smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000089948703 185270715 /nfs/dbraw/zinc/27/07/15/185270715.db2.gz YDUSXYLTWIEXSB-LUQKVYGDSA-N 1 0 324.468 4.137 50 0 DIAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1cnccn1 ZINC000090114990 185283051 /nfs/dbraw/zinc/28/30/51/185283051.db2.gz GBUDDTNOMROPIY-DJZPMSPPSA-N 1 0 301.821 4.178 50 0 DIAARO Cc1csc([C@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)n1 ZINC000092788362 185341121 /nfs/dbraw/zinc/34/11/21/185341121.db2.gz DXBWWSBZQMAPQR-ZDUSSCGKSA-N 1 0 319.499 4.165 50 0 DIAARO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(-n2cncn2)cc1 ZINC000095419438 185359804 /nfs/dbraw/zinc/35/98/04/185359804.db2.gz XHGVELINQZDQBJ-CXAGYDPISA-N 1 0 324.453 4.057 50 0 DIAARO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)c1ccncc1 ZINC000095419209 185359850 /nfs/dbraw/zinc/35/98/50/185359850.db2.gz YOGYUVNSDATQLN-QWRGUYRKSA-N 1 0 323.209 4.395 50 0 DIAARO Cc1cnc([C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C2CC2)s1 ZINC000095423341 185361170 /nfs/dbraw/zinc/36/11/70/185361170.db2.gz YJBLNPFFWYQZFC-HZPDHXFCSA-N 1 0 302.418 4.319 50 0 DIAARO COCCC[N@H+](C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000095455994 185370088 /nfs/dbraw/zinc/37/00/88/185370088.db2.gz YXLKPRSFIFOBIH-MRXNPFEDSA-N 1 0 323.440 4.055 50 0 DIAARO Cc1ccc([C@@H](C[NH2+][C@H](C)CSC(C)(C)C)N2CCCC2)o1 ZINC000097016743 185397393 /nfs/dbraw/zinc/39/73/93/185397393.db2.gz GQVIHCFILKMKMY-GDBMZVCRSA-N 1 0 324.534 4.235 50 0 DIAARO COc1ccc([C@H](C)C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000095468643 185372383 /nfs/dbraw/zinc/37/23/83/185372383.db2.gz ITHMHVYUEDYUHW-QGZVFWFLSA-N 1 0 324.468 4.148 50 0 DIAARO COc1ccc([C@@H](C)C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000095468642 185372391 /nfs/dbraw/zinc/37/23/91/185372391.db2.gz ITHMHVYUEDYUHW-KRWDZBQOSA-N 1 0 324.468 4.148 50 0 DIAARO Cc1cnc(C)c(Oc2ccc(C[NH+]3CCCC3)cc2Cl)n1 ZINC000067490353 190709347 /nfs/dbraw/zinc/70/93/47/190709347.db2.gz NVKISOYDQMNXOZ-UHFFFAOYSA-N 1 0 317.820 4.135 50 0 DIAARO CCc1[nH]c2c(cc(C)cc2CNc2cc(C)[nH+]c(NC)n2)c1C ZINC000071749142 191021871 /nfs/dbraw/zinc/02/18/71/191021871.db2.gz QEZNVBQAXZWCRL-UHFFFAOYSA-N 1 0 323.444 4.099 50 0 DIAARO Fc1ccc(CC[C@@H]2CCC[N@H+](CCc3ccccn3)C2)cc1 ZINC000072121785 191039802 /nfs/dbraw/zinc/03/98/02/191039802.db2.gz VJVKFAVFQLEPAZ-SFHVURJKSA-N 1 0 312.432 4.108 50 0 DIAARO c1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)c2)nc1 ZINC000072144305 191051658 /nfs/dbraw/zinc/05/16/58/191051658.db2.gz FXNOQZBISJEMPZ-OAQYLSRUSA-N 1 0 315.420 4.481 50 0 DIAARO CCn1nc(C)c(C[N@@H+]2CCCCC[C@H]2c2ccco2)c1C ZINC000072146697 191052883 /nfs/dbraw/zinc/05/28/83/191052883.db2.gz SMOTVPPZIYHGQF-KRWDZBQOSA-N 1 0 301.434 4.230 50 0 DIAARO c1coc(-c2ncc(C[N@@H+]3CCCCC[C@H]3c3ccco3)cn2)c1 ZINC000072151947 191058395 /nfs/dbraw/zinc/05/83/95/191058395.db2.gz KNVDOFJMSFBVMR-INIZCTEOSA-N 1 0 323.396 4.447 50 0 DIAARO Fc1ccccc1CC[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000072154282 191059603 /nfs/dbraw/zinc/05/96/03/191059603.db2.gz PRBKIVVMZAJARB-QGZVFWFLSA-N 1 0 312.432 4.108 50 0 DIAARO Cc1ccc(-c2cccc(C[NH+]3CC(c4ccccn4)C3)c2)o1 ZINC000072161151 191062707 /nfs/dbraw/zinc/06/27/07/191062707.db2.gz YFHAYBULORAFMN-UHFFFAOYSA-N 1 0 304.393 4.249 50 0 DIAARO Cc1cccnc1C[N@H+]1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000072173876 191069288 /nfs/dbraw/zinc/06/92/88/191069288.db2.gz JFOFKHPWNLWPAM-OAQYLSRUSA-N 1 0 323.484 4.179 50 0 DIAARO Cc1cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)ccc1Cl ZINC000225636493 186285510 /nfs/dbraw/zinc/28/55/10/186285510.db2.gz JTUVNEDFJOWXJT-SFHVURJKSA-N 1 0 317.860 4.498 50 0 DIAARO CCn1ccc2ccc(C[NH+]3CCC(c4ccncc4)CC3)cc21 ZINC000072430109 191162617 /nfs/dbraw/zinc/16/26/17/191162617.db2.gz RRKCVAOWROADNS-UHFFFAOYSA-N 1 0 319.452 4.436 50 0 DIAARO C[C@H](c1ccco1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000072481186 191181696 /nfs/dbraw/zinc/18/16/96/191181696.db2.gz ZKZMSIPXABNGQG-LLVKDONJSA-N 1 0 317.339 4.141 50 0 DIAARO O[C@@H](CN(c1ccccc1)c1ccccc1)C[NH+]1CCCCCC1 ZINC000000290007 180749000 /nfs/dbraw/zinc/74/90/00/180749000.db2.gz LJDPZQTZCQWYKS-OAQYLSRUSA-N 1 0 324.468 4.062 50 0 DIAARO Cc1ccc2c(c1)sc[n+]2Cc1ccc(Br)cc1 ZINC000000271714 180744662 /nfs/dbraw/zinc/74/46/62/180744662.db2.gz HBQPPVYCNXSVAG-UHFFFAOYSA-N 1 0 319.247 4.308 50 0 DIAARO CC[NH+](CC)CC(C)(C)COC(=O)c1oc2ccccc2c1C ZINC000001813761 180898122 /nfs/dbraw/zinc/89/81/22/180898122.db2.gz RZCCOMQEHBOSKB-UHFFFAOYSA-N 1 0 317.429 4.266 50 0 DIAARO Cc1cc(C)c(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c(C)c1 ZINC000002451097 180924459 /nfs/dbraw/zinc/92/44/59/180924459.db2.gz RPHSSDPQHQPIOG-KRWDZBQOSA-N 1 0 321.505 4.156 50 0 DIAARO Cc1ccc(C(=O)[C@H](Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000003384308 181014036 /nfs/dbraw/zinc/01/40/36/181014036.db2.gz LSFGKUCFFMPDOS-FQEVSTJZSA-N 1 0 307.437 4.275 50 0 DIAARO CCOC(=O)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000003342799 181009016 /nfs/dbraw/zinc/00/90/16/181009016.db2.gz OORFILPJVVLUKZ-UHFFFAOYSA-N 1 0 321.420 4.032 50 0 DIAARO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000003443365 181020395 /nfs/dbraw/zinc/02/03/95/181020395.db2.gz CTNIMUZMTQZGSE-HXUWFJFHSA-N 1 0 322.452 4.469 50 0 DIAARO CC(=O)Nc1sc2c(c1C[NH+]1CCCCCCC1)CCCC2 ZINC000003504161 181027124 /nfs/dbraw/zinc/02/71/24/181027124.db2.gz UFCHTHJHRQIVIF-UHFFFAOYSA-N 1 0 320.502 4.351 50 0 DIAARO CCn1cc(C[NH2+]CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000003772343 181045551 /nfs/dbraw/zinc/04/55/51/181045551.db2.gz RLLBDCJDAQHVIL-UHFFFAOYSA-N 1 0 317.436 4.475 50 0 DIAARO Cc1ccc(C)c(Cn2cc(SC(N)=[NH2+])c3ccccc32)c1 ZINC000003866087 181051005 /nfs/dbraw/zinc/05/10/05/181051005.db2.gz LMXCCNQFERNKFU-UHFFFAOYSA-N 1 0 309.438 4.292 50 0 DIAARO FC(F)Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003888111 181052906 /nfs/dbraw/zinc/05/29/06/181052906.db2.gz VIWLPYISTUWEGD-UHFFFAOYSA-N 1 0 307.384 4.346 50 0 DIAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccccc1Cl ZINC000003904947 181054996 /nfs/dbraw/zinc/05/49/96/181054996.db2.gz UZHMQBMKYWOFAJ-MGPQQGTHSA-N 1 0 309.837 4.148 50 0 DIAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1 ZINC000003904954 181055124 /nfs/dbraw/zinc/05/51/24/181055124.db2.gz GBAHPMMVENBPNR-MELADBBJSA-N 1 0 309.837 4.148 50 0 DIAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Cl ZINC000003904945 181055175 /nfs/dbraw/zinc/05/51/75/181055175.db2.gz UZHMQBMKYWOFAJ-HZSPNIEDSA-N 1 0 309.837 4.148 50 0 DIAARO c1ccc(COc2ccc3c(c2)c2c4n3CC[NH2+][C@@H]4CCC2)cc1 ZINC000004030268 181064198 /nfs/dbraw/zinc/06/41/98/181064198.db2.gz QVGYABWUBFHWOE-LJQANCHMSA-N 1 0 318.420 4.201 50 0 DIAARO Cc1cc(C)c(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C ZINC000004029244 181064228 /nfs/dbraw/zinc/06/42/28/181064228.db2.gz OGQXSBVMESXCLJ-PKOBYXMFSA-N 1 0 315.457 4.033 50 0 biogenic DIAARO c1ccc(COc2ccc3c(c2)c2c4n3CC[NH2+][C@H]4CCC2)cc1 ZINC000004030269 181064294 /nfs/dbraw/zinc/06/42/94/181064294.db2.gz QVGYABWUBFHWOE-IBGZPJMESA-N 1 0 318.420 4.201 50 0 DIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@@H]1CC=C(C)C[C@@H]1C ZINC000004029032 181064343 /nfs/dbraw/zinc/06/43/43/181064343.db2.gz SSBXMBLMSWKYIH-ZBQZNYHESA-N 1 0 310.441 4.356 50 0 biogenic DIAARO C[C@@H]1C[C@@](OC(=O)c2ccccc2)(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004011834 181061989 /nfs/dbraw/zinc/06/19/89/181061989.db2.gz ADUJECNUNSENPU-LZJOCLMNSA-N 1 0 323.436 4.099 50 0 DIAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000004123476 181076548 /nfs/dbraw/zinc/07/65/48/181076548.db2.gz ZDKFSRSOBMBSMR-HXUWFJFHSA-N 1 0 305.425 4.447 50 0 DIAARO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OC ZINC000004133282 181077234 /nfs/dbraw/zinc/07/72/34/181077234.db2.gz SWNYMCPMYKWPEZ-UHFFFAOYSA-N 1 0 315.457 4.152 50 0 DIAARO Cc1[nH]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2c1CC[NH3+] ZINC000004237551 181087136 /nfs/dbraw/zinc/08/71/36/181087136.db2.gz JQYGCDBGMIWPGD-UHFFFAOYSA-N 1 0 308.469 4.445 50 0 DIAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 ZINC000004298686 181094328 /nfs/dbraw/zinc/09/43/28/181094328.db2.gz OQZOUFRJMFWKRA-UGFPPAMCSA-N 1 0 313.441 4.110 50 0 DIAARO Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCCCC2)c1C ZINC000004257933 181088871 /nfs/dbraw/zinc/08/88/71/181088871.db2.gz GXKIHWMMQAFNLJ-UHFFFAOYSA-N 1 0 318.442 4.196 50 0 DIAARO COc1ccc(CC[N@H+](C)Cc2ccc(Cl)cc2)cc1OC ZINC000004575482 181125860 /nfs/dbraw/zinc/12/58/60/181125860.db2.gz DSGXQCVZZSLJAB-UHFFFAOYSA-N 1 0 319.832 4.032 50 0 DIAARO CSc1ccc(CNc2[nH+]cc(-c3ccccc3)n2C)cc1 ZINC000004678436 181135078 /nfs/dbraw/zinc/13/50/78/181135078.db2.gz SERKUURELHQLBA-UHFFFAOYSA-N 1 0 309.438 4.421 50 0 DIAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccccc1Cl ZINC000004678503 181136023 /nfs/dbraw/zinc/13/60/23/181136023.db2.gz XPQACMNNLDDMAA-UHFFFAOYSA-N 1 0 315.779 4.492 50 0 DIAARO COc1ccc(Br)cc1C[NH+]1CCCCCCC1 ZINC000004838191 181160143 /nfs/dbraw/zinc/16/01/43/181160143.db2.gz XYWBSNLQHCEMEP-UHFFFAOYSA-N 1 0 312.251 4.224 50 0 DIAARO CC(C)(c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000004845557 181162493 /nfs/dbraw/zinc/16/24/93/181162493.db2.gz OUIDHMRCLSZNME-UHFFFAOYSA-N 1 0 309.453 4.487 50 0 DIAARO C/C=C/c1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000004907543 181171370 /nfs/dbraw/zinc/17/13/70/181171370.db2.gz PZSOOIFECZNCKM-IEXSPKMKSA-N 1 0 303.446 4.229 50 0 DIAARO CC(=O)c1ccccc1OCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004869881 181166351 /nfs/dbraw/zinc/16/63/51/181166351.db2.gz AKHCKIKZYYLORN-IYBDPMFKSA-N 1 0 303.446 4.026 50 0 DIAARO C[N@H+](CCOc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000004913013 181172149 /nfs/dbraw/zinc/17/21/49/181172149.db2.gz WLZXVTQJXVOGAD-UHFFFAOYSA-N 1 0 309.331 4.216 50 0 DIAARO Clc1cnccc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964618 191542058 /nfs/dbraw/zinc/54/20/58/191542058.db2.gz ZAKYCCAESPTJEA-CQSZACIVSA-N 1 0 318.873 4.349 50 0 DIAARO Cc1ccccc1C1CC([NH2+]C[C@H](c2ccccc2)N(C)C)C1 ZINC000237003699 202118998 /nfs/dbraw/zinc/11/89/98/202118998.db2.gz SGUOPMVGUOONQJ-GZNCHQMQSA-N 1 0 308.469 4.134 50 0 DIAARO CC(C)=CCC[C@H](C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000004981099 535365535 /nfs/dbraw/zinc/36/55/35/535365535.db2.gz QDQLEXKTZREFBL-KRWDZBQOSA-N 1 0 304.453 4.330 50 0 DIAARO CCCOc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1OC ZINC000006645711 181364731 /nfs/dbraw/zinc/36/47/31/181364731.db2.gz GRZCBPDKMIZUHK-INIZCTEOSA-N 1 0 324.424 4.056 50 0 DIAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000006667608 181367847 /nfs/dbraw/zinc/36/78/47/181367847.db2.gz SKMLRJBUSBETJM-AWEZNQCLSA-N 1 0 303.833 4.199 50 0 DIAARO Fc1ccccc1COc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000006697673 181371761 /nfs/dbraw/zinc/37/17/61/181371761.db2.gz FQUPOHQSQMVGNH-UHFFFAOYSA-N 1 0 311.356 4.288 50 0 DIAARO Clc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000006702281 181373909 /nfs/dbraw/zinc/37/39/09/181373909.db2.gz FCAQZYIWKJJMBT-UHFFFAOYSA-N 1 0 310.180 4.012 50 0 DIAARO Cc1ccccc1CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006731074 181379039 /nfs/dbraw/zinc/37/90/39/181379039.db2.gz MKEDOTGIKRNQFK-UHFFFAOYSA-N 1 0 322.452 4.162 50 0 DIAARO Cc1ccc2cc(C[NH2+]CCCOC(C)C)c(Cl)nc2c1 ZINC000006784926 181387928 /nfs/dbraw/zinc/38/79/28/181387928.db2.gz BMKZOWKNXIKRED-UHFFFAOYSA-N 1 0 306.837 4.101 50 0 DIAARO Brc1ccc2[nH]cc(C[NH+]3CCCCCC3)c2c1 ZINC000258128359 203070226 /nfs/dbraw/zinc/07/02/26/203070226.db2.gz UWICOIPJMWULQL-UHFFFAOYSA-N 1 0 307.235 4.306 50 0 DIAARO CCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000007261676 181450339 /nfs/dbraw/zinc/45/03/39/181450339.db2.gz CJMYHGRBXCPILA-UHFFFAOYSA-N 1 0 317.404 4.303 50 0 DIAARO COC[C@H](C)[NH2+]C1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000095983714 193477397 /nfs/dbraw/zinc/47/73/97/193477397.db2.gz VOVFFWMNIQQVDD-YGONEPDPSA-N 1 0 313.894 4.368 50 0 DIAARO C[C@H](c1ccc(-c2cnc3[nH]cnc3c2)cc1)[NH+]1CCCCC1 ZINC000096148240 193552260 /nfs/dbraw/zinc/55/22/60/193552260.db2.gz GUKIHUADFSARBQ-CQSZACIVSA-N 1 0 306.413 4.172 50 0 DIAARO CCC[C@@]1(CC[NH2+][C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 ZINC000096115345 193544603 /nfs/dbraw/zinc/54/46/03/193544603.db2.gz UWNBQNKLNFHFPE-QFBILLFUSA-N 1 0 311.510 4.299 50 0 biogenic DIAARO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000008395607 181554662 /nfs/dbraw/zinc/55/46/62/181554662.db2.gz JYIQQFCAOGQROK-OAHLLOKOSA-N 1 0 311.425 4.432 50 0 DIAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C)c3)CC2)c1 ZINC000009062989 181599412 /nfs/dbraw/zinc/59/94/12/181599412.db2.gz ICWUNFAKOLBFEX-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO CC(C)(c1ccccc1)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631259 181962533 /nfs/dbraw/zinc/96/25/33/181962533.db2.gz CEADWIJTPPOBLJ-KRWDZBQOSA-N 1 0 309.453 4.391 50 0 DIAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(C)c2)cnn1-c1cccc(F)c1 ZINC000015076210 181987206 /nfs/dbraw/zinc/98/72/06/181987206.db2.gz ARHQORJKOVZFCK-OAHLLOKOSA-N 1 0 323.415 4.479 50 0 DIAARO Cc1sc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2c1C ZINC000015669834 182011261 /nfs/dbraw/zinc/01/12/61/182011261.db2.gz NKAXQRBJHFQTCT-UHFFFAOYSA-N 1 0 318.490 4.029 50 0 DIAARO CC(C)[NH+](CCNC(=O)c1ccc(-c2ccccc2)cc1)C(C)C ZINC000016600091 182051652 /nfs/dbraw/zinc/05/16/52/182051652.db2.gz PIKKXLPHGUGVOT-UHFFFAOYSA-N 1 0 324.468 4.202 50 0 DIAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3C)c(C)o2)c(F)c1 ZINC000019111066 182104737 /nfs/dbraw/zinc/10/47/37/182104737.db2.gz LVHPSMPBWGAMAQ-GFCCVEGCSA-N 1 0 318.392 4.172 50 0 DIAARO CC(C)c1cccc(C(C)C)c1OCCCC[NH+]1CCOCC1 ZINC000019720996 182138291 /nfs/dbraw/zinc/13/82/91/182138291.db2.gz LGIMWWURRFBDCZ-UHFFFAOYSA-N 1 0 319.489 4.425 50 0 DIAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000019720339 182138406 /nfs/dbraw/zinc/13/84/06/182138406.db2.gz RGYWMSDJQQEXBJ-UHFFFAOYSA-N 1 0 310.224 4.334 50 0 DIAARO COc1ccc(C[C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1 ZINC000019735220 182139860 /nfs/dbraw/zinc/13/98/60/182139860.db2.gz CVAZQOJFGUFCAC-FQEVSTJZSA-N 1 0 307.393 4.362 50 0 DIAARO CSc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019842560 182155484 /nfs/dbraw/zinc/15/54/84/182155484.db2.gz ZWAUGLACBVVYJK-SJLPKXTDSA-N 1 0 318.530 4.105 50 0 DIAARO CC1CCC([NH+]2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000019788444 182148919 /nfs/dbraw/zinc/14/89/19/182148919.db2.gz WENYKAWWULFQID-UHFFFAOYSA-N 1 0 306.881 4.036 50 0 DIAARO C/C=C/c1ccc(OCC[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000019815396 182153467 /nfs/dbraw/zinc/15/34/67/182153467.db2.gz BHHYEQITHTZKMR-ZZXKWVIFSA-N 1 0 323.436 4.165 50 0 DIAARO c1ccc2c(c1)cccc2CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019880291 182159608 /nfs/dbraw/zinc/15/96/08/182159608.db2.gz ROAYTCQGBNKYLT-IBGZPJMESA-N 1 0 320.480 4.314 50 0 DIAARO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@@H](O)c1ccccc1 ZINC000020312688 182205771 /nfs/dbraw/zinc/20/57/71/182205771.db2.gz YSZXGHITYXCDQV-BDJLRTHQSA-N 1 0 310.224 4.205 50 0 DIAARO c1csc(CC[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000020916606 182253608 /nfs/dbraw/zinc/25/36/08/182253608.db2.gz YVWNGKGPVXLVMH-UHFFFAOYSA-N 1 0 323.421 4.217 50 0 DIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1c(C)noc1C ZINC000021720432 182285977 /nfs/dbraw/zinc/28/59/77/182285977.db2.gz JBIFOASYEGAOIG-MRXNPFEDSA-N 1 0 300.402 4.027 50 0 DIAARO C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)c1ccccc1 ZINC000023280426 182355655 /nfs/dbraw/zinc/35/56/55/182355655.db2.gz ZLYXYVVOVYERBM-MRXNPFEDSA-N 1 0 310.224 4.159 50 0 DIAARO COc1ccccc1C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000023280417 182355985 /nfs/dbraw/zinc/35/59/85/182355985.db2.gz JAWNGBTVCMDOHL-CYBMUJFWSA-N 1 0 323.358 4.435 50 0 DIAARO Cc1ccc(-c2ccccc2C[NH2+][C@@H]2COc3ccccc3C2)o1 ZINC000023339621 182357311 /nfs/dbraw/zinc/35/73/11/182357311.db2.gz MNSGJUYFJDAIOP-SFHVURJKSA-N 1 0 319.404 4.348 50 0 DIAARO CC(C)[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccs1 ZINC000039985626 183026478 /nfs/dbraw/zinc/02/64/78/183026478.db2.gz LBMGVNQFGAZJOA-SFHVURJKSA-N 1 0 311.454 4.421 50 0 DIAARO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1OC ZINC000040007511 183027185 /nfs/dbraw/zinc/02/71/85/183027185.db2.gz AMYBBCNNBSWYLN-CYBMUJFWSA-N 1 0 303.377 4.036 50 0 DIAARO CC[C@@H](C)C[N@@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000039399679 183018896 /nfs/dbraw/zinc/01/88/96/183018896.db2.gz GFIHLSCKPHFVKK-CRAIPNDOSA-N 1 0 305.462 4.007 50 0 DIAARO COC(=O)c1oc(C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1C ZINC000040153676 183040553 /nfs/dbraw/zinc/04/05/53/183040553.db2.gz AONSGHUSWDDFPH-KRWDZBQOSA-N 1 0 313.397 4.020 50 0 DIAARO Cc1cc(OCCC2CC[NH2+]CC2)c(Cl)c(C)c1Cl ZINC000042773699 183306768 /nfs/dbraw/zinc/30/67/68/183306768.db2.gz VYESHQHCAHAHTE-UHFFFAOYSA-N 1 0 302.245 4.379 50 0 DIAARO CC(C)(C)n1cc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cn1 ZINC000042929838 183319035 /nfs/dbraw/zinc/31/90/35/183319035.db2.gz OBEIHGBJTAZTSK-HNNXBMFYSA-N 1 0 319.449 4.104 50 0 DIAARO CC[C@H](C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774570 183307692 /nfs/dbraw/zinc/30/76/92/183307692.db2.gz QCMRKGDUFPJXTK-AAEUAGOBSA-N 1 0 312.251 4.093 50 0 DIAARO Cc1ccc2c(C[N@H+](C)Cc3cccs3)cc(=O)oc2c1C ZINC000057024649 184024821 /nfs/dbraw/zinc/02/48/21/184024821.db2.gz YPBDKENKJHJLDT-UHFFFAOYSA-N 1 0 313.422 4.103 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3cccs3)c2cc1C ZINC000057024650 184024887 /nfs/dbraw/zinc/02/48/87/184024887.db2.gz MXWMMWVGNNMBFC-UHFFFAOYSA-N 1 0 313.422 4.103 50 0 DIAARO c1nc2ccccc2n1Cc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000057971910 184063906 /nfs/dbraw/zinc/06/39/06/184063906.db2.gz LVRRAALIEDLEHK-UHFFFAOYSA-N 1 0 305.425 4.117 50 0 DIAARO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)Cc1cccc(C)c1 ZINC000058017360 184067738 /nfs/dbraw/zinc/06/77/38/184067738.db2.gz DSWJNGNARUPDDL-UHFFFAOYSA-N 1 0 319.452 4.430 50 0 DIAARO Oc1cccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000058228566 184090679 /nfs/dbraw/zinc/09/06/79/184090679.db2.gz BOHIJZRJQPRMNC-UHFFFAOYSA-N 1 0 324.355 4.008 50 0 DIAARO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1 ZINC000058131379 184078888 /nfs/dbraw/zinc/07/88/88/184078888.db2.gz FHIHRBGMROQCIZ-HZPDHXFCSA-N 1 0 310.441 4.317 50 0 DIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccccc1 ZINC000059263456 184135706 /nfs/dbraw/zinc/13/57/06/184135706.db2.gz VFSZQOSWMSNJAP-OAHLLOKOSA-N 1 0 305.425 4.340 50 0 DIAARO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000064411734 184296754 /nfs/dbraw/zinc/29/67/54/184296754.db2.gz KWEQLLKXOXDQFZ-UHFFFAOYSA-N 1 0 302.443 4.023 50 0 DIAARO c1ccc2c[n+](CCOc3cccc4ccccc43)ccc2c1 ZINC000065012652 184308671 /nfs/dbraw/zinc/30/86/71/184308671.db2.gz KUAIUAOVPDKAFA-UHFFFAOYSA-N 1 0 300.381 4.360 50 0 DIAARO C[C@@H](c1cccc(-c2ccc(Cn3ccnc3)cc2)c1)[NH+](C)C ZINC000065382020 184331905 /nfs/dbraw/zinc/33/19/05/184331905.db2.gz GLJFTDFQZXKMLD-INIZCTEOSA-N 1 0 305.425 4.221 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(Br)cn1 ZINC000279631424 257237753 /nfs/dbraw/zinc/23/77/53/257237753.db2.gz BVDOQWROGFRTOT-NWDGAFQWSA-N 1 0 305.219 4.256 50 0 DIAARO CCCc1nnc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)s1 ZINC000426498583 257248797 /nfs/dbraw/zinc/24/87/97/257248797.db2.gz NJZLHHFRSYKDBR-ZDUSSCGKSA-N 1 0 301.459 4.314 50 0 DIAARO Cc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000244647026 257259476 /nfs/dbraw/zinc/25/94/76/257259476.db2.gz GTOXLWVKYOYTEF-SFTDATJTSA-N 1 0 312.501 4.224 50 0 DIAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@]2(O)C[NH3+] ZINC000122078581 195398427 /nfs/dbraw/zinc/39/84/27/195398427.db2.gz SNWGRADGFKNELG-PAPWGAKMSA-N 1 0 305.506 4.109 50 0 DIAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000284376808 131075758 /nfs/dbraw/zinc/07/57/58/131075758.db2.gz OMVNSLCAKYGRPD-LLVKDONJSA-N 1 0 307.825 4.010 50 0 DIAARO Cc1coc(C)c1C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000285327655 131158187 /nfs/dbraw/zinc/15/81/87/131158187.db2.gz QLZUNLUCYYCZMV-UHFFFAOYSA-N 1 0 312.413 4.120 50 0 DIAARO C[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1cccc(O)c1 ZINC000132222379 196236314 /nfs/dbraw/zinc/23/63/14/196236314.db2.gz RLSWAVITHLTVEH-OAHLLOKOSA-N 1 0 304.393 4.305 50 0 DIAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(OC2CCOCC2)cc1 ZINC000132237685 196238318 /nfs/dbraw/zinc/23/83/18/196238318.db2.gz RGWVUYRAUAGNLU-GQIGUUNPSA-N 1 0 317.473 4.474 50 0 DIAARO C[C@@H](c1ccc(-c2n[nH]c(=O)c3ccccc32)cc1)[NH+]1CCCC1 ZINC000534637688 334310020 /nfs/dbraw/zinc/31/00/20/334310020.db2.gz HQOOJVVUCQOEKI-AWEZNQCLSA-N 1 0 319.408 4.159 50 0 DIAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000174424467 340388132 /nfs/dbraw/zinc/38/81/32/340388132.db2.gz WHGXVBNIBBSDOQ-INIZCTEOSA-N 1 0 324.468 4.137 50 0 DIAARO CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cccs1 ZINC000131325242 341076187 /nfs/dbraw/zinc/07/61/87/341076187.db2.gz HHZAYANILVDYNT-OAHLLOKOSA-N 1 0 302.443 4.173 50 0 DIAARO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)c1 ZINC000137082278 341272275 /nfs/dbraw/zinc/27/22/75/341272275.db2.gz WKCACTGZWZEHND-GOSISDBHSA-N 1 0 315.413 4.162 50 0 DIAARO CC(C)(C)SCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000225785700 563763643 /nfs/dbraw/zinc/76/36/43/563763643.db2.gz HFURRXUZBPWUKJ-AWEZNQCLSA-N 1 0 307.459 4.084 50 0 DIAARO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)s1 ZINC000170060220 563903283 /nfs/dbraw/zinc/90/32/83/563903283.db2.gz QKTCBUHODUGECC-IERDGZPVSA-N 1 0 319.495 4.131 50 0 DIAARO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCC1CCCCC1 ZINC000078729261 563929891 /nfs/dbraw/zinc/92/98/91/563929891.db2.gz CJJVZLXEDVSBNK-UHFFFAOYSA-N 1 0 302.462 4.144 50 0 DIAARO Cc1csc(C2([NH2+][C@@H](C)CCc3ccccc3)CCC2)n1 ZINC000097212478 563512942 /nfs/dbraw/zinc/51/29/42/563512942.db2.gz CIDFVFQIDFCUBE-AWEZNQCLSA-N 1 0 300.471 4.442 50 0 DIAARO COc1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)cc1OC ZINC000000183372 563228733 /nfs/dbraw/zinc/22/87/33/563228733.db2.gz ZLXNYDKOUPTSMA-UHFFFAOYSA-N 1 0 308.381 4.034 50 0 DIAARO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000000183656 563228738 /nfs/dbraw/zinc/22/87/38/563228738.db2.gz UKLQDVAMCDQMPL-BXUZGUMPSA-N 1 0 312.251 4.126 50 0 DIAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000216281 563230862 /nfs/dbraw/zinc/23/08/62/563230862.db2.gz KQJYYDZPYZELJD-MRXNPFEDSA-N 1 0 324.424 4.292 50 0 DIAARO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000214732 563230964 /nfs/dbraw/zinc/23/09/64/563230964.db2.gz IHTGWHKQERQFGX-MRXNPFEDSA-N 1 0 312.432 4.141 50 0 DIAARO CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCC(c2ccccc2)CC1 ZINC000000280160 563235120 /nfs/dbraw/zinc/23/51/20/563235120.db2.gz UQNZQQKNENFRRR-CTWPCTMYSA-N 1 0 315.457 4.130 50 0 DIAARO O[C@H](CN(c1ccccc1)c1ccccc1)C[NH+]1CCCCCC1 ZINC000000290008 563236594 /nfs/dbraw/zinc/23/65/94/563236594.db2.gz LJDPZQTZCQWYKS-NRFANRHFSA-N 1 0 324.468 4.062 50 0 DIAARO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000000309162 563239138 /nfs/dbraw/zinc/23/91/38/563239138.db2.gz UUDLUCKIEGFRRV-IBGZPJMESA-N 1 0 322.452 4.154 50 0 DIAARO Brc1c(OCC[NH+]2CCCC2)ccc2ccccc21 ZINC000000311523 563239790 /nfs/dbraw/zinc/23/97/90/563239790.db2.gz TZTFNVRQHJPBGI-UHFFFAOYSA-N 1 0 320.230 4.077 50 0 DIAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1ccc(Cl)cc1Cl ZINC000000316897 563240184 /nfs/dbraw/zinc/24/01/84/563240184.db2.gz VOXVNRCZYRFDLV-NSHDSACASA-N 1 0 316.228 4.025 50 0 DIAARO Fc1ccc(-[n+]2c(-c3ccccc3)cn3c2SCCC3)cc1 ZINC000000389466 563249299 /nfs/dbraw/zinc/24/92/99/563249299.db2.gz ZLLZGFPQRHLOQI-UHFFFAOYSA-N 1 0 311.405 4.067 50 0 DIAARO C[NH+](C)C[C@@H]1CCC[C@@H](c2ccccc2)[C@]1(O)c1ccccc1 ZINC000096027446 563280661 /nfs/dbraw/zinc/28/06/61/563280661.db2.gz DCTQANNLOUFMPQ-ACRUOGEOSA-N 1 0 309.453 4.020 50 0 DIAARO Cc1cccc(Cl)c1NC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000001590481 563287058 /nfs/dbraw/zinc/28/70/58/563287058.db2.gz YRTDJKXWYAIZIJ-AWEZNQCLSA-N 1 0 323.868 4.034 50 0 DIAARO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000001675361 563290747 /nfs/dbraw/zinc/29/07/47/563290747.db2.gz AGJBLWCLQCKRJP-IBGZPJMESA-N 1 0 317.473 4.236 50 0 world DIAARO C[C@H](C[N@H+]1CC=CCC1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000002168195 563300739 /nfs/dbraw/zinc/30/07/39/563300739.db2.gz JRLONDNYHCBKKH-KNQAVFIVSA-N 1 0 321.464 4.015 50 0 DIAARO CC(C)[NH2+]CCCCOc1ccc(Br)cc1Cl ZINC000003001808 563320393 /nfs/dbraw/zinc/32/03/93/563320393.db2.gz KMFJVLFWDFXTGB-UHFFFAOYSA-N 1 0 320.658 4.260 50 0 DIAARO Cc1cc(Br)ccc1OCCCC[NH+]1CCCC1 ZINC000003003772 563320950 /nfs/dbraw/zinc/32/09/50/563320950.db2.gz BUTWJRLVTQKTSK-UHFFFAOYSA-N 1 0 312.251 4.012 50 0 DIAARO CC(=O)c1cccc(OCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004842762 563328458 /nfs/dbraw/zinc/32/84/58/563328458.db2.gz HXBFXVRDQYUEQL-HOTGVXAUSA-N 1 0 303.446 4.026 50 0 DIAARO O=C(Nc1ccccc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006742148 563333736 /nfs/dbraw/zinc/33/37/36/563333736.db2.gz OWPAIZMFMXGFGF-UHFFFAOYSA-N 1 0 309.413 4.317 50 0 DIAARO CC(C)(CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000006883166 563334604 /nfs/dbraw/zinc/33/46/04/563334604.db2.gz HYNCMQJCNLFZRR-UHFFFAOYSA-N 1 0 314.212 4.114 50 0 DIAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[NH+]1CCC(C)CC1 ZINC000008691924 563349161 /nfs/dbraw/zinc/34/91/61/563349161.db2.gz MAONZKQBHTYMEA-UHFFFAOYSA-N 1 0 304.821 4.134 50 0 DIAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]C1CCC1 ZINC000011878434 563360139 /nfs/dbraw/zinc/36/01/39/563360139.db2.gz GRADRQHYPGGUCO-QGZVFWFLSA-N 1 0 309.457 4.336 50 0 DIAARO Fc1ccc(CC[C@@H]2CCC[N@H+](Cc3nccs3)C2)cc1F ZINC000012052844 563361027 /nfs/dbraw/zinc/36/10/27/563361027.db2.gz YDBJTURQUZGRCI-AWEZNQCLSA-N 1 0 322.424 4.266 50 0 DIAARO Fc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1F ZINC000012304458 563366456 /nfs/dbraw/zinc/36/64/56/563366456.db2.gz SSGBKOJNBCAZLE-MRXNPFEDSA-N 1 0 302.368 4.041 50 0 DIAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000012475332 563370955 /nfs/dbraw/zinc/37/09/55/563370955.db2.gz BDLOLCFBINXMFP-AWEZNQCLSA-N 1 0 305.487 4.349 50 0 DIAARO C[C@@H](NC(=O)C[N@H+](C)C1CCC(C)CC1)c1ccccc1Cl ZINC000032751523 563389948 /nfs/dbraw/zinc/38/99/48/563389948.db2.gz RROJKFXPLIZYCS-SHARSMKWSA-N 1 0 322.880 4.028 50 0 DIAARO c1ccc(Cn2c(C[NH+]3CCCCCC3)nc3ccccc32)cc1 ZINC000013943963 563393149 /nfs/dbraw/zinc/39/31/49/563393149.db2.gz STVPPXBJTMOMMW-UHFFFAOYSA-N 1 0 319.452 4.461 50 0 DIAARO C[C@@H](C1CC1)[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 ZINC000032814810 563398807 /nfs/dbraw/zinc/39/88/07/563398807.db2.gz GTFWJJBJMZEYQK-LBPRGKRZSA-N 1 0 300.377 4.244 50 0 DIAARO Fc1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019536441 563415278 /nfs/dbraw/zinc/41/52/78/563415278.db2.gz HNMKXIWGFNPXSW-UHFFFAOYSA-N 1 0 320.411 4.301 50 0 DIAARO Cc1ccsc1[C@H]1CCCCC[N@H+]1Cc1cn(C)nc1C ZINC000033087105 563443766 /nfs/dbraw/zinc/44/37/66/563443766.db2.gz RQYQWMRZBKQFGS-MRXNPFEDSA-N 1 0 303.475 4.216 50 0 DIAARO c1cc2n(c1)-c1sc3c(c1C[NH2+][C@@H]2c1ccccc1)CCC3 ZINC000032919309 563444293 /nfs/dbraw/zinc/44/42/93/563444293.db2.gz MSYVDIVUDJELJJ-GOSISDBHSA-N 1 0 306.434 4.220 50 0 DIAARO Cc1ccc(C[N@@H+](C)Cc2cc(=O)oc3ccc(C)cc23)cc1 ZINC000033018646 563444459 /nfs/dbraw/zinc/44/44/59/563444459.db2.gz YMYSAWUQLZPSSR-UHFFFAOYSA-N 1 0 307.393 4.042 50 0 DIAARO COc1ccc(CC[N@H+](C)Cc2ccccc2Cl)cc1OC ZINC000023114954 563449446 /nfs/dbraw/zinc/44/94/46/563449446.db2.gz OLCZQXYOTFTNFU-UHFFFAOYSA-N 1 0 319.832 4.032 50 0 DIAARO Brc1ccc(Oc2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000034833697 563452043 /nfs/dbraw/zinc/45/20/43/563452043.db2.gz DCRPMZVFPKONPN-UHFFFAOYSA-N 1 0 318.214 4.493 50 0 DIAARO C[C@H]1CCCC[N@@H+]1CC(=O)n1c2ccccc2c2ccccc21 ZINC000054097363 563470370 /nfs/dbraw/zinc/47/03/70/563470370.db2.gz LWLHEWKCUGKMBK-HNNXBMFYSA-N 1 0 306.409 4.309 50 0 DIAARO Cc1c(COC(C)C)cccc1NCc1nccn1C(C)C ZINC000096466581 563483810 /nfs/dbraw/zinc/48/38/10/563483810.db2.gz NCERBYXFUNRYOW-UHFFFAOYSA-N 1 0 301.434 4.310 50 0 DIAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(CC)no2)cc1 ZINC000064666982 563486332 /nfs/dbraw/zinc/48/63/32/563486332.db2.gz RWYVGKMGDKPAIK-SFHVURJKSA-N 1 0 314.429 4.363 50 0 DIAARO Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000067589022 563488064 /nfs/dbraw/zinc/48/80/64/563488064.db2.gz LNCGTHGIMSRNET-INIZCTEOSA-N 1 0 320.440 4.282 50 0 DIAARO CCC[C@H](C)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067674125 563488425 /nfs/dbraw/zinc/48/84/25/563488425.db2.gz WMGWXYURLVTVSF-LBPRGKRZSA-N 1 0 306.356 4.430 50 0 DIAARO C[C@H](c1ccc(-c2cccc3[nH]ccc32)cc1)[NH+]1CCOCC1 ZINC000067881729 563493179 /nfs/dbraw/zinc/49/31/79/563493179.db2.gz WBOOABBEZQVBRX-OAHLLOKOSA-N 1 0 306.409 4.228 50 0 DIAARO Fc1c(C[NH+]2CCCC2)cccc1Oc1nccc2occc21 ZINC000067947632 563493907 /nfs/dbraw/zinc/49/39/07/563493907.db2.gz JTHILQQJBGPQMR-UHFFFAOYSA-N 1 0 312.344 4.355 50 0 DIAARO Cc1[nH]c2ccccc2c1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000071930755 563501298 /nfs/dbraw/zinc/50/12/98/563501298.db2.gz SACBXLQWPLOBMB-UHFFFAOYSA-N 1 0 319.452 4.107 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@H]([C@H]1CC=CCC1)[NH2+]CC2 ZINC000000032786 563506238 /nfs/dbraw/zinc/50/62/38/563506238.db2.gz NQOAKPOUJMMSCV-LIRRHRJNSA-N 1 0 301.430 4.027 50 0 DIAARO CC[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000097151477 563507623 /nfs/dbraw/zinc/50/76/23/563507623.db2.gz VBDILHRTXFYXOK-INIZCTEOSA-N 1 0 317.816 4.352 50 0 DIAARO Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000077485516 563511131 /nfs/dbraw/zinc/51/11/31/563511131.db2.gz NYTRQTARYSSQAL-ZDUSSCGKSA-N 1 0 323.893 4.122 50 0 DIAARO CSc1ccc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2)cc1 ZINC000077519263 563511955 /nfs/dbraw/zinc/51/19/55/563511955.db2.gz NTIMWRHCJVNKBJ-KRWDZBQOSA-N 1 0 315.486 4.050 50 0 DIAARO Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000000075318 563523157 /nfs/dbraw/zinc/52/31/57/563523157.db2.gz BVPNPNFRRPQTNG-FQEVSTJZSA-N 1 0 305.425 4.447 50 0 DIAARO Cc1[nH]c2ccc(F)cc2c(=O)c1C[N@H+](C)Cc1ccccc1 ZINC000008717114 563523333 /nfs/dbraw/zinc/52/33/33/563523333.db2.gz KZADZIYSRIIIIO-UHFFFAOYSA-N 1 0 310.372 4.020 50 0 DIAARO CC(C)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccsc2)cc1 ZINC000011438350 563526822 /nfs/dbraw/zinc/52/68/22/563526822.db2.gz VHWZMTYOTGKMPS-AWEZNQCLSA-N 1 0 316.470 4.331 50 0 DIAARO Fc1ccc([C@H]2CC[N@@H+]2Cc2cccc(Cn3cccn3)c2)cc1 ZINC000097572304 563540530 /nfs/dbraw/zinc/54/05/30/563540530.db2.gz BNAFGOVYBNXKHP-HXUWFJFHSA-N 1 0 321.399 4.018 50 0 DIAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2 ZINC000100036536 563545050 /nfs/dbraw/zinc/54/50/50/563545050.db2.gz GIJXKZJWITVLHI-PMOLBWCYSA-N 1 0 307.437 4.418 50 0 fda DIAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(C)cc3)c2c1 ZINC000000144062 563573416 /nfs/dbraw/zinc/57/34/16/563573416.db2.gz MQJAXNMWWCUVRE-UHFFFAOYSA-N 1 0 306.365 4.382 50 0 DIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000124073621 563599646 /nfs/dbraw/zinc/59/96/46/563599646.db2.gz DBQNXTRFKXNREF-IBGZPJMESA-N 1 0 312.388 4.121 50 0 DIAARO Oc1cccc2c1CC[C@H]2[NH2+]Cc1ccn(Cc2ccccc2)c1 ZINC000125061608 563601463 /nfs/dbraw/zinc/60/14/63/563601463.db2.gz CUCLUXUIVSVJSI-HXUWFJFHSA-N 1 0 318.420 4.019 50 0 DIAARO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cccc2ccccc21 ZINC000135578524 563609621 /nfs/dbraw/zinc/60/96/21/563609621.db2.gz BRBMNONGSNMUHP-IBGZPJMESA-N 1 0 305.425 4.083 50 0 DIAARO CC[C@H](C(=O)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000033996365 563616018 /nfs/dbraw/zinc/61/60/18/563616018.db2.gz OBBFYFBJWYPOQQ-IBGZPJMESA-N 1 0 311.425 4.004 50 0 DIAARO CC[NH+](CC)CCSc1ccc(-c2ccc(Cl)cc2)nn1 ZINC000005410525 563620983 /nfs/dbraw/zinc/62/09/83/563620983.db2.gz HUEUOGXYMILFBP-UHFFFAOYSA-N 1 0 321.877 4.231 50 0 DIAARO CCC(CC)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863048 563625447 /nfs/dbraw/zinc/62/54/47/563625447.db2.gz CXDLVMLZUMTAHT-QGZVFWFLSA-N 1 0 322.518 4.218 50 0 DIAARO C[NH+](C)CCCN1c2cc(Cl)ccc2S[C@@H]2C=CC=C[C@@H]21 ZINC000206671353 563626378 /nfs/dbraw/zinc/62/63/78/563626378.db2.gz JUIPSBKQGLNCMP-GOEBONIOSA-N 1 0 320.889 4.067 50 0 DIAARO CCOc1cc(C[NH2+][C@@H]2CCCc3ccccc32)ccc1OC ZINC000004685528 563637048 /nfs/dbraw/zinc/63/70/48/563637048.db2.gz VQHOXKUFLKWHPH-GOSISDBHSA-N 1 0 311.425 4.261 50 0 DIAARO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000102509430 563660247 /nfs/dbraw/zinc/66/02/47/563660247.db2.gz GJPPZKHLUMREPU-GHMZBOCLSA-N 1 0 315.244 4.052 50 0 DIAARO Cc1ccc(CCn2c3ccc(F)cc3c3c2CCN(C)C3)cc1 ZINC000045387342 563689232 /nfs/dbraw/zinc/68/92/32/563689232.db2.gz AVZFSLTZULXZCC-UHFFFAOYSA-N 1 0 322.427 4.319 50 0 DIAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(C)cc2C)cc1 ZINC000047719543 563692791 /nfs/dbraw/zinc/69/27/91/563692791.db2.gz PWEBBVYYBAFPPP-UHFFFAOYSA-N 1 0 310.441 4.332 50 0 DIAARO CC(C)CC[C@@H](C)[NH+]1CCC(n2cc(C(C)(C)C)nn2)CC1 ZINC000048170755 563693402 /nfs/dbraw/zinc/69/34/02/563693402.db2.gz FHLLYPKNSTXZDD-OAHLLOKOSA-N 1 0 306.498 4.037 50 0 DIAARO COc1ccc(C[NH2+][C@H](C)c2cccc3ccccc32)cc1O ZINC000048324795 563696341 /nfs/dbraw/zinc/69/63/41/563696341.db2.gz PTPHKWHMVUFOBD-CQSZACIVSA-N 1 0 307.393 4.405 50 0 DIAARO O=C(Nc1cccc(C[NH2+]C2CCCC2)c1)c1cccc(F)c1 ZINC000048781534 563699660 /nfs/dbraw/zinc/69/96/60/563699660.db2.gz IPTRZQIGYHNAHE-UHFFFAOYSA-N 1 0 312.388 4.110 50 0 DIAARO COc1cccc(C[NH2+][C@@H]2CCSc3ccccc32)c1OC ZINC000008328513 563721069 /nfs/dbraw/zinc/72/10/69/563721069.db2.gz OLRCSDHTKNVLOZ-OAHLLOKOSA-N 1 0 315.438 4.031 50 0 DIAARO CC[NH+](CC)CCOC(=O)[C@@H](c1cccs1)[C@@H]1C=CCCC1 ZINC000033648792 563725060 /nfs/dbraw/zinc/72/50/60/563725060.db2.gz KYNUPCMVBZSOJZ-NVXWUHKLSA-N 1 0 321.486 4.073 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(C)sc2C)cc1 ZINC000027218359 563738701 /nfs/dbraw/zinc/73/87/01/563738701.db2.gz YLLWRYLELGELQY-GFCCVEGCSA-N 1 0 302.443 4.174 50 0 DIAARO CCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH3+])cc1 ZINC000606422463 563743701 /nfs/dbraw/zinc/74/37/01/563743701.db2.gz MHWOBLHPFWIKIL-UHFFFAOYSA-N 1 0 309.438 4.110 50 0 DIAARO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)C1(c2ccccc2)CCCC1 ZINC000225566279 563758796 /nfs/dbraw/zinc/75/87/96/563758796.db2.gz IAWLZWWTFKQTMF-CRAIPNDOSA-N 1 0 315.482 4.272 50 0 DIAARO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000241515601 563777320 /nfs/dbraw/zinc/77/73/20/563777320.db2.gz OGKSXUYCCKUANP-YFVAEKQCSA-N 1 0 309.453 4.297 50 0 DIAARO c1coc([C@@H]2CCCCC[N@H+]2Cc2cc(-c3cccnc3)no2)c1 ZINC000244899459 563779954 /nfs/dbraw/zinc/77/99/54/563779954.db2.gz ZKFVNHZAXCDZFD-SFHVURJKSA-N 1 0 323.396 4.447 50 0 DIAARO Fc1ccccc1CCOc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000299781078 563805810 /nfs/dbraw/zinc/80/58/10/563805810.db2.gz CYYIRWZPYPENTH-UHFFFAOYSA-N 1 0 313.416 4.479 50 0 DIAARO CC(C)(C)c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299792465 563806453 /nfs/dbraw/zinc/80/64/53/563806453.db2.gz DWTIOPKWAWPNQK-XHSDSOJGSA-N 1 0 311.429 4.060 50 0 DIAARO c1ccc(CN2CCOc3ccc(C4=CCCCC4)cc3C2)nc1 ZINC000299796293 563806498 /nfs/dbraw/zinc/80/64/98/563806498.db2.gz OXOWWLQJUWNKHO-UHFFFAOYSA-N 1 0 320.436 4.434 50 0 DIAARO CC[C@@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000299787648 563806703 /nfs/dbraw/zinc/80/67/03/563806703.db2.gz YBKLAMPEVVEFDI-GDBMZVCRSA-N 1 0 315.436 4.441 50 0 DIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000012672986 563809225 /nfs/dbraw/zinc/80/92/25/563809225.db2.gz KYHBUFSRGTXJQT-DNVCBOLYSA-N 1 0 308.425 4.063 50 0 DIAARO Cn1c(Cl)cnc1CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000084303816 563825365 /nfs/dbraw/zinc/82/53/65/563825365.db2.gz JWZWLOGOZNIVHQ-MRXNPFEDSA-N 1 0 315.848 4.116 50 0 DIAARO CC(C)[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccs1 ZINC000084456459 563827061 /nfs/dbraw/zinc/82/70/61/563827061.db2.gz COUKCFQUVZQGQO-QGZVFWFLSA-N 1 0 317.454 4.396 50 0 DIAARO Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCCCC3)cc1 ZINC000001497992 563840116 /nfs/dbraw/zinc/84/01/16/563840116.db2.gz AJMZMBFVYSTERW-UHFFFAOYSA-N 1 0 303.429 4.467 50 0 DIAARO c1cnn(-c2ccc(C[N@H+]3CC=C(c4ccccc4)CC3)cc2)c1 ZINC000012877603 563850741 /nfs/dbraw/zinc/85/07/41/563850741.db2.gz QCMZVCUIHNVVTL-UHFFFAOYSA-N 1 0 315.420 4.162 50 0 DIAARO Cc1noc(C)c1C[NH2+]Cc1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000075093177 563859031 /nfs/dbraw/zinc/85/90/31/563859031.db2.gz CTMYWSLKZLXPBT-UHFFFAOYSA-N 1 0 324.211 4.369 50 0 DIAARO Cc1noc(C2CC[NH+]([C@@H](C)c3ccc4ccccc4c3)CC2)n1 ZINC000053618211 563863941 /nfs/dbraw/zinc/86/39/41/563863941.db2.gz DOSLKGNONHLEGL-AWEZNQCLSA-N 1 0 321.424 4.472 50 0 DIAARO CCCc1nc2cc(CCC(=O)Nc3ccc(C)cc3)ccc2[nH]1 ZINC000075465690 563873951 /nfs/dbraw/zinc/87/39/51/563873951.db2.gz MESHXEUCVUQCSA-UHFFFAOYSA-N 1 0 321.424 4.395 50 0 DIAARO Cc1nn(C(C)C)c(C)c1[C@@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771864 563875478 /nfs/dbraw/zinc/87/54/78/563875478.db2.gz HSWGXCUIFIOZKJ-RWBZWWBESA-N 1 0 321.509 4.468 50 0 DIAARO Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000090771865 563875600 /nfs/dbraw/zinc/87/56/00/563875600.db2.gz HSWGXCUIFIOZKJ-NNGSBXSVSA-N 1 0 321.509 4.468 50 0 DIAARO OC1CCC([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000090800638 563876145 /nfs/dbraw/zinc/87/61/45/563876145.db2.gz HFRGTMHTYUBFIX-SSDMNJCBSA-N 1 0 311.878 4.160 50 0 DIAARO COc1ccccc1[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000245969820 563883003 /nfs/dbraw/zinc/88/30/03/563883003.db2.gz FKPZZEPKBAHBJM-DOHHPOSVSA-N 1 0 317.473 4.472 50 0 DIAARO C[C@]12CCCC(=O)[C@@H]1[C@@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000252428299 563883824 /nfs/dbraw/zinc/88/38/24/563883824.db2.gz XCTUOBOQUJSQJX-CGXNFDGLSA-N 1 0 305.421 4.448 50 0 DIAARO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCCCC3)c12 ZINC000006663154 563892201 /nfs/dbraw/zinc/89/22/01/563892201.db2.gz ALZOEMCGVVDHFS-UHFFFAOYSA-N 1 0 320.440 4.087 50 0 DIAARO CC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099003 563893359 /nfs/dbraw/zinc/89/33/59/563893359.db2.gz NEWPPQAJZAGVAV-FQEVSTJZSA-N 1 0 315.432 4.216 50 0 DIAARO CCC[C@@H](O)C[N@H+](Cc1ccc(C)s1)Cc1ccc(F)cc1 ZINC000036101541 563893916 /nfs/dbraw/zinc/89/39/16/563893916.db2.gz AXAAULVYLBTDKJ-QGZVFWFLSA-N 1 0 321.461 4.359 50 0 DIAARO Cc1ccc(C)c(C[N@@H+](C[C@@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036103860 563894195 /nfs/dbraw/zinc/89/41/95/563894195.db2.gz WGJCMTKGQCDZDH-NRFANRHFSA-N 1 0 311.469 4.117 50 0 DIAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ccc(F)cc1 ZINC000036657759 563902259 /nfs/dbraw/zinc/90/22/59/563902259.db2.gz AUQNHPWNBZQBRR-UHFFFAOYSA-N 