinc/84/47/99/336844799.db2.gz POKVZWFCVHBKEN-SNVBAGLBSA-N 0 1 312.207 2.623 20 10 DFCDMN O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1)N1CCCC1 ZINC000376006486 337025069 /nfs/dbraw/zinc/02/50/69/337025069.db2.gz ZAQBQPQEFMGZRC-DOMZBBRYSA-N 0 1 322.836 2.926 20 10 DFCDMN CC[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@]2(CCCOC2)O1 ZINC000376441113 337033529 /nfs/dbraw/zinc/03/35/29/337033529.db2.gz ITPTZICYBITODZ-YOEHRIQHSA-N 0 1 309.381 2.691 20 10 DFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000377216590 337048854 /nfs/dbraw/zinc/04/88/54/337048854.db2.gz VGLXIQKVXNGWRZ-CRAIPNDOSA-N 0 1 304.434 2.523 20 10 DFCDMN CCc1nnc([C@H]2CN([C@H](CC)c3ccccc3O)CCO2)o1 ZINC000377669253 337057936 /nfs/dbraw/zinc/05/79/36/337057936.db2.gz DINLEWHDXMJCEF-UKRRQHHQSA-N 0 1 317.389 2.862 20 10 DFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCn2ccnc2C1 ZINC000377858613 337062700 /nfs/dbraw/zinc/06/27/00/337062700.db2.gz AEVQPOMJWONOJB-LBPRGKRZSA-N 0 1 305.809 2.937 20 10 DFCDMN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000185994996 337252430 /nfs/dbraw/zinc/25/24/30/337252430.db2.gz JTMCYMXRGZEFJR-CMPLNLGQSA-N 0 1 320.824 2.865 20 10 DFCDMN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(Br)cc1[O-] ZINC000529646059 340766403 /nfs/dbraw/zinc/76/64/03/340766403.db2.gz WQWKBPTVRCLTLS-IINYFYTJSA-N 0 1 312.207 2.812 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000365110164 518279964 /nfs/dbraw/zinc/27/99/64/518279964.db2.gz PFYNYARZCRVIKT-INIZCTEOSA-N 0 1 309.793 2.595 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000365110164 518279966 /nfs/dbraw/zinc/27/99/66/518279966.db2.gz PFYNYARZCRVIKT-INIZCTEOSA-N 0 1 309.793 2.595 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000248034645 518286532 /nfs/dbraw/zinc/28/65/32/518286532.db2.gz RGGIDXCLQGTJDU-KBXCAEBGSA-N 0 1 321.392 2.861 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000248034645 518286539 /nfs/dbraw/zinc/28/65/39/518286539.db2.gz RGGIDXCLQGTJDU-KBXCAEBGSA-N 0 1 321.392 2.861 20 10 DFCDMN CCCNC(=O)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000158290160 519880726 /nfs/dbraw/zinc/88/07/26/519880726.db2.gz ZCWNKYVEABGMDB-CQSZACIVSA-N 0 1 321.440 2.993 20 10 DFCDMN CCN(CC)c1ccc(CNC(=O)c2[nH]nc(C)c2C)cc1F ZINC000265270575 520906092 /nfs/dbraw/zinc/90/60/92/520906092.db2.gz GMXYWRINBHQWDY-UHFFFAOYSA-N 0 1 318.396 2.942 20 10 DFCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CCCO1 ZINC000128024030 523171586 /nfs/dbraw/zinc/17/15/86/523171586.db2.gz NZQPEYFBKVSUKK-NSHDSACASA-N 0 1 300.742 2.565 20 10 DFCDMN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000191674862 523813475 /nfs/dbraw/zinc/81/34/75/523813475.db2.gz LJURSMHPGBNUJG-OSMZGAPFSA-N 0 1 309.793 2.819 20 10 DFCDMN C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(Br)cc1[O-] ZINC000189322010 525397048 /nfs/dbraw/zinc/39/70/48/525397048.db2.gz VXNBFVKLCMMWKZ-UMNHJUIQSA-N 0 1 314.223 2.966 20 10 DFCDMN NC(=O)[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000161995778 526999614 /nfs/dbraw/zinc/99/96/14/526999614.db2.gz QQOYNUDUFHJRPB-QGZVFWFLSA-N 0 1 301.434 2.517 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C(C)C)c1O ZINC000825946778 601418943 /nfs/dbraw/zinc/41/89/43/601418943.db2.gz PQZRHZXWILVYLV-UHFFFAOYSA-N 0 1 313.781 2.933 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C(C)C)c1O ZINC000825946778 601418944 /nfs/dbraw/zinc/41/89/44/601418944.db2.gz PQZRHZXWILVYLV-UHFFFAOYSA-N 0 1 313.781 2.933 20 10 DFCDMN O=C([O-])NC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000740643247 601915909 /nfs/dbraw/zinc/91/59/09/601915909.db2.gz ODRGYTYQQPUSEG-LBPRGKRZSA-N 0 1 300.358 2.635 20 10 DFCDMN C[C@H]1COCCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000828508300 604774025 /nfs/dbraw/zinc/77/40/25/604774025.db2.gz BCWMUOUQDLIAGP-LBPRGKRZSA-N 0 1 315.369 2.854 20 10 DFCDMN COc1ccc(O)c(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000833733927 605230449 /nfs/dbraw/zinc/23/04/49/605230449.db2.gz VZCCJRXRKFUXCS-UHFFFAOYSA-N 0 1 305.330 2.632 20 10 DFCDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000833835300 605499820 /nfs/dbraw/zinc/49/98/20/605499820.db2.gz XJDDCSPGSBRYKP-STQMWFEESA-N 0 1 318.417 2.749 20 10 DFCDMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000834110544 605562516 /nfs/dbraw/zinc/56/25/16/605562516.db2.gz XGWXXFVYGUMKBH-IUODEOHRSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000834110544 605562524 /nfs/dbraw/zinc/56/25/24/605562524.db2.gz XGWXXFVYGUMKBH-IUODEOHRSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000834110543 605562838 /nfs/dbraw/zinc/56/28/38/605562838.db2.gz XGWXXFVYGUMKBH-DOMZBBRYSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000834110543 605562843 /nfs/dbraw/zinc/56/28/43/605562843.db2.gz XGWXXFVYGUMKBH-DOMZBBRYSA-N 0 1 322.380 2.886 20 10 DFCDMN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000834106328 605563056 /nfs/dbraw/zinc/56/30/56/605563056.db2.gz JCQATXLTXJUFDK-DZGCQCFKSA-N 0 1 304.390 2.747 20 10 DFCDMN CCCN(Cc1c(C)nn(C)c1OC)Cc1ccccc1O ZINC000092705014 185334107 /nfs/dbraw/zinc/33/41/07/185334107.db2.gz POZYTYSXWATDNT-UHFFFAOYSA-N 0 1 303.406 2.855 20 10 DFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC[C@@H]1O ZINC000091898575 398548614 /nfs/dbraw/zinc/54/86/14/398548614.db2.gz LSOSWRCLWZBONI-MFKMUULPSA-N 0 1 314.223 2.748 20 10 DFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC[C@@H]1O ZINC000091898575 398548617 /nfs/dbraw/zinc/54/86/17/398548617.db2.gz LSOSWRCLWZBONI-MFKMUULPSA-N 0 1 314.223 2.748 20 10 DFCDMN c1nc2c(ncnc2N2CC=C(c3c[nH]c4ncccc34)CC2)[nH]1 ZINC000047510435 398751891 /nfs/dbraw/zinc/75/18/91/398751891.db2.gz NNEUIYWLOJTVSM-UHFFFAOYSA-N 0 1 317.356 2.523 20 10 DFCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H](C)N1CCOCC1 ZINC000185375706 296149586 /nfs/dbraw/zinc/14/95/86/296149586.db2.gz GIQHOBGYYKDGGP-FRRDWIJNSA-N 0 1 312.841 2.805 20 10 DFCDMN C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000273365830 130113226 /nfs/dbraw/zinc/11/32/26/130113226.db2.gz DZHUKWYLJTWMHZ-JTQLQIEISA-N 0 1 324.222 2.782 20 