1 0 300.352 4.087 50 0 DIAARO [NH3+]C[C@@H](C(=O)Nc1cccc(-c2cccs2)c1)c1ccccc1 ZINC000170048707 563902956 /nfs/dbraw/zinc/90/29/56/563902956.db2.gz UNZCOKGWWLCQMG-QGZVFWFLSA-N 1 0 322.433 4.096 50 0 DIAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000170126272 563903867 /nfs/dbraw/zinc/90/38/67/563903867.db2.gz RSNXFQRUPPEWDO-QGZVFWFLSA-N 1 0 309.438 4.337 50 0 DIAARO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000007384107 563905804 /nfs/dbraw/zinc/90/58/04/563905804.db2.gz GJPPZKHLUMREPU-MNOVXSKESA-N 1 0 315.244 4.052 50 0 DIAARO CCCC[C@H](CC)CC[NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1 ZINC000170591083 563906693 /nfs/dbraw/zinc/90/66/93/563906693.db2.gz FUCBSMQHBJPZGH-CLWJZODNSA-N 1 0 301.540 4.262 50 0 DIAARO C[C@@H](c1ccco1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000170602814 563907290 /nfs/dbraw/zinc/90/72/90/563907290.db2.gz PBLIJGIWJAGNAC-LRDDRELGSA-N 1 0 323.339 4.016 50 0 DIAARO Cc1nc2c(s1)[C@H]([N@@H+](C)CCO[C@@H]1CCCC[C@@H]1C)CCC2 ZINC000170625051 563908820 /nfs/dbraw/zinc/90/88/20/563908820.db2.gz LLVBLQHSAUHJHY-IAOVAPTHSA-N 1 0 322.518 4.356 50 0 DIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(F)c1 ZINC000027143587 563914028 /nfs/dbraw/zinc/91/40/28/563914028.db2.gz LNUZKMUYYZXCHH-UHFFFAOYSA-N 1 0 312.388 4.064 50 0 DIAARO CC[C@@H](C)[C@@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1C ZINC000003199772 563915758 /nfs/dbraw/zinc/91/57/58/563915758.db2.gz NEKPQBPYJZRPBN-VQIMIIECSA-N 1 0 319.489 4.400 50 0 DIAARO Cc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccnc2)c1 ZINC000037522514 563918318 /nfs/dbraw/zinc/91/83/18/563918318.db2.gz DRLRJEULSXYLLN-NRFANRHFSA-N 1 0 317.436 4.187 50 0 DIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 ZINC000007828482 563920006 /nfs/dbraw/zinc/92/00/06/563920006.db2.gz MBVBXHBTWCMJRQ-UHFFFAOYSA-N 1 0 324.468 4.075 50 0 DIAARO Cc1ccccc1CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000022860836 563923711 /nfs/dbraw/zinc/92/37/11/563923711.db2.gz JBNGYRVTKLXUGR-NHCUHLMSSA-N 1 0 312.501 4.224 50 0 DIAARO C[C@H]([NH2+]C(C)(C)CNCc1ccc(F)c(F)c1)c1ccccc1 ZINC000078725111 563929862 /nfs/dbraw/zinc/92/98/62/563929862.db2.gz UNJWPUXDTAJSNN-AWEZNQCLSA-N 1 0 318.411 4.184 50 0 DIAARO COc1ccc2cc(C[N@H+](C)Cc3cnc(C)s3)ccc2c1 ZINC000095369305 563931099 /nfs/dbraw/zinc/93/10/99/563931099.db2.gz XCPOELZXQBSTEJ-UHFFFAOYSA-N 1 0 312.438 4.245 50 0 DIAARO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000095420160 563931265 /nfs/dbraw/zinc/93/12/65/563931265.db2.gz BUHOETIKGKRJSY-HNNXBMFYSA-N 1 0 311.454 4.152 50 0 DIAARO CC[C@H]([NH2+]Cc1ccc(NC(=O)OC)cc1)c1cccs1 ZINC000095420440 563931281 /nfs/dbraw/zinc/93/12/81/563931281.db2.gz AMBFDOUHLPYPMU-AWEZNQCLSA-N 1 0 304.415 4.167 50 0 DIAARO CC(C)C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccn1 ZINC000095420345 563931307 /nfs/dbraw/zinc/93/13/07/563931307.db2.gz LOWWDJSHMAVPOG-FQEVSTJZSA-N 1 0 320.440 4.144 50 0 DIAARO Cc1nccn1Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000095420121 563931427 /nfs/dbraw/zinc/93/14/27/563931427.db2.gz FJZFRHZXRYGPFX-HNNXBMFYSA-N 1 0 323.415 4.230 50 0 DIAARO CSc1ccccc1N(C)Cc1cc(-n2ccnc2)cs1 ZINC000095940879 563932010 /nfs/dbraw/zinc/93/20/10/563932010.db2.gz XMGZFTDHCBDDGH-UHFFFAOYSA-N 1 0 315.467 4.292 50 0 DIAARO CCn1ccnc1CSc1ncc(C(F)(F)F)cc1Cl ZINC000095952866 563932227 /nfs/dbraw/zinc/93/22/27/563932227.db2.gz OLIHTTPVEYDZGO-UHFFFAOYSA-N 1 0 321.755 4.263 50 0 DIAARO CCC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccccn1 ZINC000095980740 563933950 /nfs/dbraw/zinc/93/39/50/563933950.db2.gz KRUHQHKDTUHBQG-XLIONFOSSA-N 1 0 309.457 4.181 50 0 DIAARO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc2ccccc21 ZINC000095983775 563933987 /nfs/dbraw/zinc/93/39/87/563933987.db2.gz DROFNNIBRNZWOO-NVXWUHKLSA-N 1 0 311.425 4.176 50 0 DIAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cn2)C(C)C)C12CCCC2 ZINC000095996353 563934323 /nfs/dbraw/zinc/93/43/23/563934323.db2.gz NIKGFOWOLQIATJ-KZNAEPCWSA-N 1 0 320.452 4.245 50 0 DIAARO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cn2)C(C)C)C12CCCC2 ZINC000230229427 563942038 /nfs/dbraw/zinc/94/20/38/563942038.db2.gz NIKGFOWOLQIATJ-KURKYZTESA-N 1 0 320.452 4.245 50 0 DIAARO Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000230215276 563942155 /nfs/dbraw/zinc/94/21/55/563942155.db2.gz ODBXLKDHBXNKCO-DKICVRJWSA-N 1 0 309.457 4.339 50 0 DIAARO CN(C)[C@H]1CC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000670457149 563945111 /nfs/dbraw/zinc/94/51/11/563945111.db2.gz KHPMSODNPCJZBJ-HNNXBMFYSA-N 1 0 310.466 4.190 50 0 DIAARO CCCc1cnc(NCC[C@H]2CCCC[N@@H+]2C2CCCC2)nc1 ZINC000670460169 563945495 /nfs/dbraw/zinc/94/54/95/563945495.db2.gz ZJACSRRGOPEJCG-GOSISDBHSA-N 1 0 316.493 4.028 50 0 DIAARO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CCCCCCC1 ZINC000008236249 563947413 /nfs/dbraw/zinc/94/74/13/563947413.db2.gz FUDGEJZLFQHFBC-SFHVURJKSA-N 1 0 319.489 4.252 50 0 DIAARO COCc1ccccc1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000066970779 563948179 /nfs/dbraw/zinc/94/81/79/563948179.db2.gz SAVBONPMWYTBFF-UHFFFAOYSA-N 1 0 324.449 4.246 50 0 DIAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000008395760 563948491 /nfs/dbraw/zinc/94/84/91/563948491.db2.gz RWJKSPOQVDYNAA-SFHVURJKSA-N 1 0 322.452 4.154 50 0 DIAARO COc1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1OC ZINC000008428721 563948589 /nfs/dbraw/zinc/94/85/89/563948589.db2.gz HOESTZZJPCPFTH-HNNXBMFYSA-N 1 0 315.438 4.031 50 0 DIAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@H+]1CCCC[C@@H]1C ZINC000008700895 563949764 /nfs/dbraw/zinc/94/97/64/563949764.db2.gz YQPXDZMMGCBFOW-NSHDSACASA-N 1 0 304.821 4.277 50 0 DIAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008700909 563949770 /nfs/dbraw/zinc/94/97/70/563949770.db2.gz WOCYBRKWOIYLEN-AWEZNQCLSA-N 1 0 314.429 4.022 50 0 DIAARO CCC[NH+](CCC)Cc1c(C)[nH]c2ccc(CC)cc2c1=O ZINC000008714066 563949957 /nfs/dbraw/zinc/94/99/57/563949957.db2.gz RRFCRHIJURKQEG-UHFFFAOYSA-N 1 0 300.446 4.433 50 0 DIAARO CCCC[N@H+](C)Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O ZINC000008717943 563950182 /nfs/dbraw/zinc/95/01/82/563950182.db2.gz HKGVOOFCUPTGOW-UHFFFAOYSA-N 1 0 306.837 4.443 50 0 DIAARO CC(C)(C)[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000069592196 563953829 /nfs/dbraw/zinc/95/38/29/563953829.db2.gz WUCOOQBYSPZMPC-IBGZPJMESA-N 1 0 320.436 4.405 50 0 DIAARO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C)c1ccccc1 ZINC000009217985 563954219 /nfs/dbraw/zinc/95/42/19/563954219.db2.gz NSKDBIAUYCFUDG-QFBILLFUSA-N 1 0 310.441 4.453 50 0 DIAARO Fc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1Cl ZINC000007539757 568412416 /nfs/dbraw/zinc/41/24/16/568412416.db2.gz DPKNHUCDSILKCY-GFCCVEGCSA-N 1 0 309.768 4.008 50 0 DIAARO FC(F)(F)c1cccc(C[n+]2ccc(-c3ccccc3)nc2)c1 ZINC000003131460 568416845 /nfs/dbraw/zinc/41/68/45/568416845.db2.gz BGPCCJSSDKOILU-UHFFFAOYSA-N 1 0 315.318 4.103 50 0 DIAARO C[NH+]1CCC(N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000002499304 1037583189 /nfs/dbraw/zinc/58/31/89/1037583189.db2.gz MBAPSEWVRUUZKT-LJQANCHMSA-N 1 0 314.860 4.113 50 0 DIAARO OCC[N@H+](Cc1ccccc1)C1CCC(c2ccccc2)CC1 ZINC000002499178 1037583501 /nfs/dbraw/zinc/58/35/01/1037583501.db2.gz WSUMRKDJUJZBAH-UHFFFAOYSA-N 1 0 309.453 4.207 50 0 DIAARO CC[C@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1c(C)noc1C ZINC000657933223 1040192722 /nfs/dbraw/zinc/19/27/22/1040192722.db2.gz PRWJOEZLZYRFQF-ZANVPECISA-N 1 0 309.360 4.426 50 0 DIAARO Fc1ccc(/C=C/C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000096003634 1040478551 /nfs/dbraw/zinc/47/85/51/1040478551.db2.gz VQPITKOPASEPNM-DUXPYHPUSA-N 1 0 310.416 4.189 50 0 DIAARO CC(C)[N@@H+]1C[C@@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257178182 1041545817 /nfs/dbraw/zinc/54/58/17/1041545817.db2.gz ZFPDNOSOFVYTPI-INIZCTEOSA-N 1 0 311.429 4.105 50 0 DIAARO CC(C)=CCC[C@@H](C)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019633136 1041720740 /nfs/dbraw/zinc/72/07/40/1041720740.db2.gz NKKQBJDCFWZFFP-LJQANCHMSA-N 1 0 300.490 4.187 50 0 DIAARO COc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc1 ZINC000004983903 1042121802 /nfs/dbraw/zinc/12/18/02/1042121802.db2.gz FFYODAYIOCQFBQ-UHFFFAOYSA-N 1 0 305.421 4.256 50 0 DIAARO COc1cccc(N2CC[NH+](CC[C@H](C)c3ccccc3)CC2)c1 ZINC000006248210 1042255179 /nfs/dbraw/zinc/25/51/79/1042255179.db2.gz VXKXRZJLYIOSDF-SFHVURJKSA-N 1 0 324.468 4.011 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccccc2C)c2ccccc12 ZINC000888095770 1042262728 /nfs/dbraw/zinc/26/27/28/1042262728.db2.gz ATRNGRLUQUXICB-UHFFFAOYSA-N 1 0 305.421 4.489 50 0 DIAARO c1cn(-c2ccc(C[NH2+][C@H]3CCSc4ccccc43)cc2)cn1 ZINC000032735859 1042296337 /nfs/dbraw/zinc/29/63/37/1042296337.db2.gz RIOQZDDVGMOIMD-SFHVURJKSA-N 1 0 321.449 4.199 50 0 DIAARO COc1ccc2oc([C@H](C)[NH2+]Cc3cccnc3C)c(C)c2c1 ZINC000106472364 1043097168 /nfs/dbraw/zinc/09/71/68/1043097168.db2.gz SKDURNCCQJOIDX-AWEZNQCLSA-N 1 0 310.397 4.304 50 0 DIAARO C[C@H](c1ccncn1)[N@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000215057769 1044340912 /nfs/dbraw/zinc/34/09/12/1044340912.db2.gz VRQQISIYANVXLG-QGZVFWFLSA-N 1 0 317.436 4.302 50 0 DIAARO Cc1ncsc1C[NH2+][C@H](Cc1ccccc1C)c1ccco1 ZINC000863984318 1045244288 /nfs/dbraw/zinc/24/42/88/1045244288.db2.gz SIFDWWXUBWAPPZ-MRXNPFEDSA-N 1 0 312.438 4.427 50 0 DIAARO c1ccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000055543232 1046433661 /nfs/dbraw/zinc/43/36/61/1046433661.db2.gz JPLODFOBDGZCQW-UHFFFAOYSA-N 1 0 302.421 4.162 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cccc(Cl)c1Cl ZINC000248087842 1046543383 /nfs/dbraw/zinc/54/33/83/1046543383.db2.gz SXXGGFSUGFMPFD-DAXOMENPSA-N 1 0 314.256 4.291 50 0 DIAARO CC(C)(C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000073740489 1047308712 /nfs/dbraw/zinc/30/87/12/1047308712.db2.gz OWRCRQUGXIDFGO-UHFFFAOYSA-N 1 0 322.452 4.199 50 0 DIAARO COc1ccc(Nc2cc(C)[nH+]c3c(C)ccc(N)c23)cc1OC ZINC000000441078 1047340601 /nfs/dbraw/zinc/34/06/01/1047340601.db2.gz YPRUMAZGRJJKQM-UHFFFAOYSA-N 1 0 323.396 4.195 50 0 DIAARO c1c(C2CCCC2)nnn1C1CC[NH+](C2CCCCCC2)CC1 ZINC000048428361 1047609456 /nfs/dbraw/zinc/60/94/56/1047609456.db2.gz ODQZKOSDLCBWSP-UHFFFAOYSA-N 1 0 316.493 4.295 50 0 DIAARO CCc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000047452388 1047848052 /nfs/dbraw/zinc/84/80/52/1047848052.db2.gz SABALQQDJSFCSS-UHFFFAOYSA-N 1 0 314.454 4.159 50 0 DIAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1ccc2cccc(O)c2n1 ZINC000055270808 1047996679 /nfs/dbraw/zinc/99/66/79/1047996679.db2.gz WYZGRMVLYPAMEO-OAHLLOKOSA-N 1 0 321.424 4.136 50 0 DIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCCCCCC1 ZINC000790091469 1048220360 /nfs/dbraw/zinc/22/03/60/1048220360.db2.gz VADUVINXQMEMBV-UHFFFAOYSA-N 1 0 314.473 4.079 50 0 DIAARO CC(C)(C)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000084169868 1048882319 /nfs/dbraw/zinc/88/23/19/1048882319.db2.gz IPWSLGGNXSCMIG-UHFFFAOYSA-N 1 0 311.351 4.027 50 0 DIAARO c1ccc(C[C@@H]2CCC[N@@H+]2Cc2cccc3cccnc32)cc1 ZINC000071794334 1049677851 /nfs/dbraw/zinc/67/78/51/1049677851.db2.gz QZPDSNOYVBCNNP-FQEVSTJZSA-N 1 0 302.421 4.442 50 0 DIAARO Cc1ccc2c(cc(C[N@@H+]3CCC[C@@H]3c3cccnc3)n2C)c1 ZINC000825206819 1050290242 /nfs/dbraw/zinc/29/02/42/1050290242.db2.gz UWVPRILTRRNTQX-HXUWFJFHSA-N 1 0 305.425 4.219 50 0 DIAARO C[N@H+](Cc1ccncc1)Cc1cccc(OCc2ccccc2)c1 ZINC000183741521 1050494285 /nfs/dbraw/zinc/49/42/85/1050494285.db2.gz XJFMCIXDAHXAJK-UHFFFAOYSA-N 1 0 318.420 4.293 50 0 DIAARO CC(C)(C)C[C@H]([NH2+]Cc1cnccc1Cl)c1cccnc1 ZINC000952868835 1051121870 /nfs/dbraw/zinc/12/18/70/1051121870.db2.gz BDOZEGNPBYPRPZ-INIZCTEOSA-N 1 0 303.837 4.397 50 0 DIAARO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](C)[C@H](C)c2ccncc2)c1 ZINC000952965062 1051122904 /nfs/dbraw/zinc/12/29/04/1051122904.db2.gz BNXAMXWYASBRLG-QGZVFWFLSA-N 1 0 320.440 4.077 50 0 DIAARO CO[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC000952978081 1051123010 /nfs/dbraw/zinc/12/30/10/1051123010.db2.gz PCMJLYHXAQWSRL-HXUWFJFHSA-N 1 0 310.441 4.065 50 0 DIAARO Clc1ccc(CSCCC[NH2+][C@@H]2CCSC2)cc1 ZINC000952970604 1051123513 /nfs/dbraw/zinc/12/35/13/1051123513.db2.gz ANBVYYRMHJEURH-CQSZACIVSA-N 1 0 301.908 4.058 50 0 DIAARO C=Cc1cccc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)c1 ZINC000952961412 1051123539 /nfs/dbraw/zinc/12/35/39/1051123539.db2.gz HNGFGTDGPHIBRK-IBGZPJMESA-N 1 0 313.466 4.337 50 0 DIAARO COc1cccc(C[NH2+][C@@H](CC(C)C)c2cccnc2)c1F ZINC000952980701 1051126203 /nfs/dbraw/zinc/12/62/03/1051126203.db2.gz IATGNUCHZZUYLN-INIZCTEOSA-N 1 0 302.393 4.106 50 0 DIAARO Fc1ccc([C@H](CC[NH2+]Cc2ccccn2)c2ccco2)cc1 ZINC000952987886 1051126242 /nfs/dbraw/zinc/12/62/42/1051126242.db2.gz HHUATIZLESVVDK-SFHVURJKSA-N 1 0 310.372 4.126 50 0 DIAARO CCc1[nH]c2ccc(C[NH2+][C@H](C)Cn3nc(C)cc3C)cc2c1C ZINC000012192782 1056989870 /nfs/dbraw/zinc/98/98/70/1056989870.db2.gz KLYTVZUDSOXNSK-CQSZACIVSA-N 1 0 324.472 4.030 50 0 DIAARO COc1ccc(Oc2cc(C[NH2+][C@@H](C)C3(C)CC3)ccn2)cc1 ZINC000163475095 1057168547 /nfs/dbraw/zinc/16/85/47/1057168547.db2.gz KKVGBPJRWGGVBX-AWEZNQCLSA-N 1 0 312.413 4.161 50 0 DIAARO Cc1nc(C[NH2+][C@@H](C)CCSc2ccc(F)cc2)cs1 ZINC000821864798 1057786745 /nfs/dbraw/zinc/78/67/45/1057786745.db2.gz WQNGLXKJFVCNFB-NSHDSACASA-N 1 0 310.463 4.251 50 0 DIAARO Cc1ccc2c(C)cc(N[C@@H](C)CCn3cccn3)nc2c1C ZINC001529161467 1058629003 /nfs/dbraw/zinc/62/90/03/1058629003.db2.gz KGSOUESTCLHVKC-HNNXBMFYSA-N 1 0 308.429 4.247 50 0 DIAARO c1ccc2c(C[C@@H]3COC[C@H]3[NH2+]C3CCCCCC3)ccnc2c1 ZINC001529191201 1058634520 /nfs/dbraw/zinc/63/45/20/1058634520.db2.gz URKJCXOYYWJGLN-DYESRHJHSA-N 1 0 324.468 4.105 50 0 DIAARO Fc1cccnc1NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC001529195336 1058636309 /nfs/dbraw/zinc/63/63/09/1058636309.db2.gz JZJJZZOINBHZDP-GOSISDBHSA-N 1 0 313.420 4.250 50 0 DIAARO Cc1ccc(C[N@H+](CCOCc2ccccc2)C2CC2)s1 ZINC001506407633 1063506728 /nfs/dbraw/zinc/50/67/28/1063506728.db2.gz PPBNNGSVNHLNIF-UHFFFAOYSA-N 1 0 301.455 4.238 50 0 DIAARO CCCO[C@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001506416773 1063507790 /nfs/dbraw/zinc/50/77/90/1063507790.db2.gz LXAAUMLOYTYFJT-IBGZPJMESA-N 1 0 310.441 4.140 50 0 DIAARO CC(C)([NH2+]Cc1ccccc1)c1cccc(Br)c1 ZINC000095495747 185374167 /nfs/dbraw/zinc/37/41/67/185374167.db2.gz QEIZNLIPAIUZIX-UHFFFAOYSA-N 1 0 304.231 4.474 50 0 DIAARO Cc1nnc([C@H](C)[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000079029826 185147432 /nfs/dbraw/zinc/14/74/32/185147432.db2.gz CZWOQKXIFLMJMK-LBPRGKRZSA-N 1 0 319.836 4.194 50 0 DIAARO CCCC[C@@H](CC)CC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000089953323 185271565 /nfs/dbraw/zinc/27/15/65/185271565.db2.gz CVDKEVGYQIJRAG-MRXNPFEDSA-N 1 0 320.477 4.080 50 0 DIAARO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(-n2cncn2)cc1 ZINC000095419440 185359933 /nfs/dbraw/zinc/35/99/33/185359933.db2.gz XHGVELINQZDQBJ-DYVFJYSZSA-N 1 0 324.453 4.057 50 0 DIAARO Cc1cc([C@H]([NH2+]Cc2cc(C(N)=O)cs2)C(C)C)c(C)s1 ZINC000095427541 185362064 /nfs/dbraw/zinc/36/20/64/185362064.db2.gz FHOHLPDCKBOYEF-OAHLLOKOSA-N 1 0 322.499 4.012 50 0 DIAARO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000095422133 185360718 /nfs/dbraw/zinc/36/07/18/185360718.db2.gz GFPHFTNCCLGADE-SNVBAGLBSA-N 1 0 312.335 4.204 50 0 DIAARO Cc1cnc([C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C2CC2)s1 ZINC000095423343 185361059 /nfs/dbraw/zinc/36/10/59/185361059.db2.gz YJBLNPFFWYQZFC-JKSUJKDBSA-N 1 0 302.418 4.319 50 0 DIAARO O[C@H](C[NH2+][C@H](c1ccccc1)C1CCCCC1)c1ccncc1 ZINC000095462856 185371272 /nfs/dbraw/zinc/37/12/72/185371272.db2.gz IBEIWNMJNNKDNT-WOJBJXKFSA-N 1 0 310.441 4.026 50 0 DIAARO CC(C)CC1(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)CC1 ZINC000095462842 185371308 /nfs/dbraw/zinc/37/13/08/185371308.db2.gz BAKAQURUVBEIRO-GOSISDBHSA-N 1 0 315.436 4.065 50 0 DIAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C3OCCO3)cc2)s1 ZINC000097016951 185397480 /nfs/dbraw/zinc/39/74/80/185397480.db2.gz GRHHXXYSRVNZNP-CYBMUJFWSA-N 1 0 317.454 4.207 50 0 DIAARO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)Oc1ccccn1 ZINC000095472035 185372606 /nfs/dbraw/zinc/37/26/06/185372606.db2.gz PKJPMBLDXCYCPP-KRWDZBQOSA-N 1 0 318.420 4.306 50 0 DIAARO Fc1cccc(F)c1CC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000071764552 191027838 /nfs/dbraw/zinc/02/78/38/191027838.db2.gz KFIYTBMYOWINFK-HNNXBMFYSA-N 1 0 316.395 4.205 50 0 DIAARO Fc1cccc(F)c1CC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000071764553 191027846 /nfs/dbraw/zinc/02/78/46/191027846.db2.gz KFIYTBMYOWINFK-OAHLLOKOSA-N 1 0 316.395 4.205 50 0 DIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(Cl)c1 ZINC000072115539 191038379 /nfs/dbraw/zinc/03/83/79/191038379.db2.gz DDOBEKUQEFUIRQ-INIZCTEOSA-N 1 0 323.868 4.116 50 0 DIAARO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccco3)nc2)cc1 ZINC000072121929 191040975 /nfs/dbraw/zinc/04/09/75/191040975.db2.gz XIGPZDLPKZETPC-KRWDZBQOSA-N 1 0 323.371 4.213 50 0 DIAARO c1ccc(-c2cccc(C[N@@H+]3CCC[C@H]3c3ccccn3)c2)nc1 ZINC000072144306 191052120 /nfs/dbraw/zinc/05/21/20/191052120.db2.gz FXNOQZBISJEMPZ-NRFANRHFSA-N 1 0 315.420 4.481 50 0 DIAARO CC[C@@H]1CN(Cc2cccc3c(C)c(C)[nH]c32)CC[N@@H+]1C(C)C ZINC000072167791 191066690 /nfs/dbraw/zinc/06/66/90/191066690.db2.gz YKUOCGBJIDRBKJ-GOSISDBHSA-N 1 0 313.489 4.089 50 0 DIAARO c1ccc(Oc2ccc(C[NH+]3CC(c4ccncc4)C3)cc2)cc1 ZINC000072172515 191069747 /nfs/dbraw/zinc/06/97/47/191069747.db2.gz ZOCGSZHCJHDKMJ-UHFFFAOYSA-N 1 0 316.404 4.473 50 0 DIAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000072458430 191173208 /nfs/dbraw/zinc/17/32/08/191173208.db2.gz OXXPLWMRLFTGDL-SFHVURJKSA-N 1 0 323.396 4.015 50 0 DIAARO O[C@](CC[NH+]1CCCCC1)(c1ccccc1)C1CCCCC1 ZINC000000968274 180838213 /nfs/dbraw/zinc/83/82/13/180838213.db2.gz HWHLPVGTWGOCJO-HXUWFJFHSA-N 1 0 301.474 4.331 50 0 fda DIAARO C[NH+](C)CCC[C@](C)(O)[C@H](Cc1ccccc1)c1ccccc1 ZINC000002187352 180914563 /nfs/dbraw/zinc/91/45/63/180914563.db2.gz VOSQYSATOBJONB-RTWAWAEBSA-N 1 0 311.469 4.106 50 0 DIAARO CC[C@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000003291324 181001003 /nfs/dbraw/zinc/00/10/03/181001003.db2.gz YQCSRUWKEYPQOD-AWEZNQCLSA-N 1 0 323.440 4.141 50 0 DIAARO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000003347295 181009713 /nfs/dbraw/zinc/00/97/13/181009713.db2.gz FUATWKGLANNDMY-UHFFFAOYSA-N 1 0 315.244 4.196 50 0 DIAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1 ZINC000003904953 181054856 /nfs/dbraw/zinc/05/48/56/181054856.db2.gz GBAHPMMVENBPNR-HZSPNIEDSA-N 1 0 309.837 4.148 50 0 DIAARO C[NH+](C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21 ZINC000004003079 181061554 /nfs/dbraw/zinc/06/15/54/181061554.db2.gz OCVHNRLYRKDDFL-UHFFFAOYSA-N 1 0 320.223 4.370 50 0 in-vitro DIAARO CCc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000004199062 181084853 /nfs/dbraw/zinc/08/48/53/181084853.db2.gz DZXVFHWLACRDDI-UHFFFAOYSA-N 1 0 300.490 4.089 50 0 DIAARO Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)[NH+]1CCCCC1 ZINC000004247769 181087982 /nfs/dbraw/zinc/08/79/82/181087982.db2.gz QJYUEUWLUZNUPR-FQEVSTJZSA-N 1 0 305.425 4.447 50 0 DIAARO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C(C)(C)C ZINC000004264058 181089272 /nfs/dbraw/zinc/08/92/72/181089272.db2.gz IQGBZGOVPLFYRK-CVEARBPZSA-N 1 0 321.505 4.354 50 0 DIAARO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000004264060 181089657 /nfs/dbraw/zinc/08/96/57/181089657.db2.gz FCQJRYIQFHLBRG-SJLPKXTDSA-N 1 0 319.489 4.204 50 0 DIAARO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C(C)(C)C ZINC000004264059 181089687 /nfs/dbraw/zinc/08/96/87/181089687.db2.gz IQGBZGOVPLFYRK-HOTGVXAUSA-N 1 0 321.505 4.354 50 0 DIAARO C(=C/c1ccccc1)\C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315030 181096263 /nfs/dbraw/zinc/09/62/63/181096263.db2.gz BWGBLXITCWGUFZ-RMKNXTFCSA-N 1 0 317.436 4.456 50 0 DIAARO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OC ZINC000004657533 181132816 /nfs/dbraw/zinc/13/28/16/181132816.db2.gz IEUUDUNQQOQHLD-UHFFFAOYSA-N 1 0 305.805 4.037 50 0 DIAARO CCc1ccc(CNc2[nH+]cc(-c3ccc(OC)cc3)n2C)cc1 ZINC000004678464 181135478 /nfs/dbraw/zinc/13/54/78/181135478.db2.gz AEUDGHHZUTXRIK-UHFFFAOYSA-N 1 0 321.424 4.270 50 0 DIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(C)cc3)n2C)cc1 ZINC000004678803 181135911 /nfs/dbraw/zinc/13/59/11/181135911.db2.gz PAYKSKJTPZZDQX-UHFFFAOYSA-N 1 0 321.424 4.406 50 0 DIAARO CC(C)(C)c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000004722800 181142450 /nfs/dbraw/zinc/14/24/50/181142450.db2.gz QFJATPPWQUNLGC-UHFFFAOYSA-N 1 0 316.489 4.023 50 0 DIAARO CC1(C)C[C@@H]([NH2+]CC[C@H](c2ccco2)c2ccccc2)CCO1 ZINC000004834884 181159579 /nfs/dbraw/zinc/15/95/79/181159579.db2.gz MTBSKVFOKRVVFD-ROUUACIJSA-N 1 0 313.441 4.349 50 0 DIAARO CC(=O)c1ccccc1OCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004869885 181166434 /nfs/dbraw/zinc/16/64/34/181166434.db2.gz AKHCKIKZYYLORN-HZPDHXFCSA-N 1 0 303.446 4.026 50 0 DIAARO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000004906201 181171670 /nfs/dbraw/zinc/17/16/70/181171670.db2.gz WSAXRIHUTBRRLL-UHFFFAOYSA-N 1 0 315.244 4.196 50 0 DIAARO Cc1ccc(COc2ccc(C[NH2+]Cc3cccnc3)cc2)cc1 ZINC000004999703 181188018 /nfs/dbraw/zinc/18/80/18/181188018.db2.gz LOGKIPFCZVQZMK-UHFFFAOYSA-N 1 0 318.420 4.259 50 0 DIAARO Cc1cc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1C(C)C ZINC000005006174 181188810 /nfs/dbraw/zinc/18/88/10/181188810.db2.gz AKQJFRFSGLFOOG-OKZBNKHCSA-N 1 0 319.489 4.121 50 0 DIAARO C[NH2+][C@H](C)Cc1ccccc1Sc1ccc(OC)c(OC)c1 ZINC000005371691 181235142 /nfs/dbraw/zinc/23/51/42/181235142.db2.gz LPUQKAJQMWABRE-CYBMUJFWSA-N 1 0 317.454 4.005 50 0 DIAARO OCCC[NH2+][C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000005517667 181252350 /nfs/dbraw/zinc/25/23/50/181252350.db2.gz TYLLJBDLSGZJAU-OAHLLOKOSA-N 1 0 319.857 4.060 50 0 DIAARO CCN(CCC[N@H+](C)[C@@H](C)c1ccccc1F)CC(F)(F)F ZINC000241815985 202468060 /nfs/dbraw/zinc/46/80/60/202468060.db2.gz SERQNEJBSJNFFL-ZDUSSCGKSA-N 1 0 320.374 4.093 50 0 DIAARO Cc1cc2oc(=O)cc(C[NH2+][C@H]3CCCC[C@@H]3C)c2cc1Cl ZINC000006552422 181353228 /nfs/dbraw/zinc/35/32/28/181353228.db2.gz KFVKPVKLMZZWSZ-ZBEGNZNMSA-N 1 0 319.832 4.423 50 0 DIAARO COc1ccc(CC[NH2+]Cc2cc(C)n(CC(C)C)c2C)cc1 ZINC000006650962 181365035 /nfs/dbraw/zinc/36/50/35/181365035.db2.gz BKJOLDXQYJIQJA-UHFFFAOYSA-N 1 0 314.473 4.102 50 0 DIAARO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000007043156 181433672 /nfs/dbraw/zinc/43/36/72/181433672.db2.gz QJKKSFDPFVMOBS-VLIAUNLRSA-N 1 0 318.420 4.406 50 0 DIAARO C[NH+](C)CCCN1c2cc(Cl)ccc2S[C@@H]2C=CC=C[C@H]21 ZINC000252489578 202846328 /nfs/dbraw/zinc/84/63/28/202846328.db2.gz JUIPSBKQGLNCMP-GDBMZVCRSA-N 1 0 320.889 4.067 50 0 DIAARO Brc1ccc2c(C[NH+]3CCCCCC3)c[nH]c2c1 ZINC000257938944 203069436 /nfs/dbraw/zinc/06/94/36/203069436.db2.gz FWPBOFKABUQIIZ-UHFFFAOYSA-N 1 0 307.235 4.306 50 0 DIAARO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000007389241 181460356 /nfs/dbraw/zinc/46/03/56/181460356.db2.gz 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182053059 /nfs/dbraw/zinc/05/30/59/182053059.db2.gz HPZAORFEPNZIPO-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO [NH3+]C[C@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000016806730 182061143 /nfs/dbraw/zinc/06/11/43/182061143.db2.gz TVKRXZWUQPVJLI-AWEZNQCLSA-N 1 0 315.214 4.021 50 0 DIAARO [NH3+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000016806732 182061251 /nfs/dbraw/zinc/06/12/51/182061251.db2.gz TVKRXZWUQPVJLI-CQSZACIVSA-N 1 0 315.214 4.021 50 0 DIAARO Cc1ccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000017207362 182079930 /nfs/dbraw/zinc/07/99/30/182079930.db2.gz SIGAUDSYRBVCJU-UHFFFAOYSA-N 1 0 323.847 4.399 50 0 DIAARO Clc1ccc([C@H]2CCC[N@H+](CCc3cccnc3)C2)cc1 ZINC000019146011 182106162 /nfs/dbraw/zinc/10/61/62/182106162.db2.gz SPPUSGMLRVVNLO-KRWDZBQOSA-N 1 0 300.833 4.157 50 0 DIAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000019228940 182108956 /nfs/dbraw/zinc/10/89/56/182108956.db2.gz SXSJAHLYLRQMLU-APEZIOSESA-N 1 0 309.457 4.255 50 0 DIAARO O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000019691225 182137105 /nfs/dbraw/zinc/13/71/05/182137105.db2.gz CESGBQSBLXNVKX-NRFANRHFSA-N 1 0 303.405 4.177 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000019720624 182138172 /nfs/dbraw/zinc/13/81/72/182138172.db2.gz RVEMFYWIBTYDRD-UHFFFAOYSA-N 1 0 309.331 4.046 50 0 DIAARO CCC1CCC([NH+]2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000019608862 182133687 /nfs/dbraw/zinc/13/36/87/182133687.db2.gz XVJIQVZFLBXBAR-RMKNXTFCSA-N 1 0 312.501 4.286 50 0 DIAARO Cc1ccccc1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000019770207 182144184 /nfs/dbraw/zinc/14/41/84/182144184.db2.gz GUWBSLBRSFIDSA-KRWDZBQOSA-N 1 0 321.424 4.358 50 0 DIAARO Cc1ccccc1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000019770206 182144342 /nfs/dbraw/zinc/14/43/42/182144342.db2.gz GUWBSLBRSFIDSA-QGZVFWFLSA-N 1 0 321.424 4.358 50 0 DIAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[N@@H+]1C[C@H]2C[C@@H]1CCC2 ZINC000019760143 182144498 /nfs/dbraw/zinc/14/44/98/182144498.db2.gz ZFQGFUVSOVUMFE-CJNGLKHVSA-N 1 0 307.397 4.197 50 0 DIAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(-c2ccccc2)cc1 ZINC000019771288 182145061 /nfs/dbraw/zinc/14/50/61/182145061.db2.gz SQSJKDBFOPDVHW-DYESRHJHSA-N 1 0 306.453 4.022 50 0 DIAARO c1coc(C[NH2+]Cc2cccc(OCCc3ccccc3)c2)c1 ZINC000019738002 182141368 /nfs/dbraw/zinc/14/13/68/182141368.db2.gz QVJWSLRIINJCOU-UHFFFAOYSA-N 1 0 307.393 4.191 50 0 DIAARO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000019872186 182159144 /nfs/dbraw/zinc/15/91/44/182159144.db2.gz AIIOQSJZJUEIIZ-MEDUHNTESA-N 1 0 310.224 4.205 50 0 DIAARO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@H](O)c1ccccc1 ZINC000019872190 182159323 /nfs/dbraw/zinc/15/93/23/182159323.db2.gz AIIOQSJZJUEIIZ-ZBEGNZNMSA-N 1 0 310.224 4.205 50 0 DIAARO CCOc1ccc2nc(SCC[NH+]3CCCCC3)sc2c1 ZINC000020096331 182186050 /nfs/dbraw/zinc/18/60/50/182186050.db2.gz GZSUZYNTEMJBJS-UHFFFAOYSA-N 1 0 322.499 4.273 50 0 DIAARO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@H](O)c1ccccc1 ZINC000020312702 182205791 /nfs/dbraw/zinc/20/57/91/182205791.db2.gz YSZXGHITYXCDQV-ZBEGNZNMSA-N 1 0 310.224 4.205 50 0 DIAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000020204861 182197493 /nfs/dbraw/zinc/19/74/93/182197493.db2.gz BPJYMUCQDIIJDJ-CQSZACIVSA-N 1 0 303.475 4.049 50 0 DIAARO CC(C)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000020599801 182236648 /nfs/dbraw/zinc/23/66/48/182236648.db2.gz PDRUCFMANXWUQU-CQSZACIVSA-N 1 0 319.399 4.191 50 0 DIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000021719966 182286597 /nfs/dbraw/zinc/28/65/97/182286597.db2.gz SDOLFJLQWSTLMO-KRWDZBQOSA-N 1 0 322.412 4.019 50 0 DIAARO C1=CC[C@H](CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000023471785 182361631 /nfs/dbraw/zinc/36/16/31/182361631.db2.gz SREOCUTYLOXMPK-SXLOBPIMSA-N 1 0 302.506 4.072 50 0 DIAARO Cc1cc(NCC(C)(C)C[NH+](C)C)nc2cc(Cl)ccc12 ZINC000023550168 182362910 /nfs/dbraw/zinc/36/29/10/182362910.db2.gz POIUGBRJGHHLRJ-UHFFFAOYSA-N 1 0 305.853 4.196 50 0 DIAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000024984027 182396902 /nfs/dbraw/zinc/39/69/02/182396902.db2.gz LZVNZNXDCLTJED-OAHLLOKOSA-N 1 0 321.424 4.245 50 0 DIAARO Cc1c([C@H](C)[NH2+]CCCc2ccccc2)cnn1-c1ccccc1 ZINC000039394445 183018228 /nfs/dbraw/zinc/01/82/28/183018228.db2.gz NWPIUUWEHUJODF-KRWDZBQOSA-N 1 0 319.452 4.464 50 0 DIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)ccc1C)CC(C)C ZINC000040094997 183033447 /nfs/dbraw/zinc/03/34/47/183033447.db2.gz ZVISAEGXWYRPRT-KRWDZBQOSA-N 1 0 319.493 4.181 50 0 DIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)cc1C)CC(C)C ZINC000040103543 183034873 /nfs/dbraw/zinc/03/48/73/183034873.db2.gz DULULSBVESGHNZ-MRXNPFEDSA-N 1 0 323.456 4.012 50 0 DIAARO Clc1cc(Br)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042772264 183306790 /nfs/dbraw/zinc/30/67/90/183306790.db2.gz CBFQHMHLCRGZOA-LLVKDONJSA-N 1 0 318.642 4.014 50 0 DIAARO Clc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042772930 183306921 /nfs/dbraw/zinc/30/69/21/183306921.db2.gz FCZDRDDIGFLXLG-LLVKDONJSA-N 1 0 318.642 4.014 50 0 DIAARO CC[C@H](C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774562 183307910 /nfs/dbraw/zinc/30/79/10/183307910.db2.gz QCMRKGDUFPJXTK-WCQYABFASA-N 1 0 312.251 4.093 50 0 DIAARO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000106544687 194229012 /nfs/dbraw/zinc/22/90/12/194229012.db2.gz AXCDKTZXGSMHMO-FRRDWIJNSA-N 1 0 319.836 4.429 50 0 DIAARO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000106551679 194229841 /nfs/dbraw/zinc/22/98/41/194229841.db2.gz FSIXEABZFZUHLX-OWCLPIDISA-N 1 0 310.441 4.145 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3ccsc3)c2cc1C ZINC000057327534 184033355 /nfs/dbraw/zinc/03/33/55/184033355.db2.gz KTNNCWNPZVUNHU-UHFFFAOYSA-N 1 0 313.422 4.103 50 0 DIAARO OC1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000058053991 184071656 /nfs/dbraw/zinc/07/16/56/184071656.db2.gz RLEFBVZLVSDZTC-UHFFFAOYSA-N 1 0 321.873 4.462 50 0 DIAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)c1c[nH]c2ccccc12 ZINC000058160666 184082238 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ZINC000065431536 184344332 /nfs/dbraw/zinc/34/43/32/184344332.db2.gz BUUASUONKXFGFW-OAHLLOKOSA-N 1 0 303.409 4.454 50 0 DIAARO C[C@H](c1ccc(-c2cnc(Cl)cn2)cc1)[NH+]1CCCCC1 ZINC000065489605 184353342 /nfs/dbraw/zinc/35/33/42/184353342.db2.gz CADJLMVFELUGRD-CYBMUJFWSA-N 1 0 301.821 4.344 50 0 DIAARO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000058157599 256538192 /nfs/dbraw/zinc/53/81/92/256538192.db2.gz NSZJELLPEGWZIX-JXFKEZNVSA-N 1 0 324.468 4.137 50 0 DIAARO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)[C@H](C)[C@@]1(C)O ZINC000239433040 256601763 /nfs/dbraw/zinc/60/17/63/256601763.db2.gz XDCSRNLDRQBFAD-FVESOWDASA-N 1 0 309.453 4.438 50 0 DIAARO CN(Cc1nc(-c2ccccc2)no1)Cc1cccc(Cl)c1 ZINC000008119941 257230254 /nfs/dbraw/zinc/23/02/54/257230254.db2.gz RJIDWQSOEWHSFI-UHFFFAOYSA-N 1 0 313.788 4.022 50 0 DIAARO C[C@@H](c1cccc(-c2ccc3oc(=O)[nH]c3c2)c1)[NH+]1CCCC1 ZINC000426584689 257245822 /nfs/dbraw/zinc/24/58/22/257245822.db2.gz LIDURXDNTMYCGB-ZDUSSCGKSA-N 1 0 308.381 4.357 50 0 DIAARO CC(=O)c1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000426612434 257246368 /nfs/dbraw/zinc/24/63/68/257246368.db2.gz LQSJCQLVUUSACX-UHFFFAOYSA-N 1 0 315.438 4.092 50 0 DIAARO C[C@H](c1ccc(-c2cncc(C(C)(C)O)c2)cc1)[NH+]1CCCC1 ZINC000426360043 257253158 /nfs/dbraw/zinc/25/31/58/257253158.db2.gz YKTMJVXWGLSIAW-OAHLLOKOSA-N 1 0 310.441 4.133 50 0 DIAARO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](C3CC3)C1)CCCO2 ZINC000240744081 257259421 /nfs/dbraw/zinc/25/94/21/257259421.db2.gz HUKQFANVYFWGDT-BHIYHBOVSA-N 1 0 315.457 4.064 50 0 DIAARO O=[N+]1C(c2ccc(-c3ccccc3)cc2)=CN(O)[C@@H]2CCCC[C@H]21 ZINC000334157320 257261867 /nfs/dbraw/zinc/26/18/67/257261867.db2.gz WCTJKYVODWDZRK-RTBURBONSA-N 1 0 321.400 4.447 50 0 DIAARO c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000071828149 184857841 /nfs/dbraw/zinc/85/78/41/184857841.db2.gz HPQCIVPZRQRUDU-HXUWFJFHSA-N 1 0 307.437 4.123 50 0 DIAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(O)cc3)c2c1 ZINC000000081069 331459180 /nfs/dbraw/zinc/45/91/80/331459180.db2.gz ZARIPISOROLMDZ-UHFFFAOYSA-N 1 0 322.364 4.169 50 0 DIAARO C[C@H](c1ccc(-c2n[nH]c(=O)c3ccccc32)cc1)[NH+]1CCCC1 ZINC000534637691 334310052 /nfs/dbraw/zinc/31/00/52/334310052.db2.gz HQOOJVVUCQOEKI-CQSZACIVSA-N 1 0 319.408 4.159 50 0 DIAARO Cc1cccc(-c2nc3ccccc3c(Nc3cc[nH+]cc3)n2)n1 ZINC000038440844 337360530 /nfs/dbraw/zinc/36/05/30/337360530.db2.gz JONFDFIXMPXTRH-UHFFFAOYSA-N 1 0 313.364 4.139 50 0 in-vivo DIAARO COc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000000183659 563228449 /nfs/dbraw/zinc/22/84/49/563228449.db2.gz UKLQDVAMCDQMPL-FZMZJTMJSA-N 1 0 312.251 4.126 50 0 DIAARO Cn1ccnc1CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000077485517 563510918 /nfs/dbraw/zinc/51/09/18/563510918.db2.gz NYTRQTARYSSQAL-CYBMUJFWSA-N 1 0 323.893 4.122 50 0 DIAARO COc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc[n+]21 ZINC000000128070 563221240 /nfs/dbraw/zinc/22/12/40/563221240.db2.gz KPYGTNUSMDIDEK-UHFFFAOYSA-N 1 0 319.409 4.224 50 0 DIAARO C[C@@H](c1ccccc1[C@@](O)(c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000000132436 563221627 /nfs/dbraw/zinc/22/16/27/563221627.db2.gz ZRPJPFSQGQDKDU-GUYCJALGSA-N 1 0 323.358 4.107 50 0 DIAARO CCC[NH+](CCC)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000134439 563222410 /nfs/dbraw/zinc/22/24/10/563222410.db2.gz HFEQTENZBXONEC-KRWDZBQOSA-N 1 0 324.468 4.277 50 0 DIAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1ccc(Cl)cc1Cl ZINC000000316900 563240375 /nfs/dbraw/zinc/24/03/75/563240375.db2.gz VOXVNRCZYRFDLV-LLVKDONJSA-N 1 0 316.228 4.025 50 0 DIAARO COc1ccccc1S[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000000346570 563242759 /nfs/dbraw/zinc/24/27/59/563242759.db2.gz HBUABFKAIXAYRY-KRWDZBQOSA-N 1 0 301.455 4.480 50 0 DIAARO c1ccc(-c2cc(-c3ccccc3)[n+]3c(n2)SCCC3)cc1 ZINC000000389327 563249469 /nfs/dbraw/zinc/24/94/69/563249469.db2.gz YLVHAJPIGKIEFY-UHFFFAOYSA-N 1 0 305.426 4.199 50 0 DIAARO CC[NH+](CC)[C@@H]1C(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1 ZINC000001294317 563280588 /nfs/dbraw/zinc/28/05/88/563280588.db2.gz OEGOERCGICFUBB-MOPGFXCFSA-N 1 0 308.425 4.439 50 0 DIAARO C[NH+](C)C[C@@H]1CCC[C@H](c2ccccc2)[C@]1(O)c1ccccc1 ZINC000096027444 563280682 /nfs/dbraw/zinc/28/06/82/563280682.db2.gz DCTQANNLOUFMPQ-HBMCJLEFSA-N 1 0 309.453 4.020 50 0 DIAARO CC[NH+](CC)[C@@H]1C(=O)Nc2ccc(C)cc2[C@@H]1c1ccccc1 ZINC000001294314 563281125 /nfs/dbraw/zinc/28/11/25/563281125.db2.gz OEGOERCGICFUBB-OALUTQOASA-N 1 0 308.425 4.439 50 0 DIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(F)cc1Cl ZINC000002514914 563305077 /nfs/dbraw/zinc/30/50/77/563305077.db2.gz ZNAYLCICDZEAEY-UHFFFAOYSA-N 1 0 315.775 4.082 50 0 DIAARO O=C(c1ccc(F)cc1F)c1ccccc1C[NH+]1CCCCC1 ZINC000002515531 563305765 /nfs/dbraw/zinc/30/57/65/563305765.db2.gz RATOVUMEHYHWOU-UHFFFAOYSA-N 1 0 315.363 4.182 50 0 DIAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1F ZINC000002515034 563305857 /nfs/dbraw/zinc/30/58/57/563305857.db2.gz UIWOEEYERNHYKP-UHFFFAOYSA-N 1 0 315.363 4.182 50 0 DIAARO CCCC[N@@H+]1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000002600462 563310503 /nfs/dbraw/zinc/31/05/03/563310503.db2.gz PFQSSMKHKLCPPA-FQEVSTJZSA-N 1 0 309.453 4.187 50 0 DIAARO CC[C@@H](C)[NH2+]CCOc1c(Cl)cc(C)cc1Br ZINC000002823190 563314343 /nfs/dbraw/zinc/31/43/43/563314343.db2.gz ASTKMBRWBNIVFC-SNVBAGLBSA-N 1 0 320.658 4.178 50 0 DIAARO CC[NH+](CC)CCOCCOc1ccc(Cl)c2ccccc12 ZINC000002896462 563317513 /nfs/dbraw/zinc/31/75/13/563317513.db2.gz VRNFMFWOAQRBIL-UHFFFAOYSA-N 1 0 321.848 4.230 50 0 DIAARO COCCC[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003002163 563320666 /nfs/dbraw/zinc/32/06/66/563320666.db2.gz HPECOWXNRPSDOW-UHFFFAOYSA-N 1 0 313.869 4.033 50 0 DIAARO FC(F)(F)c1cccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000004980589 563328497 /nfs/dbraw/zinc/32/84/97/563328497.db2.gz JQYDSAVYMCXYTA-HNNXBMFYSA-N 1 0 324.390 4.184 50 0 DIAARO CC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008227248 563345428 /nfs/dbraw/zinc/34/54/28/563345428.db2.gz MTHKTHABVHEUMC-UHFFFAOYSA-N 1 0 305.805 4.037 50 0 DIAARO CCOc1ccc(Br)cc1C[NH2+]C1CCCCC1 ZINC000008324497 563345888 /nfs/dbraw/zinc/34/58/88/563345888.db2.gz HWPKOZOPJLNLQX-UHFFFAOYSA-N 1 0 312.251 4.270 50 0 DIAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000009063091 563351145 /nfs/dbraw/zinc/35/11/45/563351145.db2.gz NUCHEOGWAHVQKI-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO Cc1ccc(Oc2ncccc2C[NH2+]C2CCC2)c(F)c1F ZINC000011822072 563359948 /nfs/dbraw/zinc/35/99/48/563359948.db2.gz UZRXUFGKOSRZDD-UHFFFAOYSA-N 1 0 304.340 4.103 50 0 DIAARO COc1cc(-c2cccs2)cc2c1OCC[N@H+](CC(C)C)C2 ZINC000012040902 563360706 /nfs/dbraw/zinc/36/07/06/563360706.db2.gz AQKFSQLGDSGQER-UHFFFAOYSA-N 1 0 317.454 4.274 50 0 DIAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1C ZINC000012439790 563370071 /nfs/dbraw/zinc/37/00/71/563370071.db2.gz QMRPJUIDZIQDDB-MRXNPFEDSA-N 1 0 315.457 4.149 50 0 DIAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000012475328 563370802 /nfs/dbraw/zinc/37/08/02/563370802.db2.gz BDLOLCFBINXMFP-CQSZACIVSA-N 1 0 305.487 4.349 50 0 DIAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000012593651 563371327 /nfs/dbraw/zinc/37/13/27/563371327.db2.gz GXRVLDPMNOIEEA-OAHLLOKOSA-N 1 0 303.471 4.269 50 0 DIAARO C[C@@H]1C[C@](OC(=O)c2ccccc2)(c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013126278 563377770 /nfs/dbraw/zinc/37/77/70/563377770.db2.gz ADUJECNUNSENPU-CSODHUTKSA-N 1 0 323.436 4.099 50 0 DIAARO Cc1ccc(-c2c[n+](Cc3ccccc3C)c3n2CCC3)cc1 ZINC000013787052 563389239 /nfs/dbraw/zinc/38/92/39/563389239.db2.gz BJCBCOOCGKOJPS-UHFFFAOYSA-N 1 0 303.429 4.054 50 0 DIAARO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000014128609 563396081 /nfs/dbraw/zinc/39/60/81/563396081.db2.gz UVCWCXHGFKCDJW-MUQADHOPSA-N 1 0 302.462 4.126 50 0 DIAARO S=c1n(C[N@@H+]2CCC[C@H]2c2ccccc2)cc2ccccn21 ZINC000014309195 563400230 /nfs/dbraw/zinc/40/02/30/563400230.db2.gz BZGNDVCWURUFSI-KRWDZBQOSA-N 1 0 309.438 4.265 50 0 DIAARO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](C2CCCCC2)C1 ZINC000014972271 563404851 /nfs/dbraw/zinc/40/48/51/563404851.db2.gz FQIRDTIXHWALDZ-LJQANCHMSA-N 1 0 321.892 4.290 50 0 DIAARO Cc1c([C@H](C)[NH2+]Cc2cccc(C)c2)cnn1-c1cccc(F)c1 ZINC000015076212 563407083 /nfs/dbraw/zinc/40/70/83/563407083.db2.gz ARHQORJKOVZFCK-HNNXBMFYSA-N 1 0 323.415 4.479 50 0 DIAARO CCN(CC[NH+](CC)CC)Cc1cccc(Cl)c1Cl ZINC000019632612 563416377 /nfs/dbraw/zinc/41/63/77/563416377.db2.gz CZTIGGQRLHBKKI-UHFFFAOYSA-N 1 0 303.277 4.157 50 0 DIAARO c1csc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027223078 563427448 /nfs/dbraw/zinc/42/74/48/563427448.db2.gz LWDOGHGAUDNPDV-GOSISDBHSA-N 1 0 323.465 4.160 50 0 DIAARO Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)o1 ZINC000027223054 563427555 /nfs/dbraw/zinc/42/75/55/563427555.db2.gz QBNBAAPIRFCEOR-IBGZPJMESA-N 1 0 321.424 4.000 50 0 DIAARO C[NH+](C)Cc1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000027355831 563428118 /nfs/dbraw/zinc/42/81/18/563428118.db2.gz DLDWNPIFGQZNTN-UHFFFAOYSA-N 1 0 303.793 4.046 50 0 DIAARO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CCc1ccccc1 ZINC000070038625 563432236 /nfs/dbraw/zinc/43/22/36/563432236.db2.gz GSIIXTVMAXDVCM-UHFFFAOYSA-N 1 0 319.452 4.164 50 0 DIAARO c1n(Cc2ccccc2)c2ccccc2[n+]1COC1CCCCC1 ZINC000039029426 563460231 /nfs/dbraw/zinc/46/02/31/563460231.db2.gz YFMPGPLBZBXXIO-UHFFFAOYSA-N 1 0 321.444 4.284 50 0 DIAARO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1ccc(-n2cccn2)cc1 ZINC000055370034 563474219 /nfs/dbraw/zinc/47/42/19/563474219.db2.gz HTXDJPFRSXRNHO-KRWDZBQOSA-N 1 0 320.440 4.068 50 0 DIAARO CC(=O)Nc1ccc(C[N@@H+](Cc2ccco2)[C@@H](C)C(C)C)cc1 ZINC000055393432 563475631 /nfs/dbraw/zinc/47/56/31/563475631.db2.gz BYRCAGPYYGSQTB-HNNXBMFYSA-N 1 0 314.429 4.285 50 0 DIAARO CC(=O)c1ccc(C[N@H+](C)CCOc2ccc(C)cc2C)cc1 ZINC000055404344 563475753 /nfs/dbraw/zinc/47/57/53/563475753.db2.gz SEZDXSGOWDMHJH-UHFFFAOYSA-N 1 0 311.425 4.017 50 0 DIAARO CSc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000055542889 563476631 /nfs/dbraw/zinc/47/66/31/563476631.db2.gz ZBJVJAVXHLRPPY-UHFFFAOYSA-N 1 0 312.482 4.039 50 0 DIAARO Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000058158235 563478823 /nfs/dbraw/zinc/47/88/23/563478823.db2.gz YKSCEPFGRIDONN-SFHVURJKSA-N 1 0 307.397 4.315 50 0 DIAARO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OC(C)C)cc2)on1 ZINC000064666867 563485989 /nfs/dbraw/zinc/48/59/89/563485989.db2.gz ITPSZIXJMCIDKZ-KRWDZBQOSA-N 1 0 300.402 4.107 50 0 DIAARO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC(C)C)cc2)on1 ZINC000064666869 563486454 /nfs/dbraw/zinc/48/64/54/563486454.db2.gz ITPSZIXJMCIDKZ-QGZVFWFLSA-N 1 0 300.402 4.107 50 0 DIAARO Cc1n[nH]c(C)c1[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000067589019 563487956 /nfs/dbraw/zinc/48/79/56/563487956.db2.gz LNCGTHGIMSRNET-MRXNPFEDSA-N 1 0 320.440 4.282 50 0 DIAARO Cc1ccsc1C[N@@H+]1CCc2nc[nH]c2[C@@H]1Cc1ccccc1 ZINC000067676351 563488594 /nfs/dbraw/zinc/48/85/94/563488594.db2.gz XSHIXCGMPMWBHJ-KRWDZBQOSA-N 1 0 323.465 4.122 50 0 DIAARO CC1(C)CC(O)(c2ccc(-c3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000095918206 563530836 /nfs/dbraw/zinc/53/08/36/563530836.db2.gz BWOGLTZGADVQDG-UHFFFAOYSA-N 1 0 309.453 4.482 50 0 DIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000097522153 563540037 /nfs/dbraw/zinc/54/00/37/563540037.db2.gz JTDNEMNMOIDGFP-MJICGBHWSA-N 1 0 312.413 4.150 50 0 DIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000097660409 563540989 /nfs/dbraw/zinc/54/09/89/563540989.db2.gz SGHKDPWAQBHIGK-LJQANCHMSA-N 1 0 308.425 4.025 50 0 DIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(c2ncncc2C)CC1 ZINC000097681724 563542014 /nfs/dbraw/zinc/54/20/14/563542014.db2.gz WQZQHLFAIFYLLK-FOWTUZBSSA-N 1 0 307.441 4.068 50 0 DIAARO CC(C)[NH2+]CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000005613977 563624866 /nfs/dbraw/zinc/62/48/66/563624866.db2.gz PSCKKPRJGLJAKJ-UHFFFAOYSA-N 1 0 305.368 4.069 50 0 DIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000000240107 563627716 /nfs/dbraw/zinc/62/77/16/563627716.db2.gz WRFXSTWJCZREFK-HXUWFJFHSA-N 1 0 323.436 4.129 50 0 DIAARO COc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)cc1 ZINC000000172179 563628433 /nfs/dbraw/zinc/62/84/33/563628433.db2.gz DLJJKIZNSKJNOR-UHFFFAOYSA-N 1 0 307.393 4.147 50 0 DIAARO CCC[NH+]1CCC(NC(c2ccccc2)c2ccccc2)CC1 ZINC000001229351 563633538 /nfs/dbraw/zinc/63/35/38/563633538.db2.gz JJNZFLXRPKBZEC-UHFFFAOYSA-N 1 0 308.469 4.240 50 0 DIAARO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OC ZINC000004685492 563636918 /nfs/dbraw/zinc/63/69/18/563636918.db2.gz OIZURHRJPUGRBZ-UHFFFAOYSA-N 1 0 315.457 4.008 50 0 DIAARO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000102509434 563660220 /nfs/dbraw/zinc/66/02/20/563660220.db2.gz GJPPZKHLUMREPU-WDEREUQCSA-N 1 0 315.244 4.052 50 0 DIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2ccccc2c1 ZINC000046989102 563678218 /nfs/dbraw/zinc/67/82/18/563678218.db2.gz JKWFHALVACQKHQ-QGZVFWFLSA-N 1 0 324.468 4.224 50 0 DIAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc3ccccc3c2)C1 ZINC000046991101 563678261 /nfs/dbraw/zinc/67/82/61/563678261.db2.gz PGKDAOYXJNVSOK-QGZVFWFLSA-N 1 0 324.468 4.082 50 0 DIAARO CCOC[C@H]1CCC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000107052904 563682813 /nfs/dbraw/zinc/68/28/13/563682813.db2.gz LIRONJMOSQYXJR-CVEARBPZSA-N 1 0 314.429 4.151 50 0 DIAARO C[N@H+](CCc1ccccn1)Cc1ccc([C@H]2CCCCO2)s1 ZINC000215236690 563703998 /nfs/dbraw/zinc/70/39/98/563703998.db2.gz PPUBUBNEFOVJGZ-QGZVFWFLSA-N 1 0 316.470 4.059 50 0 DIAARO Clc1cnccc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000215069667 563704072 /nfs/dbraw/zinc/70/40/72/563704072.db2.gz RPEJDNOCRZLESO-QGZVFWFLSA-N 1 0 315.848 4.117 50 0 DIAARO COc1cccc2ccc(C[N@@H+]3CC[C@@H]3c3ccccc3)nc21 ZINC000216185425 563708288 /nfs/dbraw/zinc/70/82/88/563708288.db2.gz NIPVCSHBMQOEGE-GOSISDBHSA-N 1 0 304.393 4.190 50 0 DIAARO CC(C)c1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)on1 ZINC000216123666 563708506 /nfs/dbraw/zinc/70/85/06/563708506.db2.gz UOCKWWJZCYZBCW-UHFFFAOYSA-N 1 0 324.428 4.054 50 0 DIAARO C[NH2+]CCCN1c2ccccc2CCc2ccc(Cl)cc21 ZINC000002570877 563736655 /nfs/dbraw/zinc/73/66/55/563736655.db2.gz VPIXQGUBUKFLRF-UHFFFAOYSA-N 1 0 300.833 4.186 50 0 world DIAARO c1csc([C@H]2CCN2Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000223832272 563737358 /nfs/dbraw/zinc/73/73/58/563737358.db2.gz IMLQIDWHBJYQBU-MRXNPFEDSA-N 1 0 318.511 4.352 50 0 DIAARO COc1ccc(C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)cc1 ZINC000028925817 563757763 /nfs/dbraw/zinc/75/77/63/563757763.db2.gz GVLVXFBDZXTPIS-CYBMUJFWSA-N 1 0 311.381 4.301 50 0 DIAARO C[C@H]([NH2+]C[C@H](O)c1ccsc1)C1(c2ccccc2)CCCC1 ZINC000225566192 563758764 /nfs/dbraw/zinc/75/87/64/563758764.db2.gz IAWLZWWTFKQTMF-YJBOKZPZSA-N 1 0 315.482 4.272 50 0 DIAARO c1cc(N2CCCCC2)ncc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000225790415 563763454 /nfs/dbraw/zinc/76/34/54/563763454.db2.gz YELSHEXUMFQFKV-UHFFFAOYSA-N 1 0 313.489 4.130 50 0 DIAARO c1csc(C[NH2+]Cc2cccnc2N2CCCCCCC2)c1 ZINC000012387066 563764737 /nfs/dbraw/zinc/76/47/37/563764737.db2.gz XHMATBPCVHGDHY-UHFFFAOYSA-N 1 0 315.486 4.203 50 0 DIAARO CCc1cc(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)on1 ZINC000242178858 563778141 /nfs/dbraw/zinc/77/81/41/563778141.db2.gz XBMNZHBUKZOYRA-XLIONFOSSA-N 1 0 312.457 4.171 50 0 DIAARO Cc1cnccc1C[N@H+](C/C=C/c1ccccc1)C[C@@H]1CCCO1 ZINC000252479309 563783828 /nfs/dbraw/zinc/78/38/28/563783828.db2.gz BCUDEFRCHRMFKG-OWLMGLOSSA-N 1 0 322.452 4.084 50 0 DIAARO COc1ccc(C[NH2+][C@@H](c2cccs2)C(C)C)c(OC)c1 ZINC000035016958 563795575 /nfs/dbraw/zinc/79/55/75/563795575.db2.gz AHFIUEXVCGUSMJ-QGZVFWFLSA-N 1 0 305.443 4.252 50 0 DIAARO C[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000001229350 563802904 /nfs/dbraw/zinc/80/29/04/563802904.db2.gz GBUUCRUNSONKDL-GOSISDBHSA-N 1 0 308.469 4.044 50 0 DIAARO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1(O)CCCCC1 ZINC000087017580 563809329 /nfs/dbraw/zinc/80/93/29/563809329.db2.gz UCDNFBOCWLUZGI-LBPRGKRZSA-N 1 0 310.507 4.095 50 0 DIAARO Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2)C2CC2)cc1 ZINC000012679028 563809406 /nfs/dbraw/zinc/80/94/06/563809406.db2.gz DMSUQMWEYKZPOX-HNAYVOBHSA-N 1 0 308.425 4.063 50 0 DIAARO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000012674825 563809430 /nfs/dbraw/zinc/80/94/30/563809430.db2.gz YPENNPBZNWFSLJ-BEFAXECRSA-N 1 0 308.425 4.063 50 0 DIAARO Cc1ccc(C(C)(C)C)c(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020167953 563842972 /nfs/dbraw/zinc/84/29/72/563842972.db2.gz FMWUSLYWNUBRIU-IRXDYDNUSA-N 1 0 319.489 4.171 50 0 DIAARO CC[C@@H](C)c1ccccc1OCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020167729 563843032 /nfs/dbraw/zinc/84/30/32/563843032.db2.gz LIMGGLWMINDYAX-ZACQAIPSSA-N 1 0 305.462 4.078 50 0 DIAARO COc1cc([C@@H](C)[NH2+]Cc2cc[nH]c2)ccc1OC1CCCC1 ZINC000086251088 563844693 /nfs/dbraw/zinc/84/46/93/563844693.db2.gz VHOFEDYUNGZAIK-CQSZACIVSA-N 1 0 314.429 4.196 50 0 DIAARO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000012898242 563852556 /nfs/dbraw/zinc/85/25/56/563852556.db2.gz GLYKJIZWDLEJQV-AWEZNQCLSA-N 1 0 323.392 4.412 50 0 DIAARO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000012898246 563852815 /nfs/dbraw/zinc/85/28/15/563852815.db2.gz GLYKJIZWDLEJQV-CQSZACIVSA-N 1 0 323.392 4.412 50 0 DIAARO CCc1ccccc1C(OCC[NH+](C)C)c1ccccc1CC ZINC000075273661 563862215 /nfs/dbraw/zinc/86/22/15/563862215.db2.gz XSQMGCPBCJSYEX-UHFFFAOYSA-N 1 0 311.469 4.479 50 0 DIAARO Cc1nnc(CN(Cc2ccc(Cl)c(Cl)c2)C(C)C)o1 ZINC000052189705 563875604 /nfs/dbraw/zinc/87/56/04/563875604.db2.gz HWSSEHVQXSVLGN-UHFFFAOYSA-N 1 0 314.216 4.095 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1cccc(F)c1F ZINC000090963236 563877280 /nfs/dbraw/zinc/87/72/80/563877280.db2.gz ZBSMHWSBTYWNHW-QWHCGFSZSA-N 1 0 304.384 4.443 50 0 DIAARO CCCC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245253795 563881488 /nfs/dbraw/zinc/88/14/88/563881488.db2.gz QTHAUWJPWFOHHC-SFUIVIKGSA-N 1 0 314.473 4.355 50 0 DIAARO CCCCN1C(=O)c2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000248208404 563883177 /nfs/dbraw/zinc/88/31/77/563883177.db2.gz BZTJMQNXRYPGBG-OSGQAZFXSA-N 1 0 314.473 4.355 50 0 DIAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)Cc1ccccc1 ZINC000036097432 563892761 /nfs/dbraw/zinc/89/27/61/563892761.db2.gz PXKFWSJEHYMLMF-OAQYLSRUSA-N 1 0 311.469 4.119 50 0 DIAARO CCC[C@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101962 563893411 /nfs/dbraw/zinc/89/34/11/563893411.db2.gz KKDIXXFVPBXLIQ-FQEVSTJZSA-N 1 0 315.432 4.297 50 0 DIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)c2ccccc2)s1 ZINC000036100921 563893842 /nfs/dbraw/zinc/89/38/42/563893842.db2.gz ZNGOGRBYNVWEIA-SFHVURJKSA-N 1 0 303.471 4.248 50 0 DIAARO CC[C@H](C)[N@@H+](Cc1ccccc1C)C[C@H](O)Cc1ccccc1 ZINC000036104514 563894205 /nfs/dbraw/zinc/89/42/05/563894205.db2.gz NSMKTUCXBGRVII-GHTZIAJQSA-N 1 0 311.469 4.199 50 0 DIAARO C[C@H](O)C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000249060290 563894239 /nfs/dbraw/zinc/89/42/39/563894239.db2.gz ZUHBDXZYTDQOMA-CDXJDZJCSA-N 1 0 324.468 4.078 50 0 DIAARO Cc1scc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1C ZINC000006797692 563894834 /nfs/dbraw/zinc/89/48/34/563894834.db2.gz KJPRGFWKGULMCU-UHFFFAOYSA-N 1 0 314.498 4.304 50 0 DIAARO CC(C)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000007380733 563905730 /nfs/dbraw/zinc/90/57/30/563905730.db2.gz TUFJIZKCVIONJR-INIZCTEOSA-N 1 0 310.441 4.269 50 0 DIAARO Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000013325200 563909695 /nfs/dbraw/zinc/90/96/95/563909695.db2.gz MHIJBYINOOLPPS-UHFFFAOYSA-N 1 0 309.413 4.235 50 0 DIAARO Cc1nccn1Cc1cccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000089735793 563911158 /nfs/dbraw/zinc/91/11/58/563911158.db2.gz YJPVRLDAPPWLSE-CQSZACIVSA-N 1 0 311.454 4.152 50 0 DIAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000076056342 563912135 /nfs/dbraw/zinc/91/21/35/563912135.db2.gz UCZCMIPOXXIESO-FTRWYGJKSA-N 1 0 324.468 4.137 50 0 DIAARO O[C@H](C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000014929246 563914899 /nfs/dbraw/zinc/91/48/99/563914899.db2.gz RNYDSULXEGZJTK-IAGOWNOFSA-N 1 0 324.449 4.167 50 0 DIAARO CC[C@H](C)[C@@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1C ZINC000003199774 563915789 /nfs/dbraw/zinc/91/57/89/563915789.db2.gz NEKPQBPYJZRPBN-QFBILLFUSA-N 1 0 319.489 4.400 50 0 DIAARO C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CCCCC2)c2ncccn2)C[C@H](C)O1 ZINC000252511354 563916469 /nfs/dbraw/zinc/91/64/69/563916469.db2.gz FUGGCXDPELKHPD-MVJTYMMSSA-N 1 0 317.477 4.034 50 0 DIAARO Cc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 ZINC000054669997 563917091 /nfs/dbraw/zinc/91/70/91/563917091.db2.gz KPDOALIYWITQTG-LJQANCHMSA-N 1 0 319.404 4.439 50 0 DIAARO Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc2c1 ZINC000054669999 563917107 /nfs/dbraw/zinc/91/71/07/563917107.db2.gz KPDOALIYWITQTG-IBGZPJMESA-N 1 0 319.404 4.439 50 0 DIAARO CCCC[NH+](CCCC)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000002240921 563920737 /nfs/dbraw/zinc/92/07/37/563920737.db2.gz MCCDFHPCEXWMOB-UHFFFAOYSA-N 1 0 317.429 4.209 50 0 biogenic DIAARO O=[n+]1c2ccccc2n(O)c(-c2ccccc2)c1-c1ccccc1 ZINC000111459247 563924217 /nfs/dbraw/zinc/92/42/17/563924217.db2.gz WDCWFAUHBJYYCE-UHFFFAOYSA-N 1 0 315.352 4.127 50 0 DIAARO Cc1cnc([C@H](C)[NH2+]CCn2ccc3cc(Cl)ccc32)s1 ZINC000253418883 563925091 /nfs/dbraw/zinc/92/50/91/563925091.db2.gz CBRYUDRGUZEWIM-LBPRGKRZSA-N 1 0 319.861 4.410 50 0 DIAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012659212 563928976 /nfs/dbraw/zinc/92/89/76/563928976.db2.gz ZSTQCIVAAMTXKR-YQYWIAHVSA-N 1 0 319.533 4.320 50 0 biogenic DIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccc2cc[nH]c2c1 ZINC000055343760 563929135 /nfs/dbraw/zinc/92/91/35/563929135.db2.gz XIZNNTQEVUAPJT-UHFFFAOYSA-N 1 0 319.408 4.016 50 0 DIAARO Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000095356508 563931088 /nfs/dbraw/zinc/93/10/88/563931088.db2.gz ODBXLKDHBXNKCO-NBQZKYEYSA-N 1 0 309.457 4.339 50 0 DIAARO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000095420159 563931309 /nfs/dbraw/zinc/93/13/09/563931309.db2.gz BUHOETIKGKRJSY-OAHLLOKOSA-N 1 0 311.454 4.152 50 0 DIAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000095960857 563932494 /nfs/dbraw/zinc/93/24/94/563932494.db2.gz UCEBJRYNJBAOGW-HPEDKQMDSA-N 1 0 313.363 4.170 50 0 DIAARO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000095967667 563932883 /nfs/dbraw/zinc/93/28/83/563932883.db2.gz ZESTVLWMCNLWIS-IAOVAPTHSA-N 1 0 303.450 4.043 50 0 DIAARO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc2ccccc2o1 ZINC000095968314 563933225 /nfs/dbraw/zinc/93/32/25/563933225.db2.gz PLLXCXITFDWIDE-SJKOYZFVSA-N 1 0 301.411 4.053 50 0 DIAARO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000095969296 563933429 /nfs/dbraw/zinc/93/34/29/563933429.db2.gz MAWCCNLOHOTERM-HNNXBMFYSA-N 1 0 301.434 4.022 50 0 DIAARO COC[C@@H](C)[NH2+]C1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000095983715 563933885 /nfs/dbraw/zinc/93/38/85/563933885.db2.gz VOVFFWMNIQQVDD-XEBKBJJBSA-N 1 0 313.894 4.368 50 0 DIAARO CC(C)(C)[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc2ccccc2o1 ZINC000095996222 563934357 /nfs/dbraw/zinc/93/43/57/563934357.db2.gz HMYDAORUHYSJSZ-RDTXWAMCSA-N 1 0 313.397 4.436 50 0 DIAARO CCO[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C12CCC2 ZINC000095991291 563934505 /nfs/dbraw/zinc/93/45/05/563934505.db2.gz HJBOLBKDYODKDQ-DQVOVIAYSA-N 1 0 303.421 4.009 50 0 DIAARO Cc1ccc(C(C)(C)C)cc1SCCC[NH+]1CCN(C)CC1 ZINC000096003418 563934686 /nfs/dbraw/zinc/93/46/86/563934686.db2.gz PCMPCYYYQFLUMH-UHFFFAOYSA-N 1 0 320.546 4.022 50 0 DIAARO O=C1c2ccccc2CC[C@@H]1C[NH2+]CCCCc1ccccc1 ZINC000096026844 563935093 /nfs/dbraw/zinc/93/50/93/563935093.db2.gz ZWGLBJGWHOACNS-LJQANCHMSA-N 1 0 307.437 4.044 50 0 DIAARO O=C1c2ccccc2CC[C@H]1C[NH2+]CCCCc1ccccc1 ZINC000096026843 563935118 /nfs/dbraw/zinc/93/51/18/563935118.db2.gz ZWGLBJGWHOACNS-IBGZPJMESA-N 1 0 307.437 4.044 50 0 DIAARO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1F ZINC000096479129 563937479 /nfs/dbraw/zinc/93/74/79/563937479.db2.gz QZVPVJIFTPPAJL-STQMWFEESA-N 1 0 313.376 4.325 50 0 DIAARO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1F ZINC000096479133 563937506 /nfs/dbraw/zinc/93/75/06/563937506.db2.gz QZVPVJIFTPPAJL-QWHCGFSZSA-N 1 0 313.376 4.325 50 0 DIAARO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C)c1 ZINC000003140926 563942528 /nfs/dbraw/zinc/94/25/28/563942528.db2.gz OXIANEDSBSKEQN-IBGZPJMESA-N 1 0 322.452 4.215 50 0 DIAARO CC(C)c1cccc(C(C)C)c1OCC[NH2+]C[C@@H]1CCCO1 ZINC000003247037 563943089 /nfs/dbraw/zinc/94/30/89/563943089.db2.gz IIHNAEJGWJXMQS-INIZCTEOSA-N 1 0 305.462 4.081 50 0 DIAARO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000038151516 563946669 /nfs/dbraw/zinc/94/66/69/563946669.db2.gz WKBJWURPBIOZIL-CQSZACIVSA-N 1 0 314.404 4.238 50 0 DIAARO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(C)c1 ZINC000008267767 563947338 /nfs/dbraw/zinc/94/73/38/563947338.db2.gz YIAGVNLOFHZFER-QZTJIDSGSA-N 1 0 314.473 4.062 50 0 DIAARO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C)c1ccccc1 ZINC000009217984 563954099 /nfs/dbraw/zinc/95/40/99/563954099.db2.gz NSKDBIAUYCFUDG-LPHOPBHVSA-N 1 0 310.441 4.453 50 0 DIAARO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1F)c1ccccc1 ZINC000009516828 563956583 /nfs/dbraw/zinc/95/65/83/563956583.db2.gz CHHDCMJGHBBNQU-RHSMWYFYSA-N 1 0 314.404 4.284 50 0 DIAARO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009516831 563956643 /nfs/dbraw/zinc/95/66/43/563956643.db2.gz BPOLBYLBIPESAE-KDOFPFPSSA-N 1 0 314.404 4.284 50 0 DIAARO Cc1c(O)ccc2c(C[N@@H+](C)[C@@H](C)c3ccccc3)cc(=O)oc12 ZINC000012979311 568418546 /nfs/dbraw/zinc/41/85/46/568418546.db2.gz OCUVKVIVKKZXSB-AWEZNQCLSA-N 1 0 323.392 4.000 50 0 DIAARO C/C(=C\c1ccccc1)CN(CC[NH+](C)C)Cc1ccccc1 ZINC000022586714 1038074681 /nfs/dbraw/zinc/07/46/81/1038074681.db2.gz UEQXQPNZXVXZOW-KNTRCKAVSA-N 1 0 308.469 4.154 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000022780826 1038377322 /nfs/dbraw/zinc/37/73/22/1038377322.db2.gz SDPUJZCHSFLDDN-UHOFOFEASA-N 1 0 314.256 4.291 50 0 DIAARO Brc1ccc(OCCCCC[NH+]2CCCC2)cc1 ZINC000002885580 1038730518 /nfs/dbraw/zinc/73/05/18/1038730518.db2.gz LIRLITYHVMOSEB-UHFFFAOYSA-N 1 0 312.251 4.094 50 0 DIAARO c1sc(-c2ccccc2)nc1C[n+]1ccc2c(c1)CCCC2 ZINC000072554153 1039314582 /nfs/dbraw/zinc/31/45/82/1039314582.db2.gz FROBPRGGCNNWGU-UHFFFAOYSA-N 1 0 307.442 4.025 50 0 DIAARO CC[C@@H](C)[NH2+]CCOc1ccc2ccccc2c1Br ZINC000002822802 1041177919 /nfs/dbraw/zinc/17/79/19/1041177919.db2.gz JFELWGTXQIMGPO-GFCCVEGCSA-N 1 0 322.246 4.369 50 0 DIAARO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc2c(c1)CCO2 ZINC000180972703 1041237508 /nfs/dbraw/zinc/23/75/08/1041237508.db2.gz KLWLOQOMKTVYRV-OAHLLOKOSA-N 1 0 323.436 4.404 50 0 DIAARO COc1ccc2oc([C@@H](C)[NH2+]Cc3cccnc3C)c(C)c2c1 ZINC000106472360 1041406688 /nfs/dbraw/zinc/40/66/88/1041406688.db2.gz SKDURNCCQJOIDX-CQSZACIVSA-N 1 0 310.397 4.304 50 0 DIAARO c1csc(CCOc2cccc(C[NH2+]C3CCCC3)c2)c1 ZINC000299792475 1041824984 /nfs/dbraw/zinc/82/49/84/1041824984.db2.gz FGMBJPGBFHGCAI-UHFFFAOYSA-N 1 0 301.455 4.402 50 0 DIAARO CC1(c2ccc(F)cc2)CC([NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000585083670 1042201165 /nfs/dbraw/zinc/20/11/65/1042201165.db2.gz AEIDTMKFLLBJGO-FNMUINPESA-N 1 0 311.400 4.012 50 0 DIAARO Cc1ccc([C@@H]2C[N@H+](CCCc3cnccc3C)CCO2)c(C)c1 ZINC000585084323 1042203221 /nfs/dbraw/zinc/20/32/21/1042203221.db2.gz BYSJMIIVROAHCT-NRFANRHFSA-N 1 0 324.468 4.013 50 0 DIAARO Cc1ccc([C@H]2C[N@H+](CCCc3cnccc3C)CCO2)c(C)c1 ZINC000585084327 1042203334 /nfs/dbraw/zinc/20/33/34/1042203334.db2.gz BYSJMIIVROAHCT-OAQYLSRUSA-N 1 0 324.468 4.013 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccccc2F)c2ccccc12 ZINC000888096504 1042263448 /nfs/dbraw/zinc/26/34/48/1042263448.db2.gz YSEHHDWFDCPPSZ-UHFFFAOYSA-N 1 0 309.384 4.320 50 0 DIAARO C[N@H+](CC[C@H]1CCCCO1)Cc1ccc2cccc(Cl)c2n1 ZINC000215979082 1044341332 /nfs/dbraw/zinc/34/13/32/1044341332.db2.gz MZNDLRKVZFNVNO-MRXNPFEDSA-N 1 0 318.848 4.279 50 0 DIAARO C/C=C/c1ccc(OCCCC[NH2+]Cc2ccco2)c(OC)c1 ZINC000003247049 1044648437 /nfs/dbraw/zinc/64/84/37/1044648437.db2.gz NWVPNPNECCSPDP-XVNBXDOJSA-N 1 0 315.413 4.270 50 0 DIAARO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000019952695 1045579215 /nfs/dbraw/zinc/57/92/15/1045579215.db2.gz JICTYILWHXDRCW-OAHLLOKOSA-N 1 0 315.848 4.320 50 0 DIAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1c(C)noc1C ZINC000657933221 1046380483 /nfs/dbraw/zinc/38/04/83/1046380483.db2.gz PRWJOEZLZYRFQF-TVQRCGJNSA-N 1 0 309.360 4.426 50 0 DIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc2ccccc2o1 ZINC000043808888 1050855439 /nfs/dbraw/zinc/85/54/39/1050855439.db2.gz AOSCDMSUYFBQIC-UHFFFAOYSA-N 1 0 320.392 4.281 50 0 DIAARO Cc1ccccc1Oc1ccccc1C[NH2+][C@H](C)c1ccnn1C ZINC000192840208 1051011011 /nfs/dbraw/zinc/01/10/11/1051011011.db2.gz NBVBOZZZWTUWSD-MRXNPFEDSA-N 1 0 321.424 4.372 50 0 DIAARO Cc1cc2cc(NC(=O)[C@H](C)[N@H+](C)C3CCCCC3)ccc2o1 ZINC000952966066 1051124330 /nfs/dbraw/zinc/12/43/30/1051124330.db2.gz DDQBXENPDPPURI-AWEZNQCLSA-N 1 0 314.429 4.333 50 0 DIAARO CO[C@H]1CCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000581803438 1051319153 /nfs/dbraw/zinc/31/91/53/1051319153.db2.gz LWVJPEVUEHIHKM-HNNXBMFYSA-N 1 0 313.363 4.096 50 0 DIAARO CC[C@@H](C)C[N@@H+]1CCOc2ccc([C@@H](O)CC(C)C)cc2C1 ZINC000011910589 1056830907 /nfs/dbraw/zinc/83/09/07/1056830907.db2.gz GFIHLSCKPHFVKK-QAPCUYQASA-N 1 0 305.462 4.007 50 0 DIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000011934129 1056875081 /nfs/dbraw/zinc/87/50/81/1056875081.db2.gz UNTRLKZPASUDRF-PTHHNIJRSA-N 1 0 321.464 4.017 50 0 DIAARO CCCC[C@@H]1C[N@H+](Cc2cccc(C)n2)Cc2ccccc2O1 ZINC000012152046 1056986485 /nfs/dbraw/zinc/98/64/85/1056986485.db2.gz ZGAGXPARIIUOOR-LJQANCHMSA-N 1 0 310.441 4.343 50 0 DIAARO Fc1cccnc1NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC001529195337 1058636553 /nfs/dbraw/zinc/63/65/53/1058636553.db2.gz JZJJZZOINBHZDP-SFHVURJKSA-N 1 0 313.420 4.250 50 0 DIAARO Clc1ccccc1C1([NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC001506398548 1063506339 /nfs/dbraw/zinc/50/63/39/1063506339.db2.gz DYEDGGCHZWCFQU-HNNXBMFYSA-N 1 0 312.844 4.198 50 0 DIAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC001506395962 1063507470 /nfs/dbraw/zinc/50/74/70/1063507470.db2.gz CGFZQBKYORHBDN-INIZCTEOSA-N 1 0 324.468 4.137 50 0 DIAARO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)c3C)CC2)cn1 ZINC001506424749 1063511124 /nfs/dbraw/zinc/51/11/24/1063511124.db2.gz MXJPKJVVHQMUBU-SFHVURJKSA-N 1 0 323.484 4.326 50 0 DIAARO COc1cc2c(cc1OC)[C@H]1C[C@@H](c3ccccc3)CC[N@@H+]1CC2 ZINC000095561613 185380054 /nfs/dbraw/zinc/38/00/54/185380054.db2.gz SPYSWTOTYSJXHH-QFBILLFUSA-N 1 0 323.436 4.181 50 0 DIAARO CSC1(C[NH2+][C@H](C)c2cc(C)c(C)cc2C)CCOCC1 ZINC000090112822 185282710 /nfs/dbraw/zinc/28/27/10/185282710.db2.gz YEPQQJWSXLFBOJ-MRXNPFEDSA-N 1 0 307.503 4.175 50 0 DIAARO CO[C@H](C[NH2+][C@H](C)c1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000090176698 185285029 /nfs/dbraw/zinc/28/50/29/185285029.db2.gz ATZOCFLLZIBIFO-JLTOFOAXSA-N 1 0 324.399 4.412 50 0 DIAARO CC/C(C)=C/CC[NH+]1CCC(c2nccn2CC2CC2)CC1 ZINC000082099843 192356668 /nfs/dbraw/zinc/35/66/68/192356668.db2.gz FVFDZFHUUHPPNX-FZSIALSZSA-N 1 0 301.478 4.219 50 0 DIAARO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000090668035 185308915 /nfs/dbraw/zinc/30/89/15/185308915.db2.gz XIZNDGOJCJZKHV-LSDHHAIUSA-N 1 0 315.486 4.019 50 0 DIAARO COc1cccc2c1CC[C@H]2[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415567 185358721 /nfs/dbraw/zinc/35/87/21/185358721.db2.gz UTHGYKJIKBOBNW-MRXNPFEDSA-N 1 0 314.454 4.196 50 0 DIAARO CCCC1CCC(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000095430568 185362785 /nfs/dbraw/zinc/36/27/85/185362785.db2.gz ZIOFCMHNVSHYQE-GPANFISMSA-N 1 0 320.443 4.067 50 0 DIAARO CC[C@@H]([NH2+]Cc1scnc1C)c1ccc(OC(F)F)cc1 ZINC000095421963 185360656 /nfs/dbraw/zinc/36/06/56/185360656.db2.gz BIKYMOHKIHIPBP-CYBMUJFWSA-N 1 0 312.385 4.294 50 0 DIAARO Cc1ncsc1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000095421971 185360734 /nfs/dbraw/zinc/36/07/34/185360734.db2.gz LSGQHKOWIFGMCD-MRVPVSSYSA-N 1 0 316.348 4.043 50 0 DIAARO CCC(=O)N1CCC([NH2+][C@@H](CC(C)C)c2ccccc2C)CC1 ZINC000095422359 185361003 /nfs/dbraw/zinc/36/10/03/185361003.db2.gz NZFQSETVNRYJDM-IBGZPJMESA-N 1 0 316.489 4.073 50 0 DIAARO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000170687333 197807845 /nfs/dbraw/zinc/80/78/45/197807845.db2.gz IAPFUAGYYDXUDF-STQMWFEESA-N 1 0 317.820 4.397 50 0 DIAARO Cc1ccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)nc1C ZINC000071745859 191019756 /nfs/dbraw/zinc/01/97/56/191019756.db2.gz HFTREHDEMKGQDR-GOSISDBHSA-N 1 0 310.441 4.146 50 0 DIAARO c1ccc(C2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000072133281 191044137 /nfs/dbraw/zinc/04/41/37/191044137.db2.gz HKSVMWUXZKWPRC-LEWJYISDSA-N 1 0 312.501 4.131 50 0 DIAARO c1coc([C@@H]2CCCCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000072145036 191050515 /nfs/dbraw/zinc/05/05/15/191050515.db2.gz OLQIVAAHAOXEMY-INIZCTEOSA-N 1 0 311.385 4.380 50 0 DIAARO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(-c3ccccn3)no2)cc1 ZINC000072149258 191054349 /nfs/dbraw/zinc/05/43/49/191054349.db2.gz PJEKROCXZMQLTG-IBGZPJMESA-N 1 0 323.371 4.213 50 0 DIAARO c1coc(-c2ncc(C[N@@H+]3CCCCC[C@@H]3c3ccco3)cn2)c1 ZINC000072151946 191057071 /nfs/dbraw/zinc/05/70/71/191057071.db2.gz KNVDOFJMSFBVMR-MRXNPFEDSA-N 1 0 323.396 4.447 50 0 DIAARO Fc1ccccc1CC[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000072154281 191059824 /nfs/dbraw/zinc/05/98/24/191059824.db2.gz PRBKIVVMZAJARB-KRWDZBQOSA-N 1 0 312.432 4.108 50 0 DIAARO c1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3c3ccccn3)s2)n[nH]1 ZINC000072156867 191060929 /nfs/dbraw/zinc/06/09/29/191060929.db2.gz NNXFPSQWMYNLOI-KRWDZBQOSA-N 1 0 324.453 4.260 50 0 DIAARO c1cc(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cs1 ZINC000072164132 191064109 /nfs/dbraw/zinc/06/41/09/191064109.db2.gz QLGMAMFYLYOTSM-AWEZNQCLSA-N 1 0 311.454 4.079 50 0 DIAARO CC[C@H]1CN(Cc2cccc3c(C)c(C)[nH]c32)CC[N@@H+]1C(C)C ZINC000072167792 191065984 /nfs/dbraw/zinc/06/59/84/191065984.db2.gz YKUOCGBJIDRBKJ-SFHVURJKSA-N 1 0 313.489 4.089 50 0 DIAARO CC(C)(C)c1ncc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cn1 ZINC000253393909 186303512 /nfs/dbraw/zinc/30/35/12/186303512.db2.gz GSFJBRKVSCKSNJ-UHFFFAOYSA-N 1 0 323.362 4.083 50 0 DIAARO CCc1ncc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cn1 ZINC000072423654 191158603 /nfs/dbraw/zinc/15/86/03/191158603.db2.gz RQWBMCOQEHIQOU-LJQANCHMSA-N 1 0 309.457 4.026 50 0 DIAARO COC(=O)c1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1 ZINC000000122851 180699949 /nfs/dbraw/zinc/69/99/49/180699949.db2.gz BTWXBFBTXWEILR-UHFFFAOYSA-N 1 0 318.376 4.254 50 0 DIAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc4c(c3)OCO4)c2c1 ZINC000000149802 180709349 /nfs/dbraw/zinc/70/93/49/180709349.db2.gz QSEGWKFXAUKLFA-UHFFFAOYSA-N 1 0 322.364 4.414 50 0 DIAARO COc1ccccc1S[C@H](CC[NH+](C)C)c1ccccc1 ZINC000000346571 180762655 /nfs/dbraw/zinc/76/26/55/180762655.db2.gz HBUABFKAIXAYRY-QGZVFWFLSA-N 1 0 301.455 4.480 50 0 DIAARO C[NH+](C)CCCOC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002813216 180961329 /nfs/dbraw/zinc/96/13/29/180961329.db2.gz ONJSBCBLDXTBGY-UHFFFAOYSA-N 1 0 319.489 4.390 50 0 DIAARO [NH2+]=C(COc1cc(Cl)ccc1Cl)NCCc1ccccc1 ZINC000003151919 180986803 /nfs/dbraw/zinc/98/68/03/180986803.db2.gz QCFZDLXGWYAPFM-UHFFFAOYSA-N 1 0 323.223 4.182 50 0 DIAARO Cc1ccc(-c2cn3c([n+]2-c2ccccc2C)SCC3)cc1 ZINC000003289637 181000825 /nfs/dbraw/zinc/00/08/25/181000825.db2.gz BSBSHDCXRFHDPR-UHFFFAOYSA-N 1 0 307.442 4.154 50 0 DIAARO Cc1[nH]c2ccccc2c1C(=O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000003335728 181007780 /nfs/dbraw/zinc/00/77/80/181007780.db2.gz YNCYOIVUOAIOFH-GOSISDBHSA-N 1 0 318.420 4.326 50 0 DIAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000004030972 181065021 /nfs/dbraw/zinc/06/50/21/181065021.db2.gz OYNHPMMPKUTFQD-OKZBNKHCSA-N 1 0 319.489 4.121 50 0 DIAARO C[NH+](C)Cc1ccccc1C(O)(c1ccccc1)c1ccccc1 ZINC000004006117 181061569 /nfs/dbraw/zinc/06/15/69/181061569.db2.gz YYAQPHUOVOIUGK-UHFFFAOYSA-N 1 0 317.432 4.032 50 0 DIAARO COc1ccc(N2CCc3c2c2cccc(OC)c2nc3C)cc1 ZINC000004050991 181067006 /nfs/dbraw/zinc/06/70/06/181067006.db2.gz ASDMBUDPVLVAHA-UHFFFAOYSA-N 1 0 320.392 4.255 50 0 DIAARO O[C@@H]1CCCc2c(NCc3ccccc3)c3ccccc3[nH+]c21 ZINC000004293813 181093658 /nfs/dbraw/zinc/09/36/58/181093658.db2.gz OWMPJXBRNFEZDD-GOSISDBHSA-N 1 0 304.393 4.217 50 0 DIAARO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C2CCCCC2)C[C@H]1C ZINC000004413593 181108296 /nfs/dbraw/zinc/10/82/96/181108296.db2.gz YHAZEJUWPWABOU-OXQOHEQNSA-N 1 0 315.457 4.120 50 0 DIAARO C[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)C1(C)O ZINC000004555394 181123824 /nfs/dbraw/zinc/12/38/24/181123824.db2.gz XDCSRNLDRQBFAD-QVTBYWDJSA-N 1 0 309.453 4.438 50 0 DIAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OC ZINC000004657524 181132729 /nfs/dbraw/zinc/13/27/29/181132729.db2.gz COQUEZINISKNBK-GFCCVEGCSA-N 1 0 305.805 4.208 50 0 DIAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1ccccc1F ZINC000004678167 181135101 /nfs/dbraw/zinc/13/51/01/181135101.db2.gz FUSPFIKLCNWHKY-UHFFFAOYSA-N 1 0 315.779 4.492 50 0 DIAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004678515 181136287 /nfs/dbraw/zinc/13/62/87/181136287.db2.gz QLOCDBLRMLMYSM-UHFFFAOYSA-N 1 0 315.779 4.492 50 0 DIAARO C[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000004745826 181147061 /nfs/dbraw/zinc/14/70/61/181147061.db2.gz SMHBTZLEMGRGHG-OAHLLOKOSA-N 1 0 306.881 4.036 50 0 DIAARO O=C(CCc1ccccc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004748780 181147626 /nfs/dbraw/zinc/14/76/26/181147626.db2.gz NMGQTQLIZQZMCY-UHFFFAOYSA-N 1 0 322.452 4.244 50 0 DIAARO Nc1c2ccccc2[nH+]c(N2CCCCC2)c1-c1ccccc1 ZINC000004769687 181149867 /nfs/dbraw/zinc/14/98/67/181149867.db2.gz ODZVJIYQPXMEQD-UHFFFAOYSA-N 1 0 303.409 4.474 50 0 DIAARO c1cc(OC2CCCCC2)cc2c3c4n(c12)CC[NH2+][C@@H]4CCC3 ZINC000004794858 181152683 /nfs/dbraw/zinc/15/26/83/181152683.db2.gz UNOCVRGWLFGNQA-GOSISDBHSA-N 1 0 310.441 4.333 50 0 DIAARO CCCOc1c(F)c(F)c(/C=C/C[NH+](CC)CC)c(F)c1F ZINC000004840495 181160595 /nfs/dbraw/zinc/16/05/95/181160595.db2.gz GQIMZLAVMGOOMS-BQYQJAHWSA-N 1 0 319.342 4.387 50 0 DIAARO CCOCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000004942945 181177110 /nfs/dbraw/zinc/17/71/10/181177110.db2.gz KHRYQXMPLXKWEN-UHFFFAOYSA-N 1 0 323.820 4.125 50 0 DIAARO Cc1ccc(COc2ccccc2C[NH2+]Cc2cccnc2)cc1 ZINC000004999702 181188285 /nfs/dbraw/zinc/18/82/85/181188285.db2.gz YCEHVLPJYTYAAM-UHFFFAOYSA-N 1 0 318.420 4.259 50 0 DIAARO Clc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1Cl ZINC000005019381 181191808 /nfs/dbraw/zinc/19/18/08/181191808.db2.gz LLTQPVLYOQESSL-UHFFFAOYSA-N 1 0 310.180 4.012 50 0 DIAARO Clc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000005019386 181191817 /nfs/dbraw/zinc/19/18/17/181191817.db2.gz FCIWLQIEFXWFAU-UHFFFAOYSA-N 1 0 310.180 4.012 50 0 DIAARO Cc1cc(C(c2ccc(N)c(C)c2)=C2C=CC(=[NH2+])C=C2)ccc1N ZINC000005419628 181241247 /nfs/dbraw/zinc/24/12/47/181241247.db2.gz IMOKRVRFBCWWGH-UHFFFAOYSA-N 1 0 315.420 4.416 50 0 in-vitro DIAARO CC1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000005524032 181253173 /nfs/dbraw/zinc/25/31/73/181253173.db2.gz MTJFIMKCZUAUEX-UHFFFAOYSA-N 1 0 315.244 4.054 50 0 DIAARO COc1ccc2c(c1)[C@H]([NH2+]Cc1c(C)noc1C)CCCS2 ZINC000187836178 200164621 /nfs/dbraw/zinc/16/46/21/200164621.db2.gz MWUHJBNXOFEMJZ-MRXNPFEDSA-N 1 0 318.442 4.017 50 0 DIAARO Cc1cc(Nc2ccc3c(c2)OCCO3)c2cccc(C)c2[nH+]1 ZINC000006391524 181336315 /nfs/dbraw/zinc/33/63/15/181336315.db2.gz RVCRAXSSXJEBCJ-UHFFFAOYSA-N 1 0 306.365 4.366 50 0 DIAARO CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1c(C)noc1C ZINC000090886637 192941337 /nfs/dbraw/zinc/94/13/37/192941337.db2.gz ZHENVOOVVMCWIS-DIFFPNOSSA-N 1 0 315.417 4.052 50 0 DIAARO c1ccc2c(c1)c1ccccc1n2CCOCC[NH+]1CCCCC1 ZINC000006590774 181358535 /nfs/dbraw/zinc/35/85/35/181358535.db2.gz SWNAONRHQNNSRG-UHFFFAOYSA-N 1 0 322.452 4.297 50 0 DIAARO COc1ccc(CC[NH2+]Cc2c(OC)ccc3ccccc32)cc1 ZINC000006602998 181359991 /nfs/dbraw/zinc/35/99/91/181359991.db2.gz ZYKOBPNQNWRTTE-UHFFFAOYSA-N 1 0 321.420 4.189 50 0 DIAARO Fc1ccccc1COc1ccccc1C[NH2+]Cc1cccnc1 ZINC000006671676 181368766 /nfs/dbraw/zinc/36/87/66/181368766.db2.gz QUISWHLWNYJUSB-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)cc1Cl ZINC000007539752 181473712 /nfs/dbraw/zinc/47/37/12/181473712.db2.gz DPKNHUCDSILKCY-LBPRGKRZSA-N 1 0 309.768 4.008 50 0 DIAARO Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2cnc3ncccn23)c1C ZINC000093684308 193288877 /nfs/dbraw/zinc/28/88/77/193288877.db2.gz JJQALUKIRLHGEQ-IBGZPJMESA-N 1 0 320.440 4.073 50 0 DIAARO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000095967680 193465740 /nfs/dbraw/zinc/46/57/40/193465740.db2.gz GOKCWFVCCZJLHQ-HUUCEWRRSA-N 1 0 306.409 4.222 50 0 DIAARO Clc1ccc(OCCCSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000015456893 182003350 /nfs/dbraw/zinc/00/33/50/182003350.db2.gz ZZTNNXBYPUKSHP-GJZGRUSLSA-N 1 0 324.877 4.113 50 0 DIAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000015837453 182020280 /nfs/dbraw/zinc/02/02/80/182020280.db2.gz MYRLQLZYFUSSTQ-LJQANCHMSA-N 1 0 315.388 4.180 50 0 DIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)cc1 ZINC000015837002 182020477 /nfs/dbraw/zinc/02/04/77/182020477.db2.gz VTAYMDICNRQOMS-SFHVURJKSA-N 1 0 303.352 4.311 50 0 DIAARO CSc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000015866914 182022946 /nfs/dbraw/zinc/02/29/46/182022946.db2.gz KFAXLAFFTXRAPB-INIZCTEOSA-N 1 0 302.443 4.350 50 0 DIAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000019228941 182109036 /nfs/dbraw/zinc/10/90/36/182109036.db2.gz SXSJAHLYLRQMLU-BAILOTOSSA-N 1 0 309.457 4.255 50 0 DIAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@H](O)c1ccccc1 ZINC000019691221 182137886 /nfs/dbraw/zinc/13/78/86/182137886.db2.gz LEMNAJQPLKKRHZ-FQEVSTJZSA-N 1 0 321.420 4.062 50 0 DIAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000019831644 182154954 /nfs/dbraw/zinc/15/49/54/182154954.db2.gz NIRUOPOIPAZYMS-QAPCUYQASA-N 1 0 306.881 4.036 50 0 DIAARO CCCCN1C(=O)c2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000019907603 182163055 /nfs/dbraw/zinc/16/30/55/182163055.db2.gz BZTJMQNXRYPGBG-WTLGNFPFSA-N 1 0 314.473 4.355 50 0 DIAARO c1coc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000019853084 182157438 /nfs/dbraw/zinc/15/74/38/182157438.db2.gz KNTRDZOWIDYRQK-UHFFFAOYSA-N 1 0 324.468 4.124 50 0 DIAARO Fc1cccc(Cl)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000019860439 182157774 /nfs/dbraw/zinc/15/77/74/182157774.db2.gz PLFFNNHALWJMMN-UHFFFAOYSA-N 1 0 302.780 4.293 50 0 DIAARO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@H](O)c1ccccc1 ZINC000019872198 182158965 /nfs/dbraw/zinc/15/89/65/182158965.db2.gz JHYSENDMFUMZPU-ZBEGNZNMSA-N 1 0 310.224 4.205 50 0 DIAARO C[N@H+](C[C@@]1(c2ccc(F)cc2)CCOC1)C1CCCCCC1 ZINC000019883721 182160868 /nfs/dbraw/zinc/16/08/68/182160868.db2.gz CRGODGAQCACTMX-IBGZPJMESA-N 1 0 305.437 4.138 50 0 DIAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2CC)cc1 ZINC000021720922 182285757 /nfs/dbraw/zinc/28/57/57/182285757.db2.gz XLPSFYAFRNXDSV-KRWDZBQOSA-N 1 0 314.429 4.281 50 0 DIAARO Clc1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000021519254 182278034 /nfs/dbraw/zinc/27/80/34/182278034.db2.gz BZSZFHJPMWJFAZ-UHFFFAOYSA-N 1 0 324.207 4.054 50 0 DIAARO COc1cc2c(cc1C[NH2+][C@H](C)c1ccccc1C)O[C@H](C)C2 ZINC000022777488 182334114 /nfs/dbraw/zinc/33/41/14/182334114.db2.gz GAOSVTVSRXCOEZ-HUUCEWRRSA-N 1 0 311.425 4.178 50 0 DIAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000023280303 182355581 /nfs/dbraw/zinc/35/55/81/182355581.db2.gz MOTTZHIQRNFIGL-ZDUSSCGKSA-N 1 0 323.358 4.435 50 0 DIAARO C1=CC[C@H](CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 ZINC000023471783 182361685 /nfs/dbraw/zinc/36/16/85/182361685.db2.gz SREOCUTYLOXMPK-DFQSSKMNSA-N 1 0 302.506 4.072 50 0 DIAARO CSc1ccccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023549865 182363056 /nfs/dbraw/zinc/36/30/56/182363056.db2.gz PLIPTBJXLFPQPZ-UHFFFAOYSA-N 1 0 312.482 4.485 50 0 DIAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000024928657 182395173 /nfs/dbraw/zinc/39/51/73/182395173.db2.gz LRCOFPJQVNNHMY-UHFFFAOYSA-N 1 0 316.832 4.434 50 0 DIAARO C[C@@H]1C[C@@H](C)C[N+](=C2C=C(N3CCCCC3)CC(C)(C)C2)C1 ZINC000033402441 182709351 /nfs/dbraw/zinc/70/93/51/182709351.db2.gz DMCMMNOYIPXYFH-IAGOWNOFSA-N 1 0 303.514 4.306 50 0 DIAARO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000040007509 183027523 /nfs/dbraw/zinc/02/75/23/183027523.db2.gz AMYBBCNNBSWYLN-ZDUSSCGKSA-N 1 0 303.377 4.036 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000040040715 183029316 /nfs/dbraw/zinc/02/93/16/183029316.db2.gz NBSYSPUTHCUZQT-QZTJIDSGSA-N 1 0 302.462 4.340 50 0 DIAARO CC[C@H](C)c1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000042774578 183307549 /nfs/dbraw/zinc/30/75/49/183307549.db2.gz VFUUYAZUGFXLBK-NSHDSACASA-N 1 0 312.251 4.093 50 0 DIAARO Clc1ccc(OCC2CC[NH2+]CC2)c(-c2ccccc2)c1 ZINC000042775501 183307744 /nfs/dbraw/zinc/30/77/44/183307744.db2.gz WXVALTUXLIJHDF-UHFFFAOYSA-N 1 0 301.817 4.385 50 0 DIAARO Clc1cc(-c2ccccc2)ccc1OCC1CC[NH2+]CC1 ZINC000042774996 183308097 /nfs/dbraw/zinc/30/80/97/183308097.db2.gz BXGDAZPCBDRVNY-UHFFFAOYSA-N 1 0 301.817 4.385 50 0 DIAARO CC[C@H](C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000043071791 183334466 /nfs/dbraw/zinc/33/44/66/183334466.db2.gz VPXALHNJSVVHHG-HOCLYGCPSA-N 1 0 315.436 4.441 50 0 DIAARO c1ccc([C@H]2C[N@@H+](CCc3ccccn3)Cc3ccccc32)cc1 ZINC000043661356 183377876 /nfs/dbraw/zinc/37/78/76/183377876.db2.gz MMDZMZHNXDFCIH-JOCHJYFZSA-N 1 0 314.432 4.272 50 0 DIAARO CC1CC[NH+](CC(=O)n2c3ccccc3c3ccccc32)CC1 ZINC000057256239 184030830 /nfs/dbraw/zinc/03/08/30/184030830.db2.gz UEPAHNLCAVXKLE-UHFFFAOYSA-N 1 0 306.409 4.167 50 0 DIAARO COc1ccc2ccccc2c1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000057681660 184046030 /nfs/dbraw/zinc/04/60/30/184046030.db2.gz ATDOTRXJWZIZRH-LJQANCHMSA-N 1 0 319.404 4.462 50 0 DIAARO CSc1ccc(-c2noc(C[N@H+](C)C3CCCCC3)n2)cc1 ZINC000057427581 184038184 /nfs/dbraw/zinc/03/81/84/184038184.db2.gz CNLCDXNKBMLJEE-UHFFFAOYSA-N 1 0 317.458 4.223 50 0 DIAARO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000057525951 184041316 /nfs/dbraw/zinc/04/13/16/184041316.db2.gz JULPFVZFRKEUHA-IBGZPJMESA-N 1 0 304.393 4.188 50 0 DIAARO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000058378513 184109969 /nfs/dbraw/zinc/10/99/69/184109969.db2.gz CNRNBUFTIYOSQF-HNNXBMFYSA-N 1 0 315.438 4.029 50 0 DIAARO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000058445817 184118905 /nfs/dbraw/zinc/11/89/05/184118905.db2.gz TYLDLDCHYPRFBR-NSHDSACASA-N 1 0 323.223 4.283 50 0 DIAARO CCCCn1nc(C)c(C[NH2+]Cc2ccc(C)s2)c1Cl ZINC000061106884 184162031 /nfs/dbraw/zinc/16/20/31/184162031.db2.gz IVFMDTZBWKQPCY-UHFFFAOYSA-N 1 0 311.882 4.305 50 0 DIAARO C[C@H](c1cccc(-c2ccc(Cn3ccnc3)cc2)c1)[NH+](C)C ZINC000065382021 184332175 /nfs/dbraw/zinc/33/21/75/184332175.db2.gz GLJFTDFQZXKMLD-MRXNPFEDSA-N 1 0 305.425 4.221 50 0 DIAARO CO[C@@H](C)c1ccc(-c2ccc(C[NH+]3CCCCC3)cn2)cc1 ZINC000065384185 184332586 /nfs/dbraw/zinc/33/25/86/184332586.db2.gz BSQIXCXZCLICNI-INIZCTEOSA-N 1 0 310.441 4.442 50 0 DIAARO CC/C=C\CCc1c(-c2ccccc2)ncn1C[C@@H]1CC[N@H+](C)C1 ZINC000065396845 184336169 /nfs/dbraw/zinc/33/61/69/184336169.db2.gz RZLJEPYFGUSSIL-PYTPGESOSA-N 1 0 323.484 4.401 50 0 DIAARO CCc1cc2oc(=O)cc(C[N@@H+](C)[C@@H](C)CC)c2cc1Cl ZINC000065549113 184364287 /nfs/dbraw/zinc/36/42/87/184364287.db2.gz LDSNHIKPNDJPAG-NSHDSACASA-N 1 0 307.821 4.239 50 0 DIAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253500223 256616450 /nfs/dbraw/zinc/61/64/50/256616450.db2.gz ZSTQCIVAAMTXKR-UPYGWULESA-N 1 0 319.533 4.320 50 0 biogenic DIAARO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccccc1 ZINC000279631428 257237899 /nfs/dbraw/zinc/23/78/99/257237899.db2.gz BVDOQWROGFRTOT-VXGBXAGGSA-N 1 0 305.219 4.256 50 0 DIAARO C[C@@H](c1ccc(-c2n[nH]c(C3CCC3)n2)cc1)[NH+]1CCCCC1 ZINC000426384036 257252681 /nfs/dbraw/zinc/25/26/81/257252681.db2.gz ZPSPLUOLNCEEPW-AWEZNQCLSA-N 1 0 310.445 4.286 50 0 DIAARO Cc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000244647024 257259411 /nfs/dbraw/zinc/25/94/11/257259411.db2.gz GTOXLWVKYOYTEF-LEWJYISDSA-N 1 0 312.501 