10 DFCDMN C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000273534368 130133614 /nfs/dbraw/zinc/13/36/14/130133614.db2.gz WYNSSHNOMZCHFM-SBMIAAHKSA-N 0 1 300.196 2.983 20 10 DFCDMN C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(Br)cc1[O-] ZINC000273534359 130134284 /nfs/dbraw/zinc/13/42/84/130134284.db2.gz WYNSSHNOMZCHFM-AUTRQRHGSA-N 0 1 300.196 2.983 20 10 DFCDMN C[C@H]([NH2+]CCC(C)(C)O)c1cc(Br)ccc1[O-] ZINC000274749031 130259867 /nfs/dbraw/zinc/25/98/67/130259867.db2.gz AHRUQGAAQRHAMP-VIFPVBQESA-N 0 1 302.212 2.966 20 10 DFCDMN CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000281302169 130851544 /nfs/dbraw/zinc/85/15/44/130851544.db2.gz YRLFDZSIOFOSIK-AAEUAGOBSA-N 0 1 310.825 2.955 20 10 DFCDMN CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1O ZINC000285510030 131175579 /nfs/dbraw/zinc/17/55/79/131175579.db2.gz AOQTUEGRVSBBQK-KRWDZBQOSA-N 0 1 323.456 2.600 20 10 DFCDMN CCc1nn(C)c(Cl)c1CNCc1cccc(OC)c1O ZINC000289452627 131387175 /nfs/dbraw/zinc/38/71/75/131387175.db2.gz NKCCHELFDKSXFN-UHFFFAOYSA-N 0 1 309.797 2.640 20 10 DFCDMN CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000297319172 132009269 /nfs/dbraw/zinc/00/92/69/132009269.db2.gz NFQGKOKENIRHMJ-OCCSQVGLSA-N 0 1 319.792 2.708 20 10 DFCDMN CN(C)[C@H](CNC(=O)NCc1ccccc1O)c1ccsc1 ZINC000299492340 132108222 /nfs/dbraw/zinc/10/82/22/132108222.db2.gz JXYWEBPAXICDNY-CQSZACIVSA-N 0 1 319.430 2.556 20 10 DFCDMN CC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C(C)(C)O ZINC000293001697 543018195 /nfs/dbraw/zinc/01/81/95/543018195.db2.gz NCIPIKZUUNFFQH-LBPRGKRZSA-N 0 1 302.212 2.794 20 10 DFCDMN C[C@@H](C(=O)NCc1ccccc1F)N(C)Cc1ccccc1O ZINC000109773698 426032748 /nfs/dbraw/zinc/03/27/48/426032748.db2.gz YXUMGTQYKMYPCA-ZDUSSCGKSA-N 0 1 316.376 2.668 20 10 DFCDMN CCCN(CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1O ZINC000114717528 426143897 /nfs/dbraw/zinc/14/38/97/426143897.db2.gz OISXGHMEJOJQFB-UHFFFAOYSA-N 0 1 316.405 2.583 20 10 DFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1nnc[nH]1 ZINC000174168774 426252102 /nfs/dbraw/zinc/25/21/02/426252102.db2.gz ROSXAKUAYWWQDJ-UHFFFAOYSA-N 0 1 315.402 2.546 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093819895 426357735 /nfs/dbraw/zinc/35/77/35/426357735.db2.gz WAVQRHRRZISOKT-AWEZNQCLSA-N 0 1 312.207 2.767 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000093819895 426357736 /nfs/dbraw/zinc/35/77/36/426357736.db2.gz WAVQRHRRZISOKT-AWEZNQCLSA-N 0 1 312.207 2.767 20 10 DFCDMN CC[C@@H]1CN(Cc2cccc(OC)c2O)CCN1CC(F)F ZINC000093767191 426358249 /nfs/dbraw/zinc/35/82/49/426358249.db2.gz RSXMHRHPFPEHRJ-CYBMUJFWSA-N 0 1 314.376 2.562 20 10 DFCDMN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186541142 426546649 /nfs/dbraw/zinc/54/66/49/426546649.db2.gz ZCKJIFACHFKIGM-KSRUKNBBSA-N 0 1 320.252 2.572 20 10 DFCDMN CCCOc1ccc(CN2CCO[C@@]3(CCCOC3)C2)c(O)c1 ZINC000289662662 426670258 /nfs/dbraw/zinc/67/02/58/426670258.db2.gz YRGPBNMGNYAENT-SFHVURJKSA-N 0 1 321.417 2.562 20 10 DFCDMN COCC1=CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000187622019 426678474 /nfs/dbraw/zinc/67/84/74/426678474.db2.gz UFMAYPPLIQMTJJ-UHFFFAOYSA-N 0 1 312.753 2.732 20 10 DFCDMN C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(Br)cc1[O-] ZINC000187680427 426684214 /nfs/dbraw/zinc/68/42/14/426684214.db2.gz PMUZILCAMUGSBK-CKLFPEKLSA-N 0 1 314.223 2.965 20 10 DFCDMN C[C@@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(Br)cc1[O-] ZINC000187680471 426684449 /nfs/dbraw/zinc/68/44/49/426684449.db2.gz PMUZILCAMUGSBK-JCOFBHIZSA-N 0 1 314.223 2.965 20 10 DFCDMN CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000290327988 426743008 /nfs/dbraw/zinc/74/30/08/426743008.db2.gz OTFBKNNWHPPQBK-JTQLQIEISA-N 0 1 305.827 2.519 20 10 DFCDMN C[N@@H+](CCCn1ccnc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290379315 426753950 /nfs/dbraw/zinc/75/39/50/426753950.db2.gz HYWJMIBHGNWGGC-UHFFFAOYSA-N 0 1 324.768 2.672 20 10 DFCDMN CCc1nc(CN2CCN(Cc3ccccc3O)CC2)cs1 ZINC000179563510 426802443 /nfs/dbraw/zinc/80/24/43/426802443.db2.gz IENIDIMGNWRRPZ-UHFFFAOYSA-N 0 1 317.458 2.729 20 10 DFCDMN CCCCN(CCS(=O)(=O)C(C)C)Cc1ccccc1O ZINC000282542288 426919658 /nfs/dbraw/zinc/91/96/58/426919658.db2.gz WDKJHLBIBGWCGP-UHFFFAOYSA-N 0 1 313.463 2.818 20 10 DFCDMN C[C@H]1CCCN(c2ccc(CNC(=O)CN(C)C)cc2Cl)C1 ZINC000282374221 426896246 /nfs/dbraw/zinc/89/62/46/426896246.db2.gz YITWCQZURADBJH-ZDUSSCGKSA-N 0 1 323.868 2.754 20 10 DFCDMN CC1(C)CN(Cc2cc(Br)ccc2O)CC[C@@H]1O ZINC000276011727 426966014 /nfs/dbraw/zinc/96/60/14/426966014.db2.gz PYXACGLDQRCGJD-ZDUSSCGKSA-N 0 1 314.223 2.748 20 10 DFCDMN CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295497214 426982836 /nfs/dbraw/zinc/98/28/36/426982836.db2.gz YBGJLGQBBUGNQT-LLVKDONJSA-N 0 1 300.805 2.958 20 10 DFCDMN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268720451 427101995 /nfs/dbraw/zinc/10/19/95/427101995.db2.gz KNTHWLYJIDDBAD-ZIAGYGMSSA-N 0 1 321.440 2.991 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183240118 427228266 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C[C@@]1(O)CCC[N@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000279704422 427716382 /nfs/dbraw/zinc/71/63/82/427716382.db2.gz ROZYFDCASKVEEA-CQSZACIVSA-N 0 1 314.223 2.892 20 10 DFCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000279704422 427716385 /nfs/dbraw/zinc/71/63/85/427716385.db2.gz ROZYFDCASKVEEA-CQSZACIVSA-N 0 1 314.223 2.892 20 10 DFCDMN C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000186088744 427746537 /nfs/dbraw/zinc/74/65/37/427746537.db2.gz KKHKBISWXWRNKK-TZMCWYRMSA-N 0 1 310.397 2.959 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1cc(Cl)ccc1[O-] ZINC000374503478 428687453 /nfs/dbraw/zinc/68/74/53/428687453.db2.gz IWAAEDAIZMEPKU-GDLCADMTSA-N 0 1 308.809 2.850 20 10 DFCDMN Nc1nccc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000375074413 428798166 /nfs/dbraw/zinc/79/81/66/428798166.db2.gz LTIODAXISCXSQB-LLVKDONJSA-N 0 1 318.808 2.797 20 10 DFCDMN CC(C)OC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000365358327 429306018 /nfs/dbraw/zinc/30/60/18/429306018.db2.gz 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ZINC000188826171 524032791 /nfs/dbraw/zinc/03/27/91/524032791.db2.gz DTZVJSPINRKSFY-GFCCVEGCSA-N 0 1 320.216 2.936 20 10 DFCDMN C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131036916 524673191 /nfs/dbraw/zinc/67/31/91/524673191.db2.gz WSYOWRGUROYKIP-NTCNTBNZSA-N 0 1 310.246 2.898 20 10 DFCDMN Cc1cc(Cl)cc(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000180406563 524866454 /nfs/dbraw/zinc/86/64/54/524866454.db2.gz KSGYRXBZKQUVGH-GFCCVEGCSA-N 0 1 309.715 2.853 20 10 DFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000180774037 526325638 /nfs/dbraw/zinc/32/56/38/526325638.db2.gz ITHBQIADGYSQGL-GFCCVEGCSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128534852 526363406 /nfs/dbraw/zinc/36/34/06/526363406.db2.gz RXRHTIWTJVGSIG-LBPRGKRZSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128534852 526363411 /nfs/dbraw/zinc/36/34/11/526363411.db2.gz RXRHTIWTJVGSIG-LBPRGKRZSA-N 0 1 306.797 2.549 20 10 DFCDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(=O)[nH]n2)cc1F ZINC000286290454 535686549 /nfs/dbraw/zinc/68/65/49/535686549.db2.gz WFKAXLAPUFSFRH-LBPRGKRZSA-N 0 1 318.396 2.606 20 10 DFCDMN CO[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737733356 599808285 /nfs/dbraw/zinc/80/82/85/599808285.db2.gz KIUFLEUJXKXYBR-ZDUSSCGKSA-N 0 1 315.369 2.854 20 10 DFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCCO1 ZINC000739793367 600315702 /nfs/dbraw/zinc/31/57/02/600315702.db2.gz GWHOGHXCFPXORH-ZDUSSCGKSA-N 0 1 313.781 2.501 20 10 DFCDMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000317690923 600703013 /nfs/dbraw/zinc/70/30/13/600703013.db2.gz JIBQOJGITOBSKD-ZDUSSCGKSA-N 0 1 317.410 2.938 20 10 DFCDMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000317690922 600703076 /nfs/dbraw/zinc/70/30/76/600703076.db2.gz JIBQOJGITOBSKD-CYBMUJFWSA-N 0 1 317.410 2.938 20 10 DFCDMN CN(C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)C(=O)[O-] ZINC000739634756 602861290 /nfs/dbraw/zinc/86/12/90/602861290.db2.gz APIRLCVRIUEQKV-CYBMUJFWSA-N 0 1 318.417 2.703 20 10 DFCDMN O=C([O-])NC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000834218033 605501522 /nfs/dbraw/zinc/50/15/22/605501522.db2.gz ZPEVLLKXYVCVMC-CYBMUJFWSA-N 0 1 318.417 2.751 20 10 DFCDMN O=C([O-])N[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000834189305 605569609 /nfs/dbraw/zinc/56/96/09/605569609.db2.gz JWUNSWWVJACBSM-INIZCTEOSA-N 0 1 312.369 2.901 20 10 DFCDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000833815462 605597004 /nfs/dbraw/zinc/59/70/04/605597004.db2.gz VPORNZRMADBFOW-UKRRQHHQSA-N 0 1 305.422 2.621 20 10 DFCDMN CC(C)C(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092104146 193159508 /nfs/dbraw/zinc/15/95/08/193159508.db2.gz HFMRZNCTOGVBBB-UHFFFAOYSA-N 0 1 319.232 2.903 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366811530 335019512 /nfs/dbraw/zinc/01/95/12/335019512.db2.gz RAPPCNYAZHFOEM-PBFPGSCMSA-N 0 1 309.381 2.690 20 10 DFCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000272256659 130013549 /nfs/dbraw/zinc/01/35/49/130013549.db2.gz JJXRGKRREOWHAU-MRXNPFEDSA-N 0 1 314.360 2.769 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000272297442 130016650 /nfs/dbraw/zinc/01/66/50/130016650.db2.gz PBHYXKDRBRNBTI-ZDUSSCGKSA-N 0 1 301.365 2.860 20 10 DFCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@@H](O)COCc1ccccc1 ZINC000272328373 130021458 /nfs/dbraw/zinc/02/14/58/130021458.db2.gz VREUESDNAUIQHN-MRXNPFEDSA-N 0 1 319.376 2.541 20 10 DFCDMN CCN(Cc1ccc(C(=O)OC)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000272752532 130059427 /nfs/dbraw/zinc/05/94/27/130059427.db2.gz NXMZTAXVUBQDOG-UHFFFAOYSA-N 0 1 315.417 2.889 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000273084318 130087964 /nfs/dbraw/zinc/08/79/64/130087964.db2.gz RJRPFOJUGUYMHQ-IRXDYDNUSA-N 0 1 307.365 2.781 20 10 DFCDMN C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000273081462 130088098 /nfs/dbraw/zinc/08/80/98/130088098.db2.gz MKVAHHOGPMEKOD-JTQLQIEISA-N 0 1 324.222 2.782 20 10 DFCDMN C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000273398303 130117511 /nfs/dbraw/zinc/11/75/11/130117511.db2.gz MKIDAIKDHGSKAE-VHSXEESVSA-N 0 1 300.196 2.842 20 10 DFCDMN C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000273420133 130118969 /nfs/dbraw/zinc/11/89/69/130118969.db2.gz RXSHNSVIDQQBMX-VHSXEESVSA-N 0 1 300.196 2.842 20 10 DFCDMN C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000273420131 130119769 /nfs/dbraw/zinc/11/97/69/130119769.db2.gz RXSHNSVIDQQBMX-UWVGGRQHSA-N 0 1 300.196 2.842 20 10 DFCDMN C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273619949 130145228 /nfs/dbraw/zinc/14/52/28/130145228.db2.gz YSMNFKMOPASGQL-SJCJKPOMSA-N 0 1 311.385 2.663 20 10 DFCDMN C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000273618414 130145727 /nfs/dbraw/zinc/14/57/27/130145727.db2.gz YIEJRTOAEFRRFN-UWVGGRQHSA-N 0 1 302.212 2.824 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274282448 130223793 /nfs/dbraw/zinc/22/37/93/130223793.db2.gz VPYGLLDUIWWLRG-UHFFFAOYSA-N 0 1 309.822 2.680 20 10 DFCDMN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000284174645 131055527 /nfs/dbraw/zinc/05/55/27/131055527.db2.gz FOIFYNUYVUKAJU-JVLSTEMRSA-N 0 1 315.841 2.854 20 10 DFCDMN CCOc1cccc(CN(CCOC)Cc2ccccn2)c1O ZINC000289380818 131381084 /nfs/dbraw/zinc/38/10/84/131381084.db2.gz BVCTXLPBGYCYTL-UHFFFAOYSA-N 0 1 316.401 2.835 20 10 DFCDMN CN(C)c1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1F ZINC000293028386 131701576 /nfs/dbraw/zinc/70/15/76/131701576.db2.gz PPZBNOAFCCLDTA-INIZCTEOSA-N 0 1 315.392 2.598 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[O-] ZINC000295851688 131924742 /nfs/dbraw/zinc/92/47/42/131924742.db2.gz DKLXRVFAWBWRBT-XKQJLSEDSA-N 0 1 319.376 2.781 20 10 DFCDMN CN(C)[C@H](CNC(=O)NCc1ccccc1O)c1cccs1 ZINC000299536817 132109924 /nfs/dbraw/zinc/10/99/24/132109924.db2.gz UJNLOGFVNJEUSH-CYBMUJFWSA-N 0 1 319.430 2.556 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1[O-] ZINC000102827310 