4.224 50 0 DIAARO Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000017250597 331573826 /nfs/dbraw/zinc/57/38/26/331573826.db2.gz FVAUNMMWEWKDCT-UHFFFAOYSA-N 1 0 309.820 4.091 50 0 DIAARO C[C@@H](c1ccc(-c2cnc3ccccc3n2)cc1)[NH+]1CCCC1 ZINC000534656768 334314058 /nfs/dbraw/zinc/31/40/58/334314058.db2.gz SXLGMVZJSRQRTL-HNNXBMFYSA-N 1 0 303.409 4.454 50 0 DIAARO c1cncc([C@H]2OCC[C@@H]2[NH2+]C2CCC3(CCCCC3)CC2)c1 ZINC000348482539 335589889 /nfs/dbraw/zinc/58/98/89/335589889.db2.gz MMJOFBPOMLFLRC-RBUKOAKNSA-N 1 0 314.473 4.394 50 0 DIAARO C[C@@H]1CCC[C@H]1[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000222095707 563869523 /nfs/dbraw/zinc/86/95/23/563869523.db2.gz VFVQTNJXXPSXBA-DAXOMENPSA-N 1 0 324.262 4.011 50 0 DIAARO CCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000002860686 563315349 /nfs/dbraw/zinc/31/53/49/563315349.db2.gz DGJPQOLPKWIYPG-UHFFFAOYSA-N 1 0 320.230 4.138 50 0 DIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714061 563349110 /nfs/dbraw/zinc/34/91/10/563349110.db2.gz ZVKXVZASIAVMPG-UHFFFAOYSA-N 1 0 300.446 4.488 50 0 DIAARO C[C@H](c1ccccc1[C@](O)(c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000000132444 563221656 /nfs/dbraw/zinc/22/16/56/563221656.db2.gz ZRPJPFSQGQDKDU-CXAGYDPISA-N 1 0 323.358 4.107 50 0 DIAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000216276 563231197 /nfs/dbraw/zinc/23/11/97/563231197.db2.gz KQJYYDZPYZELJD-INIZCTEOSA-N 1 0 324.424 4.292 50 0 DIAARO CC(C)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000000294354 563237139 /nfs/dbraw/zinc/23/71/39/563237139.db2.gz GMVBFLQVGBBQTQ-UHFFFAOYSA-N 1 0 312.432 4.271 50 0 DIAARO CCc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000295327 563237167 /nfs/dbraw/zinc/23/71/67/563237167.db2.gz MOXJDAUAUXBGKH-UHFFFAOYSA-N 1 0 314.860 4.225 50 0 DIAARO Clc1ccccc1C[NH2+]Cc1ccc(Br)cc1 ZINC000000386354 563249188 /nfs/dbraw/zinc/24/91/88/563249188.db2.gz BREAXGATSBXUHN-UHFFFAOYSA-N 1 0 310.622 4.392 50 0 DIAARO CCn1c2ccccc2c2cc(C[NH2+]C[C@H]3CCCO3)ccc21 ZINC000000810259 563271843 /nfs/dbraw/zinc/27/18/43/563271843.db2.gz XBUPRSWJADEZNF-MRXNPFEDSA-N 1 0 308.425 4.083 50 0 DIAARO C[N@@H+]1CCC[C@@H]1CCOC1c2ccccc2CCc2ccccc21 ZINC000000971557 563273286 /nfs/dbraw/zinc/27/32/86/563273286.db2.gz WDWDXUWXPSODKZ-LJQANCHMSA-N 1 0 321.464 4.376 50 0 DIAARO Cc1nc2c3cc(C)ccc3n(CC[NH+]3CCCCC3)c2s1 ZINC000002206953 563301450 /nfs/dbraw/zinc/30/14/50/563301450.db2.gz AFWIJSZNDATCCL-UHFFFAOYSA-N 1 0 313.470 4.354 50 0 DIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000002514573 563305070 /nfs/dbraw/zinc/30/50/70/563305070.db2.gz KYWICYLVUOOTCK-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO O=C(c1ccc(Cl)cc1F)c1ccccc1C[NH+]1CCCC1 ZINC000002515579 563306095 /nfs/dbraw/zinc/30/60/95/563306095.db2.gz PGJWXBPTXOJGPL-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO Clc1ccc(SCCOCC[NH+]2CCCCCC2)cc1 ZINC000002838986 563314389 /nfs/dbraw/zinc/31/43/89/563314389.db2.gz ZVXUZWILSQKGAG-UHFFFAOYSA-N 1 0 313.894 4.325 50 0 DIAARO Brc1cccc(OCCC[NH+]2CCCCCC2)c1 ZINC000002838979 563314447 /nfs/dbraw/zinc/31/44/47/563314447.db2.gz YHUXMSLWZYFUGT-UHFFFAOYSA-N 1 0 312.251 4.094 50 0 DIAARO CC(C)Oc1ccccc1OCCCC[NH+]1CCC(C)CC1 ZINC000002953174 563318311 /nfs/dbraw/zinc/31/83/11/563318311.db2.gz MGVKODWWBDYMNE-UHFFFAOYSA-N 1 0 305.462 4.365 50 0 DIAARO Cc1cc(Cl)cc(Cl)c1OCCOCC[NH2+]C(C)(C)C ZINC000002981072 563318806 /nfs/dbraw/zinc/31/88/06/563318806.db2.gz HFGKHZKKNOXXFY-UHFFFAOYSA-N 1 0 320.260 4.085 50 0 DIAARO Fc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1Cl ZINC000007365356 563337824 /nfs/dbraw/zinc/33/78/24/563337824.db2.gz VZRHWUUBPKWILX-UHFFFAOYSA-N 1 0 316.763 4.424 50 0 DIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(OCC)cc2c1=O ZINC000008713981 563348933 /nfs/dbraw/zinc/34/89/33/563348933.db2.gz UHKGFRUIECNYJN-UHFFFAOYSA-N 1 0 316.445 4.270 50 0 DIAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@H+]1CCCC[C@@H]1C ZINC000008700850 563349351 /nfs/dbraw/zinc/34/93/51/563349351.db2.gz HHZMRPYWQIYNQQ-NSHDSACASA-N 1 0 304.821 4.277 50 0 DIAARO O=C(Nc1ccccc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010329668 563355823 /nfs/dbraw/zinc/35/58/23/563355823.db2.gz BXUXQXWNCIQXAZ-UHFFFAOYSA-N 1 0 312.388 4.064 50 0 DIAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3C)c(C)o2)cc1C ZINC000011818424 563360141 /nfs/dbraw/zinc/36/01/41/563360141.db2.gz IEAOBUSWRBIVMW-AWEZNQCLSA-N 1 0 314.429 4.341 50 0 DIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000011951829 563360733 /nfs/dbraw/zinc/36/07/33/563360733.db2.gz JBPDRVHTSPXTOM-SFHVURJKSA-N 1 0 319.448 4.243 50 0 DIAARO COc1cccc(CC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)c1 ZINC000012209914 563364854 /nfs/dbraw/zinc/36/48/54/563364854.db2.gz PRQNZSDFJAGKIX-KRWDZBQOSA-N 1 0 319.514 4.235 50 0 DIAARO CC(C)=CC[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012242617 563365391 /nfs/dbraw/zinc/36/53/91/563365391.db2.gz PGKYSGBVTAFTMM-INIZCTEOSA-N 1 0 313.420 4.361 50 0 DIAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000012297147 563365622 /nfs/dbraw/zinc/36/56/22/563365622.db2.gz JWWFCCGHOMADTN-KRWDZBQOSA-N 1 0 315.457 4.311 50 0 DIAARO Clc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000012307618 563366194 /nfs/dbraw/zinc/36/61/94/563366194.db2.gz KGIAAEFPASUGCU-GOSISDBHSA-N 1 0 300.833 4.417 50 0 DIAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](CC4CC4)C3)ccc2c1 ZINC000012466809 563369906 /nfs/dbraw/zinc/36/99/06/563369906.db2.gz FRZXPZFVZUQQHN-LJQANCHMSA-N 1 0 323.436 4.153 50 0 DIAARO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCCC[C@@H]1C ZINC000012439236 563370135 /nfs/dbraw/zinc/37/01/35/563370135.db2.gz DZVOFAQCJLBKHE-NSHDSACASA-N 1 0 306.356 4.303 50 0 DIAARO Cc1c([C@@H](C)[NH2+]CC2CCCC2)cnn1-c1ccc(F)cc1F ZINC000012750886 563373313 /nfs/dbraw/zinc/37/33/13/563373313.db2.gz FVMNRWZFJPYGCD-GFCCVEGCSA-N 1 0 319.399 4.300 50 0 DIAARO CC[C@@H]1C[N@H+](C)CC[C@@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000013635454 563384536 /nfs/dbraw/zinc/38/45/36/563384536.db2.gz OJLWUEFIEDXWFB-NQIIRXRSSA-N 1 0 323.436 4.101 50 0 DIAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1cccc4ccccc41)(C3)C2 ZINC000013728189 563388330 /nfs/dbraw/zinc/38/83/30/563388330.db2.gz BDHKDYWJCUETSZ-XBLGPDGASA-N 1 0 307.437 4.013 50 0 DIAARO c1cn(-c2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)cn1 ZINC000032735858 563388648 /nfs/dbraw/zinc/38/86/48/563388648.db2.gz RIOQZDDVGMOIMD-GOSISDBHSA-N 1 0 321.449 4.199 50 0 DIAARO C[C@H](C1CC1)[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 ZINC000032814812 563399207 /nfs/dbraw/zinc/39/92/07/563399207.db2.gz GTFWJJBJMZEYQK-GFCCVEGCSA-N 1 0 300.377 4.244 50 0 DIAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+]1CCCC[C@H]1C ZINC000014960278 563404661 /nfs/dbraw/zinc/40/46/61/563404661.db2.gz PUNNBVBZFONNFY-LLVKDONJSA-N 1 0 306.356 4.303 50 0 DIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000014952370 563404722 /nfs/dbraw/zinc/40/47/22/563404722.db2.gz SZWOXAJDLBAOGH-HNNXBMFYSA-N 1 0 320.458 4.103 50 0 DIAARO COc1ccc(CN(C)c2cc(C)[nH+]c3ccccc32)cc1OC ZINC000032902977 563410139 /nfs/dbraw/zinc/41/01/39/563410139.db2.gz JSHJDYODOHUWQG-UHFFFAOYSA-N 1 0 322.408 4.197 50 0 DIAARO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c(C)c1 ZINC000029483191 563434693 /nfs/dbraw/zinc/43/46/93/563434693.db2.gz BKJFUXACLXWWMG-IBGZPJMESA-N 1 0 322.452 4.170 50 0 DIAARO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029484291 563434709 /nfs/dbraw/zinc/43/47/09/563434709.db2.gz TVBUDUAFDCWFPS-IBGZPJMESA-N 1 0 322.452 4.115 50 0 DIAARO CCCC[N@H+](CCCN1CCOC1=O)[C@@H](CC)c1ccccc1 ZINC000072285251 563434788 /nfs/dbraw/zinc/43/47/88/563434788.db2.gz ULNLBDMJMKYRCO-SFHVURJKSA-N 1 0 318.461 4.082 50 0 DIAARO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2cn(C)nc2C)s1 ZINC000033087107 563444338 /nfs/dbraw/zinc/44/43/38/563444338.db2.gz JNIIEZDQAFYMEV-MRXNPFEDSA-N 1 0 303.475 4.216 50 0 DIAARO CC(=O)Nc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000000199334 563446860 /nfs/dbraw/zinc/44/68/60/563446860.db2.gz QSJPKBBKQQTCMU-UHFFFAOYSA-N 1 0 322.452 4.100 50 0 DIAARO O[C@H]1CCCC[C@@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001225617 563448041 /nfs/dbraw/zinc/44/80/41/563448041.db2.gz LXRYGMJORBWRRO-RTWAWAEBSA-N 1 0 309.453 4.240 50 0 DIAARO c1ccc(CC[N@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC000002498617 563448635 /nfs/dbraw/zinc/44/86/35/563448635.db2.gz NVHQHMXKVSBHNF-UHFFFAOYSA-N 1 0 302.421 4.327 50 0 DIAARO CC[C@H]([NH3+])c1ccccc1OCc1ccccc1Br ZINC000037698601 563458658 /nfs/dbraw/zinc/45/86/58/563458658.db2.gz LHOVOWOEPOGJJZ-HNNXBMFYSA-N 1 0 320.230 4.438 50 0 DIAARO CC[C@H](C[NH2+]Cc1c(Cl)n(C)nc1C(C)C)c1ccccc1 ZINC000071809764 563460905 /nfs/dbraw/zinc/46/09/05/563460905.db2.gz ZJFGNYCUGGYHFM-CQSZACIVSA-N 1 0 319.880 4.480 50 0 DIAARO C[C@@H](Cc1nc2ccccc2s1)[NH2+]CCc1ccsc1 ZINC000177727881 563466004 /nfs/dbraw/zinc/46/60/04/563466004.db2.gz MPIWJMLAENWVCF-LBPRGKRZSA-N 1 0 302.468 4.121 50 0 DIAARO CC[C@@H](C)N(Cc1cccnc1)Cc1ccc(F)c(OC)c1F ZINC000055244947 563472867 /nfs/dbraw/zinc/47/28/67/563472867.db2.gz HDXOOIOCIOFUKI-CYBMUJFWSA-N 1 0 320.383 4.169 50 0 DIAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1ccc(-n2cccn2)cc1 ZINC000055370030 563474440 /nfs/dbraw/zinc/47/44/40/563474440.db2.gz HTXDJPFRSXRNHO-QGZVFWFLSA-N 1 0 320.440 4.068 50 0 DIAARO CC(=O)Nc1ccc(C[N@@H+](Cc2ccco2)[C@H](C)C(C)C)cc1 ZINC000055393431 563475518 /nfs/dbraw/zinc/47/55/18/563475518.db2.gz BYRCAGPYYGSQTB-OAHLLOKOSA-N 1 0 314.429 4.285 50 0 DIAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000055542973 563476310 /nfs/dbraw/zinc/47/63/10/563476310.db2.gz MUULAWDTOQZBBQ-UHFFFAOYSA-N 1 0 320.358 4.028 50 0 DIAARO Cc1ccc(C)c(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000055543963 563476480 /nfs/dbraw/zinc/47/64/80/563476480.db2.gz JVSQMQWRUCVURA-UHFFFAOYSA-N 1 0 314.860 4.279 50 0 DIAARO CC[C@@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccc(F)cc1 ZINC000096477578 563484440 /nfs/dbraw/zinc/48/44/40/563484440.db2.gz QXRRXRAEYKZMQO-GOSISDBHSA-N 1 0 315.388 4.112 50 0 DIAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)on1 ZINC000064666979 563486224 /nfs/dbraw/zinc/48/62/24/563486224.db2.gz RJPMGXXWGBWGNG-GOSISDBHSA-N 1 0 314.429 4.361 50 0 DIAARO CC(C)c1cc(C2CC[NH+](C/C=C/c3ccccc3)CC2)[nH]n1 ZINC000067908262 563492823 /nfs/dbraw/zinc/49/28/23/563492823.db2.gz HCSRKSWJJPMVSN-RMKNXTFCSA-N 1 0 309.457 4.426 50 0 DIAARO C[NH+]1CCC(CCn2ccnc2-c2c(F)cccc2Cl)CC1 ZINC000067872744 563493079 /nfs/dbraw/zinc/49/30/79/563493079.db2.gz SOZVPBLILGQSJA-UHFFFAOYSA-N 1 0 321.827 4.075 50 0 DIAARO CNc1nc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cs1 ZINC000072149398 563502463 /nfs/dbraw/zinc/50/24/63/563502463.db2.gz OREDFNHVXSIGPH-QGZVFWFLSA-N 1 0 315.486 4.172 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccccc1C)[NH2+]CC2 ZINC000000034562 563506215 /nfs/dbraw/zinc/50/62/15/563506215.db2.gz VUOCCUNKRSMKAJ-FQEVSTJZSA-N 1 0 311.425 4.028 50 0 DIAARO c1csc(C[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000097159681 563507574 /nfs/dbraw/zinc/50/75/74/563507574.db2.gz ACLAZTFKPDDDPP-UHFFFAOYSA-N 1 0 309.394 4.174 50 0 DIAARO c1coc([C@@H]2CCCCC[N@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000077471544 563510656 /nfs/dbraw/zinc/51/06/56/563510656.db2.gz VPLBEPBHLLAHES-SFHVURJKSA-N 1 0 323.396 4.447 50 0 DIAARO CN(C)c1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000085945445 563521023 /nfs/dbraw/zinc/52/10/23/563521023.db2.gz INFLVPGJBQKTPD-UHFFFAOYSA-N 1 0 324.453 4.380 50 0 DIAARO COc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000095347852 563529049 /nfs/dbraw/zinc/52/90/49/563529049.db2.gz HDARUHQXURTTIH-UHFFFAOYSA-N 1 0 318.420 4.466 50 0 DIAARO Cc1nc2cc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)cnc2[nH]1 ZINC000096165795 563534866 /nfs/dbraw/zinc/53/48/66/563534866.db2.gz ZAPCELNMINSXBE-ZDUSSCGKSA-N 1 0 306.413 4.090 50 0 DIAARO C[C@@H](c1ccc(-c2ncnc3[nH]ccc32)cc1)[NH+]1CCCCC1 ZINC000097521953 563539236 /nfs/dbraw/zinc/53/92/36/563539236.db2.gz QJHICZVGARPPML-AWEZNQCLSA-N 1 0 306.413 4.172 50 0 DIAARO CO[C@H]1CC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000097551481 563539967 /nfs/dbraw/zinc/53/99/67/563539967.db2.gz CKLJTDXVDAILGM-SFHVURJKSA-N 1 0 317.816 4.353 50 0 DIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(c3ncncc3C)CC2)o1 ZINC000097632150 563540940 /nfs/dbraw/zinc/54/09/40/563540940.db2.gz MADSGMHXBMSFJI-AWEZNQCLSA-N 1 0 313.445 4.060 50 0 DIAARO FC(F)(F)c1cccc(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000097674417 563541006 /nfs/dbraw/zinc/54/10/06/563541006.db2.gz JKZGXRCFWHBYJY-UHFFFAOYSA-N 1 0 313.363 4.098 50 0 DIAARO Clc1c2ccccc2[nH]c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000097698949 563542039 /nfs/dbraw/zinc/54/20/39/563542039.db2.gz PNTKKNMDZXNJJN-UHFFFAOYSA-N 1 0 318.848 4.214 50 0 DIAARO C[C@H](c1ccc(-c2ccc(NC3CCCC3)nn2)cc1)[NH+](C)C ZINC000097766387 563542476 /nfs/dbraw/zinc/54/24/76/563542476.db2.gz VLTVFCSPBJMICS-CQSZACIVSA-N 1 0 310.445 4.121 50 0 DIAARO c1cc(-c2ccccc2)sc1CN1CC([NH+]2CCCCC2)C1 ZINC000097773222 563542671 /nfs/dbraw/zinc/54/26/71/563542671.db2.gz HHKXYCBQQOCDJF-UHFFFAOYSA-N 1 0 312.482 4.085 50 0 DIAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c(C)c1C ZINC000011667865 563564331 /nfs/dbraw/zinc/56/43/31/563564331.db2.gz ULNCUAYJQDGESQ-HXUWFJFHSA-N 1 0 324.468 4.389 50 0 DIAARO CC[NH+](CC)CCNc1nnc(-c2ccccc2)c2ccccc21 ZINC000000274088 563584406 /nfs/dbraw/zinc/58/44/06/563584406.db2.gz QAKWOHVIPGTTQQ-UHFFFAOYSA-N 1 0 320.440 4.051 50 0 DIAARO COc1ccc(-c2ccc3c(c2)c2c4n3CC[NH2+][C@@H]4CCC2)cc1 ZINC000000287010 563585221 /nfs/dbraw/zinc/58/52/21/563585221.db2.gz MXEXVQBKSULBLE-LJQANCHMSA-N 1 0 318.420 4.298 50 0 DIAARO COc1ccc(Nc2cc(C)[nH+]c3c(C)c(C)cc(N)c23)cc1 ZINC000000348938 563589711 /nfs/dbraw/zinc/58/97/11/563589711.db2.gz RBYXCNCKIAEZQJ-UHFFFAOYSA-N 1 0 307.397 4.494 50 0 DIAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000000411894 563611588 /nfs/dbraw/zinc/61/15/88/563611588.db2.gz CESGXMOSNLYWMO-UHFFFAOYSA-N 1 0 324.424 4.293 50 0 DIAARO CCc1noc(CC)c1C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000166931984 563618656 /nfs/dbraw/zinc/61/86/56/563618656.db2.gz OCLJQBAULIPLJH-CWTRNNRKSA-N 1 0 316.420 4.352 50 0 DIAARO Clc1ccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c(Cl)c1 ZINC000014196646 563665870 /nfs/dbraw/zinc/66/58/70/563665870.db2.gz AGKZKKKAAZXHSZ-CHWSQXEVSA-N 1 0 315.269 4.497 50 0 DIAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2ccccc2c1 ZINC000046989103 563678251 /nfs/dbraw/zinc/67/82/51/563678251.db2.gz JKWFHALVACQKHQ-KRWDZBQOSA-N 1 0 324.468 4.224 50 0 DIAARO O=[N+]1C(c2ccccc2)=C(c2ccccc2)N(O)[C@@H]2CCCC[C@H]21 ZINC000136389990 563702237 /nfs/dbraw/zinc/70/22/37/563702237.db2.gz ORDFLFRJKXTMTM-QZTJIDSGSA-N 1 0 321.400 4.307 50 0 DIAARO CCc1nccc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)n1 ZINC000215367510 563705840 /nfs/dbraw/zinc/70/58/40/563705840.db2.gz CXYODYDSQMIUMZ-SFHVURJKSA-N 1 0 313.420 4.295 50 0 DIAARO COc1cccc2c1CC[C@H]2[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000095968576 563713718 /nfs/dbraw/zinc/71/37/18/563713718.db2.gz GNKQOTINDNRGAV-WBVHZDCISA-N 1 0 314.454 4.188 50 0 DIAARO COc1cccc(C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)c1 ZINC000028925802 563758039 /nfs/dbraw/zinc/75/80/39/563758039.db2.gz JUEGCSBCAIVKHB-ZDUSSCGKSA-N 1 0 311.381 4.301 50 0 DIAARO CN(Cc1cncn1C1CC1)Cc1ccc(Cl)cc1Cl ZINC000244795906 563779757 /nfs/dbraw/zinc/77/97/57/563779757.db2.gz RPOMCQZVPOAFDP-UHFFFAOYSA-N 1 0 310.228 4.157 50 0 DIAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)[C@H]2CCCC[C@H]21 ZINC000247812703 563782189 /nfs/dbraw/zinc/78/21/89/563782189.db2.gz BIWOHGQOCMGKSL-FSSWDIPSSA-N 1 0 321.464 4.339 50 0 DIAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253596266 563784303 /nfs/dbraw/zinc/78/43/03/563784303.db2.gz PGNZHBZWAAFCJR-MTPZLDIWSA-N 1 0 317.517 4.240 50 0 DIAARO Cc1c[nH]c(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)c(C)c1=O ZINC000253537124 563784361 /nfs/dbraw/zinc/78/43/61/563784361.db2.gz YQUFTUZPIHYCEP-AWEZNQCLSA-N 1 0 316.832 4.047 50 0 DIAARO c1cc(C[NH2+]Cc2ccc(OC[C@@H]3CC=CCC3)cc2)ccn1 ZINC000299790628 563806277 /nfs/dbraw/zinc/80/62/77/563806277.db2.gz CBKSUCWKUQMCGD-LJQANCHMSA-N 1 0 308.425 4.107 50 0 DIAARO CC(C)[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccs1 ZINC000084456456 563826926 /nfs/dbraw/zinc/82/69/26/563826926.db2.gz COUKCFQUVZQGQO-KRWDZBQOSA-N 1 0 317.454 4.396 50 0 DIAARO C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1ccccc1-n1cccn1 ZINC000084660895 563830006 /nfs/dbraw/zinc/83/00/06/563830006.db2.gz NNFMWZPOUFLYDH-KRWDZBQOSA-N 1 0 317.436 4.255 50 0 DIAARO c1ccc([C@H](CNc2nc3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000026081907 563842632 /nfs/dbraw/zinc/84/26/32/563842632.db2.gz GEGSGTRFUFJXAA-KRWDZBQOSA-N 1 0 307.397 4.077 50 0 DIAARO Cc1ccc(C(C)C)c(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020167344 563843179 /nfs/dbraw/zinc/84/31/79/563843179.db2.gz VCQXBKQYABSASJ-ROUUACIJSA-N 1 0 319.489 4.387 50 0 DIAARO Cc1noc(C2CC[NH+]([C@H](C)c3ccc4ccccc4c3)CC2)n1 ZINC000053618214 563864218 /nfs/dbraw/zinc/86/42/18/563864218.db2.gz DOSLKGNONHLEGL-CQSZACIVSA-N 1 0 321.424 4.472 50 0 DIAARO CC[C@H](NCc1ncccc1F)c1ccccc1Br ZINC000090720294 563874470 /nfs/dbraw/zinc/87/44/70/563874470.db2.gz VMSGHFBGCRXWDR-AWEZNQCLSA-N 1 0 323.209 4.224 50 0 DIAARO CC[NH+](CC)CC(C)(C)COC(=O)c1cc2cc(C)ccc2o1 ZINC000001828529 563882342 /nfs/dbraw/zinc/88/23/42/563882342.db2.gz GPTFVKYZVAJUBQ-UHFFFAOYSA-N 1 0 317.429 4.266 50 0 DIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1C)C[C@H](O)Cc1ccccc1 ZINC000036104511 563894264 /nfs/dbraw/zinc/89/42/64/563894264.db2.gz NSMKTUCXBGRVII-WIYYLYMNSA-N 1 0 311.469 4.199 50 0 DIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1C)C[C@@H](O)Cc1ccccc1 ZINC000169679091 563894990 /nfs/dbraw/zinc/89/49/90/563894990.db2.gz NSMKTUCXBGRVII-NQIIRXRSSA-N 1 0 311.469 4.199 50 0 DIAARO CC[C@H](C)[N@@H+](Cc1ccccc1C)C[C@@H](O)Cc1ccccc1 ZINC000169679092 563895157 /nfs/dbraw/zinc/89/51/57/563895157.db2.gz NSMKTUCXBGRVII-RXVVDRJESA-N 1 0 311.469 4.199 50 0 DIAARO O[C@@H](C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccccc1Cl ZINC000036395343 563898293 /nfs/dbraw/zinc/89/82/93/563898293.db2.gz ZKGAVHXHAOLNLC-CABCVRRESA-N 1 0 307.846 4.272 50 0 DIAARO CC1(C)CNC(SCc2c(Cl)cccc2Cl)=[NH+]C1 ZINC000006881351 563898463 /nfs/dbraw/zinc/89/84/63/563898463.db2.gz RVEBBUMJSIHLHU-UHFFFAOYSA-N 1 0 303.258 4.212 50 0 DIAARO Cc1cc2oc(=O)cc(C[NH+]3CCCCCC3)c2cc1Cl ZINC000006936519 563899812 /nfs/dbraw/zinc/89/98/12/563899812.db2.gz CGGJZXFHLJDNEB-UHFFFAOYSA-N 1 0 305.805 4.131 50 0 DIAARO COc1ccc(C[NH2+]CCc2c(C)[nH]c3ccc(C)cc32)cc1 ZINC000036657771 563902398 /nfs/dbraw/zinc/90/23/98/563902398.db2.gz OOBRJJSUZQFNSX-UHFFFAOYSA-N 1 0 308.425 4.126 50 0 DIAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1cccc(F)c1 ZINC000036657753 563902413 /nfs/dbraw/zinc/90/24/13/563902413.db2.gz JEDDUNCGBFIVRX-UHFFFAOYSA-N 1 0 300.352 4.087 50 0 DIAARO CC(C)[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccncc1 ZINC000170053554 563903221 /nfs/dbraw/zinc/90/32/21/563903221.db2.gz SDASODUVCFULLE-MRXNPFEDSA-N 1 0 324.346 4.309 50 0 DIAARO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@@H](C)C1 ZINC000007384178 563905794 /nfs/dbraw/zinc/90/57/94/563905794.db2.gz WUEUUIXNSHDMAI-MNOVXSKESA-N 1 0 315.244 4.052 50 0 DIAARO C[C@H](c1ccco1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000170602815 563907427 /nfs/dbraw/zinc/90/74/27/563907427.db2.gz PBLIJGIWJAGNAC-WBMJQRKESA-N 1 0 323.339 4.016 50 0 DIAARO COC(CCCC(C)(C)CNc1cc(C)nc(C(C)C)n1)OC ZINC000170603325 563907518 /nfs/dbraw/zinc/90/75/18/563907518.db2.gz AZFKACJLNHFZBR-UHFFFAOYSA-N 1 0 323.481 4.136 50 0 DIAARO CC[C@H](C)[C@@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1 ZINC000002168043 563915666 /nfs/dbraw/zinc/91/56/66/563915666.db2.gz YHOBTARVXRPKOX-FUHWJXTLSA-N 1 0 305.462 4.091 50 0 DIAARO CC[C@@H](C)[C@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1C ZINC000003199768 563915829 /nfs/dbraw/zinc/91/58/29/563915829.db2.gz NEKPQBPYJZRPBN-APWZRJJASA-N 1 0 319.489 4.400 50 0 DIAARO CCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002190284 563917112 /nfs/dbraw/zinc/91/71/12/563917112.db2.gz LLLKFHBUBLEWAT-QGZVFWFLSA-N 1 0 302.462 4.205 50 0 DIAARO O=[N+]1C(c2ccccc2)=C(c2ccccc2)N(O)[C@@H]2CCCC[C@@H]21 ZINC000017722962 563923762 /nfs/dbraw/zinc/92/37/62/563923762.db2.gz ORDFLFRJKXTMTM-MSOLQXFVSA-N 1 0 321.400 4.307 50 0 DIAARO O=[N+]1C(c2ccccc2)=C(c2ccccc2)N(O)[C@H]2CCCC[C@@H]21 ZINC000033343848 563923923 /nfs/dbraw/zinc/92/39/23/563923923.db2.gz ORDFLFRJKXTMTM-ROUUACIJSA-N 1 0 321.400 4.307 50 0 DIAARO CCCCCOC[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000137514395 563924309 /nfs/dbraw/zinc/92/43/09/563924309.db2.gz XQTSZKJJIRJGAM-UHFFFAOYSA-N 1 0 309.433 4.141 50 0 DIAARO Clc1ccc(S[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000253425581 563925180 /nfs/dbraw/zinc/92/51/80/563925180.db2.gz FJMUWRSZDWHNIJ-HNNXBMFYSA-N 1 0 304.846 4.102 50 0 DIAARO O=C(C[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1)Nc1ccccc1 ZINC000079103707 563930295 /nfs/dbraw/zinc/93/02/95/563930295.db2.gz VWFOIORFOGTVHU-NQIIRXRSSA-N 1 0 320.436 4.026 50 0 DIAARO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000095967678 563932992 /nfs/dbraw/zinc/93/29/92/563932992.db2.gz GOKCWFVCCZJLHQ-CABCVRRESA-N 1 0 306.409 4.222 50 0 DIAARO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc2ccccc2o1 ZINC000095968313 563933200 /nfs/dbraw/zinc/93/32/00/563933200.db2.gz PLLXCXITFDWIDE-YVEFUNNKSA-N 1 0 301.411 4.053 50 0 DIAARO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000095968435 563933306 /nfs/dbraw/zinc/93/33/06/563933306.db2.gz HRAAAVFWZYJICW-PBHICJAKSA-N 1 0 312.413 4.045 50 0 DIAARO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000095985871 563934088 /nfs/dbraw/zinc/93/40/88/563934088.db2.gz ZVCGNOBNIWWTLP-ZDUSSCGKSA-N 1 0 307.397 4.204 50 0 DIAARO CCO[C@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C12CCC2 ZINC000095991292 563934466 /nfs/dbraw/zinc/93/44/66/563934466.db2.gz HJBOLBKDYODKDQ-KXIUCKCTSA-N 1 0 303.421 4.009 50 0 DIAARO CC[C@@H]1C[C@@H](C[N@@H+]2CCCCC[C@@H]2c2ccncc2)CCO1 ZINC000096003243 563934640 /nfs/dbraw/zinc/93/46/40/563934640.db2.gz GYZBBVXEBJAFNE-QXAKKESOSA-N 1 0 302.462 4.204 50 0 DIAARO Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([C@@H](C)O)C3)c2)cc1 ZINC000096003587 563934729 /nfs/dbraw/zinc/93/47/29/563934729.db2.gz RYPDREVQBFRYQL-DYESRHJHSA-N 1 0 309.453 4.255 50 0 DIAARO CC(C)(C)[NH2+]C[C@@](O)(c1cc2ccccc2o1)c1ccccc1 ZINC000096027700 563935165 /nfs/dbraw/zinc/93/51/65/563935165.db2.gz ASQLFPNCWHPNMB-FQEVSTJZSA-N 1 0 309.409 4.057 50 0 DIAARO C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cnccn1 ZINC000097037236 563937690 /nfs/dbraw/zinc/93/76/90/563937690.db2.gz LQQHFJQVEHGSOT-HOTGVXAUSA-N 1 0 310.445 4.024 50 0 DIAARO C[C@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1ccccc1)C1CC1 ZINC000032090149 563945395 /nfs/dbraw/zinc/94/53/95/563945395.db2.gz LWNXYDKNRVFMAG-ICSRJNTNSA-N 1 0 301.474 4.292 50 0 DIAARO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000008320455 563947894 /nfs/dbraw/zinc/94/78/94/563947894.db2.gz QFAWNFYYYMSLQE-INIZCTEOSA-N 1 0 314.454 4.141 50 0 DIAARO CCC(C)(C)[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000008394608 563948454 /nfs/dbraw/zinc/94/84/54/563948454.db2.gz PTVFCNXLKNBBNM-UHFFFAOYSA-N 1 0 302.462 4.131 50 0 DIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2c(C)cc(C)cc2c1=O ZINC000008713994 563949950 /nfs/dbraw/zinc/94/99/50/563949950.db2.gz AFMVRSMHFPBYEI-UHFFFAOYSA-N 1 0 300.446 4.488 50 0 DIAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717491 563950243 /nfs/dbraw/zinc/95/02/43/563950243.db2.gz CZTMFIADPBJBEN-UHFFFAOYSA-N 1 0 316.445 4.125 50 0 DIAARO Fc1ccccc1C[NH+]1CCC(COCc2ccccc2)CC1 ZINC000070655725 563956908 /nfs/dbraw/zinc/95/69/08/563956908.db2.gz LZXNAGOJCFEIOI-UHFFFAOYSA-N 1 0 313.416 4.255 50 0 DIAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000107058465 568415251 /nfs/dbraw/zinc/41/52/51/568415251.db2.gz UCZCMIPOXXIESO-QINHECLXSA-N 1 0 324.468 4.137 50 0 DIAARO CC(C)c1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000022146807 1036736595 /nfs/dbraw/zinc/73/65/95/1036736595.db2.gz PYEUFQQEZSBNID-QGZVFWFLSA-N 1 0 321.505 4.354 50 0 DIAARO CC1(C)C[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000160464560 1037070743 /nfs/dbraw/zinc/07/07/43/1037070743.db2.gz QQWGEJXCBISCOL-INIZCTEOSA-N 1 0 303.446 4.055 50 0 DIAARO COc1ccc(F)cc1C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000194964452 1040735219 /nfs/dbraw/zinc/73/52/19/1040735219.db2.gz GIOFKEALVUMFLJ-KRWDZBQOSA-N 1 0 315.388 4.010 50 0 DIAARO CCCC[NH2+]CCCCCOc1ccccc1Br ZINC000002899187 1041821733 /nfs/dbraw/zinc/82/17/33/1041821733.db2.gz GLYBSUSCFWUBOX-UHFFFAOYSA-N 1 0 314.267 4.388 50 0 DIAARO c1ccc2cc(OCC[n+]3ccc4ccccc4c3)ccc2c1 ZINC000047463096 1041829878 /nfs/dbraw/zinc/82/98/78/1041829878.db2.gz SXXUTJCAJTWZOE-UHFFFAOYSA-N 1 0 300.381 4.360 50 0 DIAARO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc2ccccc2o1 ZINC000108372365 1041914613 /nfs/dbraw/zinc/91/46/13/1041914613.db2.gz DSIBYAMNVHUIGR-YEWWUXTCSA-N 1 0 317.454 4.138 50 0 DIAARO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(C(F)(F)F)nc1Cl ZINC000585118322 1042232778 /nfs/dbraw/zinc/23/27/78/1042232778.db2.gz KKMSTLVSZCSZFC-BDAKNGLRSA-N 1 0 324.799 4.158 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cccc(Cl)c1Cl ZINC000005729587 1043212505 /nfs/dbraw/zinc/21/25/05/1043212505.db2.gz SXXGGFSUGFMPFD-VBNZEHGJSA-N 1 0 314.256 4.291 50 0 DIAARO C[N@H+](CC(=O)Nc1cccc2ccccc21)C1CCCCCC1 ZINC000012876848 1044250376 /nfs/dbraw/zinc/25/03/76/1044250376.db2.gz CUQHSBSQFAIXNL-UHFFFAOYSA-N 1 0 310.441 4.433 50 0 DIAARO Fc1ccc(N2CC[NH+](Cc3ccc4cccccc3-4)CC2)cc1 ZINC000054960011 1044620396 /nfs/dbraw/zinc/62/03/96/1044620396.db2.gz BXKQLJOEYHJHSH-UHFFFAOYSA-N 1 0 320.411 4.253 50 0 DIAARO c1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000126744560 1044815390 /nfs/dbraw/zinc/81/53/90/1044815390.db2.gz HXLMLYKUOVLKPG-NHCUHLMSSA-N 1 0 317.436 4.361 50 0 DIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](CCCC2CCCC2)C1 ZINC000015064752 1045561014 /nfs/dbraw/zinc/56/10/14/1045561014.db2.gz TWQKJYMAXYDLPU-OAQYLSRUSA-N 1 0 315.501 4.274 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(Cl)cc1Cl ZINC000248026284 1046528718 /nfs/dbraw/zinc/52/87/18/1046528718.db2.gz MFCPDRXLSFEJIH-NUEKZKHPSA-N 1 0 314.256 4.291 50 0 DIAARO C[N@H+](Cc1cc2ccccc2o1)Cc1ccc(N2CCCC2)nc1 ZINC000093689168 1046634350 /nfs/dbraw/zinc/63/43/50/1046634350.db2.gz RBJITGDLEXUTEJ-UHFFFAOYSA-N 1 0 321.424 4.060 50 0 DIAARO COc1ccc(Oc2cc(C[NH2+][C@H](C)C3(C)CC3)ccn2)cc1 ZINC000163475211 1046961964 /nfs/dbraw/zinc/96/19/64/1046961964.db2.gz KKVGBPJRWGGVBX-CQSZACIVSA-N 1 0 312.413 4.161 50 0 DIAARO c1ccc(CCN2CCC([NH2+]C3CCCCCCC3)CC2)cc1 ZINC000001229459 1047426877 /nfs/dbraw/zinc/42/68/77/1047426877.db2.gz WKMITWUTMMOHST-UHFFFAOYSA-N 1 0 314.517 4.396 50 0 DIAARO Cc1nc(C)c(C[NH2+]Cc2ccc(Cl)c3cccnc23)s1 ZINC000089559238 1047601789 /nfs/dbraw/zinc/60/17/89/1047601789.db2.gz TXLWKCYRAHFLBC-UHFFFAOYSA-N 1 0 317.845 4.251 50 0 DIAARO Cc1nc(C[NH2+]CC(C)(C)c2ccc3ccccc3c2)[nH]c1C ZINC000623784705 1047663587 /nfs/dbraw/zinc/66/35/87/1047663587.db2.gz GIZZXBSZSQXBMW-UHFFFAOYSA-N 1 0 307.441 4.247 50 0 DIAARO Fc1cccc(F)c1C1(NCc2n[nH]c3ccccc32)CCC1 ZINC000623844210 1047712678 /nfs/dbraw/zinc/71/26/78/1047712678.db2.gz LNDMRZLFBRFNQQ-UHFFFAOYSA-N 1 0 313.351 4.010 50 0 DIAARO Cc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000825175483 1050290783 /nfs/dbraw/zinc/29/07/83/1050290783.db2.gz FKJKLQPFMZQXNF-SFTDATJTSA-N 1 0 312.501 4.224 50 0 DIAARO Cc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000825175481 1050291050 /nfs/dbraw/zinc/29/10/50/1050291050.db2.gz FKJKLQPFMZQXNF-LEWJYISDSA-N 1 0 312.501 4.224 50 0 DIAARO C[C@@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1ccnn1C ZINC000192777455 1051011367 /nfs/dbraw/zinc/01/13/67/1051011367.db2.gz CAEQASJGKOTNQZ-OAHLLOKOSA-N 1 0 307.397 4.063 50 0 DIAARO CC(C)(C)C[C@@H]([NH2+]Cc1cnccc1Cl)c1cccnc1 ZINC000952868838 1051120800 /nfs/dbraw/zinc/12/08/00/1051120800.db2.gz BDOZEGNPBYPRPZ-MRXNPFEDSA-N 1 0 303.837 4.397 50 0 DIAARO CCCc1ccc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)o1 ZINC000952969404 1051122968 /nfs/dbraw/zinc/12/29/68/1051122968.db2.gz NEDGOVWPTVLGCA-GOSISDBHSA-N 1 0 319.470 4.239 50 0 DIAARO Cc1cc2cc(NC(=O)[C@@H](C)[N@H+](C)C3CCCCC3)ccc2o1 ZINC000952966082 1051123293 /nfs/dbraw/zinc/12/32/93/1051123293.db2.gz DDQBXENPDPPURI-CQSZACIVSA-N 1 0 314.429 4.333 50 0 DIAARO CC(=O)Nc1ccc2nc(C[NH2+][C@@H](C)C3=CCCCC3)ccc2c1 ZINC000952982677 1051126300 /nfs/dbraw/zinc/12/63/00/1051126300.db2.gz ZUBOPFPVGXSDDX-AWEZNQCLSA-N 1 0 323.440 4.172 50 0 DIAARO CCC[N@@H+]1C[C@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257174602 1055885821 /nfs/dbraw/zinc/88/58/21/1055885821.db2.gz IQLJOJRUBIGWLL-MRXNPFEDSA-N 1 0 311.429 4.106 50 0 DIAARO CSc1cccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000011937006 1056875030 /nfs/dbraw/zinc/87/50/30/1056875030.db2.gz SARXDVVTAUBHAE-SFHVURJKSA-N 1 0 312.482 4.485 50 0 DIAARO Clc1ccccc1Cc1noc(C[NH+]2CCCCCCC2)n1 ZINC000012314861 1057021412 /nfs/dbraw/zinc/02/14/12/1057021412.db2.gz SEKOMMYUMWVIJH-UHFFFAOYSA-N 1 0 319.836 4.080 50 0 DIAARO c1cncc(C[NH2+]Cc2ccc3[nH]c4c(c3c2)CCCCC4)c1 ZINC000012320308 1057022051 /nfs/dbraw/zinc/02/20/51/1057022051.db2.gz LTRWZFBETNNJBW-UHFFFAOYSA-N 1 0 305.425 4.122 50 0 DIAARO c1ccc(-c2noc(C[N@@H+]3CC[C@H](C4CCCCC4)C3)n2)cc1 ZINC000012443074 1057166412 /nfs/dbraw/zinc/16/64/12/1057166412.db2.gz YNXHWHFQCMPFOO-KRWDZBQOSA-N 1 0 311.429 4.139 50 0 DIAARO Cc1n[nH]cc1C1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000804710256 1057639689 /nfs/dbraw/zinc/63/96/89/1057639689.db2.gz BQIODKFXRKCQSL-UHFFFAOYSA-N 1 0 320.440 4.267 50 0 DIAARO CCCSc1ccc(NC(=O)[C@H]2CCCCC[N@@H+]2C)cc1 ZINC000822995961 1057817050 /nfs/dbraw/zinc/81/70/50/1057817050.db2.gz AZOHDDAWACRJDJ-MRXNPFEDSA-N 1 0 306.475 4.002 50 0 DIAARO Cc1cc(N2CCSCC2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC001529191738 1058634055 /nfs/dbraw/zinc/63/40/55/1058634055.db2.gz DZHUEUUKVDVAAX-UHFFFAOYSA-N 1 0 312.360 4.115 50 0 DIAARO CC(C)c1nccc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)n1 ZINC001506400052 1063506810 /nfs/dbraw/zinc/50/68/10/1063506810.db2.gz LTGWZKGJUITMRN-INIZCTEOSA-N 1 0 311.473 4.446 50 0 DIAARO Cc1ccc(N2CCC([NH2+][C@H](C)c3cccs3)CC2)cc1 ZINC001506407470 1063507044 /nfs/dbraw/zinc/50/70/44/1063507044.db2.gz WKHINGLYLBKLMQ-OAHLLOKOSA-N 1 0 300.471 4.376 50 0 DIAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC001506395974 1063507090 /nfs/dbraw/zinc/50/70/90/1063507090.db2.gz CGFZQBKYORHBDN-MRXNPFEDSA-N 1 0 324.468 4.137 50 0 DIAARO CCCC[N@H+](Cc1ccsc1)Cc1ccnc(C(C)C)n1 ZINC001506423755 1063509266 /nfs/dbraw/zinc/50/92/66/1063509266.db2.gz HXWJIPRYPXEUQJ-UHFFFAOYSA-N 1 0 303.475 4.464 50 0 DIAARO CC[C@@H]([NH2+]C1CCN(c2ccc(C)cc2)CC1)c1cccnc1 ZINC001506417492 1063509771 /nfs/dbraw/zinc/50/97/71/1063509771.db2.gz KOIMNCWEHCQUDJ-HXUWFJFHSA-N 1 0 309.457 4.100 50 0 DIAARO COc1ccc(C[NH2+][C@@H](CC(C)C)c2cccnc2)cc1F ZINC001506426976 1063509792 /nfs/dbraw/zinc/50/97/92/1063509792.db2.gz QXYZNOOBSZAOLY-KRWDZBQOSA-N 1 0 302.393 4.106 50 0 DIAARO Cc1nnc([C@@H](C)[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000079029822 185147623 /nfs/dbraw/zinc/14/76/23/185147623.db2.gz CZWOQKXIFLMJMK-GFCCVEGCSA-N 1 0 319.836 4.194 50 0 DIAARO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)c1ccccc1 ZINC000096954047 185393763 /nfs/dbraw/zinc/39/37/63/185393763.db2.gz QBGLFOAOTXJMSQ-QGZVFWFLSA-N 1 0 310.441 4.407 50 0 DIAARO CSC1(C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)CCOCC1 ZINC000090112825 185282634 /nfs/dbraw/zinc/28/26/34/185282634.db2.gz YEPQQJWSXLFBOJ-INIZCTEOSA-N 1 0 307.503 4.175 50 0 DIAARO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccs1 ZINC000090667858 185308891 /nfs/dbraw/zinc/30/88/91/185308891.db2.gz HTBRMQZBDPHVJK-GJZGRUSLSA-N 1 0 315.486 4.019 50 0 DIAARO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccsc1 ZINC000090668034 185309004 /nfs/dbraw/zinc/30/90/04/185309004.db2.gz XIZNDGOJCJZKHV-GJZGRUSLSA-N 1 0 315.486 4.019 50 0 DIAARO COCCCC[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000095398358 185353389 /nfs/dbraw/zinc/35/33/89/185353389.db2.gz VFNXKOUYOOJQRF-SFHVURJKSA-N 1 0 318.848 4.183 50 0 DIAARO COc1cc([C@H](C)[NH2+]Cc2ccco2)ccc1SC(F)F ZINC000095419192 185359845 /nfs/dbraw/zinc/35/98/45/185359845.db2.gz YKOOLVWHPGZBEE-JTQLQIEISA-N 1 0 313.369 4.454 50 0 DIAARO CC(C)C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccccn1 ZINC000095420788 185360344 /nfs/dbraw/zinc/36/03/44/185360344.db2.gz ABQJKDKIRNUCKK-LJQANCHMSA-N 1 0 320.440 4.144 50 0 DIAARO Cc1cc([C@@H]([NH2+]Cc2cc(C(N)=O)cs2)C(C)C)c(C)s1 ZINC000095427542 185362143 /nfs/dbraw/zinc/36/21/43/185362143.db2.gz FHOHLPDCKBOYEF-HNNXBMFYSA-N 1 0 322.499 4.012 50 0 DIAARO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3cccnc3)o2)C1 ZINC000097002169 185396466 /nfs/dbraw/zinc/39/64/66/185396466.db2.gz ADFHLPFLLVWNQB-HOCLYGCPSA-N 1 0 302.443 4.105 50 0 DIAARO CCOCc1cc(C[N@H+]([C@@H](C)C(C)C)C2CC2)ccc1OC ZINC000095453801 185369439 /nfs/dbraw/zinc/36/94/39/185369439.db2.gz SNSVPBUEADQCER-HNNXBMFYSA-N 1 0 305.462 4.241 50 0 DIAARO CC(C)[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccn1 ZINC000095437379 185365497 /nfs/dbraw/zinc/36/54/97/185365497.db2.gz LMPVAGMMIDOACK-INIZCTEOSA-N 1 0 324.346 4.309 50 0 DIAARO CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccncc1 ZINC000097017076 185397453 /nfs/dbraw/zinc/39/74/53/185397453.db2.gz FMCKBCIIHZGDEY-HNAYVOBHSA-N 1 0 323.440 4.010 50 0 DIAARO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](C(C)C)CCO3)s1 ZINC000067770718 190720562 /nfs/dbraw/zinc/72/05/62/190720562.db2.gz QWXWJRCIOPWULQ-UHFFFAOYSA-N 1 0 303.427 4.032 50 0 DIAARO Cc1c2cc(C)ccc2oc1C[N@@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000072133500 191044322 /nfs/dbraw/zinc/04/43/22/191044322.db2.gz CLDIPBSGDSYXDI-KRWDZBQOSA-N 1 0 323.440 4.158 50 0 DIAARO c1cc(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cs1 ZINC000072164133 191064008 /nfs/dbraw/zinc/06/40/08/191064008.db2.gz QLGMAMFYLYOTSM-CQSZACIVSA-N 1 0 311.454 4.079 50 0 DIAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(C)c(C)o2)CC1 ZINC000072169677 191068757 /nfs/dbraw/zinc/06/87/57/191068757.db2.gz JQVSXVMLQZOZBT-UHFFFAOYSA-N 1 0 311.425 4.019 50 0 DIAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000072418521 191157223 /nfs/dbraw/zinc/15/72/23/191157223.db2.gz LETNWDXGUXUJTE-HXUWFJFHSA-N 1 0 324.468 4.122 50 0 DIAARO Cc1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1 ZINC000001229214 180850399 /nfs/dbraw/zinc/85/03/99/180850399.db2.gz GZRSQMRGRMVOML-UHFFFAOYSA-N 1 0 313.424 4.334 50 0 DIAARO CCCC[N@H+](CC)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000003381059 181013765 /nfs/dbraw/zinc/01/37/65/181013765.db2.gz LUGKPWICKMNDAN-GOSISDBHSA-N 1 0 321.505 4.154 50 0 DIAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCCCC1 ZINC000003571842 181036623 /nfs/dbraw/zinc/03/66/23/181036623.db2.gz RBVGHRGLDHWTNA-INIZCTEOSA-N 1 0 308.425 4.167 50 0 DIAARO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)C12CC3CC(CC(C3)C1)C2 ZINC000003877091 181051866 /nfs/dbraw/zinc/05/18/66/181051866.db2.gz NBYVHZCBQXBVFZ-LFPRZYRFSA-N 1 0 323.484 4.268 50 0 DIAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000004030971 181065130 /nfs/dbraw/zinc/06/51/30/181065130.db2.gz OYNHPMMPKUTFQD-KSZLIROESA-N 1 0 319.489 4.121 50 0 DIAARO O[C@](CCc1ccccc1)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000004141805 181078398 /nfs/dbraw/zinc/07/83/98/181078398.db2.gz GQPXHWUIIKRGPJ-JOCHJYFZSA-N 1 0 323.480 4.383 50 0 DIAARO Clc1ccc(SCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000004472949 181111285 /nfs/dbraw/zinc/11/12/85/181111285.db2.gz UXFVOZGUWDNLPF-UHFFFAOYSA-N 1 0 303.858 4.490 50 0 DIAARO COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000004657444 181133055 /nfs/dbraw/zinc/13/30/55/181133055.db2.gz NTXCIUMEAPDNGT-GFCCVEGCSA-N 1 0 320.230 4.309 50 0 DIAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004678619 181135986 /nfs/dbraw/zinc/13/59/86/181135986.db2.gz YRILAPYWLCYBPK-UHFFFAOYSA-N 1 0 315.779 4.492 50 0 DIAARO COc1ccccc1CNc1[nH+]cc(-c2ccc(C)c(C)c2)n1C ZINC000004678845 181136242 /nfs/dbraw/zinc/13/62/42/181136242.db2.gz PNTNPBDIHZMYDX-UHFFFAOYSA-N 1 0 321.424 4.325 50 0 DIAARO CCCOc1ccc([C@@](O)(CCC)CC[NH+]2CCCCC2)cc1 ZINC000004716296 181141978 /nfs/dbraw/zinc/14/19/78/181141978.db2.gz SROKXKMTKYUSNU-HXUWFJFHSA-N 1 0 319.489 4.339 50 0 DIAARO C[n+]1ccccc1/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000004774710 181150197 /nfs/dbraw/zinc/15/01/97/181150197.db2.gz CQTOJRMZRPYUPH-JLHYYAGUSA-N 1 0 302.397 4.261 50 0 DIAARO CC(C)COc1ccc(Br)cc1C[NH2+]C(C)(C)C ZINC000004810856 181154587 /nfs/dbraw/zinc/15/45/87/181154587.db2.gz HJDFSZBWSAPAJK-UHFFFAOYSA-N 1 0 314.267 4.372 50 0 DIAARO Fc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1F ZINC000004990240 181186165 /nfs/dbraw/zinc/18/61/65/181186165.db2.gz UUIXSQDIWURWCK-UHFFFAOYSA-N 1 0 301.380 4.420 50 0 DIAARO Cc1ccc(COc2cccc(C[NH2+]Cc3cccnc3)c2)cc1 ZINC000004999708 181187860 /nfs/dbraw/zinc/18/78/60/181187860.db2.gz XFABEDDFKLFYQJ-UHFFFAOYSA-N 1 0 318.420 4.259 50 0 DIAARO C[C@@H]1[C@H](c2ccc(F)cc2)[NH2+][C@H](c2ccc(F)cc2)C[C@@]1(C)O ZINC000005007442 181190070 /nfs/dbraw/zinc/19/00/70/181190070.db2.gz DATTYGUWMMPCKZ-YJQAKTFBSA-N 1 0 317.379 4.128 50 0 DIAARO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000005018088 181190891 /nfs/dbraw/zinc/19/08/91/181190891.db2.gz DRTYOXXPPQRSHF-GOSISDBHSA-N 1 0 309.409 4.022 50 0 DIAARO C[C@@H]([NH2+]C1(c2ccccc2)CCCC1)[C@@H]1COc2ccccc2O1 ZINC000005254750 181222579 /nfs/dbraw/zinc/22/25/79/181222579.db2.gz ZNSMSWDLNQNJIQ-UZLBHIALSA-N 1 0 323.436 4.274 50 0 DIAARO COc1ccc2c(c1)[C@@H]([NH2+]Cc1c(C)noc1C)CCCS2 ZINC000187836205 200164077 /nfs/dbraw/zinc/16/40/77/200164077.db2.gz MWUHJBNXOFEMJZ-INIZCTEOSA-N 1 0 318.442 4.017 50 0 DIAARO c1cncc([C@@H]2CCCC[N@H+]2CCOc2ccc3c(c2)CCC3)c1 ZINC000006624606 181362419 /nfs/dbraw/zinc/36/24/19/181362419.db2.gz ZTWYFGQMBYHVSK-NRFANRHFSA-N 1 0 322.452 4.176 50 0 biogenic DIAARO CCc1cccc2c(C[NH2+]CCc3ccc(OC)cc3)c[nH]c21 ZINC000006784980 181387845 /nfs/dbraw/zinc/38/78/45/181387845.db2.gz RXCGUPYKWHKKOF-UHFFFAOYSA-N 1 0 308.425 4.071 50 0 DIAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000091780118 193106666 /nfs/dbraw/zinc/10/66/66/193106666.db2.gz MHMHSBOTITZJJA-CQSZACIVSA-N 1 0 321.827 4.075 50 0 DIAARO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)s1 ZINC000093102806 193203760 /nfs/dbraw/zinc/20/37/60/193203760.db2.gz QKTCBUHODUGECC-IIBYNOLFSA-N 1 0 319.495 4.131 50 0 DIAARO CN(C)[C@@H](C[NH2+]Cc1cccc2ccccc21)c1cccs1 ZINC000095377569 193437516 /nfs/dbraw/zinc/43/75/16/193437516.db2.gz WSRHGATZCHQSQN-SFHVURJKSA-N 1 0 310.466 4.294 50 0 DIAARO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1OC ZINC000015837264 182020162 /nfs/dbraw/zinc/02/01/62/182020162.db2.gz JPPOSOKDMYMWLR-QGZVFWFLSA-N 1 0 315.388 4.180 50 0 DIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)cc1 ZINC000015836895 182020233 /nfs/dbraw/zinc/02/02/33/182020233.db2.gz SUTDMLYAURSCEX-GOSISDBHSA-N 1 0 303.352 4.311 50 0 DIAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc(OC)c1 ZINC000015836844 182020542 /nfs/dbraw/zinc/02/05/42/182020542.db2.gz SGFFBVNVIQHNQW-HXUWFJFHSA-N 1 0 311.425 4.349 50 0 DIAARO Cc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCC3)cc1 ZINC000015952563 182026290 /nfs/dbraw/zinc/02/62/90/182026290.db2.gz RPVIDRATGHJBNB-UHFFFAOYSA-N 1 0 309.820 4.340 50 0 DIAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccccc1F ZINC000016322893 182040371 /nfs/dbraw/zinc/04/03/71/182040371.db2.gz PJBUWERFVONHMG-UHFFFAOYSA-N 1 0 317.404 4.301 50 0 DIAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000016606649 182053430 /nfs/dbraw/zinc/05/34/30/182053430.db2.gz HOYMMALPDVVFLT-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO Clc1ccccc1C[n+]1cc(-c2ccccc2)n2c1CCC2 ZINC000017208982 182080114 /nfs/dbraw/zinc/08/01/14/182080114.db2.gz WJTRDPWPQSRTMK-UHFFFAOYSA-N 1 0 309.820 4.091 50 0 DIAARO CSc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019842564 182156091 /nfs/dbraw/zinc/15/60/91/182156091.db2.gz ZWAUGLACBVVYJK-FUHWJXTLSA-N 1 0 318.530 4.105 50 0 DIAARO C[C@@H]1CCC[C@@H](N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)C1 ZINC000019831699 182155011 /nfs/dbraw/zinc/15/50/11/182155011.db2.gz IJNUPCMESUBVMN-CWQVBRBPSA-N 1 0 316.533 4.007 50 0 DIAARO c1cc(C2CCCC2)sc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019884363 182160574 /nfs/dbraw/zinc/16/05/74/182160574.db2.gz HJQFDWKXJHFQCV-KRWDZBQOSA-N 1 0 318.530 4.466 50 0 DIAARO O[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000019944864 182168892 /nfs/dbraw/zinc/16/88/92/182168892.db2.gz KKJGAZRIFJEPKA-RTWAWAEBSA-N 1 0 303.405 4.251 50 0 DIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccccc1Cl ZINC000020111831 182188390 /nfs/dbraw/zinc/18/83/90/182188390.db2.gz ZMRIRHYLUWAYNE-KRWDZBQOSA-N 1 0 312.800 4.065 50 0 biogenic DIAARO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(Br)cc1 ZINC000020127543 182189714 /nfs/dbraw/zinc/18/97/14/182189714.db2.gz JWRVWFSOKODUGN-RYUDHWBXSA-N 1 0 305.219 4.256 50 0 DIAARO Cc1ccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1 ZINC000020166818 182194254 /nfs/dbraw/zinc/19/42/54/182194254.db2.gz COAPJICCURBBLA-IAGOWNOFSA-N 1 0 319.489 4.171 50 0 DIAARO COc1cccc([C@@H]2CCCC[N@@H+]2CCc2c(C)noc2C)c1 ZINC000020205222 182197889 /nfs/dbraw/zinc/19/78/89/182197889.db2.gz CPGRFJGSNWZUNQ-IBGZPJMESA-N 1 0 314.429 4.070 50 0 DIAARO Cn1c2ccccc2c2c1[C@@]1(c3ccccc3)CCC[N@@H+]1CC2 ZINC000020410377 182214719 /nfs/dbraw/zinc/21/47/19/182214719.db2.gz KLBANMXKJPIDCF-NRFANRHFSA-N 1 0 302.421 4.074 50 0 biogenic DIAARO FC(F)(F)c1cccc(OCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000020322894 182206829 /nfs/dbraw/zinc/20/68/29/182206829.db2.gz YFPKVHFTEHUOFJ-UHFFFAOYSA-N 1 0 321.342 4.143 50 0 DIAARO CC(C)c1noc([C@H](C)[NH2+][C@H](C)Cc2ccc(Cl)cc2)n1 ZINC000020515134 182226452 /nfs/dbraw/zinc/22/64/52/182226452.db2.gz UXVQOURBLIWGRB-NEPJUHHUSA-N 1 0 307.825 4.128 50 0 DIAARO c1sc2c(c1CN1CC[NH+](C3CCCCC3)CC1)CCCC2 ZINC000020514297 182226650 /nfs/dbraw/zinc/22/66/50/182226650.db2.gz VSLVDLKOYTWBRD-UHFFFAOYSA-N 1 0 318.530 4.077 50 0 DIAARO C[C@@](O)(c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868830 182250738 /nfs/dbraw/zinc/25/07/38/182250738.db2.gz PZNFAGWWJOUVAD-LEWJYISDSA-N 1 0 309.453 4.164 50 0 DIAARO C[C@@](O)(c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868835 182250926 /nfs/dbraw/zinc/25/09/26/182250926.db2.gz PZNFAGWWJOUVAD-NHCUHLMSSA-N 1 0 309.453 4.164 50 0 DIAARO COc1ccc(CC[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000021505032 182276141 /nfs/dbraw/zinc/27/61/41/182276141.db2.gz FTRDCQDPAAWBTH-UHFFFAOYSA-N 1 0 310.224 4.334 50 0 DIAARO COc1cc(C[NH2+][C@H](C)c2ccccc2Cl)cc(OC)c1 ZINC000021805807 182291157 /nfs/dbraw/zinc/29/11/57/182291157.db2.gz PNTUBSGNYJMLHX-GFCCVEGCSA-N 1 0 305.805 4.208 50 0 DIAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000022197668 182312956 /nfs/dbraw/zinc/31/29/56/182312956.db2.gz SRYWGXGRTKKXAI-KRWDZBQOSA-N 1 0 322.452 4.414 50 0 DIAARO COc1cc2c(cc1C[NH2+][C@H](C)c1ccccc1C)O[C@@H](C)C2 ZINC000022777492 182333738 /nfs/dbraw/zinc/33/37/38/182333738.db2.gz GAOSVTVSRXCOEZ-LSDHHAIUSA-N 1 0 311.425 4.178 50 0 DIAARO CC[C@@H]1CCCC[N@@H+]1Cc1coc2ccc(Cl)cc2c1=O ZINC000023281586 182355364 /nfs/dbraw/zinc/35/53/64/182355364.db2.gz LSPRXSACERXIGE-CQSZACIVSA-N 1 0 305.805 4.211 50 0 DIAARO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)c1ccccc1 ZINC000023279920 182355481 /nfs/dbraw/zinc/35/54/81/182355481.db2.gz SMLAUWGKCMEACW-INIZCTEOSA-N 1 0 310.224 4.159 50 0 DIAARO C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)c1ccccc1 ZINC000023280103 182355618 /nfs/dbraw/zinc/35/56/18/182355618.db2.gz NPKAJJMXYLLONV-OAHLLOKOSA-N 1 0 310.224 4.159 50 0 DIAARO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)c1ccccc1 ZINC000023279917 182355825 /nfs/dbraw/zinc/35/58/25/182355825.db2.gz SMLAUWGKCMEACW-MRXNPFEDSA-N 1 0 310.224 4.159 50 0 DIAARO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCCc2ccccc21 ZINC000024829958 182392658 /nfs/dbraw/zinc/39/26/58/182392658.db2.gz DBKQBWBEEIPDOQ-OAQYLSRUSA-N 1 0 317.436 4.382 50 0 DIAARO Cc1c([C@@H](C)[NH2+]CCCc2ccccc2)cnn1-c1ccccc1 ZINC000039394443 183017873 /nfs/dbraw/zinc/01/78/73/183017873.db2.gz NWPIUUWEHUJODF-QGZVFWFLSA-N 1 0 319.452 4.464 50 0 DIAARO Cc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000039395942 183017941 /nfs/dbraw/zinc/01/79/41/183017941.db2.gz ICKPJOFWQXLABK-KRWDZBQOSA-N 1 0 305.425 4.251 50 0 DIAARO CC(C)(C)[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000040088638 183032851 /nfs/dbraw/zinc/03/28/51/183032851.db2.gz IBXLXTZKBHWQHL-LJQANCHMSA-N 1 0 311.425 4.335 50 0 DIAARO c1ccc(COc2ccc(OCC[C@@H]3CCCC[NH2+]3)cc2)cc1 ZINC000042773035 183306685 /nfs/dbraw/zinc/30/66/85/183306685.db2.gz ANBSFWNLFHOQPW-SFHVURJKSA-N 1 0 311.425 4.177 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H](C)C3CC3)c2cc1C(C)C ZINC000058394078 184112721 /nfs/dbraw/zinc/11/27/21/184112721.db2.gz TZWLATPMIYYXJE-CQSZACIVSA-N 1 0 313.441 4.455 50 0 DIAARO CCCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000060468310 184150009 /nfs/dbraw/zinc/15/00/09/184150009.db2.gz GPTHKQKXGFHOMJ-AWEZNQCLSA-N 1 0 322.880 4.029 50 0 DIAARO CCc1cc(-c2cccc([C@@H](C)[NH+](C)C)c2)ccc1NC(C)=O ZINC000065374329 184331447 /nfs/dbraw/zinc/33/14/47/184331447.db2.gz GRISLNQHTORSHK-CQSZACIVSA-N 1 0 310.441 4.497 50 0 DIAARO CCCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000065610299 184373072 /nfs/dbraw/zinc/37/30/72/184373072.db2.gz GPTHKQKXGFHOMJ-CQSZACIVSA-N 1 0 322.880 4.029 50 0 DIAARO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)(F)F ZINC000241170968 256603217 /nfs/dbraw/zinc/60/32/17/256603217.db2.gz KDEZORRRYXAKHW-RNJOBUHISA-N 1 0 317.351 4.192 50 0 DIAARO Clc1cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000252452928 256610874 /nfs/dbraw/zinc/61/08/74/256610874.db2.gz ORDWTQMJVXHERZ-KGLIPLIRSA-N 1 0 321.848 4.219 50 0 DIAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253500222 256616359 /nfs/dbraw/zinc/61/63/59/256616359.db2.gz ZSTQCIVAAMTXKR-CYQKWTRHSA-N 1 0 319.533 4.320 50 0 biogenic DIAARO CCCc1nnc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)s1 ZINC000426498570 257248701 /nfs/dbraw/zinc/24/87/01/257248701.db2.gz NJZLHHFRSYKDBR-CYBMUJFWSA-N 1 0 301.459 4.314 50 0 DIAARO Cc1nn(C(F)F)cc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000426431424 257250442 /nfs/dbraw/zinc/25/04/42/257250442.db2.gz VNYLFDLLRXIQRC-ZDUSSCGKSA-N 1 0 305.372 4.410 50 0 DIAARO C[C@H](c1ccc(-c2c[nH]nc2-c2ccncc2)cc1)[NH+]1CCCC1 ZINC000426412989 257250989 /nfs/dbraw/zinc/25/09/89/257250989.db2.gz PGRLUKGZJXRXDW-OAHLLOKOSA-N 1 0 318.424 4.296 50 0 DIAARO C(C1CCCCC1)N1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000244633358 257259589 /nfs/dbraw/zinc/25/95/89/257259589.db2.gz GBNBYPBMSVRMBX-PMACEKPBSA-N 1 0 304.522 4.296 50 0 DIAARO c1ccc([C@H]2C[N@@H+](C[C@H]3CCCCO3)Cc3ccccc32)cc1 ZINC000239637118 257259885 /nfs/dbraw/zinc/25/98/85/257259885.db2.gz BIWSCYRZAJFDGR-TZIWHRDSSA-N 1 0 307.437 4.203 50 0 DIAARO Cc1ccc(C[NH2+]CC(O)(c2ccccc2)c2ccccc2)cc1 ZINC000020219094 257268955 /nfs/dbraw/zinc/26/89/55/257268955.db2.gz HFQURHVTBHPWLD-UHFFFAOYSA-N 1 0 317.432 4.021 50 0 DIAARO CCC1CCC([NH+]2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000004980259 134466840 /nfs/dbraw/zinc/46/68/40/134466840.db2.gz FVTJDBHHUDZTIU-UHFFFAOYSA-N 1 0 300.490 4.394 50 0 DIAARO COc1ccccc1N1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000004981090 134466925 /nfs/dbraw/zinc/46/69/25/134466925.db2.gz OOAXGTRWFRTCCM-GOSISDBHSA-N 1 0 324.468 4.011 50 0 DIAARO CCC(=O)C(C[C@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001530707 416100232 /nfs/dbraw/zinc/10/02/32/416100232.db2.gz USSIQXCVUWKGNF-KRWDZBQOSA-N 1 0 309.453 4.292 50 0 fda DIAARO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)cn2c1 ZINC000560541549 332355426 /nfs/dbraw/zinc/35/54/26/332355426.db2.gz BDDOVKHSPUTCHY-GOSISDBHSA-N 1 0 305.425 4.022 50 0 DIAARO C[C@H](c1ccc(-c2ccc(O)c(CO)c2)cc1)[NH+]1CCCCC1 ZINC000534641274 334311445 /nfs/dbraw/zinc/31/14/45/334311445.db2.gz QGDOOMDIZDPYAO-OAHLLOKOSA-N 1 0 311.425 4.098 50 0 DIAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000023282738 336387356 /nfs/dbraw/zinc/38/73/56/336387356.db2.gz LESQVAZXTQEGBR-CQSZACIVSA-N 1 0 303.833 4.460 50 0 DIAARO Cc1cc(-c2nnc(C[NH2+][C@H](C)C3CCCCC3)o2)c(C)o1 ZINC000097373734 337382722 /nfs/dbraw/zinc/38/27/22/337382722.db2.gz ARUXENWLFIOMIX-GFCCVEGCSA-N 1 0 303.406 4.005 50 0 DIAARO Cc1cc(-c2nnc(C[NH2+][C@@H](C)C3CCCCC3)o2)c(C)o1 ZINC000097373733 337382724 /nfs/dbraw/zinc/38/27/24/337382724.db2.gz ARUXENWLFIOMIX-LBPRGKRZSA-N 1 0 303.406 4.005 50 0 DIAARO C[N@H+](Cc1cccnc1)Cc1cccc(OCc2ccccc2)c1 ZINC000132345611 341121137 /nfs/dbraw/zinc/12/11/37/341121137.db2.gz IPPDIFLBETUJFW-UHFFFAOYSA-N 1 0 318.420 4.293 50 0 DIAARO FC(F)(F)c1cccc([C@H]([NH2+]C2CCOCC2)C2CCC2)c1 ZINC000367439708 527686332 /nfs/dbraw/zinc/68/63/32/527686332.db2.gz WKWCHKGGXHOUDI-MRXNPFEDSA-N 1 0 313.363 4.315 50 0 DIAARO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@H](C)C1 ZINC000007384179 563905669 /nfs/dbraw/zinc/90/56/69/563905669.db2.gz WUEUUIXNSHDMAI-QWRGUYRKSA-N 1 0 315.244 4.052 50 0 DIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)c2ccsc2)c1 ZINC000095968797 563933261 /nfs/dbraw/zinc/93/32/61/563933261.db2.gz QJKHZCDCKGKKQP-QWHCGFSZSA-N 1 0 302.443 4.161 50 0 DIAARO CCC[N@H+](CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 ZINC000000004028 563211089 /nfs/dbraw/zinc/21/10/89/563211089.db2.gz KFQYTPMOWPVWEJ-INIZCTEOSA-N 1 0 315.482 4.266 50 0 fda DIAARO C[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000000207765 563230072 /nfs/dbraw/zinc/23/00/72/563230072.db2.gz HGTDJQUDDCDCRF-HNNXBMFYSA-N 1 0 306.881 4.036 50 0 DIAARO c1ccc(C[n+]2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000000226212 563231370 /nfs/dbraw/zinc/23/13/70/563231370.db2.gz ORONZDNPGWKLDX-UHFFFAOYSA-N 1 0 303.410 4.299 50 0 DIAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCC(c2ccccc2)CC1 ZINC000000280161 563235112 /nfs/dbraw/zinc/23/51/12/563235112.db2.gz UQNZQQKNENFRRR-ACBHZAAOSA-N 1 0 315.457 4.130 50 0 DIAARO Fc1ccc(C(OCC[NH+]2CCCC2)c2ccc(F)cc2)cc1 ZINC000000347711 563243128 /nfs/dbraw/zinc/24/31/28/563243128.db2.gz RKVNCXMGUVAYEF-UHFFFAOYSA-N 1 0 317.379 4.167 50 0 DIAARO CCOc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000001227476 563280011 /nfs/dbraw/zinc/28/00/11/563280011.db2.gz FZRFZTIOLIEYGR-UHFFFAOYSA-N 1 0 324.468 4.024 50 0 DIAARO CC1=CC[C@H]2CO[C@@H](c3ccc[n+](Cc4ccccc4)c3)[C@@H]1C2 ZINC000002099649 563300059 /nfs/dbraw/zinc/30/00/59/563300059.db2.gz TZFCVBGVAMRQAM-NRSPTQNISA-N 1 0 306.429 4.066 50 0 biogenic DIAARO CCC[N@H+](CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1 ZINC000002169415 563300875 /nfs/dbraw/zinc/30/08/75/563300875.db2.gz DEYFWGXTPWNADC-IBGZPJMESA-N 1 0 309.453 4.204 50 0 in-vitro DIAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000002515035 563305751 /nfs/dbraw/zinc/30/57/51/563305751.db2.gz JLZJAYUNRAEWFA-UHFFFAOYSA-N 1 0 315.363 4.182 50 0 DIAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1F ZINC000002515083 563305804 /nfs/dbraw/zinc/30/58/04/563305804.db2.gz OQFBJOFNVKPOMX-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO CCC1CCC(N(Cc2noc(C(C)(C)C)n2)C2CC2)CC1 ZINC000095356576 563325868 /nfs/dbraw/zinc/32/58/68/563325868.db2.gz UTQKJILWFCHDAL-UHFFFAOYSA-N 1 0 305.466 4.300 50 0 DIAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000004980282 563328061 /nfs/dbraw/zinc/32/80/61/563328061.db2.gz ILEGHFJUTIUDHF-UHFFFAOYSA-N 1 0 308.469 4.441 50 0 DIAARO C[N@H+]1C[C@@H](c2ccccc2F)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005525671 563329586 /nfs/dbraw/zinc/32/95/86/563329586.db2.gz LHJBCLDBYVWZGT-JKSUJKDBSA-N 1 0 317.791 4.007 50 0 DIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C2(c3ccccc3)CC2)cc1C ZINC000011664342 563359106 /nfs/dbraw/zinc/35/91/06/563359106.db2.gz BLJXSPSLPGDBJN-UHFFFAOYSA-N 1 0 317.436 4.472 50 0 DIAARO COc1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3C)c(C)o2)ccc1F ZINC000011765240 563359258 /nfs/dbraw/zinc/35/92/58/563359258.db2.gz QJNSZYQPALCSCG-LBPRGKRZSA-N 1 0 318.392 4.172 50 0 DIAARO COc1cccc(CC[C@H]2CCC[N@@H+](C3CCSCC3)C2)c1 ZINC000012209920 563364678 /nfs/dbraw/zinc/36/46/78/563364678.db2.gz PRQNZSDFJAGKIX-QGZVFWFLSA-N 1 0 319.514 4.235 50 0 DIAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2F)C1 ZINC000013143354 563379423 /nfs/dbraw/zinc/37/94/23/563379423.db2.gz LHJBCLDBYVWZGT-CVEARBPZSA-N 1 0 317.791 4.007 50 0 DIAARO Clc1ccc(OCC2CC[NH2+]CC2)c(Cc2ccccc2)c1 ZINC000014631522 563402138 /nfs/dbraw/zinc/40/21/38/563402138.db2.gz GWBAPTHHRHABQY-UHFFFAOYSA-N 1 0 315.844 4.309 50 0 DIAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)c1c[nH]c2ccccc12 ZINC000032909490 563410954 /nfs/dbraw/zinc/41/09/54/563410954.db2.gz JAMHMRAPUBRKHH-UHFFFAOYSA-N 1 0 318.420 4.230 50 0 DIAARO Cc1ncsc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000020993831 563417772 /nfs/dbraw/zinc/41/77/72/563417772.db2.gz AHKJXPXJLYFUGY-UHFFFAOYSA-N 1 0 304.434 4.045 50 0 DIAARO Cc1nc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2[nH]1 ZINC000010895996 563420081 /nfs/dbraw/zinc/42/00/81/563420081.db2.gz QQVSUJDNGIATIX-UHFFFAOYSA-N 1 0 320.179 4.430 50 0 DIAARO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1C ZINC000025365007 563422490 /nfs/dbraw/zinc/42/24/90/563422490.db2.gz OZKZHXDOQMUXSF-KRWDZBQOSA-N 1 0 320.440 4.043 50 0 DIAARO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1C ZINC000025365004 563422527 /nfs/dbraw/zinc/42/25/27/563422527.db2.gz OZKZHXDOQMUXSF-QGZVFWFLSA-N 1 0 320.440 4.043 50 0 DIAARO c1ccc([C@H]2C[N@@H+](CCc3ccncc3)Cc3ccccc32)cc1 ZINC000026098240 563424908 /nfs/dbraw/zinc/42/49/08/563424908.db2.gz AYRLMVVXRWWAIJ-JOCHJYFZSA-N 1 0 314.432 4.272 50 0 DIAARO CC(C)[NH+](CCNC(=O)Nc1cccc2ccccc21)C(C)C ZINC000011004655 563425171 /nfs/dbraw/zinc/42/51/71/563425171.db2.gz JFBPMUTVQGLSGC-UHFFFAOYSA-N 1 0 313.445 4.080 50 0 DIAARO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029484288 563434281 /nfs/dbraw/zinc/43/42/81/563434281.db2.gz TVBUDUAFDCWFPS-LJQANCHMSA-N 1 0 322.452 4.115 50 0 DIAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C)s2)cc1 ZINC000030641029 563437775 /nfs/dbraw/zinc/43/77/75/563437775.db2.gz CUFTXLYSVMILHY-CYBMUJFWSA-N 1 0 302.443 4.256 50 0 DIAARO C(=C/C1=CC[N@H+](Cc2ccccc2)CC1)\c1ccc2c(c1)OCO2 ZINC000000207642 563446690 /nfs/dbraw/zinc/44/66/90/563446690.db2.gz PXTSVXYDPGMZII-VOTSOKGWSA-N 1 0 319.404 4.261 50 0 DIAARO O[C@@H]1CCCC[C@@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001225615 563447942 /nfs/dbraw/zinc/44/79/42/563447942.db2.gz LXRYGMJORBWRRO-NHCUHLMSSA-N 1 0 309.453 4.240 50 0 DIAARO [NH3+]CC12C[C@@H]3C[C@H](C1)CC(c1ccc(Br)cc1)(C3)C2 ZINC000002471304 563448157 /nfs/dbraw/zinc/44/81/57/563448157.db2.gz LAHAHKMDUHNXDH-ZPVISIIKSA-N 1 0 320.274 4.246 50 0 DIAARO C/C=C/c1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000004885437 563449915 /nfs/dbraw/zinc/44/99/15/563449915.db2.gz NKDRALPQPHEJJV-AXHPFZFWSA-N 1 0 303.446 4.085 50 0 DIAARO COc1cc(C[NH2+]Cc2cccc3ccccc32)cc(OC)c1 ZINC000004997175 563450395 /nfs/dbraw/zinc/45/03/95/563450395.db2.gz XCNQBIYGAXEKQO-UHFFFAOYSA-N 1 0 307.393 4.147 50 0 DIAARO Cc1ccsc1CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000252427588 563451983 /nfs/dbraw/zinc/45/19/83/563451983.db2.gz LNYKFDYVUPKCTB-HKUYNNGSSA-N 1 0 318.530 4.285 50 0 DIAARO Cc1[nH+]c(N(Cc2ccccc2)Cc2ccccc2)ccc1N ZINC000036250992 563454829 /nfs/dbraw/zinc/45/48/29/563454829.db2.gz MMWPIWNLFXCWIJ-UHFFFAOYSA-N 1 0 303.409 4.179 50 0 DIAARO CC(C)([NH2+]Cc1ccccc1)c1ccc(Br)cc1 ZINC000037129030 563458244 /nfs/dbraw/zinc/45/82/44/563458244.db2.gz VLQLRNXYIAPDPQ-UHFFFAOYSA-N 1 0 304.231 4.474 50 0 DIAARO COCCC[NH2+]CC[C@@]1(CCC(C)C)CCO[C@@H](C(C)C)C1 ZINC000013655133 563468329 /nfs/dbraw/zinc/46/83/29/563468329.db2.gz BUASARGVQPMCPF-MOPGFXCFSA-N 1 0 313.526 4.260 50 0 DIAARO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cnc(NC(C)C)nc1 ZINC000055168126 563471629 /nfs/dbraw/zinc/47/16/29/563471629.db2.gz QXXGEVZNOKXKBW-AWEZNQCLSA-N 1 0 318.490 4.159 50 0 DIAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cnc(NC(C)C)nc1 ZINC000055168123 563472135 /nfs/dbraw/zinc/47/21/35/563472135.db2.gz QXXGEVZNOKXKBW-CQSZACIVSA-N 1 0 318.490 4.159 50 0 DIAARO CC[C@@H](C)[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccnc1 ZINC000055340824 563474317 /nfs/dbraw/zinc/47/43/17/563474317.db2.gz UGZBFCJOIAHPLS-QGZVFWFLSA-N 1 0 320.440 4.068 50 0 DIAARO CC1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000058191591 563478853 /nfs/dbraw/zinc/47/88/53/563478853.db2.gz KYWLHYZGYQYLJZ-UHFFFAOYSA-N 1 0 305.219 4.234 50 0 DIAARO Clc1cccc([C@H](NCc2cccnc2)c2ccccn2)c1 ZINC000096473241 563483820 /nfs/dbraw/zinc/48/38/20/563483820.db2.gz OZXJSTUEJFOEDM-SFHVURJKSA-N 1 0 309.800 4.009 50 0 DIAARO COc1ccc(Oc2ccc(Cl)cn2)cc1C[NH+]1CCCC1 ZINC000067755038 563490634 /nfs/dbraw/zinc/49/06/34/563490634.db2.gz KAMCEEXLSNMDMY-UHFFFAOYSA-N 1 0 318.804 4.132 50 0 DIAARO CC(C)c1cc(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)[nH]n1 ZINC000067847023 563492182 /nfs/dbraw/zinc/49/21/82/563492182.db2.gz IQYCWUNTVVIYRW-UHFFFAOYSA-N 1 0 322.456 4.394 50 0 DIAARO CC[NH+](CC)CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000000214 563504397 /nfs/dbraw/zinc/50/43/97/563504397.db2.gz BPWOKDWTZDTHNX-UHFFFAOYSA-N 1 0 312.438 4.158 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@@H]([C@H]1CC=CCC1)[NH2+]CC2 ZINC000000032785 563506395 /nfs/dbraw/zinc/50/63/95/563506395.db2.gz NQOAKPOUJMMSCV-IFXJQAMLSA-N 1 0 301.430 4.027 50 0 DIAARO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@@H](CCCOC)C1 ZINC000077490128 563511003 /nfs/dbraw/zinc/51/10/03/563511003.db2.gz PSVKDNQTKYXDDZ-KRWDZBQOSA-N 1 0 314.473 4.300 50 0 DIAARO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c(C)c1 ZINC000097227512 563513894 /nfs/dbraw/zinc/51/38/94/563513894.db2.gz XAVYDQIZCBQCFK-AOMKIAJQSA-N 1 0 315.482 4.200 50 0 DIAARO CN1CCCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000095857871 563530515 /nfs/dbraw/zinc/53/05/15/563530515.db2.gz RBSDTAAHXCEHHB-IBGZPJMESA-N 1 0 314.860 4.415 50 0 DIAARO C[C@@H](c1ccc(-c2csc(C(N)=O)c2)cc1)[NH+]1CCCCC1 ZINC000096164938 563534547 /nfs/dbraw/zinc/53/45/47/563534547.db2.gz SEIXABJTXFNIOK-ZDUSSCGKSA-N 1 0 314.454 4.061 50 0 DIAARO C[C@@H](c1ccc(-c2ccc(NC3CCCC3)nn2)cc1)[NH+](C)C ZINC000097766384 563542375 /nfs/dbraw/zinc/54/23/75/563542375.db2.gz VLTVFCSPBJMICS-AWEZNQCLSA-N 1 0 310.445 4.121 50 0 DIAARO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000100013519 563544711 /nfs/dbraw/zinc/54/47/11/563544711.db2.gz YHGHRIAZABSSGB-REPLKXPHSA-N 1 0 324.472 4.078 50 0 in-vitro DIAARO Fc1ccccc1C[n+]1cccc(-c2nc3ccccc3s2)c1 ZINC000226308025 563605392 /nfs/dbraw/zinc/60/53/92/563605392.db2.gz ATPKKVSLHXJGGY-UHFFFAOYSA-N 1 0 321.400 4.438 50 0 DIAARO COc1cc2cccnc2c(NCCCCCC[NH2+]C(C)C)c1 ZINC000001873658 563621526 /nfs/dbraw/zinc/62/15/26/563621526.db2.gz WYZOLWJQDGRXIJ-UHFFFAOYSA-N 1 0 315.461 4.214 50 0 DIAARO CO[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000000293452 563629228 /nfs/dbraw/zinc/62/92/28/563629228.db2.gz IUSFWLVPOJVAGO-CABCVRRESA-N 1 0 302.245 4.083 50 0 DIAARO C[C@@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cnccn1 ZINC000108462244 563688747 /nfs/dbraw/zinc/68/87/47/563688747.db2.gz LQQHFJQVEHGSOT-HZPDHXFCSA-N 1 0 310.445 4.024 50 0 DIAARO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1O ZINC000048301163 563695770 /nfs/dbraw/zinc/69/57/70/563695770.db2.gz JEHLEMJDVKCXLH-CQSZACIVSA-N 1 0 311.425 4.130 50 0 DIAARO COc1ccc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc1O ZINC000048324794 563696472 /nfs/dbraw/zinc/69/64/72/563696472.db2.gz PTPHKWHMVUFOBD-AWEZNQCLSA-N 1 0 307.393 4.405 50 0 DIAARO C[C@@H](c1cccnc1)N(C)Cc1cnc(C2CCCCC2)nc1 ZINC000215469744 563705637 /nfs/dbraw/zinc/70/56/37/563705637.db2.gz YRFJXMCRGSGNDI-HNNXBMFYSA-N 1 0 310.445 4.112 50 0 DIAARO c1csc([C@@H]2CCN2Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000223832208 563737011 /nfs/dbraw/zinc/73/70/11/563737011.db2.gz IMLQIDWHBJYQBU-INIZCTEOSA-N 1 0 318.511 4.352 50 0 DIAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000247812707 563782303 /nfs/dbraw/zinc/78/23/03/563782303.db2.gz BIWOHGQOCMGKSL-VSKRKVRLSA-N 1 0 321.464 4.339 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@H](c2cccs2)C(C)C)cc1 ZINC000035016934 563795567 /nfs/dbraw/zinc/79/55/67/563795567.db2.gz CWLGAOSWBCSHHR-KRWDZBQOSA-N 1 0 302.443 4.193 50 0 DIAARO c1ccc([C@@H]2C[C@H](c3noc(CC4CCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299799605 563806323 /nfs/dbraw/zinc/80/63/23/563806323.db2.gz UITORIBUKJGCKG-KSZLIROESA-N 1 0 323.440 4.105 50 0 DIAARO Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)C2CC2)cc1 ZINC000012679223 563809013 /nfs/dbraw/zinc/80/90/13/563809013.db2.gz WEOWKQPBMZJRIW-JXFKEZNVSA-N 1 0 322.452 4.371 50 0 DIAARO Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)C2CC2)cc1 ZINC000012679233 563809419 /nfs/dbraw/zinc/80/94/19/563809419.db2.gz WEOWKQPBMZJRIW-OXJNMPFZSA-N 1 0 322.452 4.371 50 0 DIAARO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000012674851 563809437 /nfs/dbraw/zinc/80/94/37/563809437.db2.gz YPENNPBZNWFSLJ-HNAYVOBHSA-N 1 0 308.425 4.063 50 0 DIAARO Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2)C2CC2)cc1 ZINC000012679018 563809510 /nfs/dbraw/zinc/80/95/10/563809510.db2.gz DMSUQMWEYKZPOX-KXBFYZLASA-N 1 0 308.425 4.063 50 0 DIAARO CCn1c2ccccc2nc1[C@@H]1CCCN1CCC(F)(F)F ZINC000084131106 563823519 /nfs/dbraw/zinc/82/35/19/563823519.db2.gz VJJZFBMILURQSH-AWEZNQCLSA-N 1 0 311.351 4.146 50 0 DIAARO c1sc(C[NH2+][C@H]2CCc3ccccc3C2)nc1-c1ccccc1 ZINC000084564645 563827565 /nfs/dbraw/zinc/82/75/65/563827565.db2.gz BJNJCCCXHQLMDG-SFHVURJKSA-N 1 0 320.461 4.457 50 0 DIAARO c1ccc([C@@H](CNc2nc3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000026081913 563842364 /nfs/dbraw/zinc/84/23/64/563842364.db2.gz GEGSGTRFUFJXAA-QGZVFWFLSA-N 1 0 307.397 4.077 50 0 DIAARO Cc1ccc(C(C)C)c(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020167341 563843106 /nfs/dbraw/zinc/84/31/06/563843106.db2.gz VCQXBKQYABSASJ-QZTJIDSGSA-N 1 0 319.489 4.387 50 0 DIAARO Clc1ccc2c(c1)nccc2SCC[NH+]1CCSCC1 ZINC000075106372 563859905 /nfs/dbraw/zinc/85/99/05/563859905.db2.gz RCFGLIDSCCNFAP-UHFFFAOYSA-N 1 0 324.902 4.029 50 0 DIAARO OC1CCC([NH2+][C@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000090800263 563876140 /nfs/dbraw/zinc/87/61/40/563876140.db2.gz MUECINOJDURIQD-SOAGJPPSSA-N 1 0 301.474 4.071 50 0 DIAARO CC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1c(C)noc1C ZINC000090886636 563876530 /nfs/dbraw/zinc/87/65/30/563876530.db2.gz ZHENVOOVVMCWIS-APPDUMDISA-N 1 0 315.417 4.052 50 0 DIAARO CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1c(C)noc1C ZINC000090886638 563876627 /nfs/dbraw/zinc/87/66/27/563876627.db2.gz ZHENVOOVVMCWIS-PIGZYNQJSA-N 1 0 315.417 4.052 50 0 DIAARO COC1CC[NH+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089409607 563885634 /nfs/dbraw/zinc/88/56/34/563885634.db2.gz HWAHEDPDXKSVQA-HNNXBMFYSA-N 1 0 300.229 4.092 50 0 DIAARO CC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099005 563893428 /nfs/dbraw/zinc/89/34/28/563893428.db2.gz NEWPPQAJZAGVAV-HXUWFJFHSA-N 1 0 315.432 4.216 50 0 DIAARO CCC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101964 563893787 /nfs/dbraw/zinc/89/37/87/563893787.db2.gz KKDIXXFVPBXLIQ-HXUWFJFHSA-N 1 0 315.432 4.297 50 0 DIAARO CN(Cc1noc(C2CC2)n1)C1CCC(c2ccccc2)CC1 ZINC000064798526 563894270 /nfs/dbraw/zinc/89/42/70/563894270.db2.gz QJUBCKGZTVVINB-UHFFFAOYSA-N 1 0 311.429 4.105 50 0 DIAARO CC(C)[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccncc1 ZINC000170053551 563903268 /nfs/dbraw/zinc/90/32/68/563903268.db2.gz SDASODUVCFULLE-INIZCTEOSA-N 1 0 324.346 4.309 50 0 DIAARO CCOc1ccc(C[NH2+][C@H]2CCCNc3ccccc32)cc1F ZINC000170085046 563903648 /nfs/dbraw/zinc/90/36/48/563903648.db2.gz UHSRESHHSGXHHV-SFHVURJKSA-N 1 0 314.404 4.261 50 0 DIAARO CC(C)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000007380729 563905812 /nfs/dbraw/zinc/90/58/12/563905812.db2.gz TUFJIZKCVIONJR-MRXNPFEDSA-N 1 0 310.441 4.269 50 0 DIAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(Cl)c2ccccc12 ZINC000002825194 563913106 /nfs/dbraw/zinc/91/31/06/563913106.db2.gz DCMLHASVCBLPNN-CQSZACIVSA-N 1 0 321.848 4.277 50 0 DIAARO CC[C@H](C)[C@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1C ZINC000003199770 563915806 /nfs/dbraw/zinc/91/58/06/563915806.db2.gz NEKPQBPYJZRPBN-LPHOPBHVSA-N 1 0 319.489 4.400 50 0 DIAARO COc1ccc(C[NH2+]CC[C@@]2(C(C)C)CCOC(C)(C)C2)cc1 ZINC000002206393 563917361 /nfs/dbraw/zinc/91/73/61/563917361.db2.gz BKIXVSLKBOMXIY-HXUWFJFHSA-N 1 0 319.489 4.406 50 0 DIAARO C[C@@H]1CCCC[N@@H+]1Cc1cncc(-c2cc(F)cc(F)c2)c1 ZINC000037554050 563918708 /nfs/dbraw/zinc/91/87/08/563918708.db2.gz PBZMFLASBQHION-CYBMUJFWSA-N 1 0 302.368 4.401 50 0 DIAARO CSC(C)(C)C[NH2+][C@H](C)c1ccc(OC2CCOCC2)cc1 ZINC000154324324 563926423 /nfs/dbraw/zinc/92/64/23/563926423.db2.gz YJPWITNVEKFTKK-CQSZACIVSA-N 1 0 323.502 4.037 50 0 DIAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253500221 563926628 /nfs/dbraw/zinc/92/66/28/563926628.db2.gz ZSTQCIVAAMTXKR-BGILOXMBSA-N 1 0 319.533 4.320 50 0 biogenic DIAARO Cc1cccn2cc(-c3ccccc3NC(=O)c3ccoc3)nc12 ZINC000390828084 563930797 /nfs/dbraw/zinc/93/07/97/563930797.db2.gz OLZNAWFCQWFJHG-UHFFFAOYSA-N 1 0 317.348 4.155 50 0 DIAARO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1C ZINC000095350738 563931096 /nfs/dbraw/zinc/93/10/96/563931096.db2.gz TXUWQXBBBXRWSF-IBGZPJMESA-N 1 0 310.441 4.480 50 0 DIAARO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000095420464 563931329 /nfs/dbraw/zinc/93/13/29/563931329.db2.gz XQMZYHSYNSWXSK-KGLIPLIRSA-N 1 0 316.470 4.127 50 0 DIAARO CC[C@@H]([NH2+]Cc1ccc(NC(=O)OC)cc1)c1cccs1 ZINC000095420441 563931344 /nfs/dbraw/zinc/93/13/44/563931344.db2.gz AMBFDOUHLPYPMU-CQSZACIVSA-N 1 0 304.415 4.167 50 0 DIAARO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000095967666 563932820 /nfs/dbraw/zinc/93/28/20/563932820.db2.gz ZESTVLWMCNLWIS-RRQGHBQHSA-N 1 0 303.450 4.043 50 0 DIAARO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000095969168 563933393 /nfs/dbraw/zinc/93/33/93/563933393.db2.gz ZSPDOSDVQDBVIC-ZDUSSCGKSA-N 1 0 321.465 4.317 50 0 DIAARO C[C@H]1C[C@@H](Nc2cccc(CCC(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000095980646 563934007 /nfs/dbraw/zinc/93/40/07/563934007.db2.gz PIYIBLCEFXOEIF-SWLSCSKDSA-N 1 0 312.379 4.219 50 0 DIAARO CC[NH+](CC)CCn1nc2cc(C)sc3c2c1ccc3C ZINC000096027792 563935015 /nfs/dbraw/zinc/93/50/15/563935015.db2.gz PBSGTHLZMQCHOU-UHFFFAOYSA-N 1 0 301.459 4.210 50 0 DIAARO c1ccc(CC2=CC[N@H+](CCCOc3ccccc3)CC2)cc1 ZINC000096027073 563935044 /nfs/dbraw/zinc/93/50/44/563935044.db2.gz OQXJUTXZFXDKKV-UHFFFAOYSA-N 1 0 307.437 4.330 50 0 DIAARO C[NH+](C)CCOC(c1ccccc1)(c1ccccc1)C(F)(F)F ZINC000096026540 563935136 /nfs/dbraw/zinc/93/51/36/563935136.db2.gz AJCRTBWKMYDPPY-UHFFFAOYSA-N 1 0 323.358 4.071 50 0 DIAARO CCCCC(=O)c1ccc(OCCC[NH+]2CCCCC2)cc1O ZINC000096028214 563935303 /nfs/dbraw/zinc/93/53/03/563935303.db2.gz GCGQDPXREAZKJW-UHFFFAOYSA-N 1 0 319.445 4.020 50 0 DIAARO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]CC(C)C)c2ccccc2)c1 ZINC000003280661 563943596 /nfs/dbraw/zinc/94/35/96/563943596.db2.gz JJABEPMTENYPQK-IBGZPJMESA-N 1 0 310.441 4.229 50 0 DIAARO COc1ccc2[nH]c(C[N@H+](C)Cc3ccsc3)c(C)c2c1 ZINC000670439146 563943639 /nfs/dbraw/zinc/94/36/39/563943639.db2.gz AVHLFIGIOMMKQN-UHFFFAOYSA-N 1 0 300.427 4.178 50 0 DIAARO CC(C)N1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC000670444659 563944034 /nfs/dbraw/zinc/94/40/34/563944034.db2.gz IKQSGWGAFSXFQN-UHFFFAOYSA-N 1 0 308.425 4.112 50 0 DIAARO Cc1ccc(C)c(NC(=O)CN(C)Cc2ccc(Cl)s2)c1 ZINC000008159067 563947048 /nfs/dbraw/zinc/94/70/48/563947048.db2.gz QZDYIKUXJGHQSM-UHFFFAOYSA-N 1 0 322.861 4.089 50 0 DIAARO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccccc32)cc1 ZINC000008314498 563947834 /nfs/dbraw/zinc/94/78/34/563947834.db2.gz YBSKUYQIWSCGTN-INIZCTEOSA-N 1 0 322.452 4.050 50 0 DIAARO CCC[NH+](CCC)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714058 563949994 /nfs/dbraw/zinc/94/99/94/563949994.db2.gz WGZOBPKTLYUUSE-UHFFFAOYSA-N 1 0 300.446 4.488 50 0 DIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717407 563950105 /nfs/dbraw/zinc/95/01/05/563950105.db2.gz SUCBMENYHXHCDP-UHFFFAOYSA-N 1 0 300.446 4.488 50 0 DIAARO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000010311082 563958709 /nfs/dbraw/zinc/95/87/09/563958709.db2.gz OZWLWPGLKFTNBE-LJQANCHMSA-N 1 0 308.425 4.079 50 0 DIAARO Cc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000001793818 568413896 /nfs/dbraw/zinc/41/38/96/568413896.db2.gz XMKGLDDJGFNIKR-UHFFFAOYSA-N 1 0 309.820 4.340 50 0 DIAARO C[N@H+](CC(=O)N(C1=CCCCC1)C1CC1)[C@H]1CCc2ccccc21 ZINC000071794782 568419884 /nfs/dbraw/zinc/41/98/84/568419884.db2.gz MOBUFUJHUCTYCK-FQEVSTJZSA-N 1 0 324.468 4.055 50 0 DIAARO Cc1nn(C)c(C)c1CC[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000071816980 568419957 /nfs/dbraw/zinc/41/99/57/568419957.db2.gz AAOYIRMECNNXDM-UHFFFAOYSA-N 1 0 319.452 4.036 50 0 DIAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000001203162 568421290 /nfs/dbraw/zinc/42/12/90/568421290.db2.gz OYNHPMMPKUTFQD-KZNAEPCWSA-N 1 0 319.489 4.121 50 0 DIAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c(C)c1C ZINC000022022977 1036452757 /nfs/dbraw/zinc/45/27/57/1036452757.db2.gz HJLKLNUZFDYSGB-LJQANCHMSA-N 1 0 310.441 4.434 50 0 DIAARO Cc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000022078111 1036537989 /nfs/dbraw/zinc/53/79/89/1036537989.db2.gz FKJKLQPFMZQXNF-RTWAWAEBSA-N 1 0 312.501 4.224 50 0 DIAARO CC[NH+](CC)CC/C=C\C1(O)c2ccccc2-c2ccccc21 ZINC000033935984 1040161713 /nfs/dbraw/zinc/16/17/13/1040161713.db2.gz FGQSXDMCBOCBRH-DHDCSXOGSA-N 1 0 307.437 4.191 50 0 DIAARO Cc1oc(-c2cccc(C)c2)nc1CN(C)Cc1ccncc1C ZINC000023505859 1040838886 /nfs/dbraw/zinc/83/88/86/1040838886.db2.gz HRPDLDAPVXEWLP-UHFFFAOYSA-N 1 0 321.424 4.294 50 0 DIAARO COc1ccc(Oc2cc(C[NH2+][C@H](C)C3CCC3)ccn2)cc1 ZINC000178197659 1041053672 /nfs/dbraw/zinc/05/36/72/1041053672.db2.gz CZQJUEUVUJVJGQ-CQSZACIVSA-N 1 0 312.413 4.161 50 0 DIAARO CC(C)Oc1cccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000136699949 1041592471 /nfs/dbraw/zinc/59/24/71/1041592471.db2.gz RMPZRDRENLPKBK-QGZVFWFLSA-N 1 0 303.446 4.055 50 0 DIAARO CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@H](C[NH3+])C4)s1 ZINC000299778045 1041823656 /nfs/dbraw/zinc/82/36/56/1041823656.db2.gz PXNOYXTWTSWGDP-AWEZNQCLSA-N 1 0 323.417 4.033 50 0 DIAARO Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([C@H](C)O)C3)c2)cc1 ZINC000108386988 1041914788 /nfs/dbraw/zinc/91/47/88/1041914788.db2.gz RYPDREVQBFRYQL-UWJYYQICSA-N 1 0 309.453 4.255 50 0 DIAARO COc1cccc(N2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)c1 ZINC000006248328 1042255290 /nfs/dbraw/zinc/25/52/90/1042255290.db2.gz VXKXRZJLYIOSDF-GOSISDBHSA-N 1 0 324.468 4.011 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccc(F)cc2)c2ccccc12 ZINC000888096392 1042263327 /nfs/dbraw/zinc/26/33/27/1042263327.db2.gz SXZIZWVBNSYOAU-UHFFFAOYSA-N 1 0 309.384 4.320 50 0 DIAARO c1ccc([C@H](CC2CCC2)[NH2+][C@@H]2COCc3ncccc32)cc1 ZINC000888101079 1042266214 /nfs/dbraw/zinc/26/62/14/1042266214.db2.gz YQDUKRNXPURFRL-AZUAARDMSA-N 1 0 308.425 4.174 50 0 DIAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1ccc2cccc(Cl)c2n1 ZINC000215979039 1044343009 /nfs/dbraw/zinc/34/30/09/1044343009.db2.gz MZNDLRKVZFNVNO-INIZCTEOSA-N 1 0 318.848 4.279 50 0 DIAARO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](C(C)C)C2 ZINC000014976020 1045562171 /nfs/dbraw/zinc/56/21/71/1045562171.db2.gz NVKXPUWJUPMEMC-UHFFFAOYSA-N 1 0 317.454 4.335 50 0 DIAARO Fc1ccccc1CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000621436170 1046260906 /nfs/dbraw/zinc/26/09/06/1046260906.db2.gz JDEJKPIDESTDOZ-WOJBJXKFSA-N 1 0 316.464 4.055 50 0 DIAARO CCC(CC)[NH+]1CCC(F)(c2nc(-c3ccccc3)no2)CC1 ZINC000253411153 1047102868 /nfs/dbraw/zinc/10/28/68/1047102868.db2.gz OGRPXRNRVRTTSZ-UHFFFAOYSA-N 1 0 317.408 4.186 50 0 DIAARO CC[N@H+](Cc1cc(C)nc2ccccc12)[C@H]1CCOC(C)(C)C1 ZINC000810044110 1048223357 /nfs/dbraw/zinc/22/33/57/1048223357.db2.gz XVANFDAUGXMFCZ-KRWDZBQOSA-N 1 0 312.457 4.323 50 0 DIAARO Cc1cc([C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)n(C)n1 ZINC000793514296 1048647213 /nfs/dbraw/zinc/64/72/13/1048647213.db2.gz FEOQXJOPWOSSFC-INIZCTEOSA-N 1 0 305.425 4.169 50 0 DIAARO Cc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000825175482 1050291543 /nfs/dbraw/zinc/29/15/43/1050291543.db2.gz FKJKLQPFMZQXNF-NHCUHLMSSA-N 1 0 312.501 4.224 50 0 DIAARO O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c3ccccc3oc21 ZINC000828870086 1050503451 /nfs/dbraw/zinc/50/34/51/1050503451.db2.gz SQVCSIJHPKHWSL-ZSHCYNCHSA-N 1 0 307.393 4.074 50 0 DIAARO CO[C@@H]1CCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000581803442 1051318795 /nfs/dbraw/zinc/31/87/95/1051318795.db2.gz LWVJPEVUEHIHKM-OAHLLOKOSA-N 1 0 313.363 4.096 50 0 DIAARO Cc1cnc(C2CCC2)n1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581808070 1051321538 /nfs/dbraw/zinc/32/15/38/1051321538.db2.gz PKJVUCHWUIOQBM-LJQANCHMSA-N 1 0 323.484 4.371 50 0 DIAARO CC(=O)N1c2ccccc2C[C@@H]([NH+]2CCCCC2)c2ccccc21 ZINC000005480928 1051352164 /nfs/dbraw/zinc/35/21/64/1051352164.db2.gz LGRLWLTYDLWDCA-OAQYLSRUSA-N 1 0 320.436 4.454 50 0 DIAARO Cc1cc2oc(=O)cc(C[NH+]3CCC(C)CC3)c2c(C)c1Cl ZINC000002230661 1055959379 /nfs/dbraw/zinc/95/93/79/1055959379.db2.gz MFBJDZHOGWNGIV-UHFFFAOYSA-N 1 0 319.832 4.295 50 0 biogenic DIAARO CSc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000011937005 1056873884 /nfs/dbraw/zinc/87/38/84/1056873884.db2.gz SARXDVVTAUBHAE-GOSISDBHSA-N 1 0 312.482 4.485 50 0 DIAARO CCc1[nH]c2ccc(C[NH2+][C@@H](C)Cn3nc(C)cc3C)cc2c1C ZINC000012192773 1056989951 /nfs/dbraw/zinc/98/99/51/1056989951.db2.gz KLYTVZUDSOXNSK-AWEZNQCLSA-N 1 0 324.472 4.030 50 0 DIAARO CCCO[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001529126083 1058617299 /nfs/dbraw/zinc/61/72/99/1058617299.db2.gz WTLCWWOXIQHMGM-INIZCTEOSA-N 1 0 315.379 4.405 50 0 DIAARO CCc1nccn1CCC[NH2+]Cc1ccc(C2CCCC2)s1 ZINC001506401981 1063506986 /nfs/dbraw/zinc/50/69/86/1063506986.db2.gz PEMYBKHFTGHFTC-UHFFFAOYSA-N 1 0 317.502 4.345 50 0 DIAARO Cc1nnc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCCCC2)o1 ZINC000079029805 185147478 /nfs/dbraw/zinc/14/74/78/185147478.db2.gz PULYQVVBYLGGSZ-CYBMUJFWSA-N 1 0 317.408 4.070 50 0 DIAARO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccsc1 ZINC000090668036 185308851 /nfs/dbraw/zinc/30/88/51/185308851.db2.gz XIZNDGOJCJZKHV-CABCVRRESA-N 1 0 315.486 4.019 50 0 DIAARO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cccs1 ZINC000090667861 185308899 /nfs/dbraw/zinc/30/88/99/185308899.db2.gz HTBRMQZBDPHVJK-HUUCEWRRSA-N 1 0 315.486 4.019 50 0 DIAARO Cc1csc([C@@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)n1 ZINC000092788361 185341340 /nfs/dbraw/zinc/34/13/40/185341340.db2.gz DXBWWSBZQMAPQR-CYBMUJFWSA-N 1 0 319.499 4.165 50 0 DIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000095419640 185360015 /nfs/dbraw/zinc/36/00/15/185360015.db2.gz ULRGCDJWYHJUOE-SJKOYZFVSA-N 1 0 312.438 4.143 50 0 DIAARO CC[C@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccncc1 ZINC000097017078 185397517 /nfs/dbraw/zinc/39/75/17/185397517.db2.gz FMCKBCIIHZGDEY-BEFAXECRSA-N 1 0 323.440 4.010 50 0 DIAARO Cc1ccc([C@H](C[NH2+][C@H](C)CSC(C)(C)C)N2CCCC2)o1 ZINC000097016744 185397588 /nfs/dbraw/zinc/39/75/88/185397588.db2.gz GQVIHCFILKMKMY-ZBFHGGJFSA-N 1 0 324.534 4.235 50 0 DIAARO Cc1ccc([C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)N2CCCC2)o1 ZINC000097016739 185397601 /nfs/dbraw/zinc/39/76/01/185397601.db2.gz GQVIHCFILKMKMY-GOEBONIOSA-N 1 0 324.534 4.235 50 0 DIAARO C[N@H+](Cc1cc(-c2ccccn2)no1)[C@H]1CCCc2ccccc21 ZINC000072143987 191050793 /nfs/dbraw/zinc/05/07/93/191050793.db2.gz LKDXRTJGTUQABC-FQEVSTJZSA-N 1 0 319.408 4.246 50 0 DIAARO CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2cc(F)cc(Cl)c2)C1 ZINC000072158099 191061517 /nfs/dbraw/zinc/06/15/17/191061517.db2.gz OASJXYKEFVGGIY-CQSZACIVSA-N 1 0 312.860 4.031 50 0 DIAARO CCn1cc(C[N@@H+]2CCCC[C@H]2c2cccc(F)c2)c(C)n1 ZINC000072453848 191170958 /nfs/dbraw/zinc/17/09/58/191170958.db2.gz UBPMSHHPPCSOKW-SFHVURJKSA-N 1 0 301.409 4.078 50 0 DIAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000072463758 191174354 /nfs/dbraw/zinc/17/43/54/191174354.db2.gz SOQYMHKAFLWDMS-AWEZNQCLSA-N 1 0 322.499 4.039 50 0 DIAARO O=C(CC[NH+]1CCCCC1)Nc1ccc(C2CCCC2)cc1 ZINC000000347552 180763410 /nfs/dbraw/zinc/76/34/10/180763410.db2.gz BSGLADLDJGGVCM-UHFFFAOYSA-N 1 0 300.446 4.159 50 0 DIAARO [NH3+]CCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001883097 180900782 /nfs/dbraw/zinc/90/07/82/180900782.db2.gz NKIPRDISYSAKLQ-UHFFFAOYSA-N 1 0 308.423 4.324 50 0 DIAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCCCC1 ZINC000003571843 181036476 /nfs/dbraw/zinc/03/64/76/181036476.db2.gz RBVGHRGLDHWTNA-MRXNPFEDSA-N 1 0 308.425 4.167 50 0 DIAARO Cc1cc2oc(=O)cc(C[NH+]3CCC(C)CC3)c2cc1C(C)C ZINC000003538733 181031312 /nfs/dbraw/zinc/03/13/12/181031312.db2.gz HNPUVFYIKWLZLB-UHFFFAOYSA-N 1 0 313.441 4.457 50 0 DIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@@H]1CC=C(C)C[C@H]1C ZINC000004029031 181064400 /nfs/dbraw/zinc/06/44/00/181064400.db2.gz SSBXMBLMSWKYIH-ZXYWRSMDSA-N 1 0 310.441 4.356 50 0 biogenic DIAARO Cc1ccc([C@](O)(CC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004141802 181078523 /nfs/dbraw/zinc/07/85/23/181078523.db2.gz NFQNJBIQNAMAAK-NRFANRHFSA-N 1 0 309.453 4.107 50 0 DIAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)[NH+]1CCCCC1 