425929584 /nfs/dbraw/zinc/92/95/84/425929584.db2.gz SNYVGSFHELLQTH-OAHLLOKOSA-N 0 1 322.836 2.918 20 10 DFCDMN CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109770529 426032559 /nfs/dbraw/zinc/03/25/59/426032559.db2.gz ODMVXFONCGUVSQ-ZDUSSCGKSA-N 0 1 316.405 2.629 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000113338341 426112786 /nfs/dbraw/zinc/11/27/86/426112786.db2.gz MVYXKCDLGBZINM-LBPRGKRZSA-N 0 1 318.808 2.594 20 10 DFCDMN CC[C@@H]([NH2+]C[C@H](C)CO)c1cc(Br)ccc1[O-] ZINC000086623139 426260042 /nfs/dbraw/zinc/26/00/42/426260042.db2.gz FYLGJASQQRIKTI-JOYOIKCWSA-N 0 1 302.212 2.824 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000092968192 426353487 /nfs/dbraw/zinc/35/34/87/426353487.db2.gz SLJUNSSIDOGBCX-OAHLLOKOSA-N 0 1 301.390 2.825 20 10 DFCDMN COc1ccc(N2CCN(CCCOC(C)C)CC2)cc1F ZINC000121995537 426356115 /nfs/dbraw/zinc/35/61/15/426356115.db2.gz AWLMHIZGNCOSSM-UHFFFAOYSA-N 0 1 310.413 2.771 20 10 DFCDMN CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093838867 426358469 /nfs/dbraw/zinc/35/84/69/426358469.db2.gz GPOFDWBUQYJREB-JTQLQIEISA-N 0 1 314.769 2.812 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000153116378 426371756 /nfs/dbraw/zinc/37/17/56/426371756.db2.gz QAWWIASHQGAKCI-GSJFWJNXSA-N 0 1 314.223 2.795 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H](C[NH+](C)C)C2)c1[O-] ZINC000177169855 426450055 /nfs/dbraw/zinc/45/00/55/426450055.db2.gz OOZSWQMCWUCLGZ-GFCCVEGCSA-N 0 1 310.825 2.632 20 10 DFCDMN CCN(Cc1cncn1C)Cc1cc(Br)ccc1O ZINC000177174681 426450277 /nfs/dbraw/zinc/45/02/77/426450277.db2.gz DGYDGDPVYNAHEH-UHFFFAOYSA-N 0 1 324.222 2.910 20 10 DFCDMN C[S@@](=O)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000154724591 426453413 /nfs/dbraw/zinc/45/34/13/426453413.db2.gz VRYKYYWXPDYIPQ-VGSWGCGISA-N 0 1 315.438 2.831 20 10 DFCDMN C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186541120 426546495 /nfs/dbraw/zinc/54/64/95/426546495.db2.gz ZCKJIFACHFKIGM-IRWWLHRVSA-N 0 1 320.252 2.572 20 10 DFCDMN C[C@H](C(=O)NCC1CCCCC1)N(C)Cc1ccccc1O ZINC000264610933 426575642 /nfs/dbraw/zinc/57/56/42/426575642.db2.gz NNVQBRMSUSBCIM-CQSZACIVSA-N 0 1 304.434 2.909 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000289639359 426671067 /nfs/dbraw/zinc/67/10/67/426671067.db2.gz PXKCCJIMFCIHOX-ZDUSSCGKSA-N 0 1 314.223 2.795 20 10 DFCDMN CN(C)C(C)(C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227434280 426626459 /nfs/dbraw/zinc/62/64/59/426626459.db2.gz RSNBHIBARLJLRI-UHFFFAOYSA-N 0 1 301.228 2.585 20 10 DFCDMN CCC(CC)(CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227211855 426626831 /nfs/dbraw/zinc/62/68/31/426626831.db2.gz BTRRNGVGCOHNTK-UHFFFAOYSA-N 0 1 302.212 2.795 20 10 DFCDMN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000247289461 426923723 /nfs/dbraw/zinc/92/37/23/426923723.db2.gz ZAXUPRYQGZNJCV-KZNAEPCWSA-N 0 1 304.434 2.521 20 10 DFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000282247143 426862659 /nfs/dbraw/zinc/86/26/59/426862659.db2.gz JJJGIZXKQJBZKC-JOYOIKCWSA-N 0 1 314.769 2.953 20 10 DFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000295323269 426907315 /nfs/dbraw/zinc/90/73/15/426907315.db2.gz LKYVZMPECANGHB-JTQLQIEISA-N 0 1 315.772 2.770 20 10 DFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248877448 427055600 /nfs/dbraw/zinc/05/56/00/427055600.db2.gz OGPNBQYAFKNPFL-ZIAGYGMSSA-N 0 1 315.772 2.565 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1[O-] ZINC000295851659 427017263 /nfs/dbraw/zinc/01/72/63/427017263.db2.gz DKLXRVFAWBWRBT-IAOVAPTHSA-N 0 1 319.376 2.781 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[O-] ZINC000292065974 427076783 /nfs/dbraw/zinc/07/67/83/427076783.db2.gz DCNOYOPVBOUOTL-QGZVFWFLSA-N 0 1 322.836 2.776 20 10 DFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1[O-] ZINC000292065974 427076787 /nfs/dbraw/zinc/07/67/87/427076787.db2.gz DCNOYOPVBOUOTL-QGZVFWFLSA-N 0 1 322.836 2.776 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000292877729 427204227 /nfs/dbraw/zinc/20/42/27/427204227.db2.gz XQYDHSMOTQPXPA-OAHLLOKOSA-N 0 1 307.365 2.613 20 10 DFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000292877729 427204236 /nfs/dbraw/zinc/20/42/36/427204236.db2.gz XQYDHSMOTQPXPA-OAHLLOKOSA-N 0 1 307.365 2.613 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+](CCO)C1CCCC1 ZINC000271030402 427380321 /nfs/dbraw/zinc/38/03/21/427380321.db2.gz YDVVZVFVQTZXMN-UHFFFAOYSA-N 0 1 314.223 2.892 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+](CCO)C1CCCC1 ZINC000271030402 427380326 /nfs/dbraw/zinc/38/03/26/427380326.db2.gz YDVVZVFVQTZXMN-UHFFFAOYSA-N 0 1 314.223 2.892 20 10 DFCDMN CC[C@]1(CO)CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000191956267 427453338 /nfs/dbraw/zinc/45/33/38/427453338.db2.gz HAQYBUKNJHWBBS-CQSZACIVSA-N 0 1 314.223 2.892 20 10 DFCDMN CC[C@]1(CO)CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000191956267 427453344 /nfs/dbraw/zinc/45/33/44/427453344.db2.gz HAQYBUKNJHWBBS-CQSZACIVSA-N 0 1 314.223 2.892 20 10 DFCDMN CC[C@]1(CO)CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000191956267 427453352 /nfs/dbraw/zinc/45/33/52/427453352.db2.gz HAQYBUKNJHWBBS-CQSZACIVSA-N 0 1 314.223 2.892 20 10 DFCDMN Cc1cc(Br)cc(CN2CC3(C2)CCOC3)c1O ZINC000293862120 427469650 /nfs/dbraw/zinc/46/96/50/427469650.db2.gz CBJYKULKPAYAPO-UHFFFAOYSA-N 0 1 312.207 2.685 20 10 DFCDMN CCCOc1ccc(CN[C@H](CCO)c2ccco2)c(O)c1 ZINC000184504087 427474904 /nfs/dbraw/zinc/47/49/04/427474904.db2.gz UYEPHIHLTKVXDA-OAHLLOKOSA-N 0 1 305.374 2.987 20 10 DFCDMN CN(C)c1ccc(CN2CCN(c3cncc(F)c3)CC2)cc1 ZINC000278851905 427476202 /nfs/dbraw/zinc/47/62/02/427476202.db2.gz MDSGDFHBMLEBAT-UHFFFAOYSA-N 0 1 314.408 2.609 20 10 DFCDMN COc1c([O-])c(C[N@@H+]2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278166027 427425330 /nfs/dbraw/zinc/42/53/30/427425330.db2.gz FEXZGDJMBXNNAX-NXEZZACHSA-N 0 1 312.391 2.635 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278166027 427425336 /nfs/dbraw/zinc/42/53/36/427425336.db2.gz FEXZGDJMBXNNAX-NXEZZACHSA-N 0 1 312.391 2.635 20 10 DFCDMN