ZINC000004247768 181087607 /nfs/dbraw/zinc/08/76/07/181087607.db2.gz QJYUEUWLUZNUPR-HXUWFJFHSA-N 1 0 305.425 4.447 50 0 DIAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 ZINC000004298687 181094551 /nfs/dbraw/zinc/09/45/51/181094551.db2.gz OQZOUFRJMFWKRA-SFAMEIPESA-N 1 0 313.441 4.110 50 0 DIAARO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000004264062 181089193 /nfs/dbraw/zinc/08/91/93/181089193.db2.gz FCQJRYIQFHLBRG-WMZOPIPTSA-N 1 0 319.489 4.204 50 0 DIAARO CC(C)(O)C(C)(C)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000004322007 181098068 /nfs/dbraw/zinc/09/80/68/181098068.db2.gz CMAHNYRJNQYCBS-UHFFFAOYSA-N 1 0 311.469 4.486 50 0 DIAARO Cc1cccc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000004351159 181101062 /nfs/dbraw/zinc/10/10/62/181101062.db2.gz IOBQRLGTNWEFBX-UHFFFAOYSA-N 1 0 308.469 4.091 50 0 DIAARO CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2)cc1OC ZINC000004657531 181132784 /nfs/dbraw/zinc/13/27/84/181132784.db2.gz TZGDNTBRAULIKG-UHFFFAOYSA-N 1 0 305.805 4.037 50 0 DIAARO Fc1ccc(COc2cccc(C[NH2+]Cc3cccnc3)c2)cc1 ZINC000004675933 181135367 /nfs/dbraw/zinc/13/53/67/181135367.db2.gz AJTLMMADSZFVTJ-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1cccc(C)c1 ZINC000004679215 181136336 /nfs/dbraw/zinc/13/63/36/181136336.db2.gz OTCGKSYYKOSSPD-UHFFFAOYSA-N 1 0 321.424 4.117 50 0 DIAARO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000004841255 181161420 /nfs/dbraw/zinc/16/14/20/181161420.db2.gz WNQWKNYRARRXAP-UHFFFAOYSA-N 1 0 319.832 4.346 50 0 DIAARO CC(=O)c1cccc(OCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004842761 181162061 /nfs/dbraw/zinc/16/20/61/181162061.db2.gz HXBFXVRDQYUEQL-IYBDPMFKSA-N 1 0 303.446 4.026 50 0 DIAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004942871 181176880 /nfs/dbraw/zinc/17/68/80/181176880.db2.gz WHYMIYDTVBPNCA-NSHDSACASA-N 1 0 314.212 4.114 50 0 DIAARO COc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1C ZINC000004986130 181185176 /nfs/dbraw/zinc/18/51/76/181185176.db2.gz YULHBMCCRFFKAG-UHFFFAOYSA-N 1 0 311.400 4.432 50 0 DIAARO CCC[N@@H+](Cc1cc(Br)ccc1OC)CC1CC1 ZINC000004989116 181185884 /nfs/dbraw/zinc/18/58/84/181185884.db2.gz ZDVHQYYZRGCWPP-UHFFFAOYSA-N 1 0 312.251 4.080 50 0 DIAARO O=C(C[NH+]1CCCC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000005043966 181196321 /nfs/dbraw/zinc/19/63/21/181196321.db2.gz MAVXRPCYLZJUGF-OTXOEQGISA-N 1 0 323.480 4.190 50 0 DIAARO C[C@@H]([NH2+]C1(c2ccccc2)CCCC1)[C@H]1COc2ccccc2O1 ZINC000005254756 181222541 /nfs/dbraw/zinc/22/25/41/181222541.db2.gz ZNSMSWDLNQNJIQ-OXQOHEQNSA-N 1 0 323.436 4.274 50 0 DIAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(F)cc3)n2C)cc1C ZINC000006420779 181339687 /nfs/dbraw/zinc/33/96/87/181339687.db2.gz JCIZNUWAUXDYKS-UHFFFAOYSA-N 1 0 309.388 4.455 50 0 DIAARO C[C@H](C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000194525272 201244247 /nfs/dbraw/zinc/24/42/47/201244247.db2.gz GQRGWLSLRWXXHQ-MSOLQXFVSA-N 1 0 323.484 4.000 50 0 DIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccccc3)n2C)cc1 ZINC000006621174 181361478 /nfs/dbraw/zinc/36/14/78/181361478.db2.gz GALUVOOWDHAHSI-UHFFFAOYSA-N 1 0 307.397 4.098 50 0 DIAARO Cc1ccc2c(C[N@H+](C)Cc3ccccc3C)cc(=O)oc2c1C ZINC000006626435 181362308 /nfs/dbraw/zinc/36/23/08/181362308.db2.gz RXMRVUXDYLSHTD-UHFFFAOYSA-N 1 0 321.420 4.350 50 0 DIAARO O=C(C[NH+]1CCCCCC1)Nc1ccccc1Oc1ccccc1 ZINC000006638447 181363752 /nfs/dbraw/zinc/36/37/52/181363752.db2.gz OOTPNJLQHSSVBC-UHFFFAOYSA-N 1 0 324.424 4.293 50 0 DIAARO Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCCC[C@H]3O)cs2)cs1 ZINC000252535966 202862659 /nfs/dbraw/zinc/86/26/59/202862659.db2.gz HHYOALFLDJVXJW-PSOPSSQASA-N 1 0 322.499 4.134 50 0 DIAARO C[C@@H]1C[C@H](Nc2cccc(CCC(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000095980643 193474515 /nfs/dbraw/zinc/47/45/15/193474515.db2.gz PIYIBLCEFXOEIF-DOMZBBRYSA-N 1 0 312.379 4.219 50 0 DIAARO C[NH+](C)C1(CNC(=O)c2ccc3ccccc3c2)CCCCCC1 ZINC000012863659 181804973 /nfs/dbraw/zinc/80/49/73/181804973.db2.gz WZDHKTJWEDLPSF-UHFFFAOYSA-N 1 0 324.468 4.224 50 0 DIAARO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc(OC)c1 ZINC000015837273 182020155 /nfs/dbraw/zinc/02/01/55/182020155.db2.gz LOIXQSUGQOKIOS-IBGZPJMESA-N 1 0 315.388 4.180 50 0 DIAARO Cc1ccc(-c2c[n+](Cc3cccc(C)c3)c3n2CCC3)cc1 ZINC000017209266 182079925 /nfs/dbraw/zinc/07/99/25/182079925.db2.gz YHKHZCVJBJOAEA-UHFFFAOYSA-N 1 0 303.429 4.054 50 0 DIAARO COc1ccccc1CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000019721106 182138750 /nfs/dbraw/zinc/13/87/50/182138750.db2.gz UFWRXKCMAARLBO-UHFFFAOYSA-N 1 0 309.331 4.046 50 0 DIAARO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019608858 182133764 /nfs/dbraw/zinc/13/37/64/182133764.db2.gz MFUAJHUBRUTBJC-CYBMUJFWSA-N 1 0 323.358 4.435 50 0 DIAARO COc1ccc(Cl)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000019872320 182159279 /nfs/dbraw/zinc/15/92/79/182159279.db2.gz QCPXFHNTIOCJIX-UHFFFAOYSA-N 1 0 314.816 4.162 50 0 DIAARO c1ccc2c(c1)cccc2CN1CC[NH+](C2CCCCC2)CC1 ZINC000019889545 182161118 /nfs/dbraw/zinc/16/11/18/182161118.db2.gz RQMFLTHTIOXXKA-UHFFFAOYSA-N 1 0 308.469 4.290 50 0 DIAARO O[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000019944857 182168853 /nfs/dbraw/zinc/16/88/53/182168853.db2.gz KKJGAZRIFJEPKA-SFTDATJTSA-N 1 0 303.405 4.251 50 0 DIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccccc1Cl ZINC000020111829 182188171 /nfs/dbraw/zinc/18/81/71/182188171.db2.gz ZMRIRHYLUWAYNE-QGZVFWFLSA-N 1 0 312.800 4.065 50 0 biogenic DIAARO CC(C)CC[C@H](CC[NH2+]CCN(C)C)c1ccc(Cl)cc1 ZINC000020573013 182234000 /nfs/dbraw/zinc/23/40/00/182234000.db2.gz DUVJODRJCXSKDJ-QGZVFWFLSA-N 1 0 310.913 4.401 50 0 DIAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000020543024 182229518 /nfs/dbraw/zinc/22/95/18/182229518.db2.gz RUWCZIKKWPBTIF-OAHLLOKOSA-N 1 0 304.459 4.340 50 0 DIAARO Fc1cc(F)cc(CC[N@@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000020598095 182236539 /nfs/dbraw/zinc/23/65/39/182236539.db2.gz GFGOBANQJINKTG-SFHVURJKSA-N 1 0 302.368 4.130 50 0 DIAARO Cc1ccsc1-c1cccc(-c2ccn(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000020916575 182253747 /nfs/dbraw/zinc/25/37/47/182253747.db2.gz QXHZRKBANDRKMG-OAHLLOKOSA-N 1 0 323.465 4.197 50 0 DIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1c(C)noc1CC ZINC000021720900 182286245 /nfs/dbraw/zinc/28/62/45/182286245.db2.gz MWELTVPWGHPLRR-MRXNPFEDSA-N 1 0 314.429 4.281 50 0 DIAARO CC1CC[NH+](CCOCCOc2ccccc2C(C)(C)C)CC1 ZINC000022171401 182312306 /nfs/dbraw/zinc/31/23/06/182312306.db2.gz BHEVQLYKMAUJEE-UHFFFAOYSA-N 1 0 319.489 4.111 50 0 DIAARO c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000024081590 182374849 /nfs/dbraw/zinc/37/48/49/182374849.db2.gz NZVUDFDNJSEDBR-NRFANRHFSA-N 1 0 317.436 4.099 50 0 DIAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000024984022 182397111 /nfs/dbraw/zinc/39/71/11/182397111.db2.gz LZVNZNXDCLTJED-HNNXBMFYSA-N 1 0 321.424 4.245 50 0 DIAARO Cc1c2ccc3ccccc3c2oc1C(=O)OC1CC[NH+](C)CC1 ZINC000033005399 182688269 /nfs/dbraw/zinc/68/82/69/182688269.db2.gz MCTVSBINLVEQNJ-UHFFFAOYSA-N 1 0 323.392 4.145 50 0 DIAARO c1ccc2c(c1)nc(Nc1cc[nH+]cc1)nc2NC1CCCC1 ZINC000041152207 183178311 /nfs/dbraw/zinc/17/83/11/183178311.db2.gz OSPJPUOPPMACFZ-UHFFFAOYSA-N 1 0 305.385 4.123 50 0 DIAARO CC(C)(c1ccccc1)c1ccc(O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775474 183307576 /nfs/dbraw/zinc/30/75/76/183307576.db2.gz IYKINRYPTWJTQZ-MRXNPFEDSA-N 1 0 315.844 4.407 50 0 DIAARO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042775493 183307859 /nfs/dbraw/zinc/30/78/59/183307859.db2.gz SKCVFTFHYPSOGS-CQSZACIVSA-N 1 0 301.817 4.385 50 0 DIAARO c1ccc([C@@H]2C[N@@H+](CCc3ccccn3)Cc3ccccc32)cc1 ZINC000043661354 183377549 /nfs/dbraw/zinc/37/75/49/183377549.db2.gz MMDZMZHNXDFCIH-QFIPXVFZSA-N 1 0 314.432 4.272 50 0 DIAARO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000057676254 184046044 /nfs/dbraw/zinc/04/60/44/184046044.db2.gz LFAPEZVNSKLWRI-INIZCTEOSA-N 1 0 320.436 4.488 50 0 DIAARO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1 ZINC000058131406 184078828 /nfs/dbraw/zinc/07/88/28/184078828.db2.gz FHIHRBGMROQCIZ-HOTGVXAUSA-N 1 0 310.441 4.317 50 0 DIAARO FC(F)(F)c1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000059542706 184139601 /nfs/dbraw/zinc/13/96/01/184139601.db2.gz ODHZGSJONPTACX-QGZVFWFLSA-N 1 0 321.342 4.359 50 0 DIAARO Cc1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)s1 ZINC000064007210 184291409 /nfs/dbraw/zinc/29/14/09/184291409.db2.gz NPERFXIWQQZBNW-QGZVFWFLSA-N 1 0 315.486 4.145 50 0 DIAARO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065394944 184334931 /nfs/dbraw/zinc/33/49/31/184334931.db2.gz IVZZYSVXVCHVEZ-MRXNPFEDSA-N 1 0 303.409 4.337 50 0 DIAARO Cc1c(-c2ccccc2)ncn1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000065431011 184344346 /nfs/dbraw/zinc/34/43/46/184344346.db2.gz PKDJDDPHQVJOAA-SFHVURJKSA-N 1 0 321.424 4.289 50 0 DIAARO CCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000065529670 184361001 /nfs/dbraw/zinc/36/10/01/184361001.db2.gz FGBPRLHXMJCDSN-AWEZNQCLSA-N 1 0 322.880 4.029 50 0 DIAARO CC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ncccc1C ZINC000065497321 184354745 /nfs/dbraw/zinc/35/47/45/184354745.db2.gz IUGVTXHBMKEBOY-HXUWFJFHSA-N 1 0 323.484 4.095 50 0 DIAARO C[C@H](c1cccc(-c2nccc(C(F)(F)F)n2)c1)[NH+]1CCCC1 ZINC000065500173 184355696 /nfs/dbraw/zinc/35/56/96/184355696.db2.gz NDMMOHBDSZSHLR-GFCCVEGCSA-N 1 0 321.346 4.319 50 0 DIAARO C[C@H](c1cccc(-c2cccc(-n3cnnc3)c2)c1)[NH+]1CCCC1 ZINC000065498047 184355750 /nfs/dbraw/zinc/35/57/50/184355750.db2.gz XZBKQMXAKZRDEM-MRXNPFEDSA-N 1 0 318.424 4.091 50 0 DIAARO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CCO[C@H](C3CC3)C1)CCCO2 ZINC000157670177 197207127 /nfs/dbraw/zinc/20/71/27/197207127.db2.gz HUKQFANVYFWGDT-UHOSZYNNSA-N 1 0 315.457 4.064 50 0 DIAARO Brc1ccc(CC2([NH2+]Cc3ccccc3)CC2)cc1 ZINC000408525890 257254790 /nfs/dbraw/zinc/25/47/90/257254790.db2.gz GFENSLJXDWXVJE-UHFFFAOYSA-N 1 0 316.242 4.314 50 0 DIAARO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccn2)c2ccccc2)CCO1 ZINC000408514146 257256416 /nfs/dbraw/zinc/25/64/16/257256416.db2.gz HAWSCTVRCKYSRB-HKBOAZHASA-N 1 0 324.468 4.159 50 0 DIAARO O=[N+]1C(c2ccc(-c3ccccc3)cc2)=CN(O)[C@H]2CCCC[C@@H]21 ZINC000334157318 257261940 /nfs/dbraw/zinc/26/19/40/257261940.db2.gz WCTJKYVODWDZRK-OALUTQOASA-N 1 0 321.400 4.447 50 0 DIAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH3+] ZINC000122079020 195398075 /nfs/dbraw/zinc/39/80/75/195398075.db2.gz SNWGRADGFKNELG-LFGUEBOJSA-N 1 0 305.506 4.109 50 0 DIAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000004980307 533411148 /nfs/dbraw/zinc/41/11/48/533411148.db2.gz XPTLXBZBDIBYNP-KNTRCKAVSA-N 1 0 306.453 4.221 50 0 DIAARO COc1ccc([C@@H](C)[NH2+]Cc2cccc3[nH]ccc32)c(C)c1OC ZINC000288371648 131322109 /nfs/dbraw/zinc/32/21/09/131322109.db2.gz FEFGOKMYSVXPKJ-CQSZACIVSA-N 1 0 324.424 4.344 50 0 DIAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc(F)c1 ZINC000013325236 331541275 /nfs/dbraw/zinc/54/12/75/331541275.db2.gz LPJRNFWXRKYYIS-UHFFFAOYSA-N 1 0 313.376 4.066 50 0 DIAARO CCOC1=C(C[NH+](C)C)[C@@H](c2ccc(C)cc2)Oc2ccccc21 ZINC000071405271 334876116 /nfs/dbraw/zinc/87/61/16/334876116.db2.gz QAQPYIKTJWDZCV-HXUWFJFHSA-N 1 0 323.436 4.438 50 0 DIAARO c1ccc(CCN2CCC([NH2+]C3CCCCCC3)CC2)cc1 ZINC000001229312 340398461 /nfs/dbraw/zinc/39/84/61/340398461.db2.gz ZQQKCHFZBMCRRP-UHFFFAOYSA-N 1 0 300.490 4.006 50 0 DIAARO COc1ccc(C[NH2+][C@H](c2cccs2)C(C)C)c(OC)c1 ZINC000035016957 563795601 /nfs/dbraw/zinc/79/56/01/563795601.db2.gz AHFIUEXVCGUSMJ-KRWDZBQOSA-N 1 0 305.443 4.252 50 0 DIAARO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000090966307 563876973 /nfs/dbraw/zinc/87/69/73/563876973.db2.gz KDEZORRRYXAKHW-UTUOFQBUSA-N 1 0 317.351 4.192 50 0 DIAARO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(OC2CCOCC2)cc1 ZINC000154324214 563926429 /nfs/dbraw/zinc/92/64/29/563926429.db2.gz YJPWITNVEKFTKK-AWEZNQCLSA-N 1 0 323.502 4.037 50 0 DIAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCCCC1 ZINC000000134450 563222349 /nfs/dbraw/zinc/22/23/49/563222349.db2.gz XZMXXDXFHOVSEF-QGZVFWFLSA-N 1 0 322.452 4.031 50 0 DIAARO Clc1ccc(CSC2=[NH+]CCN2Cc2ccccc2)cc1 ZINC000000144317 563224088 /nfs/dbraw/zinc/22/40/88/563224088.db2.gz AHGFVHMLFPXBDQ-UHFFFAOYSA-N 1 0 316.857 4.445 50 0 DIAARO CCC1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000000183027 563228446 /nfs/dbraw/zinc/22/84/46/563228446.db2.gz CRYYZDDTNXNDBH-UHFFFAOYSA-N 1 0 306.881 4.431 50 0 DIAARO C[C@@H](CC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000000183284 563228444 /nfs/dbraw/zinc/22/84/44/563228444.db2.gz GPNQMDLKARMLTR-KRWDZBQOSA-N 1 0 312.432 4.142 50 0 DIAARO CCOc1ccccc1N1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000000238810 563232216 /nfs/dbraw/zinc/23/22/16/563232216.db2.gz XDYFHUPVRGUSOX-UHFFFAOYSA-N 1 0 324.468 4.024 50 0 DIAARO c1ccc(Oc2ccc3c(c2)c2c4n3CC[NH2+][C@@H]4CCC2)cc1 ZINC000000282320 563236107 /nfs/dbraw/zinc/23/61/07/563236107.db2.gz ISANZSNJQZJFID-GOSISDBHSA-N 1 0 304.393 4.414 50 0 DIAARO COc1cc(C[NH2+]Cc2ccc3ccccc3c2)cc(OC)c1 ZINC000000293158 563236659 /nfs/dbraw/zinc/23/66/59/563236659.db2.gz XOICFBQAGDWYDL-UHFFFAOYSA-N 1 0 307.393 4.147 50 0 DIAARO Fc1ccccc1COc1ccccc1C[NH2+]Cc1ccncc1 ZINC000000360381 563244337 /nfs/dbraw/zinc/24/43/37/563244337.db2.gz YBVSECASAQHRMH-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO Cn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 ZINC000000386987 563249181 /nfs/dbraw/zinc/24/91/81/563249181.db2.gz TZVOHUOWCRKMGJ-UHFFFAOYSA-N 1 0 308.364 4.113 50 0 DIAARO C[N@@H+]1CCC[C@H]1CCOC1c2ccccc2CCc2ccccc21 ZINC000000971555 563273241 /nfs/dbraw/zinc/27/32/41/563273241.db2.gz WDWDXUWXPSODKZ-IBGZPJMESA-N 1 0 321.464 4.376 50 0 DIAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001152545 563278711 /nfs/dbraw/zinc/27/87/11/563278711.db2.gz VCCXURGIJROYHV-OAHLLOKOSA-N 1 0 303.446 4.015 50 0 DIAARO CCc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000001227524 563279986 /nfs/dbraw/zinc/27/99/86/563279986.db2.gz NOMWNDREPWZDTC-UHFFFAOYSA-N 1 0 308.469 4.188 50 0 DIAARO CC[NH+](CC)[C@H]1C(=O)Nc2ccc(C)cc2[C@@H]1c1ccccc1 ZINC000001294315 563281193 /nfs/dbraw/zinc/28/11/93/563281193.db2.gz OEGOERCGICFUBB-RBUKOAKNSA-N 1 0 308.425 4.439 50 0 DIAARO Brc1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002494126 563304447 /nfs/dbraw/zinc/30/44/47/563304447.db2.gz VKQPDDYIAYQLKV-UHFFFAOYSA-N 1 0 312.251 4.094 50 0 DIAARO O=C(c1ccc(Cl)c(F)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515569 563305793 /nfs/dbraw/zinc/30/57/93/563305793.db2.gz UQTVSKMPGZXHKZ-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO Cc1ccc(C(C)C)cc1OCCOCC[NH+]1CCC(C)CC1 ZINC000002954994 563317918 /nfs/dbraw/zinc/31/79/18/563317918.db2.gz YGEMUYHMWQTURI-UHFFFAOYSA-N 1 0 319.489 4.246 50 0 DIAARO Cc1cc(Cl)c(OCCC[NH2+]C(C)C)c(Br)c1 ZINC000003000498 563320369 /nfs/dbraw/zinc/32/03/69/563320369.db2.gz UGKBGGYFTMCOCN-UHFFFAOYSA-N 1 0 320.658 4.178 50 0 DIAARO COCCC[NH2+]CCCCOc1ccc(C(C)(C)C)cc1C ZINC000003000755 563320553 /nfs/dbraw/zinc/32/05/53/563320553.db2.gz QRTSKUYNILRXQF-UHFFFAOYSA-N 1 0 307.478 4.078 50 0 DIAARO COCC[NH2+]CCCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003000752 563320677 /nfs/dbraw/zinc/32/06/77/563320677.db2.gz ZAJPWDKURYJULT-UHFFFAOYSA-N 1 0 313.869 4.033 50 0 DIAARO CC1(C)[C@H]2CC[C@]1(C)c1[nH+]c3ccccc3c(N3CCOCC3)c12 ZINC000005305047 563329476 /nfs/dbraw/zinc/32/94/76/563329476.db2.gz RRCATOLXLWQNMY-YCRPNKLZSA-N 1 0 322.452 4.246 50 0 DIAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1 ZINC000007540920 563339510 /nfs/dbraw/zinc/33/95/10/563339510.db2.gz AYROCJHUXYFBCN-CYBMUJFWSA-N 1 0 313.422 4.351 50 0 DIAARO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1cccs1 ZINC000007539987 563339695 /nfs/dbraw/zinc/33/96/95/563339695.db2.gz VGDUMCKJHHLVGF-UHFFFAOYSA-N 1 0 323.845 4.241 50 0 DIAARO CCc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010327144 563355930 /nfs/dbraw/zinc/35/59/30/563355930.db2.gz IGDYXHFKHDPDQO-UHFFFAOYSA-N 1 0 322.452 4.406 50 0 DIAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000010334658 563356338 /nfs/dbraw/zinc/35/63/38/563356338.db2.gz SEKABFTVKLWQJL-KRWDZBQOSA-N 1 0 322.452 4.164 50 0 DIAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3C)c(C)o2)cc1C ZINC000011818425 563359640 /nfs/dbraw/zinc/35/96/40/563359640.db2.gz IEAOBUSWRBIVMW-CQSZACIVSA-N 1 0 314.429 4.341 50 0 DIAARO CC(C)=CC[NH+]1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000011998638 563360792 /nfs/dbraw/zinc/36/07/92/563360792.db2.gz BXWZJPSBERVVAI-UHFFFAOYSA-N 1 0 300.446 4.084 50 0 DIAARO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012201760 563364576 /nfs/dbraw/zinc/36/45/76/563364576.db2.gz XOEIVUUUKKSYEN-AWEZNQCLSA-N 1 0 303.471 4.246 50 0 DIAARO CC(C)=CC[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012242616 563365499 /nfs/dbraw/zinc/36/54/99/563365499.db2.gz PGKYSGBVTAFTMM-MRXNPFEDSA-N 1 0 313.420 4.361 50 0 DIAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012303363 563366224 /nfs/dbraw/zinc/36/62/24/563366224.db2.gz RQSQPNCXGWETIO-FQEVSTJZSA-N 1 0 309.457 4.282 50 0 DIAARO Brc1cccc(C2([NH2+]Cc3ccccn3)CCC2)c1 ZINC000071924565 563372606 /nfs/dbraw/zinc/37/26/06/563372606.db2.gz BZDVTJVVANZABC-UHFFFAOYSA-N 1 0 317.230 4.013 50 0 DIAARO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013545798 563383467 /nfs/dbraw/zinc/38/34/67/563383467.db2.gz RYAUSSKQMZRMAI-ZACQAIPSSA-N 1 0 303.490 4.272 50 0 endogenous,in-man DIAARO COCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013722201 563387567 /nfs/dbraw/zinc/38/75/67/563387567.db2.gz MRBBWRLRURNYBP-UHFFFAOYSA-N 1 0 319.832 4.045 50 0 DIAARO CC(C)(c1ccccc1)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000014631470 563402258 /nfs/dbraw/zinc/40/22/58/563402258.db2.gz XFJQOBJBVLEXDY-UHFFFAOYSA-N 1 0 309.453 4.391 50 0 DIAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](C4CCC4)C3)ccc2c1 ZINC000014951417 563404613 /nfs/dbraw/zinc/40/46/13/563404613.db2.gz UFYOJSIAULQKBF-SFHVURJKSA-N 1 0 323.436 4.296 50 0 DIAARO Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000015064601 563406167 /nfs/dbraw/zinc/40/61/67/563406167.db2.gz WDVVUEPEEYCOAM-PEAOBZDDSA-N 1 0 310.416 4.415 50 0 DIAARO Cc1cc(NCc2ccnc(N3CCCC3)c2)c2ccccc2[nH+]1 ZINC000032905160 563410972 /nfs/dbraw/zinc/41/09/72/563410972.db2.gz OULROMHPHBXQAN-UHFFFAOYSA-N 1 0 318.424 4.151 50 0 DIAARO c1ccc(CC[N@H+](Cc2ccccc2)Cc2cccnc2)cc1 ZINC000006257881 563420478 /nfs/dbraw/zinc/42/04/78/563420478.db2.gz RIXJPVSKTOTKAR-UHFFFAOYSA-N 1 0 302.421 4.327 50 0 DIAARO CCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027584001 563428870 /nfs/dbraw/zinc/42/88/70/563428870.db2.gz MWGAYMDASWGHAG-QGZVFWFLSA-N 1 0 322.880 4.173 50 0 DIAARO CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027662136 563429470 /nfs/dbraw/zinc/42/94/70/563429470.db2.gz JXPBKNOQGIPTJI-LJQANCHMSA-N 1 0 316.489 4.074 50 0 DIAARO Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2cn(C)nc2C)s1 ZINC000033087106 563444032 /nfs/dbraw/zinc/44/40/32/563444032.db2.gz JNIIEZDQAFYMEV-INIZCTEOSA-N 1 0 303.475 4.216 50 0 DIAARO C/C=C/c1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC000004885440 563449579 /nfs/dbraw/zinc/44/95/79/563449579.db2.gz NKDRALPQPHEJJV-DOOVEFGSSA-N 1 0 303.446 4.085 50 0 DIAARO CCC1=C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(C)cc2)N1O ZINC000033387171 563450419 /nfs/dbraw/zinc/45/04/19/563450419.db2.gz AKSRHZDXCCVJQK-LJQANCHMSA-N 1 0 309.389 4.430 50 0 DIAARO Cc1cc([C@@H]2CCCN2Cc2cccc(Br)c2)on1 ZINC000052008227 563468943 /nfs/dbraw/zinc/46/89/43/563468943.db2.gz ZPOWSDRHUAJGHM-AWEZNQCLSA-N 1 0 321.218 4.083 50 0 DIAARO CC(C)CC[C@H](C)[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055061006 563470477 /nfs/dbraw/zinc/47/04/77/563470477.db2.gz ADJPWUSZKISVHJ-INIZCTEOSA-N 1 0 318.509 4.397 50 0 DIAARO CC[C@H](C)N(Cc1cccnc1)Cc1ccc(F)c(OC)c1F ZINC000055244948 563472716 /nfs/dbraw/zinc/47/27/16/563472716.db2.gz HDXOOIOCIOFUKI-ZDUSSCGKSA-N 1 0 320.383 4.169 50 0 DIAARO Cc1cccc(-c2ncc(C[NH2+]CCSC(C)(C)C)cn2)c1 ZINC000055271540 563473780 /nfs/dbraw/zinc/47/37/80/563473780.db2.gz FDSLAHVMWSFTJA-UHFFFAOYSA-N 1 0 315.486 4.073 50 0 DIAARO Cc1ccsc1CN(Cc1cccc(O)c1)Cc1ccccn1 ZINC000055369256 563474276 /nfs/dbraw/zinc/47/42/76/563474276.db2.gz PHFHPBAWVQLUJL-UHFFFAOYSA-N 1 0 324.449 4.360 50 0 DIAARO Cc1ccsc1C[N@H+](Cc1ccc(CO)o1)C1CCCC1 ZINC000055393537 563475500 /nfs/dbraw/zinc/47/55/00/563475500.db2.gz VKAXOXOGDDHZBE-UHFFFAOYSA-N 1 0 305.443 4.087 50 0 DIAARO Cc1ccccc1N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000055543108 563476304 /nfs/dbraw/zinc/47/63/04/563476304.db2.gz FQRVEOIOIKNUHF-UHFFFAOYSA-N 1 0 316.448 4.470 50 0 DIAARO CCCC[N@@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067883523 563493051 /nfs/dbraw/zinc/49/30/51/563493051.db2.gz KQJAIXFRXOURBV-UHFFFAOYSA-N 1 0 317.454 4.424 50 0 DIAARO C[NH+]1CCC(n2ccnc2-c2ccccc2-c2ccccc2)CC1 ZINC000071761408 563500763 /nfs/dbraw/zinc/50/07/63/563500763.db2.gz JNUMWBLUDDSHMZ-UHFFFAOYSA-N 1 0 317.436 4.484 50 0 DIAARO Cc1ccc(-c2nccn2C[C@H](c2sccc2C)[NH+](C)C)o1 ZINC000077286788 563508345 /nfs/dbraw/zinc/50/83/45/563508345.db2.gz RIHOEZUHPXSLMH-CQSZACIVSA-N 1 0 315.442 4.124 50 0 DIAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000077377584 563509068 /nfs/dbraw/zinc/50/90/68/563509068.db2.gz QFLWSCNSHWETHD-SFHVURJKSA-N 1 0 323.440 4.383 50 0 DIAARO CSc1ccc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2)cc1 ZINC000077519260 563511700 /nfs/dbraw/zinc/51/17/00/563511700.db2.gz NTIMWRHCJVNKBJ-QGZVFWFLSA-N 1 0 315.486 4.050 50 0 DIAARO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c(C)c1 ZINC000097227511 563513845 /nfs/dbraw/zinc/51/38/45/563513845.db2.gz XAVYDQIZCBQCFK-ZHRRBRCNSA-N 1 0 315.482 4.200 50 0 DIAARO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000011287758 563518660 /nfs/dbraw/zinc/51/86/60/563518660.db2.gz OZUFEPICEVXWQB-IBGZPJMESA-N 1 0 323.436 4.493 50 0 DIAARO CC[C@H]1C[N@H+](C)CC[C@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000000080845 563524870 /nfs/dbraw/zinc/52/48/70/563524870.db2.gz OJLWUEFIEDXWFB-GHTZIAJQSA-N 1 0 323.436 4.101 50 0 DIAARO Cc1cnc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nc1N(C)C ZINC000097272475 563538330 /nfs/dbraw/zinc/53/83/30/563538330.db2.gz RNSXERSKQJHDGR-INIZCTEOSA-N 1 0 324.472 4.065 50 0 DIAARO FC(F)(F)c1ccccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000097370529 563538664 /nfs/dbraw/zinc/53/86/64/563538664.db2.gz UHWJBTCGLLPWOO-UHFFFAOYSA-N 1 0 313.363 4.098 50 0 DIAARO CC(C)Oc1ccc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)nn1 ZINC000097295094 563538717 /nfs/dbraw/zinc/53/87/17/563538717.db2.gz UNNWBAVBXVNZGZ-OAHLLOKOSA-N 1 0 311.429 4.088 50 0 DIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000097522151 563540473 /nfs/dbraw/zinc/54/04/73/563540473.db2.gz JTDNEMNMOIDGFP-JXTAAOLFSA-N 1 0 312.413 4.150 50 0 DIAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)on1 ZINC000097631909 563541027 /nfs/dbraw/zinc/54/10/27/563541027.db2.gz FINGYHBEKCRCFT-INIZCTEOSA-N 1 0 312.413 4.034 50 0 DIAARO Clc1ccc(CN2c3ccccc3N3CC[NH+]=C23)c(Cl)c1 ZINC000101277571 563557097 /nfs/dbraw/zinc/55/70/97/563557097.db2.gz VEWLBRSZPOCEPK-UHFFFAOYSA-N 1 0 318.207 4.190 50 0 DIAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c(C)c1C ZINC000011667864 563563660 /nfs/dbraw/zinc/56/36/60/563563660.db2.gz ULNCUAYJQDGESQ-FQEVSTJZSA-N 1 0 324.468 4.389 50 0 DIAARO CC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(Cl)cc2)N1O ZINC000033669299 563595456 /nfs/dbraw/zinc/59/54/56/563595456.db2.gz SNCPWGACBWQWEA-KRWDZBQOSA-N 1 0 315.780 4.385 50 0 DIAARO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+]1CCC(C)CC1 ZINC000011990266 563603751 /nfs/dbraw/zinc/60/37/51/563603751.db2.gz LFBSPVOTTCMKMA-UHFFFAOYSA-N 1 0 318.848 4.443 50 0 DIAARO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1OC ZINC000004685493 563636976 /nfs/dbraw/zinc/63/69/76/563636976.db2.gz IZQVUKUFHZDBGD-UHFFFAOYSA-N 1 0 307.393 4.147 50 0 DIAARO CCc1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010330345 563648554 /nfs/dbraw/zinc/64/85/54/563648554.db2.gz TXDOQHYAOJJBJY-UHFFFAOYSA-N 1 0 308.425 4.097 50 0 DIAARO COc1ccc2cc(C[N@H+]3C[C@H](C)C[C@H](C)C3)c(Cl)nc2c1 ZINC000013018514 563654839 /nfs/dbraw/zinc/65/48/39/563654839.db2.gz VYRKDMBDQWARKI-BETUJISGSA-N 1 0 318.848 4.375 50 0 DIAARO C/C1=C\CC[C@@H]2[C@H](/C=C(\C)CC1)OC(=O)[C@H]2C[NH+]1CCCCC1 ZINC000102807414 563662366 /nfs/dbraw/zinc/66/23/66/563662366.db2.gz BYFVAWVWHDPHGP-YURVAFSFSA-N 1 0 317.473 4.097 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000014138745 563665276 /nfs/dbraw/zinc/66/52/76/563665276.db2.gz HIQSLPACDZSJBO-OAHLLOKOSA-N 1 0 322.452 4.375 50 0 DIAARO c1ccc([C@@H]2C[N@@H+](C[C@H]3CCCCO3)Cc3ccccc32)cc1 ZINC000108059202 563686782 /nfs/dbraw/zinc/68/67/82/563686782.db2.gz BIWSCYRZAJFDGR-CTNGQTDRSA-N 1 0 307.437 4.203 50 0 DIAARO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000109044290 563690148 /nfs/dbraw/zinc/69/01/48/563690148.db2.gz CDWKJPACYVRXMX-SZVBFZGTSA-N 1 0 316.489 4.058 50 0 DIAARO CCn1c2ccccc2c2cc(C[NH2+]C3CCC(O)CC3)ccc21 ZINC000048326069 563696459 /nfs/dbraw/zinc/69/64/59/563696459.db2.gz BOPKDTNUMUZEHA-UHFFFAOYSA-N 1 0 322.452 4.208 50 0 DIAARO COc1cccc([C@H]2CCCN2Cc2csc(C(C)=O)c2)c1 ZINC000215424628 563705281 /nfs/dbraw/zinc/70/52/81/563705281.db2.gz XMNHSHDHAYZHJK-QGZVFWFLSA-N 1 0 315.438 4.296 50 0 DIAARO CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000051540208 563705554 /nfs/dbraw/zinc/70/55/54/563705554.db2.gz FIVNQEMFSFYVEZ-GOSISDBHSA-N 1 0 317.454 4.123 50 0 DIAARO COc1ccc(C[NH2+]CCc2cccc(F)c2)c2ccccc12 ZINC000002734167 563705748 /nfs/dbraw/zinc/70/57/48/563705748.db2.gz ZHQTZJLQOYMIPH-UHFFFAOYSA-N 1 0 309.384 4.320 50 0 DIAARO CC[C@@H]([NH2+]C1CCSCC1)c1nc(C(F)(F)F)cs1 ZINC000095968792 563713861 /nfs/dbraw/zinc/71/38/61/563713861.db2.gz MKMXTQMSMBXLFV-SECBINFHSA-N 1 0 310.410 4.098 50 0 DIAARO COc1cc2c(cc1C[NH2+][C@H]1CCCc3ccccc31)O[C@H](C)C2 ZINC000025259860 563725912 /nfs/dbraw/zinc/72/59/12/563725912.db2.gz KOQNBDLESMLTMX-KUHUBIRLSA-N 1 0 323.436 4.186 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(C)sc2C)cc1 ZINC000027218362 563738688 /nfs/dbraw/zinc/73/86/88/563738688.db2.gz YLLWRYLELGELQY-LBPRGKRZSA-N 1 0 302.443 4.174 50 0 DIAARO CO[C@H](C)c1noc(C[N@@H+]2CCCCC[C@@H]2C2CCCCC2)n1 ZINC000225441857 563755318 /nfs/dbraw/zinc/75/53/18/563755318.db2.gz MTLLZKJLYUGEKB-GDBMZVCRSA-N 1 0 321.465 4.102 50 0 DIAARO CC(C)COC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000225534548 563757986 /nfs/dbraw/zinc/75/79/86/563757986.db2.gz AJQVYPVPUBURKL-UHFFFAOYSA-N 1 0 317.473 4.037 50 0 DIAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000241946720 563778112 /nfs/dbraw/zinc/77/81/12/563778112.db2.gz UNKNHESEVWMSHB-CQSZACIVSA-N 1 0 304.796 4.254 50 0 DIAARO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000241965726 563778169 /nfs/dbraw/zinc/77/81/69/563778169.db2.gz UVCWCXHGFKCDJW-KYHPRHEASA-N 1 0 302.462 4.126 50 0 DIAARO FC(F)(F)c1cccc([C@H]([NH2+]Cc2cc[nH]n2)C2CCC2)c1 ZINC000242292530 563778442 /nfs/dbraw/zinc/77/84/42/563778442.db2.gz YMYBQEYCAKQGGA-OAHLLOKOSA-N 1 0 309.335 4.060 50 0 DIAARO C[NH+](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253596267 563784311 /nfs/dbraw/zinc/78/43/11/563784311.db2.gz PGNZHBZWAAFCJR-OHFNBNKZSA-N 1 0 317.517 4.240 50 0 DIAARO c1ccc([C@@H]2C[C@H](c3noc(C4CCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299786006 563806244 /nfs/dbraw/zinc/80/62/44/563806244.db2.gz LNOCEDLYHRIYCE-BBWFWOEESA-N 1 0 309.413 4.030 50 0 DIAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)c(C)c1 ZINC000012676519 563809037 /nfs/dbraw/zinc/80/90/37/563809037.db2.gz OVPQPXDZFXRQED-JXFKEZNVSA-N 1 0 322.452 4.371 50 0 DIAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000012672994 563809106 /nfs/dbraw/zinc/80/91/06/563809106.db2.gz KYHBUFSRGTXJQT-HNAYVOBHSA-N 1 0 308.425 4.063 50 0 DIAARO Cc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C)c2)C2CC2)cc1 ZINC000012679245 563809425 /nfs/dbraw/zinc/80/94/25/563809425.db2.gz WEOWKQPBMZJRIW-UZLBHIALSA-N 1 0 322.452 4.371 50 0 DIAARO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000012674835 563809443 /nfs/dbraw/zinc/80/94/43/563809443.db2.gz YPENNPBZNWFSLJ-KXBFYZLASA-N 1 0 308.425 4.063 50 0 DIAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)c(C)c1 ZINC000012676541 563809463 /nfs/dbraw/zinc/80/94/63/563809463.db2.gz OVPQPXDZFXRQED-OXJNMPFZSA-N 1 0 322.452 4.371 50 0 DIAARO C[C@@H](c1cnccn1)[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000184545355 563813810 /nfs/dbraw/zinc/81/38/10/563813810.db2.gz QIUCQUHFQNWFIC-ZDUSSCGKSA-N 1 0 324.403 4.038 50 0 DIAARO c1ccc2c(c1)ccc1c2OCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000084055896 563821385 /nfs/dbraw/zinc/82/13/85/563821385.db2.gz YLOXFCYXNLHWGI-IBGZPJMESA-N 1 0 304.393 4.238 50 0 DIAARO Cc1cc(C[N@@H+]2CCC[C@@H]2Cc2cccc3ccccc32)on1 ZINC000084124234 563823957 /nfs/dbraw/zinc/82/39/57/563823957.db2.gz ZUOBLDPPXPELLS-GOSISDBHSA-N 1 0 306.409 4.343 50 0 DIAARO CC(C)(C)c1ccc(NC(=O)C2CC[NH+](CC3CC3)CC2)cc1 ZINC000084284460 563825760 /nfs/dbraw/zinc/82/57/60/563825760.db2.gz VWMYDHUXOHPTBQ-UHFFFAOYSA-N 1 0 314.473 4.045 50 0 DIAARO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000121457251 563864873 /nfs/dbraw/zinc/86/48/73/563864873.db2.gz JTOBCHARHVLGHP-HFAKWTLXSA-N 1 0 302.245 4.195 50 0 DIAARO CCCC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245253794 563881512 /nfs/dbraw/zinc/88/15/12/563881512.db2.gz QTHAUWJPWFOHHC-RGCFKVTRSA-N 1 0 314.473 4.355 50 0 DIAARO COC1CC[NH+]([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089409606 563885786 /nfs/dbraw/zinc/88/57/86/563885786.db2.gz HWAHEDPDXKSVQA-OAHLLOKOSA-N 1 0 300.229 4.092 50 0 DIAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2 ZINC000100068353 563889522 /nfs/dbraw/zinc/88/95/22/563889522.db2.gz GIJXKZJWITVLHI-ACDBMABISA-N 1 0 307.437 4.418 50 0 in-vitro DIAARO Cc1ccccc1C[N@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036099824 563893777 /nfs/dbraw/zinc/89/37/77/563893777.db2.gz ONXAVRXIXIQVSP-OAQYLSRUSA-N 1 0 311.469 4.057 50 0 DIAARO CCC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104090 563894308 /nfs/dbraw/zinc/89/43/08/563894308.db2.gz CXUQRLXPMYEDDJ-SFHVURJKSA-N 1 0 319.395 4.128 50 0 DIAARO Cc1ccc(C)c(C[N@@H+](C[C@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036103858 563894369 /nfs/dbraw/zinc/89/43/69/563894369.db2.gz WGJCMTKGQCDZDH-OAQYLSRUSA-N 1 0 311.469 4.117 50 0 DIAARO CCC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104092 563894437 /nfs/dbraw/zinc/89/44/37/563894437.db2.gz CXUQRLXPMYEDDJ-GOSISDBHSA-N 1 0 319.395 4.128 50 0 DIAARO C[C@H](O)C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000249060294 563894478 /nfs/dbraw/zinc/89/44/78/563894478.db2.gz ZUHBDXZYTDQOMA-MDKPJZGXSA-N 1 0 324.468 4.078 50 0 DIAARO C[NH+](C)Cc1ccc(CNC(=O)CCCC2CCCCC2)cc1 ZINC000006847227 563896967 /nfs/dbraw/zinc/89/69/67/563896967.db2.gz ANOFNYBQULIXJV-UHFFFAOYSA-N 1 0 316.489 4.115 50 0 DIAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ccccc1F ZINC000036657764 563902285 /nfs/dbraw/zinc/90/22/85/563902285.db2.gz YOLGYCFRJAISRM-UHFFFAOYSA-N 1 0 300.352 4.087 50 0 DIAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000170126275 563903929 /nfs/dbraw/zinc/90/39/29/563903929.db2.gz RSNXFQRUPPEWDO-KRWDZBQOSA-N 1 0 309.438 4.337 50 0 DIAARO CCn1cc(CC[NH+]2Cc3ccccc3-c3ccccc3C2)cn1 ZINC000170607407 563907817 /nfs/dbraw/zinc/90/78/17/563907817.db2.gz ZUFDQYMIAONWEZ-UHFFFAOYSA-N 1 0 317.436 4.128 50 0 DIAARO C[C@H](O)C[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)c1ccccc1 ZINC000192956773 563908548 /nfs/dbraw/zinc/90/85/48/563908548.db2.gz ZUHBDXZYTDQOMA-YRISNDGFSA-N 1 0 324.468 4.078 50 0 DIAARO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cccs1 ZINC000037301091 563908554 /nfs/dbraw/zinc/90/85/54/563908554.db2.gz AYJXZLAVQFPRFT-SNVBAGLBSA-N 1 0 309.818 4.024 50 0 DIAARO CSc1ccccc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000170621803 563908564 /nfs/dbraw/zinc/90/85/64/563908564.db2.gz SFQBZHOGQOIZHH-UHFFFAOYSA-N 1 0 306.475 4.002 50 0 DIAARO FC(F)(F)c1cccc(N2CC[NH+](CC3CCCC3)CC2)c1 ZINC000089779511 563911285 /nfs/dbraw/zinc/91/12/85/563911285.db2.gz NYJLNQXNJQLKBU-UHFFFAOYSA-N 1 0 312.379 4.018 50 0 DIAARO COc1cc(C)c(C[NH2+]CCc2c[nH]c3ccccc23)cc1C ZINC000002071161 563912963 /nfs/dbraw/zinc/91/29/63/563912963.db2.gz STPAZIRTAUZVCR-UHFFFAOYSA-N 1 0 308.425 4.126 50 0 DIAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(Cl)c2ccccc12 ZINC000002825195 563913096 /nfs/dbraw/zinc/91/30/96/563913096.db2.gz DCMLHASVCBLPNN-AWEZNQCLSA-N 1 0 321.848 4.277 50 0 DIAARO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000170687337 563917655 /nfs/dbraw/zinc/91/76/55/563917655.db2.gz IAPFUAGYYDXUDF-QWHCGFSZSA-N 1 0 317.820 4.397 50 0 DIAARO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)c1ccccc1 ZINC000007783026 563919245 /nfs/dbraw/zinc/91/92/45/563919245.db2.gz ZISBLMJMLPJWDH-CQSZACIVSA-N 1 0 323.392 4.460 50 0 DIAARO C[C@@H]([NH3+])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253498071 563926473 /nfs/dbraw/zinc/92/64/73/563926473.db2.gz FLEBIYNUTZNISZ-JMQWGRHHSA-N 1 0 317.517 4.274 50 0 DIAARO CC(C)c1nnc(CN(Cc2ccoc2)C2CCCCC2)o1 ZINC000078876531 563930026 /nfs/dbraw/zinc/93/00/26/563930026.db2.gz VNEWZIFLUBIDCP-UHFFFAOYSA-N 1 0 303.406 4.121 50 0 DIAARO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)c1 ZINC000095420169 563931251 /nfs/dbraw/zinc/93/12/51/563931251.db2.gz AUXJVKYNUGPLBY-QGZVFWFLSA-N 1 0 305.425 4.091 50 0 DIAARO COC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1 ZINC000095420438 563931418 /nfs/dbraw/zinc/93/14/18/563931418.db2.gz QKIBAABBDWFCEH-JTQLQIEISA-N 1 0 324.833 4.431 50 0 DIAARO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 ZINC000095968443 563933292 /nfs/dbraw/zinc/93/32/92/563933292.db2.gz CXIGGVZEPOLYLM-KXBFYZLASA-N 1 0 306.413 4.069 50 0 DIAARO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000095969167 563933554 /nfs/dbraw/zinc/93/35/54/563933554.db2.gz ZSPDOSDVQDBVIC-CYBMUJFWSA-N 1 0 321.465 4.317 50 0 DIAARO CCC[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccccn1 ZINC000095980742 563933942 /nfs/dbraw/zinc/93/39/42/563933942.db2.gz KRUHQHKDTUHBQG-PXNSSMCTSA-N 1 0 309.457 4.181 50 0 DIAARO C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000096012918 563934876 /nfs/dbraw/zinc/93/48/76/563934876.db2.gz OXFBZBMDWQSVFE-LLVKDONJSA-N 1 0 308.397 4.463 50 0 DIAARO C[C@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1ccccc1)C1CC1 ZINC000032090153 563945276 /nfs/dbraw/zinc/94/52/76/563945276.db2.gz LWNXYDKNRVFMAG-QUCCMNQESA-N 1 0 301.474 4.292 50 0 DIAARO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c(C)c1 ZINC000008267760 563947439 /nfs/dbraw/zinc/94/74/39/563947439.db2.gz YIAGVNLOFHZFER-ZWKOTPCHSA-N 1 0 314.473 4.062 50 0 DIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(C(C)=O)cc2c1=O ZINC000008717265 563949954 /nfs/dbraw/zinc/94/99/54/563949954.db2.gz KKWKGDNLPMPMAQ-UHFFFAOYSA-N 1 0 314.429 4.073 50 0 DIAARO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+]1CCCCC1 ZINC000008717152 563950038 /nfs/dbraw/zinc/95/00/38/563950038.db2.gz GODKWEALINRRBK-UHFFFAOYSA-N 1 0 304.821 4.197 50 0 DIAARO Cc1ccc(-c2noc([C@@H](C)[N@@H+](C)CCC(C)C)n2)cc1F ZINC000069350374 563952405 /nfs/dbraw/zinc/95/24/05/563952405.db2.gz VNLKIRSVMHHLQJ-CYBMUJFWSA-N 1 0 305.397 4.223 50 0 DIAARO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C)c1ccccc1 ZINC000009217986 563954110 /nfs/dbraw/zinc/95/41/10/563954110.db2.gz NSKDBIAUYCFUDG-APWZRJJASA-N 1 0 310.441 4.453 50 0 DIAARO CCC(C)(C)[NH2+]CC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000009494809 563956352 /nfs/dbraw/zinc/95/63/52/563956352.db2.gz SAZTZGRDUGJSQQ-UHFFFAOYSA-N 1 0 303.233 4.019 50 0 DIAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](C(C)C)CC2 ZINC000009836659 563957722 /nfs/dbraw/zinc/95/77/22/563957722.db2.gz HUHFOHWNMVLOFB-HXUWFJFHSA-N 1 0 311.425 4.060 50 0 DIAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C(C)C)CC2 ZINC000009836658 563957764 /nfs/dbraw/zinc/95/77/64/563957764.db2.gz HUHFOHWNMVLOFB-FQEVSTJZSA-N 1 0 311.425 4.060 50 0 DIAARO CCOCCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007539771 568412382 /nfs/dbraw/zinc/41/23/82/568412382.db2.gz NXKIYPNWVUFSKC-UHFFFAOYSA-N 1 0 311.784 4.255 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2)cc1OC ZINC000002734031 568414167 /nfs/dbraw/zinc/41/41/67/568414167.db2.gz PNAGHPKEQHGNIT-UHFFFAOYSA-N 1 0 321.420 4.189 50 0 DIAARO Cc1ccc(C)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000022032364 1036458506 /nfs/dbraw/zinc/45/85/06/1036458506.db2.gz RXOUZJWFFSTDBT-RMKNXTFCSA-N 1 0 320.480 4.134 50 0 DIAARO CC(C)c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000022146802 1036736530 /nfs/dbraw/zinc/73/65/30/1036736530.db2.gz PYEUFQQEZSBNID-KRWDZBQOSA-N 1 0 321.505 4.354 50 0 DIAARO Brc1ccccc1OCCCCC[NH+]1CCCC1 ZINC000002494281 1037572820 /nfs/dbraw/zinc/57/28/20/1037572820.db2.gz CBPLPQSHWCXAGQ-UHFFFAOYSA-N 1 0 312.251 4.094 50 0 DIAARO Cc1cc([C@H](C)[NH2+]Cc2ccc(Oc3cnccn3)cc2)c(C)o1 ZINC000174414216 1038934906 /nfs/dbraw/zinc/93/49/06/1038934906.db2.gz CKDIUHXHZXEZRL-AWEZNQCLSA-N 1 0 323.396 4.330 50 0 DIAARO C[C@@H]1CCC[N@H+](CCCOc2cc(Cl)ccc2Cl)C1 ZINC000002822885 1040114278 /nfs/dbraw/zinc/11/42/78/1040114278.db2.gz IBVXGCVRFYPIRL-GFCCVEGCSA-N 1 0 302.245 4.494 50 0 DIAARO CC[C@H](C)[NH2+]CCCOc1c(C)cc(C)cc1Br ZINC000002822470 1040114566 /nfs/dbraw/zinc/11/45/66/1040114566.db2.gz VGOLDQYBUVZFOS-ZDUSSCGKSA-N 1 0 314.267 4.223 50 0 DIAARO CCOc1cccc(OCCCC[N@H+](C)Cc2ccccc2)c1 ZINC000002822034 1040115864 /nfs/dbraw/zinc/11/58/64/1040115864.db2.gz IPLAILXHSYIYOC-UHFFFAOYSA-N 1 0 313.441 4.376 50 0 DIAARO Cc1ccccc1C[N@@H+]1CCC[C@@](C)(COc2ccncc2)C1 ZINC000257174103 1041541177 /nfs/dbraw/zinc/54/11/77/1041541177.db2.gz CGRLARIAAOAXFF-HXUWFJFHSA-N 1 0 310.441 4.071 50 0 DIAARO COc1cccc(CC2CC[NH+]([C@@H](C)c3cc(C)on3)CC2)c1 ZINC000585084907 1042206834 /nfs/dbraw/zinc/20/68/34/1042206834.db2.gz HJQXEWJWJNSVEH-HNNXBMFYSA-N 1 0 314.429 4.007 50 0 DIAARO C[C@@H](O)CCC[NH2+][C@H](c1ccccc1)c1cccc2[nH]ccc21 ZINC000888098988 1042265538 /nfs/dbraw/zinc/26/55/38/1042265538.db2.gz SJIQGJHOZUKECF-FOIQADDNSA-N 1 0 308.425 4.008 50 0 DIAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012767810 1043325764 /nfs/dbraw/zinc/32/57/64/1043325764.db2.gz ZCZYUPCXSUDUSF-UHFFFAOYSA-N 1 0 312.413 4.196 50 0 DIAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1ccccc1C(F)(F)F ZINC000215962651 1044342423 /nfs/dbraw/zinc/34/24/23/1044342423.db2.gz GATBSFDTCAAUJR-AWEZNQCLSA-N 1 0 301.352 4.096 50 0 DIAARO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)s1 ZINC000155255005 1044693293 /nfs/dbraw/zinc/69/32/93/1044693293.db2.gz YEDUCODJAKBUCM-CQSZACIVSA-N 1 0 314.454 4.034 50 0 DIAARO CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000020865522 1045581091 /nfs/dbraw/zinc/58/10/91/1045581091.db2.gz YLZKLSKGAWXIKH-CQSZACIVSA-N 1 0 303.837 4.320 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(Cl)cc1Cl