COc1c([O-])c(C[N@@H+](C)C(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278312212 427427459 /nfs/dbraw/zinc/42/74/59/427427459.db2.gz WWUDZYZYDKZXGP-UHFFFAOYSA-N 0 1 306.362 2.929 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CCS[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000278443820 427439981 /nfs/dbraw/zinc/43/99/81/427439981.db2.gz WLTMXQVULLRZII-SNVBAGLBSA-N 0 1 312.391 2.636 20 10 DFCDMN Cc1ccc(O)c([C@@H](C)NCc2nnc3n2CCCCC3)c1 ZINC000184877628 427556574 /nfs/dbraw/zinc/55/65/74/427556574.db2.gz VPBLLHWTUVMPRQ-CYBMUJFWSA-N 0 1 300.406 2.869 20 10 DFCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cn[nH]c1 ZINC000271537158 427574098 /nfs/dbraw/zinc/57/40/98/427574098.db2.gz QJPLXWNDCAEKFT-QWHCGFSZSA-N 0 1 318.396 2.797 20 10 DFCDMN COc1cc(O)c(CN2CCOCC23CCCC3)cc1OC ZINC000271896678 427591718 /nfs/dbraw/zinc/59/17/18/427591718.db2.gz YIYZUJHLBNXKND-UHFFFAOYSA-N 0 1 307.390 2.554 20 10 DFCDMN C[C@@H]([NH2+]CCCCCO)c1cc(Br)ccc1[O-] ZINC000192926121 427635435 /nfs/dbraw/zinc/63/54/35/427635435.db2.gz AVCFWNQGTZVPBX-SNVBAGLBSA-N 0 1 302.212 2.968 20 10 DFCDMN C[C@@H]([NH2+]CCCCCO)c1ccc(Br)cc1[O-] ZINC000192923791 427635847 /nfs/dbraw/zinc/63/58/47/427635847.db2.gz SROFLMXHHBJACQ-SNVBAGLBSA-N 0 1 302.212 2.968 20 10 DFCDMN Cc1ccccc1[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000294695776 427647558 /nfs/dbraw/zinc/64/75/58/427647558.db2.gz AOLHXHFXZIBWHW-QGZVFWFLSA-N 0 1 315.392 2.516 20 10 DFCDMN CC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185800831 427708160 /nfs/dbraw/zinc/70/81/60/427708160.db2.gz RNIHNSONVDLNEH-ONGXEEELSA-N 0 1 302.212 2.966 20 10 DFCDMN Cc1cc(Cl)cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000279717113 427715532 /nfs/dbraw/zinc/71/55/32/427715532.db2.gz UDFKIQSHPRNRJK-MLGOLLRUSA-N 0 1 311.809 2.734 20 10 DFCDMN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C2CC2)O1 ZINC000369527873 427987530 /nfs/dbraw/zinc/98/75/30/427987530.db2.gz POQBOBCTIZVDLK-BEFAXECRSA-N 0 1 316.445 2.523 20 10 DFCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cccc(F)c2[O-])C[C@@H](C)O1 ZINC000373112599 428516600 /nfs/dbraw/zinc/51/66/00/428516600.db2.gz MRZUVMBOUSMYPK-FMKPAKJESA-N 0 1 322.424 2.605 20 10 DFCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cccc(F)c2[O-])C[C@H](C)O1 ZINC000373112702 428518000 /nfs/dbraw/zinc/51/80/00/428518000.db2.gz MRZUVMBOUSMYPK-LZWOXQAQSA-N 0 1 322.424 2.605 20 10 DFCDMN Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC000373144207 428520796 /nfs/dbraw/zinc/52/07/96/428520796.db2.gz ZBEQUXDYZUIMAI-CQSZACIVSA-N 0 1 304.369 2.577 20 10 DFCDMN [O-]c1c(Cl)cccc1CN1CCC[N@H+](C2CCOCC2)CC1 ZINC000373217804 428523377 /nfs/dbraw/zinc/52/33/77/428523377.db2.gz RSIPTTJMJRABKD-UHFFFAOYSA-N 0 1 324.852 2.732 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]3OCC[C@H]32)c1[O-] ZINC000373487783 428589710 /nfs/dbraw/zinc/58/97/10/428589710.db2.gz XLTBVLKPKYBHME-DGCLKSJQSA-N 0 1 312.753 2.707 20 10 DFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000373493049 428591210 /nfs/dbraw/zinc/59/12/10/428591210.db2.gz GYZFOJKWPWWJFE-CJNGLKHVSA-N 0 1 311.809 2.816 20 10 DFCDMN Clc1ccc(C2=CCN(c3ncnc4[nH]cnc43)CC2)cn1 ZINC000362033827 428611235 /nfs/dbraw/zinc/61/12/35/428611235.db2.gz VVXNEKUTFWWSFK-UHFFFAOYSA-N 0 1 312.764 2.695 20 10 DFCDMN [O-]c1c(Cl)cccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362036118 428612728 /nfs/dbraw/zinc/61/27/28/428612728.db2.gz FKGLJJZWJROCQN-FMKPAKJESA-N 0 1 306.837 2.962 20 10 DFCDMN [O-]c1c(Cl)cccc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362036118 428612731 /nfs/dbraw/zinc/61/27/31/428612731.db2.gz FKGLJJZWJROCQN-FMKPAKJESA-N 0 1 306.837 2.962 20 10 DFCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000364663510 429245511 /nfs/dbraw/zinc/24/55/11/429245511.db2.gz VYDOKPSFAMLUTC-CQSZACIVSA-N 0 1 321.392 2.982 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCC([C@@H]3CCOC3)CC2)c1O ZINC000364663510 429245512 /nfs/dbraw/zinc/24/55/12/429245512.db2.gz VYDOKPSFAMLUTC-CQSZACIVSA-N 0 1 321.392 2.982 20 10 DFCDMN C[C@H]1OCC[C@@]12CN(Cc1cc(Cl)ccc1O)C[C@@H](C)O2 ZINC000365751451 429367462 /nfs/dbraw/zinc/36/74/62/429367462.db2.gz CETDPMYZDWRYQJ-XHBSWPGZSA-N 0 1 311.809 2.814 20 10 DFCDMN Cc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000366678191 429491779 /nfs/dbraw/zinc/49/17/79/429491779.db2.gz LSUIHSVRIZOJRA-CABZTGNLSA-N 0 1 306.797 2.611 20 10 DFCDMN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc(Cl)c1[O-] ZINC000367757470 429712425 /nfs/dbraw/zinc/71/24/25/429712425.db2.gz ZIDNTMSAUGGCSQ-VNQPRFMTSA-N 0 1 324.852 2.729 20 10 DFCDMN CC[C@H](c1ccccc1O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000368725633 429890456 /nfs/dbraw/zinc/89/04/56/429890456.db2.gz WXZSZJJLLKVLDL-NVXWUHKLSA-N 0 1 301.390 2.650 20 10 DFCDMN COCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000292707349 277196880 /nfs/dbraw/zinc/19/68/80/277196880.db2.gz CYHFPEAVIPGYEO-UHFFFAOYSA-N 0 1 302.758 2.811 20 10 DFCDMN O=C1CN(Cc2cccc(Cl)c2O)CN1CCC(F)(F)F ZINC000294722856 335128990 /nfs/dbraw/zinc/12/89/90/335128990.db2.gz CTSLQZCSQVARNX-UHFFFAOYSA-N 0 1 322.714 2.600 20 10 DFCDMN C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(Br)ccc1[O-] ZINC000296361802 335143929 /nfs/dbraw/zinc/14/39/29/335143929.db2.gz IVBJTMVVEOMCTI-UMNHJUIQSA-N 0 1 314.223 2.966 20 10 DFCDMN C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Cl)ccc1[O-] ZINC000273466067 334047593 /nfs/dbraw/zinc/04/75/93/334047593.db2.gz DSUXMUYFUPFTLH-LLVKDONJSA-N 0 1 300.855 2.745 20 10 DFCDMN C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc2ccccc2c1[O-] ZINC000282405837 334134449 /nfs/dbraw/zinc/13/44/49/334134449.db2.gz CACQGCZAKHJXLC-NEPJUHHUSA-N 0 1 304.365 2.670 20 10 DFCDMN Cn1cnnc1[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1O ZINC000295424447 334222894 /nfs/dbraw/zinc/22/28/94/334222894.db2.gz SMVGWXXEYDBUJO-LBPRGKRZSA-N 0 1 310.760 2.650 20 10 DFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(O)cccc1F ZINC000187488757 334263521 /nfs/dbraw/zinc/26/35/21/334263521.db2.gz CQLZGFVPWDMUIR-UHFFFAOYSA-N 0 1 316.332 2.637 20 10 DFCDMN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000352125772 336195794 /nfs/dbraw/zinc/19/57/94/336195794.db2.gz LPYDYJWBAZZYNU-QGZVFWFLSA-N 0 1 311.429 2.730 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Cl)ccc1[O-] ZINC000368331490 336842535 /nfs/dbraw/zinc/84/25/35/336842535.db2.gz JYISWNFWSIHGQV-BQSGVUBFSA-N 0 1 308.809 2.706 20 10 DFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1cc(Cl)ccc1[O-] ZINC000374503480 336990893 /nfs/dbraw/zinc/99/08/93/336990893.db2.gz IWAAEDAIZMEPKU-ZLKJLUDKSA-N 0 1 308.809 2.850 20 10 DFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@H](CO)C2)c1[O-] ZINC000377244467 337049234 /nfs/dbraw/zinc/04/92/34/337049234.db2.gz XHTLDBQMHUDHNW-JTQLQIEISA-N 0 1 314.769 2.548 20 10 DFCDMN CC[C@H](c1ccccc1O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000377659823 337057792 /nfs/dbraw/zinc/05/77/92/337057792.db2.gz QQUQRDHFYXLCFA-SJLPKXTDSA-N 0 1 310.397 2.928 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000378099600 337066450 /nfs/dbraw/zinc/06/64/50/337066450.db2.gz DYBFPHAGENJAGE-GFCCVEGCSA-N 0 1 322.206 2.525 20 10 DFCDMN CC[C@H](NCc1nnc2n1CCCCC2)c1ccccc1O ZINC000183315218 337192844 /nfs/dbraw/zinc/19/28/44/337192844.db2.gz CIMXDHORYFWAQB-AWEZNQCLSA-N 0 1 300.406 2.951 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1CCOCC1 ZINC000227442762 337205176 /nfs/dbraw/zinc/20/51/76/337205176.db2.gz DQXCTNPDKILIFI-UHFFFAOYSA-N 0 1 300.196 2.671 20 10 DFCDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000185585580 337249115 /nfs/dbraw/zinc/24/91/15/337249115.db2.gz RANAGQZVLKQRHW-VXGBXAGGSA-N 0 1 316.405 2.740 20 10 DFCDMN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000185995037 337252507 /nfs/dbraw/zinc/25/25/07/337252507.db2.gz JTMCYMXRGZEFJR-ZYHUDNBSSA-N 0 1 320.824 2.865 20 10 DFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190338823 337286830 /nfs/dbraw/zinc/28/68/30/337286830.db2.gz ZDEHUJCXSAKBMO-YRGRVCCFSA-N 0 1 312.207 2.812 20 10 DFCDMN CN(C)c1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000182095853 522212262 /nfs/dbraw/zinc/21/22/62/522212262.db2.gz NCVVTQHPIBGOTO-AVRDEDQJSA-N 0 1 316.470 2.962 20 10 DFCDMN COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000191674880 523999091 /nfs/dbraw/zinc/99/90/91/523999091.db2.gz LJURSMHPGBNUJG-SCDSUCTJSA-N 0 1 309.793 2.819 20 10 DFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000132115922 526364956 /nfs/dbraw/zinc/36/49/56/526364956.db2.gz NTUZZNVZDPHJCE-QGZVFWFLSA-N 0 1 303.789 2.969 20 10 DFCDMN Cc1nnc2n1CCC[C@H]2NCc1c(O)ccc(Cl)c1F ZINC000365144994 526417390 /nfs/dbraw/zinc/41/73/90/526417390.db2.gz HOGMGNWLQPZSCY-LLVKDONJSA-N 0 1 310.760 2.709 20 10 DFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000158111250 526892189 /nfs/dbraw/zinc/89/21/89/526892189.db2.gz UXIYZPIZDBYOBR-OAHLLOKOSA-N 0 1 322.836 2.926 20 10 DFCDMN CCCN(Cc1ccccc1O)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000297582404 528147299 /nfs/dbraw/zinc/14/72/99/528147299.db2.gz DPYLIBNDXAINHG-MRXNPFEDSA-N 0 1 321.417 2.715 20 10 DFCDMN CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000284522121 536624047 /nfs/dbraw/zinc/62/40/47/536624047.db2.gz DXFDLVMSOCDZAS-FVQBIDKESA-N 0 1 309.381 2.547 20 10 DFCDMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC000737448592 600143139 /nfs/dbraw/zinc/14/31/39/600143139.db2.gz FANHOUIVBMMQHF-UHFFFAOYSA-N 0 1 301.342 2.601 20 10 DFCDMN C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1C(=O)[O-] ZINC000828457344 601820454 /nfs/dbraw/zinc/82/04/54/601820454.db2.gz STALUFWGYUATAC-MFKMUULPSA-N 0 1 307.390 2.548 20 10 DFCDMN COc1ccc2ccc(O)c(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)c2c1 ZINC000832504413 601892541 /nfs/dbraw/zinc/89/25/41/601892541.db2.gz NSBVQRABPTYXEQ-SFHVURJKSA-N 0 1 315.369 2.851 20 10 DFCDMN CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000828028866 601895407 /nfs/dbraw/zinc/89/54/07/601895407.db2.gz FYENMUAEBGOUPU-QGZVFWFLSA-N 0 1 307.390 2.692 20 10 DFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1C ZINC000830121502 604023157 /nfs/dbraw/zinc/02/31/57/604023157.db2.gz CSJXTUGVXUCCEC-KGLIPLIRSA-N 0 1 306.406 2.877 20 10 DFCDMN COc1cccc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c1O ZINC000320616445 604673400 /nfs/dbraw/zinc/67/34/00/604673400.db2.gz ACDQRDBDIBJLBJ-INIZCTEOSA-N 0 1 313.353 2.585 20 10 DFCDMN CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092437787 185318388 /nfs/dbraw/zinc/31/83/88/185318388.db2.gz UPUMQRZHGUKOLM-UHFFFAOYSA-N 0 1 324.768 2.709 20 10 DFCDMN CCN(CC)c1ccc(CNc2ncnc3[nH]cnc32)cc1F ZINC000066859949 398404037 /nfs/dbraw/zinc/40/40/37/398404037.db2.gz CNBIRGPVMSHANE-UHFFFAOYSA-N 0 1 314.368 2.950 20 10 DFCDMN C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290207621 291058314 /nfs/dbraw/zinc/05/83/14/291058314.db2.gz QCZNMLCFWTZCLT-UWVGGRQHSA-N 0 1 314.769 2.547 20 10 DFCDMN CCN(CC)c1ccc(CN2CCOC3(CCOCC3)C2)cc1 ZINC000091896163 193124280 /nfs/dbraw/zinc/12/42/80/193124280.db2.gz ICZZAUQZSBNQPM-UHFFFAOYSA-N 0 1 318.461 2.914 20 10 DFCDMN C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cccc(F)c1[O-])C[C@H](C)O2 ZINC000366811529 335019379 /nfs/dbraw/zinc/01/93/79/335019379.db2.gz RAPPCNYAZHFOEM-IIYDPXPESA-N 0 1 309.381 2.690 20 10 DFCDMN CC[C@@H](CO)[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000020195317 182196149 /nfs/dbraw/zinc/19/61/49/182196149.db2.gz HIAQWZKKBXSANA-JQWIXIFHSA-N 0 1 302.212 2.966 20 10 DFCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000180250068 285105486 /nfs/dbraw/zinc/10/54/86/285105486.db2.gz UEDVRIAHSKYBAW-NSHDSACASA-N 0 1 319.854 2.691 20 10 DFCDMN C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000273514973 130130264 /nfs/dbraw/zinc/13/02/64/130130264.db2.gz SJQYMXAAXDXSTK-ACJLOTCBSA-N 0 1 315.413 2.984 20 10 DFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)[C@@]12CCCO2 ZINC000273662456 130150877 /nfs/dbraw/zinc/15/08/77/130150877.db2.gz YEFDCZCVWPETBP-XHSDSOJGSA-N 0 1 311.809 2.862 20 10 DFCDMN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000293049092 543019356 /nfs/dbraw/zinc/01/93/56/543019356.db2.gz RIFFAKLBZYXQEB-YGRLFVJLSA-N 