ZINC000248026281 1046528764 /nfs/dbraw/zinc/52/87/64/1046528764.db2.gz MFCPDRXLSFEJIH-FVQBIDKESA-N 1 0 314.256 4.291 50 0 DIAARO CC[C@H]1C[N@H+](Cc2sccc2C)Cc2cc(OC)ccc2O1 ZINC000067433562 1047273246 /nfs/dbraw/zinc/27/32/46/1047273246.db2.gz BKHLYRGAQCGVNI-HNNXBMFYSA-N 1 0 317.454 4.238 50 0 DIAARO CC[N@H+](Cc1cc(C)nc2ccccc12)[C@@H]1CCOC(C)(C)C1 ZINC000810044111 1048224525 /nfs/dbraw/zinc/22/45/25/1048224525.db2.gz XVANFDAUGXMFCZ-QGZVFWFLSA-N 1 0 312.457 4.323 50 0 DIAARO COc1ccc(CNc2cc(C)[nH+]c3ccc(OC)cc23)cc1 ZINC000006949182 1048531207 /nfs/dbraw/zinc/53/12/07/1048531207.db2.gz AGGRIJMWCXMZIX-UHFFFAOYSA-N 1 0 308.381 4.173 50 0 DIAARO Cc1cc([C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)n(C)n1 ZINC000793514297 1048646218 /nfs/dbraw/zinc/64/62/18/1048646218.db2.gz FEOQXJOPWOSSFC-MRXNPFEDSA-N 1 0 305.425 4.169 50 0 DIAARO CCc1csc(C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)n1 ZINC000823542185 1050146552 /nfs/dbraw/zinc/14/65/52/1050146552.db2.gz DXTFRKVXCALSHX-CYBMUJFWSA-N 1 0 313.470 4.298 50 0 DIAARO Cc1c(C[NH2+]CCCn2ccnc2C(C)C)[nH]c2c1cccc2C ZINC000952962283 1051123094 /nfs/dbraw/zinc/12/30/94/1051123094.db2.gz BQZFBXMQHOFVIX-UHFFFAOYSA-N 1 0 324.472 4.285 50 0 DIAARO Clc1ccccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000011662887 1056572215 /nfs/dbraw/zinc/57/22/15/1056572215.db2.gz ANYCTSLDRAPZGR-KRWDZBQOSA-N 1 0 300.833 4.417 50 0 DIAARO CCC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000011870829 1056791017 /nfs/dbraw/zinc/79/10/17/1056791017.db2.gz BKVOKHAUALWBIT-UHFFFAOYSA-N 1 0 317.816 4.317 50 0 DIAARO CCCC[C@H]1C[N@H+](Cc2cccc(C)n2)Cc2ccccc2O1 ZINC000012152047 1056986433 /nfs/dbraw/zinc/98/64/33/1056986433.db2.gz ZGAGXPARIIUOOR-IBGZPJMESA-N 1 0 310.441 4.343 50 0 DIAARO CC(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012244378 1057000870 /nfs/dbraw/zinc/00/08/70/1057000870.db2.gz MOXQXAHYQGQFHV-CYBMUJFWSA-N 1 0 319.399 4.190 50 0 DIAARO CCC[N@@H+]1CCC[C@@H](Nc2ccc3cc(Cl)ccc3n2)C1 ZINC001529155620 1058626180 /nfs/dbraw/zinc/62/61/80/1058626180.db2.gz WNXPYQWMCVHGNZ-OAHLLOKOSA-N 1 0 303.837 4.175 50 0 DIAARO Cc1ccc2c(C)cc(N[C@H](C)CCn3cccn3)nc2c1C ZINC001529161472 1058628668 /nfs/dbraw/zinc/62/86/68/1058628668.db2.gz KGSOUESTCLHVKC-OAHLLOKOSA-N 1 0 308.429 4.247 50 0 DIAARO C[NH+](C)Cc1ccc([C@H]2CCCN2c2ncccc2Cl)cc1 ZINC001529181848 1058631278 /nfs/dbraw/zinc/63/12/78/1058631278.db2.gz QIGTWLIHFHQXOL-QGZVFWFLSA-N 1 0 315.848 4.138 50 0 DIAARO COc1ccnc(C[N@H+](CCc2c[nH]c3ccccc23)C(C)C)c1 ZINC001529188770 1058634356 /nfs/dbraw/zinc/63/43/56/1058634356.db2.gz CGJFGQDSOOKOQY-UHFFFAOYSA-N 1 0 323.440 4.025 50 0 DIAARO Cc1ncsc1C[N@H+](C)CCCOc1ccccc1Cl ZINC001529196485 1058636657 /nfs/dbraw/zinc/63/66/57/1058636657.db2.gz AURKDHNHXMXJBG-UHFFFAOYSA-N 1 0 310.850 4.006 50 0 DIAARO C[N@H+](CCCOc1ccc(F)cc1)[C@@H](c1ccccn1)C1CC1 ZINC001506414358 1063507323 /nfs/dbraw/zinc/50/73/23/1063507323.db2.gz YHSRQWRVCMVTJL-LJQANCHMSA-N 1 0 314.404 4.073 50 0 DIAARO CCOCCNc1c(C)c(C)[nH+]c2ccc(Br)cc21 ZINC000078903784 185126206 /nfs/dbraw/zinc/12/62/06/185126206.db2.gz OGJVIDGRUOTKOB-UHFFFAOYSA-N 1 0 323.234 4.063 50 0 DIAARO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1F)c1ccncc1 ZINC000095419212 185359731 /nfs/dbraw/zinc/35/97/31/185359731.db2.gz YOGYUVNSDATQLN-GHMZBOCLSA-N 1 0 323.209 4.395 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cc(Br)ccc1F ZINC000095419211 185359920 /nfs/dbraw/zinc/35/99/20/185359920.db2.gz YOGYUVNSDATQLN-WDEREUQCSA-N 1 0 323.209 4.395 50 0 DIAARO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3cccnc3)o2)C1 ZINC000097002171 185396402 /nfs/dbraw/zinc/39/64/02/185396402.db2.gz ADFHLPFLLVWNQB-ZBFHGGJFSA-N 1 0 302.443 4.105 50 0 DIAARO CCCC1CCC(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000095430569 185362896 /nfs/dbraw/zinc/36/28/96/185362896.db2.gz ZIOFCMHNVSHYQE-UYSNPLJNSA-N 1 0 320.443 4.067 50 0 DIAARO CC(C)([NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000071767171 191029017 /nfs/dbraw/zinc/02/90/17/191029017.db2.gz BXBYGPALFXQMPS-UHFFFAOYSA-N 1 0 309.453 4.187 50 0 DIAARO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccco3)nc2)cc1 ZINC000072121928 191039884 /nfs/dbraw/zinc/03/98/84/191039884.db2.gz XIGPZDLPKZETPC-QGZVFWFLSA-N 1 0 323.371 4.213 50 0 DIAARO Cc1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)c(C)n1 ZINC000072120667 191040595 /nfs/dbraw/zinc/04/05/95/191040595.db2.gz BBFKMPBVJPAGMW-SFHVURJKSA-N 1 0 310.441 4.146 50 0 DIAARO Cc1ccccc1CC[C@@H]1CCC[N@H+](Cc2cncn2C2CC2)C1 ZINC000072146376 191053286 /nfs/dbraw/zinc/05/32/86/191053286.db2.gz WEKDQPOPAQZWLO-SFHVURJKSA-N 1 0 323.484 4.371 50 0 DIAARO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]3c3ccccn3)ccc2O1 ZINC000072158542 191060923 /nfs/dbraw/zinc/06/09/23/191060923.db2.gz PBROBYMVKLCIQJ-SFHVURJKSA-N 1 0 308.425 4.132 50 0 DIAARO FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000072311936 191119481 /nfs/dbraw/zinc/11/94/81/191119481.db2.gz QCCXZFQUMZGMEA-MRXNPFEDSA-N 1 0 304.340 4.020 50 0 DIAARO CC[NH+](CC)Cn1c2ccccc2c(C)c1C(=O)c1ccccc1 ZINC000072434058 191164019 /nfs/dbraw/zinc/16/40/19/191164019.db2.gz PNBUUIVOGWPWKY-UHFFFAOYSA-N 1 0 320.436 4.480 50 0 DIAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc([C@H]2CCCO2)s1 ZINC000072463759 191173929 /nfs/dbraw/zinc/17/39/29/191173929.db2.gz SOQYMHKAFLWDMS-CQSZACIVSA-N 1 0 322.499 4.039 50 0 DIAARO O=C(CCc1ccccc1)[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072472951 191175408 /nfs/dbraw/zinc/17/54/08/191175408.db2.gz YXRRZVOYFBTKHT-KRWDZBQOSA-N 1 0 313.466 4.162 50 0 DIAARO Cc1ccccc1[C@@H](Cn1ccnc1-c1ccsc1)[NH+](C)C ZINC000072475465 191176609 /nfs/dbraw/zinc/17/66/09/191176609.db2.gz QUXJEIYFBYFRHZ-QGZVFWFLSA-N 1 0 311.454 4.223 50 0 DIAARO CCOc1ccc(-c2c(C)n3c([n+]2-c2ccccc2)CCC3)cc1 ZINC000000390680 180775273 /nfs/dbraw/zinc/77/52/73/180775273.db2.gz RPRANKOVUNUGHJ-UHFFFAOYSA-N 1 0 319.428 4.085 50 0 DIAARO CC(C)(C)[NH2+]CCCOc1ccc(Br)cc1Cl ZINC000003003138 180976448 /nfs/dbraw/zinc/97/64/48/180976448.db2.gz NWEAMUAZDAECNF-UHFFFAOYSA-N 1 0 320.658 4.260 50 0 DIAARO Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000003342422 181008962 /nfs/dbraw/zinc/00/89/62/181008962.db2.gz KHGKWBAKIPQODI-LJQANCHMSA-N 1 0 308.425 4.079 50 0 DIAARO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000003443368 181020427 /nfs/dbraw/zinc/02/04/27/181020427.db2.gz CTNIMUZMTQZGSE-FQEVSTJZSA-N 1 0 322.452 4.469 50 0 DIAARO CC(C)(C)OC(=O)NCCCCCCCCCCCC[NH3+] ZINC000004202977 181084486 /nfs/dbraw/zinc/08/44/86/181084486.db2.gz ZFSCBYAYUUFEPJ-UHFFFAOYSA-N 1 0 300.487 4.371 50 0 DIAARO Cc1ccccc1CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000004199088 181084624 /nfs/dbraw/zinc/08/46/24/181084624.db2.gz COWAEVBLESSJDJ-UHFFFAOYSA-N 1 0 308.469 4.091 50 0 DIAARO COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1)=[N+]2C ZINC000004313454 181095681 /nfs/dbraw/zinc/09/56/81/181095681.db2.gz LRCIFJBHUGXSNJ-JLHYYAGUSA-N 1 0 320.412 4.193 50 0 DIAARO Cc1ccc([C@@](O)(c2cnc(C(C)C)n2C)c2ccccc2)cc1 ZINC000004312684 181095976 /nfs/dbraw/zinc/09/59/76/181095976.db2.gz GWRPWSLJVJYPPV-OAQYLSRUSA-N 1 0 320.436 4.136 50 0 DIAARO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000004657677 181132803 /nfs/dbraw/zinc/13/28/03/181132803.db2.gz KAMHGJPKIYTCRF-UHFFFAOYSA-N 1 0 314.187 4.431 50 0 DIAARO COc1ccc2ccccc2c1C[N@@H+]1CCc2ccccc2C1 ZINC000004695077 181137866 /nfs/dbraw/zinc/13/78/66/181137866.db2.gz QFPFDWPSTZPFOF-UHFFFAOYSA-N 1 0 303.405 4.407 50 0 DIAARO O=C(NC1CCCCCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000004675732 181135457 /nfs/dbraw/zinc/13/54/57/181135457.db2.gz WXZQHLVRHWSIHJ-UHFFFAOYSA-N 1 0 320.521 4.118 50 0 DIAARO C[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000004745827 181146984 /nfs/dbraw/zinc/14/69/84/181146984.db2.gz SMHBTZLEMGRGHG-HNNXBMFYSA-N 1 0 306.881 4.036 50 0 DIAARO CC[n+]1c(/C=C/c2ccc(OC)c(OC)c2)ccc2ccccc21 ZINC000004792137 181152657 /nfs/dbraw/zinc/15/26/57/181152657.db2.gz BVKSGJHHIPXEQF-FMIVXFBMSA-N 1 0 320.412 4.335 50 0 DIAARO COc1cc(Cl)c(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000004857537 181164285 /nfs/dbraw/zinc/16/42/85/181164285.db2.gz ABCLYPUTFNBOQR-LBPRGKRZSA-N 1 0 305.805 4.208 50 0 DIAARO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c(OC)c1C ZINC000004891804 181168731 /nfs/dbraw/zinc/16/87/31/181168731.db2.gz AKCQLROFPONWHO-GOSISDBHSA-N 1 0 311.425 4.179 50 0 DIAARO CC(=O)c1ccccc1OCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004869883 181166568 /nfs/dbraw/zinc/16/65/68/181166568.db2.gz AKHCKIKZYYLORN-HOTGVXAUSA-N 1 0 303.446 4.026 50 0 DIAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000004906276 181171474 /nfs/dbraw/zinc/17/14/74/181171474.db2.gz OJXUTEQKYARIAE-VXGBXAGGSA-N 1 0 302.245 4.350 50 0 DIAARO Cc1cc(C)c(OCC[N@@H+](C)Cc2ccccc2)c(Cl)c1 ZINC000004914455 181172128 /nfs/dbraw/zinc/17/21/28/181172128.db2.gz LOLXGYFWJUPJPV-UHFFFAOYSA-N 1 0 303.833 4.468 50 0 DIAARO CCC1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000004985502 181184950 /nfs/dbraw/zinc/18/49/50/181184950.db2.gz IGRBQOFMAHZQMB-UHFFFAOYSA-N 1 0 300.490 4.209 50 0 DIAARO C/C=C/c1ccc(OCCC[NH+]2CCCCCC2)c(OC)c1 ZINC000004985648 181185212 /nfs/dbraw/zinc/18/52/12/181185212.db2.gz HHJMVAPDHTWCBV-YCRREMRBSA-N 1 0 303.446 4.373 50 0 DIAARO Fc1ccc(C[NH+]2CCCCCCC2)cc1Br ZINC000004990263 181185957 /nfs/dbraw/zinc/18/59/57/181185957.db2.gz PMWPRRHITKTAOI-UHFFFAOYSA-N 1 0 300.215 4.354 50 0 DIAARO CC[NH+](CC)CCNc1cc(-c2ccncc2)nc2ccccc21 ZINC000005393270 181238721 /nfs/dbraw/zinc/23/87/21/181238721.db2.gz KJEUHHCYPABBBQ-UHFFFAOYSA-N 1 0 320.440 4.051 50 0 DIAARO CCCC[NH+](CCCC)CCCNC(=S)Nc1ccccc1 ZINC000005499203 181250141 /nfs/dbraw/zinc/25/01/41/181250141.db2.gz IYINLXVXEWSLLF-UHFFFAOYSA-N 1 0 321.534 4.265 50 0 DIAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006542940 181352889 /nfs/dbraw/zinc/35/28/89/181352889.db2.gz KENNCAPANAJUCK-KRWDZBQOSA-N 1 0 322.452 4.090 50 0 DIAARO Cc1cccc(OCCC[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000006584683 181357600 /nfs/dbraw/zinc/35/76/00/181357600.db2.gz CVRLCSGMZITJJE-UHFFFAOYSA-N 1 0 303.833 4.250 50 0 DIAARO Cc1cc(-n2c(C)cc(C[NH2+][C@@H](C)c3cccs3)c2C)no1 ZINC000006651111 181365139 /nfs/dbraw/zinc/36/51/39/181365139.db2.gz ISNDDXXZGCOJBA-ZDUSSCGKSA-N 1 0 315.442 4.303 50 0 DIAARO Cc1cc(C[NH2+]CC2CCCCC2)c(C)n1-c1nccs1 ZINC000006650956 181365203 /nfs/dbraw/zinc/36/52/03/181365203.db2.gz HPNRYXVSVNSMBP-UHFFFAOYSA-N 1 0 303.475 4.221 50 0 DIAARO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000006701755 181373390 /nfs/dbraw/zinc/37/33/90/181373390.db2.gz OQVBZYQKTOIDGO-UHFFFAOYSA-N 1 0 323.795 4.176 50 0 DIAARO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006785497 181388611 /nfs/dbraw/zinc/38/86/11/181388611.db2.gz CFOAZCLJQLEJMF-QGZVFWFLSA-N 1 0 324.468 4.483 50 0 DIAARO Cc1cccc([C@H]2CCCC[N@@H+]2Cc2cnc3ncccn23)c1C ZINC000093684309 193288590 /nfs/dbraw/zinc/28/85/90/193288590.db2.gz JJQALUKIRLHGEQ-LJQANCHMSA-N 1 0 320.440 4.073 50 0 DIAARO COC(=O)c1cccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c1 ZINC000013361830 181845843 /nfs/dbraw/zinc/84/58/43/181845843.db2.gz JCNSOJXFDWFBQE-OUKQBFOZSA-N 1 0 320.412 4.193 50 0 DIAARO Clc1ccc(OCCCSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000015456892 182003419 /nfs/dbraw/zinc/00/34/19/182003419.db2.gz ZZTNNXBYPUKSHP-GASCZTMLSA-N 1 0 324.877 4.113 50 0 DIAARO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000015837455 182020643 /nfs/dbraw/zinc/02/06/43/182020643.db2.gz MYRLQLZYFUSSTQ-IBGZPJMESA-N 1 0 315.388 4.180 50 0 DIAARO COc1ccc(-c2cn3c([n+]2-c2ccccc2)CCCCC3)cc1 ZINC000015973853 182027038 /nfs/dbraw/zinc/02/70/38/182027038.db2.gz RQWPMCHDZCMYDY-UHFFFAOYSA-N 1 0 319.428 4.167 50 0 DIAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000016449936 182045081 /nfs/dbraw/zinc/04/50/81/182045081.db2.gz UHLPUTYVVHGMKV-UHFFFAOYSA-N 1 0 305.780 4.310 50 0 DIAARO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016607496 182053340 /nfs/dbraw/zinc/05/33/40/182053340.db2.gz YWFZCPJJZZKTPQ-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO CCOc1cc(C[NH2+]CCc2cccc(Cl)c2)ccc1OC ZINC000019720868 182138166 /nfs/dbraw/zinc/13/81/66/182138166.db2.gz JVTOAVINDPWJRQ-UHFFFAOYSA-N 1 0 319.832 4.080 50 0 DIAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(-c2ccccc2)cc1 ZINC000019771289 182145581 /nfs/dbraw/zinc/14/55/81/182145581.db2.gz SQSJKDBFOPDVHW-LAUBAEHRSA-N 1 0 306.453 4.022 50 0 DIAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000019788250 182148204 /nfs/dbraw/zinc/14/82/04/182148204.db2.gz CCQYDTDTHNYNAO-CRAIPNDOSA-N 1 0 306.881 4.036 50 0 DIAARO CCc1ccc(CN2CC[NH+](Cc3ccc(CC)cc3)CC2)cc1 ZINC000019842316 182155771 /nfs/dbraw/zinc/15/57/71/182155771.db2.gz QBGZWAOKVWUNSN-UHFFFAOYSA-N 1 0 322.496 4.129 50 0 DIAARO c1coc(-c2cccc(C[NH2+][C@@H]3COc4ccccc4C3)c2)c1 ZINC000019840742 182155918 /nfs/dbraw/zinc/15/59/18/182155918.db2.gz IOIBUFCDNILDOZ-SFHVURJKSA-N 1 0 305.377 4.040 50 0 DIAARO C[NH+](C)CCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 ZINC000019859156 182158351 /nfs/dbraw/zinc/15/83/51/182158351.db2.gz IVNUVBLQODAIBU-KAVGSWPWSA-N 1 0 320.480 4.277 50 0 DIAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1CCc1cccs1 ZINC000020543027 182229085 /nfs/dbraw/zinc/22/90/85/182229085.db2.gz RUWCZIKKWPBTIF-HNNXBMFYSA-N 1 0 304.459 4.340 50 0 DIAARO O=C(c1cccs1)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021170804 182268481 /nfs/dbraw/zinc/26/84/81/182268481.db2.gz LOXDZIUHEFXMLS-INIZCTEOSA-N 1 0 320.502 4.009 50 0 DIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000021719968 182285947 /nfs/dbraw/zinc/28/59/47/182285947.db2.gz SDOLFJLQWSTLMO-QGZVFWFLSA-N 1 0 322.412 4.019 50 0 DIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2CC)cc1 ZINC000021720920 182286591 /nfs/dbraw/zinc/28/65/91/182286591.db2.gz XLPSFYAFRNXDSV-QGZVFWFLSA-N 1 0 314.429 4.281 50 0 DIAARO CC(C)=CCC[C@H](C)C[N@H+](CCN(C)C)Cc1ccccc1 ZINC000022044960 182306304 /nfs/dbraw/zinc/30/63/04/182306304.db2.gz YMEHPXXLAHOSLR-IBGZPJMESA-N 1 0 302.506 4.433 50 0 DIAARO O=C(CC[NH+]1CCCCC1)Nc1ccccc1-c1ccccc1 ZINC000022197380 182312976 /nfs/dbraw/zinc/31/29/76/182312976.db2.gz FNWSTDUWRTXMFE-UHFFFAOYSA-N 1 0 308.425 4.168 50 0 DIAARO C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)c1ccccc1 ZINC000023280106 182355739 /nfs/dbraw/zinc/35/57/39/182355739.db2.gz NPKAJJMXYLLONV-HNNXBMFYSA-N 1 0 310.224 4.159 50 0 DIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000023280300 182355756 /nfs/dbraw/zinc/35/57/56/182355756.db2.gz MOTTZHIQRNFIGL-CYBMUJFWSA-N 1 0 323.358 4.435 50 0 DIAARO c1ccc2cc(OCCCCCC[NH+]3CCOCC3)ccc2c1 ZINC000023115520 182348150 /nfs/dbraw/zinc/34/81/50/182348150.db2.gz KKJSEDWYDOTNRZ-UHFFFAOYSA-N 1 0 313.441 4.111 50 0 DIAARO CC(C)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000023128745 182350162 /nfs/dbraw/zinc/35/01/62/182350162.db2.gz ZAHSKLVLDOWCHM-AWEZNQCLSA-N 1 0 319.399 4.191 50 0 DIAARO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cccs1 ZINC000037301089 182878774 /nfs/dbraw/zinc/87/87/74/182878774.db2.gz AYJXZLAVQFPRFT-JTQLQIEISA-N 1 0 309.818 4.024 50 0 DIAARO CC(C)(C)OC(=O)NC1CC[NH+](CC2=CCCCCCC2)CC1 ZINC000038960948 183013503 /nfs/dbraw/zinc/01/35/03/183013503.db2.gz BBPVOCBYJROQCF-UHFFFAOYSA-N 1 0 322.493 4.256 50 0 DIAARO COc1cccc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1OC ZINC000040007515 183027379 /nfs/dbraw/zinc/02/73/79/183027379.db2.gz RORIPQZPHLKCDV-CYBMUJFWSA-N 1 0 303.377 4.036 50 0 DIAARO CC(C)c1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049891 183029960 /nfs/dbraw/zinc/02/99/60/183029960.db2.gz JNKMKBGVDPXLPW-HXUWFJFHSA-N 1 0 322.452 4.368 50 0 DIAARO CC(C)(c1ccccc1)c1ccc(OC2C[NH2+]C2)c(Cl)c1 ZINC000042769666 183306905 /nfs/dbraw/zinc/30/69/05/183306905.db2.gz HBCAYGVHSUNICP-UHFFFAOYSA-N 1 0 301.817 4.017 50 0 DIAARO CC[C@@H](C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000043071788 183334280 /nfs/dbraw/zinc/33/42/80/183334280.db2.gz VPXALHNJSVVHHG-ZBFHGGJFSA-N 1 0 315.436 4.441 50 0 DIAARO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(O)c2)cc1 ZINC000102410640 193885041 /nfs/dbraw/zinc/88/50/41/193885041.db2.gz WXHLGCIJXISKBE-REPLKXPHSA-N 1 0 323.436 4.311 50 0 DIAARO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)c1C ZINC000057877229 184060251 /nfs/dbraw/zinc/06/02/51/184060251.db2.gz SVAYMCZZWPVRCY-CQSZACIVSA-N 1 0 316.832 4.246 50 0 DIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(C)cc1 ZINC000058178794 184085242 /nfs/dbraw/zinc/08/52/42/184085242.db2.gz GDTZRGWUOCDKCB-UHFFFAOYSA-N 1 0 319.452 4.146 50 0 DIAARO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C)cc2)cc1)C(C)C ZINC000058244673 184093945 /nfs/dbraw/zinc/09/39/45/184093945.db2.gz JBGFAOLJIJCUMV-UHFFFAOYSA-N 1 0 310.441 4.478 50 0 DIAARO CCOc1cc(C[N@H+](C)Cc2ccccc2)ccc1OC(F)F ZINC000058754301 184127717 /nfs/dbraw/zinc/12/77/17/184127717.db2.gz LFBZKNPRAREZBV-UHFFFAOYSA-N 1 0 321.367 4.319 50 0 DIAARO Cc1ccc([C@@H](CNC(=O)CCC2CCCCC2)[NH+](C)C)cc1 ZINC000058439831 184118216 /nfs/dbraw/zinc/11/82/16/184118216.db2.gz NRFXYDQSLNUMHU-LJQANCHMSA-N 1 0 316.489 4.074 50 0 DIAARO C[C@@H](c1cccc(-c2nccc3ncccc32)c1)[NH+]1CCCC1 ZINC000065431534 184344123 /nfs/dbraw/zinc/34/41/23/184344123.db2.gz BUUASUONKXFGFW-HNNXBMFYSA-N 1 0 303.409 4.454 50 0 DIAARO CC/C=C\CCc1c(-c2ccccc2)ncn1C[C@H]1CC[N@H+](C)C1 ZINC000065396846 184336047 /nfs/dbraw/zinc/33/60/47/184336047.db2.gz RZLJEPYFGUSSIL-XDXAGZTOSA-N 1 0 323.484 4.401 50 0 DIAARO C[C@@H](c1cccc(-c2cccc(-n3cnnc3)c2)c1)[NH+]1CCCC1 ZINC000065498044 184355257 /nfs/dbraw/zinc/35/52/57/184355257.db2.gz XZBKQMXAKZRDEM-INIZCTEOSA-N 1 0 318.424 4.091 50 0 DIAARO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)(F)F ZINC000241170969 256602452 /nfs/dbraw/zinc/60/24/52/256602452.db2.gz KDEZORRRYXAKHW-YVECIDJPSA-N 1 0 317.351 4.192 50 0 DIAARO c1c(CN2CCCC[C@H]2c2cccnc2)onc1-c1ccccc1 ZINC000216488983 257273556 /nfs/dbraw/zinc/27/35/56/257273556.db2.gz PBADSUWMZUVZKR-FQEVSTJZSA-N 1 0 319.408 4.464 50 0 DIAARO C[C@@H](c1ccc(-c2nncc3ccccc32)cc1)[NH+]1CCCC1 ZINC000426733975 257243164 /nfs/dbraw/zinc/24/31/64/257243164.db2.gz HBAFEOANDXBGBI-HNNXBMFYSA-N 1 0 303.409 4.454 50 0 DIAARO Cc1c(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)cnn1C(F)F ZINC000426477715 257249133 /nfs/dbraw/zinc/24/91/33/257249133.db2.gz KGEVBVWMBGXZCG-GFCCVEGCSA-N 1 0 305.372 4.410 50 0 DIAARO COc1ccc(CC[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000096981641 257253431 /nfs/dbraw/zinc/25/34/31/257253431.db2.gz GUVZYGWISZNWOE-OAQYLSRUSA-N 1 0 318.420 4.012 50 0 DIAARO Cc1ccccc1CN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000240163525 257259910 /nfs/dbraw/zinc/25/99/10/257259910.db2.gz JBNGYRVTKLXUGR-LEWJYISDSA-N 1 0 312.501 4.224 50 0 DIAARO Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1 ZINC000135028469 196439583 /nfs/dbraw/zinc/43/95/83/196439583.db2.gz GMEWKOLCUYSVQV-KBPBESRZSA-N 1 0 316.470 4.058 50 0 DIAARO CC(C)n1ncc2c1[C@H]([NH2+]Cc1ccc3occc3c1)CCC2 ZINC000375764831 337019031 /nfs/dbraw/zinc/01/90/31/337019031.db2.gz SLYBVRXDMFVMSW-QGZVFWFLSA-N 1 0 309.413 4.377 50 0 DIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2cccs2)c1 ZINC000095422757 563931404 /nfs/dbraw/zinc/93/14/04/563931404.db2.gz DKQYXICNERAQJL-CHWSQXEVSA-N 1 0 302.443 4.161 50 0 DIAARO CCCC[NH2+]CCOCCOc1cc(C)ccc1C(C)(C)C ZINC000003003919 563320875 /nfs/dbraw/zinc/32/08/75/563320875.db2.gz RYDQCQPHPURCTG-UHFFFAOYSA-N 1 0 307.478 4.078 50 0 DIAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(OC)c3)c2c1 ZINC000000144075 563223890 /nfs/dbraw/zinc/22/38/90/563223890.db2.gz OTUFBPMPGHGJQF-UHFFFAOYSA-N 1 0 322.364 4.082 50 0 DIAARO Nc1[nH+]c2ccccc2n1CCOc1ccc(Cl)cc1Cl ZINC000000474000 563261118 /nfs/dbraw/zinc/26/11/18/563261118.db2.gz RMBGJKRYZOEJMN-UHFFFAOYSA-N 1 0 322.195 4.004 50 0 DIAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1cccs1 ZINC000000806067 563271771 /nfs/dbraw/zinc/27/17/71/563271771.db2.gz IEDSMAHPXUMLJX-UHFFFAOYSA-N 1 0 305.443 4.224 50 0 DIAARO CC[NH+](CC)CCOC(=O)C1(C2CCCCC2)CCCCC1 ZINC000001530613 563284703 /nfs/dbraw/zinc/28/47/03/563284703.db2.gz CURUTKGFNZGFSE-UHFFFAOYSA-N 1 0 309.494 4.402 50 0 fda DIAARO C[NH2+]CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000001530638 563284781 /nfs/dbraw/zinc/28/47/81/563284781.db2.gz RTHCYVBBDHJXIQ-MRXNPFEDSA-N 1 0 309.331 4.435 50 0 fda DIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(Cl)cc1F ZINC000002514916 563305064 /nfs/dbraw/zinc/30/50/64/563305064.db2.gz DAZKYNATJFBESU-UHFFFAOYSA-N 1 0 315.775 4.082 50 0 DIAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)c(F)c1 ZINC000002515073 563305912 /nfs/dbraw/zinc/30/59/12/563305912.db2.gz TXNIYDOBXHVIFZ-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO CSc1ccccc1C(=O)c1ccccc1C[NH+]1CCCC1 ZINC000002515554 563306050 /nfs/dbraw/zinc/30/60/50/563306050.db2.gz IRIPVQNENYEEKP-UHFFFAOYSA-N 1 0 311.450 4.235 50 0 DIAARO Brc1ccccc1OCCC[NH+]1CCCCCC1 ZINC000002839483 563314418 /nfs/dbraw/zinc/31/44/18/563314418.db2.gz IVLBYNZHIIIEOH-UHFFFAOYSA-N 1 0 312.251 4.094 50 0 DIAARO CCCC[NH2+]CCCOc1ccc(Cl)cc1Br ZINC000003001215 563320383 /nfs/dbraw/zinc/32/03/83/563320383.db2.gz QKGBIRQLPFDNQG-UHFFFAOYSA-N 1 0 320.658 4.261 50 0 DIAARO Cc1ccc([C@H](C)CC[NH+]2CCN(c3ccc(F)cc3)CC2)o1 ZINC000005031901 563329169 /nfs/dbraw/zinc/32/91/69/563329169.db2.gz ZECOJURMMLMNFK-OAHLLOKOSA-N 1 0 316.420 4.043 50 0 DIAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1 ZINC000007540865 563339565 /nfs/dbraw/zinc/33/95/65/563339565.db2.gz PLXUGOTXTJMHGW-INIZCTEOSA-N 1 0 321.420 4.332 50 0 DIAARO CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008227242 563345438 /nfs/dbraw/zinc/34/54/38/563345438.db2.gz CPMHUJVGUMZYII-UHFFFAOYSA-N 1 0 305.805 4.037 50 0 DIAARO CC(C)(C)c1nc(C[NH2+]CCCOC2CCCCC2)cs1 ZINC000097491779 563351443 /nfs/dbraw/zinc/35/14/43/563351443.db2.gz RYLUHYAXLUMBCM-UHFFFAOYSA-N 1 0 310.507 4.270 50 0 DIAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000012297146 563365381 /nfs/dbraw/zinc/36/53/81/563365381.db2.gz JWWFCCGHOMADTN-QGZVFWFLSA-N 1 0 315.457 4.311 50 0 DIAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000012246072 563365443 /nfs/dbraw/zinc/36/54/43/563365443.db2.gz PAYZAYAKEVLXHZ-HNNXBMFYSA-N 1 0 313.420 4.338 50 0 DIAARO CC[C@@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012241531 563365489 /nfs/dbraw/zinc/36/54/89/563365489.db2.gz VPXALHNJSVVHHG-GDBMZVCRSA-N 1 0 315.436 4.441 50 0 DIAARO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCCC[C@H]1C ZINC000012439235 563369572 /nfs/dbraw/zinc/36/95/72/563369572.db2.gz DZVOFAQCJLBKHE-LLVKDONJSA-N 1 0 306.356 4.303 50 0 DIAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3ccsc3)C2)cc1F ZINC000012469455 563369838 /nfs/dbraw/zinc/36/98/38/563369838.db2.gz MLPSPYWTNYSGSS-CQSZACIVSA-N 1 0 308.397 4.103 50 0 DIAARO Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000013829485 563389983 /nfs/dbraw/zinc/38/99/83/563389983.db2.gz YSTAPDGDOHWKQR-HMXCVIKNSA-N 1 0 311.469 4.251 50 0 DIAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000247011990 563418250 /nfs/dbraw/zinc/41/82/50/563418250.db2.gz UCEBJRYNJBAOGW-QOWREQOWSA-N 1 0 313.363 4.170 50 0 DIAARO CC(C)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029482413 563434663 /nfs/dbraw/zinc/43/46/63/563434663.db2.gz XGMFBRBOCBUIPX-FQEVSTJZSA-N 1 0 322.452 4.368 50 0 DIAARO COc1cc(C)c(C[NH2+][C@H](C)CCCC(C)(C)O)c(C)c1C ZINC000032590511 563442688 /nfs/dbraw/zinc/44/26/88/563442688.db2.gz JNBVYURZVHOQNJ-CQSZACIVSA-N 1 0 307.478 4.040 50 0 DIAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@H]1c1ccccc1Cl ZINC000033087109 563444173 /nfs/dbraw/zinc/44/41/73/563444173.db2.gz MEAVTFOQQPCHKR-SFHVURJKSA-N 1 0 317.864 4.499 50 0 DIAARO Cc1ccc2[nH]c(CCc3ccc(NC(=O)C(C)C)cc3)nc2c1 ZINC000032960992 563446063 /nfs/dbraw/zinc/44/60/63/563446063.db2.gz ACFXYRVRQPWKDS-UHFFFAOYSA-N 1 0 321.424 4.251 50 0 DIAARO Cc1ccc2[nH]c(CCc3ccc(NC(=O)C4CC4)cc3)nc2c1 ZINC000032960922 563446160 /nfs/dbraw/zinc/44/61/60/563446160.db2.gz OZNIEZAALDDDQW-UHFFFAOYSA-N 1 0 319.408 4.005 50 0 DIAARO CCCC(=O)Nc1ccc(CCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000032960990 563446461 /nfs/dbraw/zinc/44/64/61/563446461.db2.gz GUABAUDHBIEECK-UHFFFAOYSA-N 1 0 321.424 4.395 50 0 DIAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000022078291 563448952 /nfs/dbraw/zinc/44/89/52/563448952.db2.gz LNEOUCDXRBFVTR-DYESRHJHSA-N 1 0 322.452 4.147 50 0 DIAARO Cc1ccsc1CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000252427589 563451835 /nfs/dbraw/zinc/45/18/35/563451835.db2.gz LNYKFDYVUPKCTB-IEBWSBKVSA-N 1 0 318.530 4.285 50 0 DIAARO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000035462924 563452453 /nfs/dbraw/zinc/45/24/53/563452453.db2.gz UZFSWTZILMXUJB-CQSZACIVSA-N 1 0 310.622 4.411 50 0 DIAARO Brc1ccc2c(ccc[n+]2CCc2ccccc2)c1 ZINC000036381190 563455413 /nfs/dbraw/zinc/45/54/13/563455413.db2.gz PPAKITSWDPWOEN-UHFFFAOYSA-N 1 0 313.218 4.133 50 0 DIAARO Cc1cc([C@H]2CCCN2Cc2ccccc2Br)on1 ZINC000052009751 563469017 /nfs/dbraw/zinc/46/90/17/563469017.db2.gz IIVWDCKLKNMERT-CQSZACIVSA-N 1 0 321.218 4.083 50 0 DIAARO COc1ccc(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)cc1O ZINC000055271674 563473586 /nfs/dbraw/zinc/47/35/86/563473586.db2.gz ZZJIPCHINJULGE-AWEZNQCLSA-N 1 0 303.402 4.041 50 0 DIAARO CC[C@H](CO)[N@H+](C/C(C)=C/c1ccco1)Cc1ccsc1 ZINC000055270251 563474034 /nfs/dbraw/zinc/47/40/34/563474034.db2.gz BDPUIRRMUBEFDD-SCZPIIQISA-N 1 0 305.443 4.018 50 0 DIAARO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058019555 563478486 /nfs/dbraw/zinc/47/84/86/563478486.db2.gz AXCDKTZXGSMHMO-XQQFMLRXSA-N 1 0 319.836 4.429 50 0 DIAARO CC[N@H+](C)C1CCN(c2cccc(-c3csc(C)n3)c2)CC1 ZINC000063857532 563484929 /nfs/dbraw/zinc/48/49/29/563484929.db2.gz WGXAKVMPBJJQBG-UHFFFAOYSA-N 1 0 315.486 4.039 50 0 DIAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnc(C)s2)cc1 ZINC000096485578 563485069 /nfs/dbraw/zinc/48/50/69/563485069.db2.gz WDCGXGQBNOFSSI-NEPJUHHUSA-N 1 0 317.458 4.212 50 0 DIAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000064666870 563485906 /nfs/dbraw/zinc/48/59/06/563485906.db2.gz PZCBJNSVMDRJHY-QGZVFWFLSA-N 1 0 300.402 4.109 50 0 DIAARO CC[C@@H](C)[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C1CCCC1 ZINC000067896427 563493584 /nfs/dbraw/zinc/49/35/84/563493584.db2.gz MXZUYYGFCIPGMZ-CYBMUJFWSA-N 1 0 316.420 4.210 50 0 DIAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCCC1 ZINC000067954353 563494320 /nfs/dbraw/zinc/49/43/20/563494320.db2.gz ZUJAAYDLNVNSQF-UHFFFAOYSA-N 1 0 310.319 4.265 50 0 DIAARO Fc1cccc(F)c1CC[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000071404275 563499911 /nfs/dbraw/zinc/49/99/11/563499911.db2.gz MIVLGVRJFNFQTQ-OAHLLOKOSA-N 1 0 316.395 4.205 50 0 DIAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000077377586 563509195 /nfs/dbraw/zinc/50/91/95/563509195.db2.gz QFLWSCNSHWETHD-GOSISDBHSA-N 1 0 323.440 4.383 50 0 DIAARO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(C)c1 ZINC000097227509 563513002 /nfs/dbraw/zinc/51/30/02/563513002.db2.gz XAVYDQIZCBQCFK-KSFYIVLOSA-N 1 0 315.482 4.200 50 0 DIAARO C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cnccn1 ZINC000097037233 563516740 /nfs/dbraw/zinc/51/67/40/563516740.db2.gz LQQHFJQVEHGSOT-CVEARBPZSA-N 1 0 310.445 4.024 50 0 DIAARO C[N@@H+]1CC[C@](OC(=O)c2ccccc2)(c2ccccc2)C(C)(C)C1 ZINC000000080851 563524610 /nfs/dbraw/zinc/52/46/10/563524610.db2.gz ZKZBUCGVJVYHEN-NRFANRHFSA-N 1 0 323.436 4.101 50 0 DIAARO CC(C)Oc1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nn1 ZINC000097295097 563538557 /nfs/dbraw/zinc/53/85/57/563538557.db2.gz UNNWBAVBXVNZGZ-HNNXBMFYSA-N 1 0 311.429 4.088 50 0 DIAARO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C2CCCCC2)C[C@@H]1C ZINC000000098414 563538564 /nfs/dbraw/zinc/53/85/64/563538564.db2.gz YHAZEJUWPWABOU-OXJNMPFZSA-N 1 0 315.457 4.120 50 0 DIAARO CO[C@@H]1CC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000097551480 563540620 /nfs/dbraw/zinc/54/06/20/563540620.db2.gz CKLJTDXVDAILGM-GOSISDBHSA-N 1 0 317.816 4.353 50 0 DIAARO C([C@@H]1COC2(CCCCCCCCCCC2)O1)[NH+]1CCCC1 ZINC000000194382 563576762 /nfs/dbraw/zinc/57/67/62/563576762.db2.gz MSSAIEVACVNALM-GOSISDBHSA-N 1 0 309.494 4.499 50 0 DIAARO COc1ccc(-c2ccc3c(c2)c2c4n3CC[NH2+][C@H]4CCC2)cc1 ZINC000000287008 563584770 /nfs/dbraw/zinc/58/47/70/563584770.db2.gz MXEXVQBKSULBLE-IBGZPJMESA-N 1 0 318.420 4.298 50 0 DIAARO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000078739038 563617781 /nfs/dbraw/zinc/61/77/81/563617781.db2.gz ILQKCPWRQAHCKN-JKSUJKDBSA-N 1 0 310.441 4.317 50 0 DIAARO Cc1ccc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000001167056 563633143 /nfs/dbraw/zinc/63/31/43/563633143.db2.gz BEQIRSRJRBDQRI-UHFFFAOYSA-N 1 0 308.469 4.091 50 0 DIAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000107504642 563683957 /nfs/dbraw/zinc/68/39/57/563683957.db2.gz YDUSXYLTWIEXSB-CEQIKUNHSA-N 1 0 324.468 4.137 50 0 DIAARO Cc1cc([C@H]2CCCN2Cc2coc(-c3ccc(C)cc3)n2)on1 ZINC000048262147 563694269 /nfs/dbraw/zinc/69/42/69/563694269.db2.gz ZDJBIKHGQBMBAY-QGZVFWFLSA-N 1 0 323.396 4.284 50 0 DIAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000048710408 563700072 /nfs/dbraw/zinc/70/00/72/563700072.db2.gz YKVZDONQJMDHDB-GFCCVEGCSA-N 1 0 318.367 4.164 50 0 DIAARO CC[N@H+](Cc1ccc2cccc(Cl)c2n1)[C@@H]1CCCC[C@H]1O ZINC000215239114 563704229 /nfs/dbraw/zinc/70/42/29/563704229.db2.gz PHAGXSUPINBKQC-IAGOWNOFSA-N 1 0 318.848 4.014 50 0 DIAARO CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000051540210 563705191 /nfs/dbraw/zinc/70/51/91/563705191.db2.gz FIVNQEMFSFYVEZ-SFHVURJKSA-N 1 0 317.454 4.123 50 0 DIAARO COc1cccc2ccc(C[N@@H+]3CC[C@H]3c3ccccc3)nc21 ZINC000216185472 563708065 /nfs/dbraw/zinc/70/80/65/563708065.db2.gz NIPVCSHBMQOEGE-SFHVURJKSA-N 1 0 304.393 4.190 50 0 DIAARO CC[C@H]([NH2+]C1CCSCC1)c1nc(C(F)(F)F)cs1 ZINC000095968791 563714082 /nfs/dbraw/zinc/71/40/82/563714082.db2.gz MKMXTQMSMBXLFV-VIFPVBQESA-N 1 0 310.410 4.098 50 0 DIAARO C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccccc1 ZINC000000819507 563721446 /nfs/dbraw/zinc/72/14/46/563721446.db2.gz CVBJDSYMEUHPRF-UHFFFAOYSA-N 1 0 311.816 4.362 50 0 DIAARO COc1cc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)ccn1 ZINC000225714006 563760689 /nfs/dbraw/zinc/76/06/89/563760689.db2.gz RKJYTMKIEJYDOP-KGYLQXTDSA-N 1 0 322.861 4.087 50 0 DIAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]C2CC2)cc1 ZINC000032202720 563769000 /nfs/dbraw/zinc/76/90/00/563769000.db2.gz ABMFOXFXXCZRJX-UHFFFAOYSA-N 1 0 305.780 4.310 50 0 DIAARO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(F)c1 ZINC000229508946 563772905 /nfs/dbraw/zinc/77/29/05/563772905.db2.gz FPDDPTLDINSGBI-MGPUTAFESA-N 1 0 313.416 4.160 50 0 DIAARO CC[NH+](CC)CCCOc1ccc(Br)cc1Cl ZINC000230552905 563773544 /nfs/dbraw/zinc/77/35/44/563773544.db2.gz XCNALLTVIWWMHU-UHFFFAOYSA-N 1 0 320.658 4.213 50 0 DIAARO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000241515598 563777507 /nfs/dbraw/zinc/77/75/07/563777507.db2.gz OGKSXUYCCKUANP-FBBABVLZSA-N 1 0 309.453 4.297 50 0 DIAARO Cc1ccc(OCC[N@@H+]2CCCC[C@H]2c2ccccn2)c(C)c1 ZINC000244719171 563779024 /nfs/dbraw/zinc/77/90/24/563779024.db2.gz LYDXOJADMMSJED-IBGZPJMESA-N 1 0 310.441 4.304 50 0 DIAARO C[C@H](c1cnccn1)[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000184545372 563813969 /nfs/dbraw/zinc/81/39/69/563813969.db2.gz QIUCQUHFQNWFIC-CYBMUJFWSA-N 1 0 324.403 4.038 50 0 DIAARO Clc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc2c1OCO2 ZINC000084525548 563827673 /nfs/dbraw/zinc/82/76/73/563827673.db2.gz PGNQWFPOUMTNQL-HNNXBMFYSA-N 1 0 315.800 4.058 50 0 DIAARO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1ccccc1-n1cccn1 ZINC000084660898 563829783 /nfs/dbraw/zinc/82/97/83/563829783.db2.gz NNFMWZPOUFLYDH-QGZVFWFLSA-N 1 0 317.436 4.255 50 0 DIAARO CCC[C@H]1CCC[N@H+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000084740783 563830467 /nfs/dbraw/zinc/83/04/67/563830467.db2.gz INDJMRALPVKJHV-AWEZNQCLSA-N 1 0 316.474 4.002 50 0 DIAARO C[NH+](C)C[C@@H]1CCC[C@@H](c2ccccc2)[C@@]1(O)c1ccccc1 ZINC000102194269 563866747 /nfs/dbraw/zinc/86/67/47/563866747.db2.gz DCTQANNLOUFMPQ-PCCBWWKXSA-N 1 0 309.453 4.020 50 0 DIAARO C[C@@H]1CCC[C@@H]1[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000222095597 563869483 /nfs/dbraw/zinc/86/94/83/563869483.db2.gz VFVQTNJXXPSXBA-UHOFOFEASA-N 1 0 324.262 4.011 50 0 DIAARO C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)c1cccnc1 ZINC000090400564 563870566 /nfs/dbraw/zinc/87/05/66/563870566.db2.gz UANMGTAHITXXOQ-CHWSQXEVSA-N 1 0 319.246 4.126 50 0 DIAARO CCCOc1ccc2nc(C)c(CCC)c(SC(N)=[NH2+])c2c1 ZINC000001791991 563878741 /nfs/dbraw/zinc/87/87/41/563878741.db2.gz HLCDMZNVBJQEFI-UHFFFAOYSA-N 1 0 317.458 4.270 50 0 DIAARO CC(C)[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000075568195 563885121 /nfs/dbraw/zinc/88/51/21/563885121.db2.gz JAVPQCZOXMYSHP-OXQOHEQNSA-N 1 0 310.441 4.391 50 0 DIAARO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000006566376 563890430 /nfs/dbraw/zinc/89/04/30/563890430.db2.gz XGHOGRQGQKPKTK-GXFFZTMASA-N 1 0 315.244 4.100 50 0 DIAARO CCC[C@H](O)C[N@H+](Cc1ccc(C)s1)Cc1ccc(F)cc1 ZINC000036101538 563893672 /nfs/dbraw/zinc/89/36/72/563893672.db2.gz AXAAULVYLBTDKJ-KRWDZBQOSA-N 1 0 321.461 4.359 50 0 DIAARO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)Cc2ccccc2)c1 ZINC000036100396 563893930 /nfs/dbraw/zinc/89/39/30/563893930.db2.gz GDARFDQPBXGQJN-OAQYLSRUSA-N 1 0 311.469 4.057 50 0 DIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016279 563901225 /nfs/dbraw/zinc/90/12/25/563901225.db2.gz LJPZRZPBKPEFGG-CALCHBBNSA-N 1 0 322.452 4.417 50 0 DIAARO C[C@H]1CCCCN1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000007486565 563906559 /nfs/dbraw/zinc/90/65/59/563906559.db2.gz ZFNCUJWBOYSWEM-INIZCTEOSA-N 1 0 324.424 4.292 50 0 DIAARO C[C@@H]1CCCCN1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000007486564 563906609 /nfs/dbraw/zinc/90/66/09/563906609.db2.gz ZFNCUJWBOYSWEM-MRXNPFEDSA-N 1 0 324.424 4.292 50 0 DIAARO Cc1ccc(CCC[N@@H+]2CCCCC[C@@H]2c2ccncc2)cn1 ZINC000170607011 563907793 /nfs/dbraw/zinc/90/77/93/563907793.db2.gz CWTIHQHMNMBFIY-HXUWFJFHSA-N 1 0 309.457 4.335 50 0 DIAARO C[C@@H]1CCCC[N@@H+]1Cc1cncc(-c2ccc(F)cc2F)c1 ZINC000037279091 563908022 /nfs/dbraw/zinc/90/80/22/563908022.db2.gz AZIRADRKBPJMLC-CYBMUJFWSA-N 1 0 302.368 4.401 50 0 DIAARO CC[C@@H](C)[C@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1 ZINC000002168038 563915623 /nfs/dbraw/zinc/91/56/23/563915623.db2.gz YHOBTARVXRPKOX-AEFFLSMTSA-N 1 0 305.462 4.091 50 0 DIAARO C[C@@H]1CCCC[N@@H+]1Cc1cncc(-c2cc(F)ccc2F)c1 ZINC000037553752 563918829 /nfs/dbraw/zinc/91/88/29/563918829.db2.gz XQGJIEFXTDDXEG-CYBMUJFWSA-N 1 0 302.368 4.401 50 0 DIAARO Clc1ccc(OCC[n+]2cccc(-c3ccccc3)c2)cc1 ZINC000007760995 563918936 /nfs/dbraw/zinc/91/89/36/563918936.db2.gz AVSRKUHAUNYYTN-UHFFFAOYSA-N 1 0 310.804 4.374 50 0 DIAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007811086 563919951 /nfs/dbraw/zinc/91/99/51/563919951.db2.gz FSIXEABZFZUHLX-XHSDSOJGSA-N 1 0 310.441 4.145 50 0 DIAARO C[N@H+](Cc1ccc(Br)c(F)c1)C1CCCCC1 ZINC000230550814 563920647 /nfs/dbraw/zinc/92/06/47/563920647.db2.gz UQYZMIAFAVAJNS-UHFFFAOYSA-N 1 0 300.215 4.353 50 0 DIAARO c1ccc([C@H](CC2CCC2)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161831955 563921073 /nfs/dbraw/zinc/92/10/73/563921073.db2.gz QPCLSIABHYGHAB-IBGZPJMESA-N 1 0 315.457 4.193 50 0 DIAARO CCC(=O)CCC[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000253426910 563925259 /nfs/dbraw/zinc/92/52/59/563925259.db2.gz BXRDDCMETGIKGX-UHFFFAOYSA-N 1 0 305.443 4.411 50 0 DIAARO C[C@@H]([NH3+])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253498072 563926437 /nfs/dbraw/zinc/92/64/37/563926437.db2.gz FLEBIYNUTZNISZ-KPQBVKGJSA-N 1 0 317.517 4.274 50 0 DIAARO C[C@@H]([NH2+]C(C)(C)CNCc1ccc(F)c(F)c1)c1ccccc1 ZINC000078725113 563929888 /nfs/dbraw/zinc/92/98/88/563929888.db2.gz UNJWPUXDTAJSNN-CQSZACIVSA-N 1 0 318.411 4.184 50 0 DIAARO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1C ZINC000095350737 563931215 /nfs/dbraw/zinc/93/12/15/563931215.db2.gz TXUWQXBBBXRWSF-LJQANCHMSA-N 1 0 310.441 4.480 50 0 DIAARO C[C@@]1([NH2+]Cc2cnn(-c3ccccc3)c2)CCCc2ccccc21 ZINC000095953326 563932397 /nfs/dbraw/zinc/93/23/97/563932397.db2.gz OWWSDWWPMJJZRC-OAQYLSRUSA-N 1 0 317.436 4.214 50 0 DIAARO COc1cccc2c1CC[C@@H]2[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000095968578 563933068 /nfs/dbraw/zinc/93/30/68/563933068.db2.gz GNKQOTINDNRGAV-RDJZCZTQSA-N 1 0 314.454 4.188 50 0 DIAARO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000095968433 563933170 /nfs/dbraw/zinc/93/31/70/563933170.db2.gz HRAAAVFWZYJICW-YOEHRIQHSA-N 1 0 312.413 4.045 50 0 DIAARO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000095982499 563933971 /nfs/dbraw/zinc/93/39/71/563933971.db2.gz QGDBJGYOYCBOIP-CQSZACIVSA-N 1 0 309.369 4.055 50 0 DIAARO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc2ccccc21 ZINC000095983776 563933988 /nfs/dbraw/zinc/93/39/88/563933988.db2.gz DROFNNIBRNZWOO-RDJZCZTQSA-N 1 0 311.425 4.176 50 0 DIAARO CCC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccccn1 ZINC000095980741 563933991 /nfs/dbraw/zinc/93/39/91/563933991.db2.gz KRUHQHKDTUHBQG-YLJYHZDGSA-N 1 0 309.457 4.181 50 0 DIAARO CCCn1c(C)nnc1CN[C@H](C)c1ccc2ccccc2c1 ZINC000095984199 563934013 /nfs/dbraw/zinc/93/40/13/563934013.db2.gz DUMCLJLYMZJEKF-CQSZACIVSA-N 1 0 308.429 4.001 50 0 DIAARO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cn2)C(C)C)C12CCCC2 ZINC000095996351 563934482 /nfs/dbraw/zinc/93/44/82/563934482.db2.gz NIKGFOWOLQIATJ-RCCFBDPRSA-N 1 0 320.452 4.245 50 0 DIAARO C[C@H](CCCC[NH+](C)C)OC(=O)c1cc2ccccc2s1 ZINC000096004157 563934568 /nfs/dbraw/zinc/93/45/68/563934568.db2.gz DKPGPWDJPMASKD-CYBMUJFWSA-N 1 0 305.443 4.179 50 0 DIAARO CC[C@@H]1C[C@H](C[N@@H+]2CCCCC[C@@H]2c2ccncc2)CCO1 ZINC000096003241 563934684 /nfs/dbraw/zinc/93/46/84/563934684.db2.gz GYZBBVXEBJAFNE-BHIYHBOVSA-N 1 0 302.462 4.204 50 0 DIAARO O=C(OC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000096026381 563935070 /nfs/dbraw/zinc/93/50/70/563935070.db2.gz SUZFXTWUYXOXCK-LJQANCHMSA-N 1 0 309.409 4.071 50 0 DIAARO CC[NH+](CC)C[C@H](OC(=O)Nc1ccccc1)c1ccccc1 ZINC000096026585 563935193 /nfs/dbraw/zinc/93/51/93/563935193.db2.gz ZHQISMFUAVSTTO-SFHVURJKSA-N 1 0 312.413 4.318 50 0 DIAARO Cc1ccc(OCCCC[NH2+]C[C@H]2CCCO2)c(C(C)(C)C)c1 ZINC000003247025 563943159 /nfs/dbraw/zinc/94/31/59/563943159.db2.gz 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ZINC000003003178 1039065166 /nfs/dbraw/zinc/06/51/66/1039065166.db2.gz YCEKXMFGYKWKGW-UHFFFAOYSA-N 1 0 311.425 4.130 50 0 DIAARO COc1cccc(Oc2ncccc2C[NH2+][C@H](C)C2CCC2)c1 ZINC000178738762 1039084666 /nfs/dbraw/zinc/08/46/66/1039084666.db2.gz QWMCRMJUWJFYJG-CQSZACIVSA-N 1 0 312.413 4.161 50 0 DIAARO CC1(C)C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CCO1 ZINC000161736011 1039343288 /nfs/dbraw/zinc/34/32/88/1039343288.db2.gz KUOLKNMYSIGDOI-AWEZNQCLSA-N 1 0 301.386 4.119 50 0 DIAARO C(C[C@@H]1CCOC2(CC[NH+](C3CCCC3)CC2)C1)OCC1CC1 ZINC000581810795 1041580921 /nfs/dbraw/zinc/58/09/21/1041580921.db2.gz ADPZEVOUQKNJFI-QGZVFWFLSA-N 