0 1 314.223 2.795 20 10 DFCDMN CCCN(CC(=O)Nc1nccs1)Cc1ccccc1O ZINC000068973686 425925187 /nfs/dbraw/zinc/92/51/87/425925187.db2.gz YVPUOFMPOYBLLL-UHFFFAOYSA-N 0 1 305.403 2.699 20 10 DFCDMN C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000038047180 425850492 /nfs/dbraw/zinc/85/04/92/425850492.db2.gz NNMHZCHQKAIEOO-LBPRGKRZSA-N 0 1 307.415 2.631 20 10 DFCDMN COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1 ZINC000109772986 426033044 /nfs/dbraw/zinc/03/30/44/426033044.db2.gz ZEGXYCGBCPTIOG-CYBMUJFWSA-N 0 1 314.385 2.860 20 10 DFCDMN CC[C@H](O)C[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000076118451 426100244 /nfs/dbraw/zinc/10/02/44/426100244.db2.gz CZKGJTVSDUGLPK-LBPRGKRZSA-N 0 1 302.212 2.748 20 10 DFCDMN CC[C@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000076118451 426100248 /nfs/dbraw/zinc/10/02/48/426100248.db2.gz CZKGJTVSDUGLPK-LBPRGKRZSA-N 0 1 302.212 2.748 20 10 DFCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cncs1 ZINC000165178880 426120500 /nfs/dbraw/zinc/12/05/00/426120500.db2.gz CONQNYXFHKGBSD-LBPRGKRZSA-N 0 1 321.421 2.970 20 10 DFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCCO1 ZINC000132960910 426171989 /nfs/dbraw/zinc/17/19/89/426171989.db2.gz LLYCJPGLFMXQFC-GFCCVEGCSA-N 0 1 300.196 2.766 20 10 DFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCCO1 ZINC000132960910 426171991 /nfs/dbraw/zinc/17/19/91/426171991.db2.gz LLYCJPGLFMXQFC-GFCCVEGCSA-N 0 1 300.196 2.766 20 10 DFCDMN C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1ccccc1O ZINC000121136797 426321892 /nfs/dbraw/zinc/32/18/92/426321892.db2.gz OGEDUUVCJGASBK-HNNXBMFYSA-N 0 1 324.424 2.797 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070159 426346444 /nfs/dbraw/zinc/34/64/44/426346444.db2.gz FBDJFZWCGTVXCM-LBPRGKRZSA-N 0 1 306.797 2.549 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070159 426346446 /nfs/dbraw/zinc/34/64/46/426346446.db2.gz FBDJFZWCGTVXCM-LBPRGKRZSA-N 0 1 306.797 2.549 20 10 DFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(C)CC1 ZINC000121679025 426350825 /nfs/dbraw/zinc/35/08/25/426350825.db2.gz FKFPPDJCZFEORF-UHFFFAOYSA-N 0 1 317.458 2.933 20 10 DFCDMN Oc1cc2c(cc1CN1CCN(c3cccs3)CC1)OCO2 ZINC000121719309 426352485 /nfs/dbraw/zinc/35/24/85/426352485.db2.gz IGFMDACIUMVNJM-UHFFFAOYSA-N 0 1 318.398 2.505 20 10 DFCDMN CC(C)(NCc1ccccc1O)c1cn(-c2ccccc2)nn1 ZINC000154055156 426422288 /nfs/dbraw/zinc/42/22/88/426422288.db2.gz HDEJPRQXUBMHBC-UHFFFAOYSA-N 0 1 308.385 2.998 20 10 DFCDMN CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000280192045 426517034 /nfs/dbraw/zinc/51/70/34/426517034.db2.gz HKUNLOQAHYNKHH-APWZRJJASA-N 0 1 318.461 2.913 20 10 DFCDMN CCN(CC)c1ccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000280192045 426517037 /nfs/dbraw/zinc/51/70/37/426517037.db2.gz HKUNLOQAHYNKHH-APWZRJJASA-N 0 1 318.461 2.913 20 10 DFCDMN Cc1ccc([C@H](N)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000280501656 426586347 /nfs/dbraw/zinc/58/63/47/426586347.db2.gz DWUVUAVHOPCZFQ-IBGZPJMESA-N 0 1 323.440 2.694 20 10 DFCDMN CCN(CC)c1ccc(CN2CCO[C@@]3(CCOC3)C2)cc1 ZINC000187545193 426668651 /nfs/dbraw/zinc/66/86/51/426668651.db2.gz GFBRSEQDIUWAAZ-SFHVURJKSA-N 0 1 304.434 2.524 20 10 DFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000289960375 426677706 /nfs/dbraw/zinc/67/77/06/426677706.db2.gz ZBXAOZXPPJLFRA-QWRGUYRKSA-N 0 1 307.287 2.524 20 10 DFCDMN COc1cccc(CN2CCCC[C@@H]2c2ccnn2C)c1O ZINC000281197259 426704336 /nfs/dbraw/zinc/70/43/36/426704336.db2.gz ITQQDZXRFNZZCA-OAHLLOKOSA-N 0 1 301.390 2.862 20 10 DFCDMN COc1ccc(O)c([C@H](C)NCc2ccc(OC)nc2OC)c1 ZINC000290170993 426708494 /nfs/dbraw/zinc/70/84/94/426708494.db2.gz MRGROLTXHXNILT-NSHDSACASA-N 0 1 318.373 2.664 20 10 DFCDMN Oc1ccccc1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000179586521 426805400 /nfs/dbraw/zinc/80/54/00/426805400.db2.gz ZKTYENABPWFFEU-HKUYNNGSSA-N 0 1 313.397 2.717 20 10 DFCDMN CCOCc1nc([C@@H](C)NCc2cccc(Cl)c2O)no1 ZINC000290821395 426847723 /nfs/dbraw/zinc/84/77/23/426847723.db2.gz GVMFSSLWLZIOQZ-SECBINFHSA-N 0 1 311.769 2.816 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H](C)O)c1[O-] ZINC000267393835 426878973 /nfs/dbraw/zinc/87/89/73/426878973.db2.gz PKBVSDYEJJIZDM-XHDPSFHLSA-N 0 1 311.809 2.984 20 10 DFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)c1[O-] ZINC000267393835 426878980 /nfs/dbraw/zinc/87/89/80/426878980.db2.gz PKBVSDYEJJIZDM-XHDPSFHLSA-N 0 1 311.809 2.984 20 10 DFCDMN COc1cccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000291178371 426881617 /nfs/dbraw/zinc/88/16/17/426881617.db2.gz FKMPFPXEWGTJEB-IBGZPJMESA-N 0 1 313.397 2.537 20 10 DFCDMN COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000291506143 426900331 /nfs/dbraw/zinc/90/03/31/426900331.db2.gz HUEDDROTKADDAH-HNNXBMFYSA-N 0 1 306.362 2.929 20 10 DFCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000291506143 426900335 /nfs/dbraw/zinc/90/03/35/426900335.db2.gz HUEDDROTKADDAH-HNNXBMFYSA-N 0 1 306.362 2.929 20 10 DFCDMN CNC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000292008476 427055757 /nfs/dbraw/zinc/05/57/57/427055757.db2.gz YLFNVCQBKAVERC-STQMWFEESA-N 0 1 307.413 2.601 20 10 DFCDMN C[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ncnn1C ZINC000276698627 427119077 /nfs/dbraw/zinc/11/90/77/427119077.db2.gz VNQUNVQCPZLWCY-NWDGAFQWSA-N 0 1 300.406 2.811 20 10 DFCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)n[nH]1 ZINC000276865668 427125857 /nfs/dbraw/zinc/12/58/57/427125857.db2.gz GRAFAGLBGRHQKW-WPRPVWTQSA-N 0 1 318.377 2.529 20 10 DFCDMN COc1cc(Cl)cc(CN2CCc3cc[nH]c(=O)c3C2)c1O ZINC000276982917 427132044 /nfs/dbraw/zinc/13/20/44/427132044.db2.gz FQNPHXNWYFYXSL-UHFFFAOYSA-N 0 1 320.776 2.713 20 10 DFCDMN CC[C@H](C)c1nc([C@H](C)NCc2cc(OC)ccc2O)n[nH]1 ZINC000277338053 427170686 /nfs/dbraw/zinc/17/06/86/427170686.db2.gz UVLOTMDADSIXBW-QWRGUYRKSA-N 0 1 304.394 2.883 20 10 DFCDMN CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000277511726 427226286 /nfs/dbraw/zinc/22/62/86/427226286.db2.gz WLXDSULEEUAGSY-NXEZZACHSA-N 0 1 319.365 2.783 20 10 DFCDMN CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000297319175 427400068 /nfs/dbraw/zinc/40/00/68/427400068.db2.gz NFQGKOKENIRHMJ-TZMCWYRMSA-N 0 1 319.792 2.708 20 10 DFCDMN Cc1cccc(CN2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191734953 427416340 /nfs/dbraw/zinc/41/63/40/427416340.db2.gz KSCJRCDKNCGDGS-HNNXBMFYSA-N 0 1 303.431 2.724 20 10 DFCDMN COc1c(O)c(C[N@@H+](C)[C@@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000278508632 427441900 /nfs/dbraw/zinc/44/19/00/427441900.db2.gz PKFVHGNIHKYFNA-NSHDSACASA-N 0 1 317.345 2.897 20 10 DFCDMN COc1c([O-])c(C[N@H+](C)[C@@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000278508632 427441905 /nfs/dbraw/zinc/44/19/05/427441905.db2.gz PKFVHGNIHKYFNA-NSHDSACASA-N 0 1 317.345 2.897 20 10 DFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000278508632 427441909 /nfs/dbraw/zinc/44/19/09/427441909.db2.gz PKFVHGNIHKYFNA-NSHDSACASA-N 0 1 317.345 2.897 20 10 DFCDMN COc1c([O-])c(C[NH2+][C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278945981 427510342 /nfs/dbraw/zinc/51/03/42/427510342.db2.gz YODPTPQCXJOLCF-JTQLQIEISA-N 0 1 303.318 2.555 20 10 DFCDMN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000184850368 427551046 /nfs/dbraw/zinc/55/10/46/427551046.db2.gz QIAYRNHBZVGAAE-KOLCDFICSA-N 0 1 300.196 2.984 20 10 DFCDMN C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000185113377 427595589 /nfs/dbraw/zinc/59/55/89/427595589.db2.gz GUIAYHUADYACML-SECBINFHSA-N 0 1 310.195 2.739 20 10 DFCDMN COC1CCN(c2ccc(CN3[C@H](C)COC[C@@H]3C)cc2)CC1 ZINC000294928864 427665337 /nfs/dbraw/zinc/66/53/37/427665337.db2.gz IWVUGRLTKGVKNX-IYBDPMFKSA-N 0 1 318.461 2.911 20 10 DFCDMN CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185376981 427643707 /nfs/dbraw/zinc/64/37/07/427643707.db2.gz DVRHLNJMEWASEW-NSHDSACASA-N 0 1 310.825 2.955 20 10 DFCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000294697179 427648626 /nfs/dbraw/zinc/64/86/26/427648626.db2.gz NWWKFEJDQFJNRZ-MEBBXXQBSA-N 0 1 315.772 2.565 20 10 DFCDMN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185657043 427684923 /nfs/dbraw/zinc/68/49/23/427684923.db2.gz MOBJBTOKNGYJOO-JOYOIKCWSA-N 0 1 302.212 2.822 20 10 DFCDMN CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(OC)ccc1O ZINC000185866493 427721320 /nfs/dbraw/zinc/72/13/20/427721320.db2.gz ISSNFVMXCWHHHZ-LLVKDONJSA-N 0 1 319.405 2.556 20 10 DFCDMN CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(F)ccc1O ZINC000185867128 427721550 /nfs/dbraw/zinc/72/15/50/427721550.db2.gz AOSXXKWPWHYUQC-JTQLQIEISA-N 0 1 307.369 2.687 20 10 DFCDMN CC[C@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185802258 427707584 /nfs/dbraw/zinc/70/75/84/427707584.db2.gz QDDWMHHEMIYVQC-KOLCDFICSA-N 0 1 302.212 2.966 20 10 DFCDMN C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000186027615 427741426 /nfs/dbraw/zinc/74/14/26/427741426.db2.gz GTVYCRMUQZVZHX-SNVBAGLBSA-N 0 1 319.854 2.910 20 10 DFCDMN CC1(C)CN(Cc2cc(Cl)ccc2O)C[C@@]2(CCOC2)O1 ZINC000369546346 427996001 /nfs/dbraw/zinc/99/60/01/427996001.db2.gz OGYOOOJIIVWVHZ-MRXNPFEDSA-N 0 1 311.809 2.816 20 10 DFCDMN CC1(C)C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000369546346 427996005 /nfs/dbraw/zinc/99/60/05/427996005.db2.gz OGYOOOJIIVWVHZ-MRXNPFEDSA-N 0 1 311.809 2.816 20 10 DFCDMN CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000369546346 427996010 /nfs/dbraw/zinc/99/60/10/427996010.db2.gz OGYOOOJIIVWVHZ-MRXNPFEDSA-N 0 1 311.809 2.816 20 10 DFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000370080123 428127885 /nfs/dbraw/zinc/12/78/85/428127885.db2.gz DKWJEQAKXPGWAN-UHFFFAOYSA-N 0 1 318.808 2.594 20 10 DFCDMN CC(=O)c1cc(F)cc(CN2CCCO[C@H]3CCC[C@H]32)c1O ZINC000370170915 428148658 /nfs/dbraw/zinc/14/86/58/428148658.db2.gz VWUYHYSMWGKYRX-CVEARBPZSA-N 0 1 307.365 2.877 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000372399945 428440152 /nfs/dbraw/zinc/44/01/52/428440152.db2.gz YTQZDOKHQPYDLN-LLVKDONJSA-N 0 1 314.223 2.749 20 10 DFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000372399945 428440156 /nfs/dbraw/zinc/44/01/56/428440156.db2.gz YTQZDOKHQPYDLN-LLVKDONJSA-N 0 1 314.223 2.749 20 10 DFCDMN CCOC(=O)c1ccc(CNCc2ccc3c(c2)CCN3C)o1 ZINC000372411843 428444407 /nfs/dbraw/zinc/44/44/07/428444407.db2.gz KCCSWKFHHQDKCD-UHFFFAOYSA-N 0 1 314.385 2.738 20 10 DFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCc2nccn2C1 ZINC000372544731 428460474 /nfs/dbraw/zinc/46/04/74/428460474.db2.gz LYORPGCPJBSTLW-LBPRGKRZSA-N 0 1 305.809 2.937 20 10 DFCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000373227917 428523876 /nfs/dbraw/zinc/52/38/76/428523876.db2.gz KXHJOESJYLTJNU-AWEZNQCLSA-N 0 1 315.417 2.904 20 10 DFCDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373568554 428608327 /nfs/dbraw/zinc/60/83/27/428608327.db2.gz MYEMCMZJXLVTEQ-UHFFFAOYSA-N 0 1 312.417 2.764 20 10 DFCDMN C[C@@H](C(=O)NC(C)(C)C)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374325624 428675014 /nfs/dbraw/zinc/67/50/14/428675014.db2.gz PKIMEMVSVRUNRL-AWEZNQCLSA-N 0 1 315.461 2.755 20 10 DFCDMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000366530792 429470818 /nfs/dbraw/zinc/47/08/18/429470818.db2.gz QAIWLYUCRCJYHZ-DZGCQCFKSA-N 0 1 318.417 2.833 20 10 DFCDMN Cc1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000366678193 429492474 /nfs/dbraw/zinc/49/24/74/429492474.db2.gz LSUIHSVRIZOJRA-JOYOIKCWSA-N 0 1 306.797 2.611 20 10 DFCDMN [O-]c1ccc2ccccc2c1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000367423623 429645025 /nfs/dbraw/zinc/64/50/25/429645025.db2.gz VUEITQNNJRBXQS-KXBFYZLASA-N 0 1 313.397 2.973 20 10 DFCDMN C[C@H]([NH2+]CC12CC(C1)CO2)c1ccc(Br)cc1[O-] ZINC000527980050 429830650 /nfs/dbraw/zinc/83/06/50/429830650.db2.gz LNGIRABHMMYDQE-IPWFMCSPSA-N 0 1 312.207 2.984 20 10 DFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@]12CCCO2 ZINC000368707993 429889353 /nfs/dbraw/zinc/88/93/53/429889353.db2.gz UTCYWTHKTQAFII-OAGGEKHMSA-N 0 1 311.809 2.862 20 10 DFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Cl)c1 ZINC000529685225 430051004 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