1 0 321.505 4.007 50 0 DIAARO CC[C@@H]1CN(Cc2ccc(O)cc2)Cc2ccc(Cl)cc2O1 ZINC000299785036 1041825230 /nfs/dbraw/zinc/82/52/30/1041825230.db2.gz LSULNUWIYTVQET-QGZVFWFLSA-N 1 0 317.816 4.219 50 0 DIAARO C[C@@H]1CC([NH2+][C@H](CC2CCCCC2)c2ncccn2)C[C@@H](C)O1 ZINC000108372922 1041914372 /nfs/dbraw/zinc/91/43/72/1041914372.db2.gz FUGGCXDPELKHPD-IIDMSEBBSA-N 1 0 317.477 4.034 50 0 DIAARO COc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1O ZINC000048354212 1041991655 /nfs/dbraw/zinc/99/16/55/1041991655.db2.gz FHFWJEQLRKLLCM-UHFFFAOYSA-N 1 0 319.404 4.280 50 0 DIAARO COc1ccc(CC[NH2+]Cc2cccc(F)c2)c2ccccc12 ZINC000888096242 1042263280 /nfs/dbraw/zinc/26/32/80/1042263280.db2.gz OKYRZFJKLJOBOA-UHFFFAOYSA-N 1 0 309.384 4.320 50 0 DIAARO Cc1ccn2c(c1)nc(-c1ccc(Cl)c(C)c1)c2C[NH+](C)C ZINC000031933062 1042970864 /nfs/dbraw/zinc/97/08/64/1042970864.db2.gz JVRYKIFWQHMXLM-UHFFFAOYSA-N 1 0 313.832 4.333 50 0 DIAARO CC(C)c1ccc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013153588 1043801709 /nfs/dbraw/zinc/80/17/09/1043801709.db2.gz LGVLGDFURSCELP-CALCHBBNSA-N 1 0 305.462 4.078 50 0 DIAARO C[C@H](c1ccncn1)N(C)Cc1ccc(C2CCCC2)s1 ZINC000216028509 1044544538 /nfs/dbraw/zinc/54/45/38/1044544538.db2.gz HRWMJUHIOHVCGK-CYBMUJFWSA-N 1 0 301.459 4.389 50 0 DIAARO C[C@@H](c1ccncn1)N(C)Cc1ccc(C2CCCC2)s1 ZINC000216028470 1044545146 /nfs/dbraw/zinc/54/51/46/1044545146.db2.gz HRWMJUHIOHVCGK-ZDUSSCGKSA-N 1 0 301.459 4.389 50 0 DIAARO COc1ccc(C)cc1CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000025638986 1044549483 /nfs/dbraw/zinc/54/94/83/1044549483.db2.gz ORDRLUNLRBBAFZ-UHFFFAOYSA-N 1 0 323.358 4.355 50 0 DIAARO Cc1ncsc1C[NH2+][C@@H](Cc1ccccc1C)c1ccco1 ZINC000863984317 1045244446 /nfs/dbraw/zinc/24/44/46/1045244446.db2.gz SIFDWWXUBWAPPZ-INIZCTEOSA-N 1 0 312.438 4.427 50 0 DIAARO Fc1ccccc1CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000621436168 1046259284 /nfs/dbraw/zinc/25/92/84/1046259284.db2.gz JDEJKPIDESTDOZ-PMACEKPBSA-N 1 0 316.464 4.055 50 0 DIAARO Cc1ncc([C@H](C)[NH2+]Cc2ccccc2OC2CCC2)s1 ZINC000090028176 1046332767 /nfs/dbraw/zinc/33/27/67/1046332767.db2.gz JMSVQTSEVCUTCF-LBPRGKRZSA-N 1 0 302.443 4.234 50 0 DIAARO OCc1ccc(Oc2cccc(C[NH+]3CCCC3)c2Cl)cc1 ZINC000067756203 1046947575 /nfs/dbraw/zinc/94/75/75/1046947575.db2.gz WGFCPUBFNWUXSV-UHFFFAOYSA-N 1 0 317.816 4.220 50 0 DIAARO CCC[C@@H]1CCC[N@@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067695343 1047271458 /nfs/dbraw/zinc/27/14/58/1047271458.db2.gz ZJCPQULYTBMGRZ-GOSISDBHSA-N 1 0 320.440 4.161 50 0 DIAARO Clc1cccc(N2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000000757031 1047373321 /nfs/dbraw/zinc/37/33/21/1047373321.db2.gz LJDXYTBGUJEQSY-UHFFFAOYSA-N 1 0 314.860 4.095 50 0 DIAARO CCC(CC)(CO)C[N@H+](C)Cc1cccc(F)c1C(F)(F)F ZINC001506430874 1047599183 /nfs/dbraw/zinc/59/91/83/1047599183.db2.gz YVQBGCQZVBUMJK-UHFFFAOYSA-N 1 0 321.358 4.075 50 0 DIAARO C[C@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1ccnn1C ZINC000192777444 1051011073 /nfs/dbraw/zinc/01/10/73/1051011073.db2.gz CAEQASJGKOTNQZ-HNNXBMFYSA-N 1 0 307.397 4.063 50 0 DIAARO FC(F)COc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000192980500 1051013131 /nfs/dbraw/zinc/01/31/31/1051013131.db2.gz XZOJXMCYDIQQKM-OAHLLOKOSA-N 1 0 307.340 4.091 50 0 DIAARO CCn1cc(C[N@H+](CC)Cc2cccc(-c3ccco3)c2)cn1 ZINC000952868074 1051120953 /nfs/dbraw/zinc/12/09/53/1051120953.db2.gz XSQZVUVXBWKKGG-UHFFFAOYSA-N 1 0 309.413 4.185 50 0 DIAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@@H](c2cccc(C)c2)C1 ZINC000952964354 1051122874 /nfs/dbraw/zinc/12/28/74/1051122874.db2.gz NPUVPOJPEZNIHO-QGZVFWFLSA-N 1 0 311.425 4.089 50 0 DIAARO Clc1ccc(CSCCC[NH2+][C@H]2CCSC2)cc1 ZINC000952970596 1051123238 /nfs/dbraw/zinc/12/32/38/1051123238.db2.gz ANBVYYRMHJEURH-AWEZNQCLSA-N 1 0 301.908 4.058 50 0 DIAARO Cc1ccc(N2CCC([NH2+][C@H](C)CCC(C)(C)C)CC2)nc1 ZINC000952963076 1051123792 /nfs/dbraw/zinc/12/37/92/1051123792.db2.gz SGVBPYFDHGYARK-MRXNPFEDSA-N 1 0 303.494 4.163 50 0 DIAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1cc(C)ccc1-n1cccn1 ZINC000952978660 1051123971 /nfs/dbraw/zinc/12/39/71/1051123971.db2.gz YXVGYOMEPFBXKR-IBGZPJMESA-N 1 0 320.440 4.159 50 0 DIAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000952974507 1051124019 /nfs/dbraw/zinc/12/40/19/1051124019.db2.gz DAQCTZSGZRXOHH-UHFFFAOYSA-N 1 0 323.465 4.188 50 0 DIAARO Cc1cccc(Cl)c1C[NH2+]CCCn1ccnc1C(C)C ZINC000952980188 1051126119 /nfs/dbraw/zinc/12/61/19/1051126119.db2.gz VVTQIHCSEIVVAG-UHFFFAOYSA-N 1 0 305.853 4.148 50 0 DIAARO Fc1ccc([C@@H](CC[NH2+]Cc2ccccn2)c2ccco2)cc1 ZINC000952987883 1051126884 /nfs/dbraw/zinc/12/68/84/1051126884.db2.gz HHUATIZLESVVDK-GOSISDBHSA-N 1 0 310.372 4.126 50 0 DIAARO Cc1ccc(C[N@@H+]2CCC[C@H](n3c(C)cnc3C3CC3)C2)s1 ZINC000581806778 1051319052 /nfs/dbraw/zinc/31/90/52/1051319052.db2.gz XUDMSFHUOQGBRO-INIZCTEOSA-N 1 0 315.486 4.276 50 0 DIAARO CC(=O)N1c2ccccc2C[C@H]([NH+]2CCCCC2)c2ccccc21 ZINC000005480927 1051352009 /nfs/dbraw/zinc/35/20/09/1051352009.db2.gz LGRLWLTYDLWDCA-NRFANRHFSA-N 1 0 320.436 4.454 50 0 DIAARO Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)o1 ZINC000678721461 1052618693 /nfs/dbraw/zinc/61/86/93/1052618693.db2.gz HICULKUAZWPVBP-GJZGRUSLSA-N 1 0 324.428 4.108 50 0 DIAARO CC[C@H](C)C[N@@H+]1CCOc2ccc([C@@H](O)CC(C)C)cc2C1 ZINC000011910590 1056831468 /nfs/dbraw/zinc/83/14/68/1056831468.db2.gz GFIHLSCKPHFVKK-YJBOKZPZSA-N 1 0 305.462 4.007 50 0 DIAARO c1coc(C[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)c1 ZINC000012129767 1056978420 /nfs/dbraw/zinc/97/84/20/1056978420.db2.gz VPICOFPPACBFLP-HXUWFJFHSA-N 1 0 305.377 4.416 50 0 DIAARO Cc1cccc(C[N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)n1 ZINC000012305356 1057018800 /nfs/dbraw/zinc/01/88/00/1057018800.db2.gz PJKOXLXTLPTDBD-FQEVSTJZSA-N 1 0 309.457 4.083 50 0 DIAARO CCCSc1ccc(NC(=O)[C@@H]2CCCCC[N@@H+]2C)cc1 ZINC000822995959 1057817144 /nfs/dbraw/zinc/81/71/44/1057817144.db2.gz AZOHDDAWACRJDJ-INIZCTEOSA-N 1 0 306.475 4.002 50 0 DIAARO COc1ccc(-c2cc(C)cc(C[NH+]3CCCC3)c2)cc1OC ZINC001506400643 1063506573 /nfs/dbraw/zinc/50/65/73/1063506573.db2.gz FPBCHKRTCYFJTK-UHFFFAOYSA-N 1 0 311.425 4.275 50 0 DIAARO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccs3)CC2)cc1 ZINC001506407469 1063507360 /nfs/dbraw/zinc/50/73/60/1063507360.db2.gz WKHINGLYLBKLMQ-HNNXBMFYSA-N 1 0 300.471 4.376 50 0 DIAARO Brc1ccc(C2([NH2+]Cc3ccccn3)CCC2)cc1 ZINC000078979885 185139644 /nfs/dbraw/zinc/13/96/44/185139644.db2.gz FWYBSYGGBLEEQX-UHFFFAOYSA-N 1 0 317.230 4.013 50 0 DIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CSc3ccccc32)c1 ZINC000095419642 185360155 /nfs/dbraw/zinc/36/01/55/185360155.db2.gz ULRGCDJWYHJUOE-PXAZEXFGSA-N 1 0 312.438 4.143 50 0 DIAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CSc3ccccc32)c1 ZINC000095419641 185360286 /nfs/dbraw/zinc/36/02/86/185360286.db2.gz ULRGCDJWYHJUOE-SJCJKPOMSA-N 1 0 312.438 4.143 50 0 DIAARO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000095422132 185360838 /nfs/dbraw/zinc/36/08/38/185360838.db2.gz GFPHFTNCCLGADE-JTQLQIEISA-N 1 0 312.335 4.204 50 0 DIAARO CC(C)[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccn1 ZINC000095437380 185365594 /nfs/dbraw/zinc/36/55/94/185365594.db2.gz LMPVAGMMIDOACK-MRXNPFEDSA-N 1 0 324.346 4.309 50 0 DIAARO O[C@@H](C[NH2+][C@H](c1ccccc1)C1CCCCC1)c1ccncc1 ZINC000095462854 185371104 /nfs/dbraw/zinc/37/11/04/185371104.db2.gz IBEIWNMJNNKDNT-VQTJNVASSA-N 1 0 310.441 4.026 50 0 DIAARO Cc1cccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000097013478 185397146 /nfs/dbraw/zinc/39/71/46/185397146.db2.gz PEIPKNVWJJCLEY-LJQANCHMSA-N 1 0 305.425 4.219 50 0 DIAARO CN(C)C(=O)c1cccc(C[NH+](C2CCCC2)C2CCCC2)c1 ZINC000095469704 185372449 /nfs/dbraw/zinc/37/24/49/185372449.db2.gz WLZIXAYMKRHDNJ-UHFFFAOYSA-N 1 0 314.473 4.076 50 0 DIAARO Cc1ccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)c(C)n1 ZINC000072120668 191041028 /nfs/dbraw/zinc/04/10/28/191041028.db2.gz BBFKMPBVJPAGMW-GOSISDBHSA-N 1 0 310.441 4.146 50 0 DIAARO Cc1c2cc(C)ccc2oc1C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000072133501 191044877 /nfs/dbraw/zinc/04/48/77/191044877.db2.gz CLDIPBSGDSYXDI-QGZVFWFLSA-N 1 0 323.440 4.158 50 0 DIAARO c1c2ccccc2oc1C[N@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000072146580 191052551 /nfs/dbraw/zinc/05/25/51/191052551.db2.gz SPPTXLODRYQZNH-SFHVURJKSA-N 1 0 322.408 4.009 50 0 DIAARO c1csc(C2([NH2+]CCSc3ccccc3)CCCC2)n1 ZINC000072308880 191118437 /nfs/dbraw/zinc/11/84/37/191118437.db2.gz KJVHTUYNEDZEJF-UHFFFAOYSA-N 1 0 304.484 4.294 50 0 DIAARO FC(F)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000072311935 191119547 /nfs/dbraw/zinc/11/95/47/191119547.db2.gz QCCXZFQUMZGMEA-INIZCTEOSA-N 1 0 304.340 4.020 50 0 DIAARO O=C(CCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000072434386 191166778 /nfs/dbraw/zinc/16/67/78/191166778.db2.gz SNWUDLOAKLDHSR-GOSISDBHSA-N 1 0 313.466 4.162 50 0 DIAARO CC[C@@H](C)[NH2+]CCOCCOc1ccccc1-c1ccccc1 ZINC000002825308 180961593 /nfs/dbraw/zinc/96/15/93/180961593.db2.gz MHRGHFADWRHYKY-QGZVFWFLSA-N 1 0 313.441 4.137 50 0 DIAARO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000003291322 181000977 /nfs/dbraw/zinc/00/09/77/181000977.db2.gz YQCSRUWKEYPQOD-CQSZACIVSA-N 1 0 323.440 4.141 50 0 DIAARO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000003330403 181006811 /nfs/dbraw/zinc/00/68/11/181006811.db2.gz CWNSKOREBJHEAL-SFHVURJKSA-N 1 0 312.388 4.038 50 0 DIAARO CCCC[NH2+]CCOc1ccc2ccccc2c1Br ZINC000003461857 181023420 /nfs/dbraw/zinc/02/34/20/181023420.db2.gz NBWISKOSYQOLLD-UHFFFAOYSA-N 1 0 322.246 4.371 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](C)C3)c2cc1C(C)C ZINC000003564910 181035413 /nfs/dbraw/zinc/03/54/13/181035413.db2.gz KTQGQNMNTFOSRE-CQSZACIVSA-N 1 0 313.441 4.457 50 0 DIAARO Cc1nc(Cn2c(C)[n+](-c3ccccc3)c3ccccc32)cs1 ZINC000004530010 181119906 /nfs/dbraw/zinc/11/99/06/181119906.db2.gz GQMZACBBDDIQKO-UHFFFAOYSA-N 1 0 320.441 4.040 50 0 DIAARO C[C@H]1[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)[C@H](C)C1(C)O ZINC000004555396 181124120 /nfs/dbraw/zinc/12/41/20/181124120.db2.gz XDCSRNLDRQBFAD-FVCZOJIISA-N 1 0 309.453 4.438 50 0 DIAARO CCC(=O)O[C@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@H+](C)[C@@H]1C ZINC000004594130 181127950 /nfs/dbraw/zinc/12/79/50/181127950.db2.gz HXMYADUYVHAIOZ-OXFYSEKESA-N 1 0 317.473 4.221 50 0 DIAARO CC[NH+](CC)CCCN(Cc1ccc(C)o1)Cc1ccc(C)o1 ZINC000004699225 181138873 /nfs/dbraw/zinc/13/88/73/181138873.db2.gz CEGNVVBQHXHNIS-UHFFFAOYSA-N 1 0 318.461 4.224 50 0 DIAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccc(F)cc1 ZINC000004678472 181135120 /nfs/dbraw/zinc/13/51/20/181135120.db2.gz JFCCWSMWTVYHJD-UHFFFAOYSA-N 1 0 315.779 4.492 50 0 DIAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1ccc(F)cc1 ZINC000004678320 181135381 /nfs/dbraw/zinc/13/53/81/181135381.db2.gz SVRRYOJSSGAOSV-UHFFFAOYSA-N 1 0 315.779 4.492 50 0 DIAARO CCc1ccc(CNc2[nH+]cc(-c3cccc(OC)c3)n2C)cc1 ZINC000004678480 181135493 /nfs/dbraw/zinc/13/54/93/181135493.db2.gz LJLFVKAMTHSBKV-UHFFFAOYSA-N 1 0 321.424 4.270 50 0 DIAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cccc(F)c1 ZINC000004678442 181135560 /nfs/dbraw/zinc/13/55/60/181135560.db2.gz YCTYDLJCPHNOKB-UHFFFAOYSA-N 1 0 315.779 4.492 50 0 DIAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccccc1F ZINC000004678697 181135956 /nfs/dbraw/zinc/13/59/56/181135956.db2.gz AKIOMCPRVZVARL-UHFFFAOYSA-N 1 0 315.779 4.492 50 0 DIAARO c1coc(C[NH2+]CCOc2ccccc2OCc2ccccc2)c1 ZINC000004869826 181166482 /nfs/dbraw/zinc/16/64/82/181166482.db2.gz ITJZTQUKPBYIIB-UHFFFAOYSA-N 1 0 323.392 4.027 50 0 DIAARO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1C ZINC000004982446 181183898 /nfs/dbraw/zinc/18/38/98/181183898.db2.gz OLHBVBGDBJXXQT-LJQANCHMSA-N 1 0 310.441 4.434 50 0 DIAARO c1ccc(CN2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000004989431 181185754 /nfs/dbraw/zinc/18/57/54/181185754.db2.gz OHIOJDQZFQIQEA-JOCHJYFZSA-N 1 0 320.480 4.318 50 0 DIAARO C[NH2+][C@@H](C)Cc1ccccc1Sc1ccc(OC)c(OC)c1 ZINC000005368255 181235446 /nfs/dbraw/zinc/23/54/46/181235446.db2.gz LPUQKAJQMWABRE-ZDUSSCGKSA-N 1 0 317.454 4.005 50 0 DIAARO CCCCOC(=O)CSc1sc2ccccc2[n+]1CCC ZINC000005590940 181261210 /nfs/dbraw/zinc/26/12/10/181261210.db2.gz VMOLOPLVHZCALC-UHFFFAOYSA-N 1 0 324.491 4.034 50 0 DIAARO C[C@H]([NH2+]CC1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000237540174 202276955 /nfs/dbraw/zinc/27/69/55/202276955.db2.gz GGISHNHSLFJGBV-HNNXBMFYSA-N 1 0 300.446 4.044 50 0 DIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1F ZINC000005998255 181304399 /nfs/dbraw/zinc/30/43/99/181304399.db2.gz LSMKNDYTYPFIJH-UHFFFAOYSA-N 1 0 312.388 4.064 50 0 DIAARO C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000194525298 201244797 /nfs/dbraw/zinc/24/47/97/201244797.db2.gz GQRGWLSLRWXXHQ-QZTJIDSGSA-N 1 0 323.484 4.000 50 0 DIAARO Cc1cc2oc(=O)cc(C[NH2+][C@@H]3CCCC[C@@H]3C)c2cc1Cl ZINC000006552421 181353021 /nfs/dbraw/zinc/35/30/21/181353021.db2.gz KFVKPVKLMZZWSZ-MEDUHNTESA-N 1 0 319.832 4.423 50 0 DIAARO Cc1c(C)n(-c2cc[nH+]cc2)c2ncnc(NC3CCCCC3)c12 ZINC000006660426 181366631 /nfs/dbraw/zinc/36/66/31/181366631.db2.gz ZDIDGZCPPXBMKI-UHFFFAOYSA-N 1 0 321.428 4.177 50 0 DIAARO CCO[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C12CCC2 ZINC000095991293 193481695 /nfs/dbraw/zinc/48/16/95/193481695.db2.gz HJBOLBKDYODKDQ-XAWIXRBMSA-N 1 0 303.421 4.009 50 0 DIAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000008325960 181547737 /nfs/dbraw/zinc/54/77/37/181547737.db2.gz WMDAFSNOHFWOQO-CQSZACIVSA-N 1 0 317.404 4.301 50 0 DIAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000015837029 182020681 /nfs/dbraw/zinc/02/06/81/182020681.db2.gz FOFSOPIJPNWAOZ-FQEVSTJZSA-N 1 0 311.425 4.431 50 0 DIAARO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000016606846 182053369 /nfs/dbraw/zinc/05/33/69/182053369.db2.gz SKQYXGOAMXHCRF-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO Cc1ccc(-c2c[n+](Cc3cccc(Cl)c3)c3n2CCC3)cc1 ZINC000017206247 182080207 /nfs/dbraw/zinc/08/02/07/182080207.db2.gz GISIYNAFXBOWDC-UHFFFAOYSA-N 1 0 323.847 4.399 50 0 DIAARO C[C@@H](C[N@@H+]1CCC[C@@H](c2ccccc2)C1)n1cnc2ccccc21 ZINC000019112193 182104526 /nfs/dbraw/zinc/10/45/26/182104526.db2.gz QFKDUXSSMSKSKN-PKOBYXMFSA-N 1 0 319.452 4.477 50 0 DIAARO C(=C/c1ccccc1)\CN1CC[NH+](C[C@H]2CC23CCCCC3)CC1 ZINC000019229393 182108827 /nfs/dbraw/zinc/10/88/27/182108827.db2.gz RNBKELRELRUYJD-TYOLEZHBSA-N 1 0 324.512 4.288 50 0 DIAARO c1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019536236 182129652 /nfs/dbraw/zinc/12/96/52/182129652.db2.gz HIZIGRVGOMXQPT-UHFFFAOYSA-N 1 0 316.448 4.158 50 0 DIAARO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OC ZINC000019691022 182136428 /nfs/dbraw/zinc/13/64/28/182136428.db2.gz QZKPIAGMBXEKTG-UHFFFAOYSA-N 1 0 319.832 4.080 50 0 DIAARO COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019720470 182138571 /nfs/dbraw/zinc/13/85/71/182138571.db2.gz FRPRWTVXNNBDEH-UHFFFAOYSA-N 1 0 310.224 4.334 50 0 DIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2cccc(F)c2)cc1C ZINC000019732073 182138952 /nfs/dbraw/zinc/13/89/52/182138952.db2.gz WYNCFPUAGAGRQI-UHFFFAOYSA-N 1 0 323.415 4.165 50 0 DIAARO COc1ccc(C[C@@H]([NH2+]Cc2ccco2)c2ccccc2)cc1 ZINC000019735219 182139743 /nfs/dbraw/zinc/13/97/43/182139743.db2.gz CVAZQOJFGUFCAC-HXUWFJFHSA-N 1 0 307.393 4.362 50 0 DIAARO Cc1cc2c(cc1C)[C@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000019735369 182139775 /nfs/dbraw/zinc/13/97/75/182139775.db2.gz MTYGNMQSSCQVBJ-KRWDZBQOSA-N 1 0 316.242 4.301 50 0 DIAARO COc1ccc(C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000019609027 182133472 /nfs/dbraw/zinc/13/34/72/182133472.db2.gz DKCKLAZNJBLYIJ-ZDUSSCGKSA-N 1 0 323.358 4.435 50 0 DIAARO COc1ccc(CC[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000019643029 182134322 /nfs/dbraw/zinc/13/43/22/182134322.db2.gz RIXKYYVFDVLKRQ-UHFFFAOYSA-N 1 0 309.331 4.046 50 0 DIAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000019788357 182149156 /nfs/dbraw/zinc/14/91/56/182149156.db2.gz AORKJOSATZXBRX-WBVHZDCISA-N 1 0 306.881 4.036 50 0 DIAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000019788355 182149284 /nfs/dbraw/zinc/14/92/84/182149284.db2.gz AORKJOSATZXBRX-DOTOQJQBSA-N 1 0 306.881 4.036 50 0 DIAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000019908981 182163043 /nfs/dbraw/zinc/16/30/43/182163043.db2.gz JUKAFDSJLWIQNQ-LBPRGKRZSA-N 1 0 320.230 4.309 50 0 DIAARO O[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000019944854 182168814 /nfs/dbraw/zinc/16/88/14/182168814.db2.gz KKJGAZRIFJEPKA-LEWJYISDSA-N 1 0 303.405 4.251 50 0 DIAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)cc1 ZINC000019957872 182170197 /nfs/dbraw/zinc/17/01/97/182170197.db2.gz BEIYDKMKDJZYSU-KRWDZBQOSA-N 1 0 312.800 4.065 50 0 DIAARO Cc1ccsc1-c1cccc(-c2ccn(C[C@H]3CC[NH2+]C3)n2)c1 ZINC000020916582 182253675 /nfs/dbraw/zinc/25/36/75/182253675.db2.gz QXHZRKBANDRKMG-HNNXBMFYSA-N 1 0 323.465 4.197 50 0 DIAARO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)cc(OC)c1 ZINC000021789632 182288950 /nfs/dbraw/zinc/28/89/50/182288950.db2.gz AEFREVAQGMOMKV-GFCCVEGCSA-N 1 0 305.805 4.208 50 0 DIAARO CCN(CC)CC[N@H+](CC)C1CCC(c2ccccc2)CC1 ZINC000022027382 182304851 /nfs/dbraw/zinc/30/48/51/182304851.db2.gz YHJHAUCEPJCWQN-UHFFFAOYSA-N 1 0 302.506 4.377 50 0 DIAARO C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000022197565 182312914 /nfs/dbraw/zinc/31/29/14/182312914.db2.gz JJIALZFMWMVORD-UHFFFAOYSA-N 1 0 310.441 4.433 50 0 DIAARO CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CCC(C(C)(C)C)CC2)C1 ZINC000023283396 182356654 /nfs/dbraw/zinc/35/66/54/182356654.db2.gz VSEDVSKIPIJAEK-AOCRQIFASA-N 1 0 322.537 4.172 50 0 DIAARO CCCc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)sc1C ZINC000029787333 182577035 /nfs/dbraw/zinc/57/70/35/182577035.db2.gz MJRAKQWEDDUCEV-UHFFFAOYSA-N 1 0 322.518 4.048 50 0 DIAARO CCN(CC)c1ccc(/[NH+]=c2/ccc3ccccc3n2C)cc1 ZINC000100291860 193798031 /nfs/dbraw/zinc/79/80/31/193798031.db2.gz HLPUDLBXGYNXNL-MRCUWXFGSA-N 1 0 305.425 4.257 50 0 DIAARO CC(C)(C)[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000040088639 183032884 /nfs/dbraw/zinc/03/28/84/183032884.db2.gz IBXLXTZKBHWQHL-IBGZPJMESA-N 1 0 311.425 4.335 50 0 DIAARO Cc1cc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c(C)c1Cl ZINC000042773703 183307197 /nfs/dbraw/zinc/30/71/97/183307197.db2.gz XHEDULLYAGTNIJ-LBPRGKRZSA-N 1 0 302.245 4.379 50 0 DIAARO c1ccc(COc2ccc(OCC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000042773032 183307207 /nfs/dbraw/zinc/30/72/07/183307207.db2.gz DGRXHNGMKCDUML-QGZVFWFLSA-N 1 0 311.425 4.034 50 0 DIAARO CC(C)(c1ccccc1)c1ccc(O[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775478 183307636 /nfs/dbraw/zinc/30/76/36/183307636.db2.gz IYKINRYPTWJTQZ-INIZCTEOSA-N 1 0 315.844 4.407 50 0 DIAARO Clc1ccc(OC[C@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042775497 183308073 /nfs/dbraw/zinc/30/80/73/183308073.db2.gz SKCVFTFHYPSOGS-AWEZNQCLSA-N 1 0 301.817 4.385 50 0 DIAARO CCC(CC)C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055211226 183971504 /nfs/dbraw/zinc/97/15/04/183971504.db2.gz FAKUYBZTYVBKEW-UHFFFAOYSA-N 1 0 304.482 4.009 50 0 DIAARO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000057645288 184043646 /nfs/dbraw/zinc/04/36/46/184043646.db2.gz FXMPMMFDAIYPRX-CQSZACIVSA-N 1 0 309.438 4.053 50 0 DIAARO CCCC[NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000057503895 184040446 /nfs/dbraw/zinc/04/04/46/184040446.db2.gz IKNJMIABBUCNKX-IBGZPJMESA-N 1 0 306.409 4.482 50 0 DIAARO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057525956 184041269 /nfs/dbraw/zinc/04/12/69/184041269.db2.gz JULPFVZFRKEUHA-LJQANCHMSA-N 1 0 304.393 4.188 50 0 DIAARO CCc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000057999858 184066236 /nfs/dbraw/zinc/06/62/36/184066236.db2.gz YJWOEFKJGYKMDQ-CYBMUJFWSA-N 1 0 316.832 4.019 50 0 DIAARO C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000057999942 184066307 /nfs/dbraw/zinc/06/63/07/184066307.db2.gz QOOMUXCSLYFMOF-HNNXBMFYSA-N 1 0 310.441 4.273 50 0 DIAARO Cc1ccc(C[N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000058122399 184077063 /nfs/dbraw/zinc/07/70/63/184077063.db2.gz WEUPTBBNWLQLAB-UHFFFAOYSA-N 1 0 321.420 4.350 50 0 DIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccccc1 ZINC000058152712 184081320 /nfs/dbraw/zinc/08/13/20/184081320.db2.gz MJQCRUHTDLGQFO-INIZCTEOSA-N 1 0 319.452 4.399 50 0 DIAARO c1csc(CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000058159791 184081991 /nfs/dbraw/zinc/08/19/91/184081991.db2.gz HMLRPJFTJCLUAV-AWEZNQCLSA-N 1 0 312.438 4.311 50 0 DIAARO FC(F)(F)c1cccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000059542704 184139456 /nfs/dbraw/zinc/13/94/56/184139456.db2.gz ODHZGSJONPTACX-KRWDZBQOSA-N 1 0 321.342 4.359 50 0 DIAARO CN(C)[C@H](C[NH2+]Cc1cccc2ccccc21)c1cccs1 ZINC000060828369 184156328 /nfs/dbraw/zinc/15/63/28/184156328.db2.gz WSRHGATZCHQSQN-GOSISDBHSA-N 1 0 310.466 4.294 50 0 DIAARO Cc1c(-c2ccccc2)ncn1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000065431014 184344402 /nfs/dbraw/zinc/34/44/02/184344402.db2.gz PKDJDDPHQVJOAA-GOSISDBHSA-N 1 0 321.424 4.289 50 0 DIAARO C[C@@H](c1cccc(-c2nccc(C(F)(F)F)n2)c1)[NH+]1CCCC1 ZINC000065500167 184355726 /nfs/dbraw/zinc/35/57/26/184355726.db2.gz NDMMOHBDSZSHLR-LBPRGKRZSA-N 1 0 321.346 4.319 50 0 DIAARO c1cnn(-c2ccc(C[N@@H+](Cc3ccsc3)C3CC3)cc2)c1 ZINC000065683367 184376291 /nfs/dbraw/zinc/37/62/91/184376291.db2.gz KLDKSLHPDJJOGF-UHFFFAOYSA-N 1 0 309.438 4.098 50 0 DIAARO Cc1ccc(-n2cc(C[NH+](C)C)c(-c3ccc(F)cc3)n2)cc1 ZINC000521398837 257234565 /nfs/dbraw/zinc/23/45/65/257234565.db2.gz ILOUJEJHFOXTHH-UHFFFAOYSA-N 1 0 309.388 4.048 50 0 DIAARO COc1ccc(C[NH2+][C@H]2C[C@H](C(C)C)O[C@H](C(C)C)C2)cc1 ZINC000524734240 257213643 /nfs/dbraw/zinc/21/36/43/257213643.db2.gz MGRPDMITEUROCW-GGPHIMKMSA-N 1 0 305.462 4.013 50 0 DIAARO Cc1cn2c(C[NH2+]CC(C)(C)c3ccccc3)c(C)nc2s1 ZINC000237887961 257237924 /nfs/dbraw/zinc/23/79/24/257237924.db2.gz PATKMDQMOXJCLH-UHFFFAOYSA-N 1 0 313.470 4.080 50 0 DIAARO CNC(=O)c1cccc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c1 ZINC000426552069 257247131 /nfs/dbraw/zinc/24/71/31/257247131.db2.gz VAAJTXPOCZNECE-MRXNPFEDSA-N 1 0 322.452 4.260 50 0 DIAARO Cc1c(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)cnn1C(F)F ZINC000426477716 257249426 /nfs/dbraw/zinc/24/94/26/257249426.db2.gz KGEVBVWMBGXZCG-LBPRGKRZSA-N 1 0 305.372 4.410 50 0 DIAARO C[C@@H](c1ccc(-c2cnc3ccc(F)cn32)cc1)[NH+]1CCCC1 ZINC000426396349 257252690 /nfs/dbraw/zinc/25/26/90/257252690.db2.gz DXPPUSHOOUIXNY-AWEZNQCLSA-N 1 0 309.388 4.297 50 0 DIAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2CO)cc1Cl ZINC000426387607 257252781 /nfs/dbraw/zinc/25/27/81/257252781.db2.gz GCRHNOYNGFSMDR-CQSZACIVSA-N 1 0 315.844 4.484 50 0 DIAARO COc1ccc(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000096981640 257253443 /nfs/dbraw/zinc/25/34/43/257253443.db2.gz GUVZYGWISZNWOE-NRFANRHFSA-N 1 0 318.420 4.012 50 0 DIAARO CC[C@@H]1C[C@@H](C[N@@H+]2CCCCC[C@H]2c2ccncc2)CCO1 ZINC000252511456 257257930 /nfs/dbraw/zinc/25/79/30/257257930.db2.gz GYZBBVXEBJAFNE-UHOSZYNNSA-N 1 0 302.462 4.204 50 0 DIAARO Cc1ccc(C)c(N2CC[NH+]([C@H](C)CCc3ccccc3)CC2)c1 ZINC000004981264 134467346 /nfs/dbraw/zinc/46/73/46/134467346.db2.gz APILLDVXAWYBIR-HXUWFJFHSA-N 1 0 322.496 4.447 50 0 DIAARO Cc1cccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000013325182 331541266 /nfs/dbraw/zinc/54/12/66/331541266.db2.gz MSQWKSOVYOIJSQ-UHFFFAOYSA-N 1 0 309.413 4.235 50 0 DIAARO Cc1ncc(CNCc2ccc(Oc3ccccc3)o2)s1 ZINC000097236038 337382399 /nfs/dbraw/zinc/38/23/99/337382399.db2.gz VCMDUMZGIAEPEP-UHFFFAOYSA-N 1 0 300.383 4.127 50 0 DIAARO CC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cccs1 ZINC000131325027 341076264 /nfs/dbraw/zinc/07/62/64/341076264.db2.gz HHZAYANILVDYNT-HNNXBMFYSA-N 1 0 302.443 4.173 50 0 DIAARO CC[NH+](CC)CCOC(=O)[C@@H](c1cccs1)[C@H]1C=CCCC1 ZINC000033648788 563725047 /nfs/dbraw/zinc/72/50/47/563725047.db2.gz KYNUPCMVBZSOJZ-DOTOQJQBSA-N 1 0 321.486 4.073 50 0 DIAARO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000000183652 563228711 /nfs/dbraw/zinc/22/87/11/563228711.db2.gz UKLQDVAMCDQMPL-SMDDNHRTSA-N 1 0 312.251 4.126 50 0 DIAARO CCC(=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001530706 563284694 /nfs/dbraw/zinc/28/46/94/563284694.db2.gz USSIQXCVUWKGNF-QGZVFWFLSA-N 1 0 309.453 4.292 50 0 fda DIAARO C[NH+](C)CCC[C@@](C)(O)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002187349 563301661 /nfs/dbraw/zinc/30/16/61/563301661.db2.gz VOSQYSATOBJONB-LEWJYISDSA-N 1 0 311.469 4.106 50 0 DIAARO O=C(c1cc(F)cc(F)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515533 563306271 /nfs/dbraw/zinc/30/62/71/563306271.db2.gz BLTFKBJMEPPAMA-UHFFFAOYSA-N 1 0 315.363 4.182 50 0 DIAARO Cc1ccc(OCCC[NH+]2CCCCC2)c(Br)c1 ZINC000003003064 563320540 /nfs/dbraw/zinc/32/05/40/563320540.db2.gz UJRDNFGECMCHET-UHFFFAOYSA-N 1 0 312.251 4.012 50 0 DIAARO CC1CC[NH+](CCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000003003296 563320637 /nfs/dbraw/zinc/32/06/37/563320637.db2.gz GVIMNFBJIFOIFP-UHFFFAOYSA-N 1 0 302.245 4.494 50 0 DIAARO c1ccc(CN2CCC([NH2+]C3CCCCCCC3)CC2)cc1 ZINC000002498979 563320891 /nfs/dbraw/zinc/32/08/91/563320891.db2.gz ZNTOAYGFPVNXQN-UHFFFAOYSA-N 1 0 300.490 4.354 50 0 DIAARO Cc1ccc(C)c(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000004980962 563328187 /nfs/dbraw/zinc/32/81/87/563328187.db2.gz YLRFFMNBUZIBIZ-UHFFFAOYSA-N 1 0 308.469 4.242 50 0 DIAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@H+]1CCCC[C@H]1C ZINC000008700851 563349142 /nfs/dbraw/zinc/34/91/42/563349142.db2.gz HHZMRPYWQIYNQQ-LLVKDONJSA-N 1 0 304.821 4.277 50 0 DIAARO CCOc1c(Cl)cc(C[NH2+]Cc2cccnc2)cc1Cl ZINC000010315530 563355836 /nfs/dbraw/zinc/35/58/36/563355836.db2.gz FUFYXUXETRUXRB-UHFFFAOYSA-N 1 0 311.212 4.077 50 0 DIAARO Cc1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010339141 563356238 /nfs/dbraw/zinc/35/62/38/563356238.db2.gz RZLJXJNIYLCBKE-UHFFFAOYSA-N 1 0 308.425 4.152 50 0 DIAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]C1CCC1 ZINC000011878433 563359885 /nfs/dbraw/zinc/35/98/85/563359885.db2.gz GRADRQHYPGGUCO-KRWDZBQOSA-N 1 0 309.457 4.336 50 0 DIAARO Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)s1 ZINC000012244703 563365202 /nfs/dbraw/zinc/36/52/02/563365202.db2.gz YCRYMKJIMDMTHY-HNNXBMFYSA-N 1 0 317.502 4.358 50 0 DIAARO Clc1cccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000012307619 563366551 /nfs/dbraw/zinc/36/65/51/563366551.db2.gz KGIAAEFPASUGCU-SFHVURJKSA-N 1 0 300.833 4.417 50 0 DIAARO CCc1ccc([C@H](CNc2nc3ccccc3o2)[NH+](C)C)cc1 ZINC000012973137 563375780 /nfs/dbraw/zinc/37/57/80/563375780.db2.gz UPPZUYFBQORQTJ-KRWDZBQOSA-N 1 0 309.413 4.105 50 0 DIAARO Cc1ccccc1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000032754449 563390771 /nfs/dbraw/zinc/39/07/71/563390771.db2.gz OHIOPSBDXSOSSA-OAHLLOKOSA-N 1 0 322.408 4.373 50 0 DIAARO Cc1ccccc1NC(=O)CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000032754450 563390860 /nfs/dbraw/zinc/39/08/60/563390860.db2.gz OHIOPSBDXSOSSA-HNNXBMFYSA-N 1 0 322.408 4.373 50 0 DIAARO C[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000032764862 563391354 /nfs/dbraw/zinc/39/13/54/563391354.db2.gz FQIBKMKEZUZHJW-MRXNPFEDSA-N 1 0 308.425 4.098 50 0 DIAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)CCC(C)C)cc1 ZINC000032833186 563400894 /nfs/dbraw/zinc/40/08/94/563400894.db2.gz DBSSCXDDGQWVPY-INIZCTEOSA-N 1 0 304.478 4.083 50 0 DIAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+]1CCCC[C@@H]1C ZINC000014960282 563404824 /nfs/dbraw/zinc/40/48/24/563404824.db2.gz PUNNBVBZFONNFY-NSHDSACASA-N 1 0 306.356 4.303 50 0 DIAARO Cc1c([C@H](C)[NH2+]Cc2ccccc2)cnn1-c1cccc(F)c1 ZINC000015072615 563406757 /nfs/dbraw/zinc/40/67/57/563406757.db2.gz FFJXXMRKEVMWQK-AWEZNQCLSA-N 1 0 309.388 4.171 50 0 DIAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000247011973 563418099 /nfs/dbraw/zinc/41/80/99/563418099.db2.gz UCEBJRYNJBAOGW-CJYSPXJISA-N 1 0 313.363 4.170 50 0 DIAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000247011948 563418442 /nfs/dbraw/zinc/41/84/42/563418442.db2.gz UCEBJRYNJBAOGW-BSLXNSKLSA-N 1 0 313.363 4.170 50 0 DIAARO c1ccc([C@@H]2C[N@@H+](CCc3ccncc3)Cc3ccccc32)cc1 ZINC000026098234 563424543 /nfs/dbraw/zinc/42/45/43/563424543.db2.gz AYRLMVVXRWWAIJ-QFIPXVFZSA-N 1 0 314.432 4.272 50 0 DIAARO CCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000027579692 563428203 /nfs/dbraw/zinc/42/82/03/563428203.db2.gz NTGGNBVYXLRSFT-INIZCTEOSA-N 1 0 310.869 4.029 50 0 DIAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C)cc2)C1 ZINC000072277764 563432270 /nfs/dbraw/zinc/43/22/70/563432270.db2.gz AUXCHQIYKFTVIE-MRXNPFEDSA-N 1 0 317.477 4.017 50 0 DIAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2sccc2C)cc1 ZINC000030640811 563437637 /nfs/dbraw/zinc/43/76/37/563437637.db2.gz GYTYJCOFHGOCIJ-CYBMUJFWSA-N 1 0 302.443 4.256 50 0 DIAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000033087100 563443957 /nfs/dbraw/zinc/44/39/57/563443957.db2.gz KZGCNJNHFOQXBK-GOSISDBHSA-N 1 0 317.864 4.499 50 0 DIAARO O[C@H]1CCCC[C@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001225618 563448265 /nfs/dbraw/zinc/44/82/65/563448265.db2.gz LXRYGMJORBWRRO-SFTDATJTSA-N 1 0 309.453 4.240 50 0 DIAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000022078287 563448981 /nfs/dbraw/zinc/44/89/81/563448981.db2.gz LNEOUCDXRBFVTR-UWJYYQICSA-N 1 0 322.452 4.147 50 0 DIAARO [NH3+]Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000034574091 563450654 /nfs/dbraw/zinc/45/06/54/563450654.db2.gz OBYNCDBAMUFKDA-UHFFFAOYSA-N 1 0 319.404 4.303 50 0 DIAARO FC(F)(F)CCC[N@@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000055183145 563472023 /nfs/dbraw/zinc/47/20/23/563472023.db2.gz VLKUXFMSEDWAHJ-ZDUSSCGKSA-N 1 0 307.381 4.072 50 0 DIAARO CCCC[N@H+](Cc1ccco1)Cc1cccn1-c1ccccn1 ZINC000055195572 563472603 /nfs/dbraw/zinc/47/26/03/563472603.db2.gz RQULIINLHSASFR-UHFFFAOYSA-N 1 0 309.413 4.268 50 0 DIAARO CCC[N@H+](Cc1ccc([C@@H]2CCCO2)s1)Cc1cccnc1 ZINC000055415053 563475424 /nfs/dbraw/zinc/47/54/24/563475424.db2.gz KOOVXJSMDOBDBP-KRWDZBQOSA-N 1 0 316.470 4.407 50 0 DIAARO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000055561876 563475997 /nfs/dbraw/zinc/47/59/97/563475997.db2.gz AIYYCTIRIUFLLA-UHFFFAOYSA-N 1 0 302.226 4.353 50 0 DIAARO CCOc1c(C[NH2+]Cc2cccs2)cc(Cl)cc1OC ZINC000055568531 563476125 /nfs/dbraw/zinc/47/61/25/563476125.db2.gz PMXWSWCZUXNODS-UHFFFAOYSA-N 1 0 311.834 4.099 50 0 DIAARO Fc1ccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000055542978 563476323 /nfs/dbraw/zinc/47/63/23/563476323.db2.gz WRRBUNNMSRQWQP-UHFFFAOYSA-N 1 0 320.411 4.301 50 0 DIAARO CCn1cc(C[N@@H+](Cc2c[nH]c3ccccc23)CC(C)C)cn1 ZINC000055576116 563476441 /nfs/dbraw/zinc/47/64/41/563476441.db2.gz KBRAFNAWOXIEIN-UHFFFAOYSA-N 1 0 310.445 4.043 50 0 DIAARO Cc1ccsc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055543299 563476530 /nfs/dbraw/zinc/47/65/30/563476530.db2.gz PZYURRJPJOLWOJ-UHFFFAOYSA-N 1 0 306.862 4.032 50 0 DIAARO Cc1nn(CN2CCCC[C@@H]2Cc2ccccc2)c(=S)s1 ZINC000058158621 563478551 /nfs/dbraw/zinc/47/85/51/563478551.db2.gz QDUURUOCEVLDIR-OAHLLOKOSA-N 1 0 319.499 4.037 50 0 DIAARO Cc1nnc([C@H](C)N(C)Cc2ccccc2-c2ccccc2)o1 ZINC000058341470 563478637 /nfs/dbraw/zinc/47/86/37/563478637.db2.gz WFVZAGZOJVDLOA-AWEZNQCLSA-N 1 0 307.397 4.238 50 0 DIAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2cnc(C)s2)cc1 ZINC000096485580 563485059 /nfs/dbraw/zinc/48/50/59/563485059.db2.gz WDCGXGQBNOFSSI-VXGBXAGGSA-N 1 0 317.458 4.212 50 0 DIAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000064666873 563486258 /nfs/dbraw/zinc/48/62/58/563486258.db2.gz PZCBJNSVMDRJHY-KRWDZBQOSA-N 1 0 300.402 4.109 50 0 DIAARO Cc1ccsc1C[N@@H+]1CCc2nc[nH]c2[C@H]1Cc1ccccc1 ZINC000067676352 563488862 /nfs/dbraw/zinc/48/88/62/563488862.db2.gz XSHIXCGMPMWBHJ-QGZVFWFLSA-N 1 0 323.465 4.122 50 0 DIAARO CC[C@H](C)[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C1CCCC1 ZINC000067896431 563493550 /nfs/dbraw/zinc/49/35/50/563493550.db2.gz MXZUYYGFCIPGMZ-ZDUSSCGKSA-N 1 0 316.420 4.210 50 0 DIAARO C[C@@]12CCCC(=O)[C@@H]1[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000068677139 563495559 /nfs/dbraw/zinc/49/55/59/563495559.db2.gz XCTUOBOQUJSQJX-PLACYPQZSA-N 1 0 305.421 4.448 50 0 DIAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1ccc2[nH]ccc2c1 ZINC000071776827 563500476 /nfs/dbraw/zinc/50/04/76/563500476.db2.gz ARJOLGUZESAYQD-UHFFFAOYSA-N 1 0 308.425 4.125 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1C)[NH2+]CC2 ZINC000000034561 563506092 /nfs/dbraw/zinc/50/60/92/563506092.db2.gz VUOCCUNKRSMKAJ-HXUWFJFHSA-N 1 0 311.425 4.028 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@@H]([C@@H]1CC=CCC1)[NH2+]CC2 ZINC000000032783 563506278 /nfs/dbraw/zinc/50/62/78/563506278.db2.gz NQOAKPOUJMMSCV-AUUYWEPGSA-N 1 0 301.430 4.027 50 0 DIAARO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000097159301 563507672 /nfs/dbraw/zinc/50/76/72/563507672.db2.gz GNDJXACZESXLSU-CQSZACIVSA-N 1 0 301.459 4.034 50 0 DIAARO COCCC[C@@H]1CCC[N@H+](Cc2c(C)ccc3ncccc32)C1 ZINC000077379939 563510346 /nfs/dbraw/zinc/51/03/46/563510346.db2.gz ZDWPTPOWAKFKBV-KRWDZBQOSA-N 1 0 312.457 4.182 50 0 DIAARO c1coc([C@H]2CCCCC[N@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000077471543 563511009 /nfs/dbraw/zinc/51/10/09/563511009.db2.gz VPLBEPBHLLAHES-GOSISDBHSA-N 1 0 323.396 4.447 50 0 DIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(c3ccccc3)CC2)cc1 ZINC000097287579 563515485 /nfs/dbraw/zinc/51/54/85/563515485.db2.gz WFZBEAGBCIYDSH-UHFFFAOYSA-N 1 0 317.436 4.207 50 0 DIAARO Cc1ccc(-c2ccccc2C[NH+]2CCC(c3cc[nH]n3)CC2)o1 ZINC000097578943 563540637 /nfs/dbraw/zinc/54/06/37/563540637.db2.gz BQEZXTTUIQCYBY-UHFFFAOYSA-N 1 0 321.424 4.358 50 0 DIAARO c1ccc2c(c1)sc1c2cccc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000097729733 563541636 /nfs/dbraw/zinc/54/16/36/563541636.db2.gz RTWYWKDVNRDSPE-UHFFFAOYSA-N 1 0 305.406 4.090 50 0 DIAARO COc1cccc2c(Nc3cccc(C(C)=O)c3)cc(C)nc12 ZINC000000107234 563570226 /nfs/dbraw/zinc/57/02/26/563570226.db2.gz GXZKDQYUQVLNRC-UHFFFAOYSA-N 1 0 306.365 4.498 50 0 DIAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(OC)cc3)c2c1 ZINC000000144077 563573453 /nfs/dbraw/zinc/57/34/53/563573453.db2.gz XTEGPKHRFGBFIF-UHFFFAOYSA-N 1 0 322.364 4.082 50 0 DIAARO C([C@H]1COC2(CCCCCCCCCCC2)O1)[NH+]1CCCC1 ZINC000000194386 563576879 /nfs/dbraw/zinc/57/68/79/563576879.db2.gz MSSAIEVACVNALM-SFHVURJKSA-N 1 0 309.494 4.499 50 0 DIAARO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCCC2)c(C)c1 ZINC000000186682 563606941 /nfs/dbraw/zinc/60/69/41/563606941.db2.gz AHWVRPGVKAZVCR-SFHVURJKSA-N 1 0 314.473 4.347 50 0 DIAARO CC[C@@H](C(=O)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000033996366 563616395 /nfs/dbraw/zinc/61/63/95/563616395.db2.gz OBBFYFBJWYPOQQ-LJQANCHMSA-N 1 0 311.425 4.004 50 0 DIAARO CCc1c(-c2ccccc2)[n+](=O)c(-c2ccccc2)c(CC)n1O ZINC000136087111 563616422 /nfs/dbraw/zinc/61/64/22/563616422.db2.gz FGYUKGCNCBLHBC-UHFFFAOYSA-N 1 0 321.400 4.099 50 0 DIAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc3ccccc3c2)C1 ZINC000046991102 563678224 /nfs/dbraw/zinc/67/82/24/563678224.db2.gz PGKDAOYXJNVSOK-KRWDZBQOSA-N 1 0 324.468 4.082 50 0 DIAARO Cc1cc([C@H]2CCCN2Cc2coc(-c3cccs3)n2)on1 ZINC000048264568 563694046 /nfs/dbraw/zinc/69/40/46/563694046.db2.gz JVKYTWLTMLIYNT-CYBMUJFWSA-N 1 0 315.398 4.037 50 0 DIAARO Cc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc[nH]3)cs2)o1 ZINC000048264575 563694220 /nfs/dbraw/zinc/69/42/20/563694220.db2.gz GIVMLTZQKVCWGS-OAHLLOKOSA-N 1 0 313.426 4.377 50 0 DIAARO Cc1cc([C@@H]2CCCN2Cc2coc(-c3cccs3)n2)on1 ZINC000048264566 563694231 /nfs/dbraw/zinc/69/42/31/563694231.db2.gz JVKYTWLTMLIYNT-ZDUSSCGKSA-N 1 0 315.398 4.037 50 0 DIAARO Cc1ccc(-c2nc(CN3CCC[C@H]3c3ccc[nH]3)cs2)o1 ZINC000048264577 563694258 /nfs/dbraw/zinc/69/42/58/563694258.db2.gz GIVMLTZQKVCWGS-HNNXBMFYSA-N 1 0 313.426 4.377 50 0 DIAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000048301153 563695464 /nfs/dbraw/zinc/69/54/64/563695464.db2.gz ADLUILVUJQYBDL-FCHUYYIVSA-N 1 0 315.416 4.102 50 0 DIAARO COc1cccc(CC[NH2+]Cc2ccc(OC)c3ccccc23)c1 ZINC000002729695 563705823 /nfs/dbraw/zinc/70/58/23/563705823.db2.gz ZRFYJXLJNGALGK-UHFFFAOYSA-N 1 0 321.420 4.189 50 0 DIAARO COc1cccc(CNc2[nH+]cc(-c3ccc(C)cc3)n2C)c1 ZINC000000819111 563721088 /nfs/dbraw/zinc/72/10/88/563721088.db2.gz RZUBTZQIUMBCBY-UHFFFAOYSA-N 1 0 307.397 4.016 50 0 DIAARO CCc1nc2cc(CCC(=O)Nc3cccc(CC)c3)ccc2[nH]1 ZINC000033169583 563723817 /nfs/dbraw/zinc/72/38/17/563723817.db2.gz RFODZVOMACKCSK-UHFFFAOYSA-N 1 0 321.424 4.259 50 0 DIAARO CO[C@@H](C)c1noc(C[N@@H+]2CCCCC[C@@H]2C2CCCCC2)n1 ZINC000225441894 563755400 /nfs/dbraw/zinc/75/54/00/563755400.db2.gz MTLLZKJLYUGEKB-GOEBONIOSA-N 1 0 321.465 4.102 50 0 DIAARO COc1ccc(C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)cc1 ZINC000028925816 563757804 /nfs/dbraw/zinc/75/78/04/563757804.db2.gz GVLVXFBDZXTPIS-ZDUSSCGKSA-N 1 0 311.381 4.301 50 0 DIAARO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)C1(c2ccccc2)CCCC1 ZINC000225566246 563758809 /nfs/dbraw/zinc/75/88/09/563758809.db2.gz IAWLZWWTFKQTMF-MAUKXSAKSA-N 1 0 315.482 4.272 50 0 DIAARO CCc1cc(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)on1 ZINC000242178857 563778122 /nfs/dbraw/zinc/77/81/22/563778122.db2.gz XBMNZHBUKZOYRA-PXNSSMCTSA-N 1 0 312.457 4.171 50 0 DIAARO c1ccc(OCC2CC2)c(C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000063507860 563795515 /nfs/dbraw/zinc/79/55/15/563795515.db2.gz HPQCIVPZRQRUDU-FQEVSTJZSA-N 1 0 307.437 4.123 50 0 DIAARO Cc1ccc(C)c(NC(=O)[C@H]([NH2+]CC(C)C)c2ccccc2)c1 ZINC000003280658 563800433 /nfs/dbraw/zinc/80/04/33/563800433.db2.gz JJABEPMTENYPQK-LJQANCHMSA-N 1 0 310.441 4.229 50 0 DIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)c(C)c1 ZINC000012676530 563809472 /nfs/dbraw/zinc/80/94/72/563809472.db2.gz OVPQPXDZFXRQED-OXQOHEQNSA-N 1 0 322.452 4.371 50 0 DIAARO Cc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2)C2CC2)cc1 ZINC000012679037 563809494 /nfs/dbraw/zinc/80/94/94/563809494.db2.gz DMSUQMWEYKZPOX-BEFAXECRSA-N 1 0 308.425 4.063 50 0 DIAARO c1c(C[NH+]2CCCC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000084559886 563827411 /nfs/dbraw/zinc/82/74/11/563827411.db2.gz VBBYAUDFJWKFQH-UHFFFAOYSA-N 1 0 303.409 4.135 50 0 DIAARO CCC[C@@H]1CCC[N@H+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000084740780 563830734 /nfs/dbraw/zinc/83/07/34/563830734.db2.gz INDJMRALPVKJHV-CQSZACIVSA-N 1 0 316.474 4.002 50 0 DIAARO CCc1ccc(C)[n+](CCOc2c(Cl)cccc2Cl)c1 ZINC000074181564 563832058 /nfs/dbraw/zinc/83/20/58/563832058.db2.gz JLZOPJYASRMUON-UHFFFAOYSA-N 1 0 311.232 4.231 50 0 DIAARO C[C@@H]1C[NH+](CCCCOc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000020168164 563842999 /nfs/dbraw/zinc/84/29/99/563842999.db2.gz JPRKCHDIHWKMEU-IAGOWNOFSA-N 1 0 313.441 4.108 50 0 DIAARO C[N@@H+]1C2CCC(CC2)[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 ZINC000075279680 563862771 /nfs/dbraw/zinc/86/27/71/563862771.db2.gz MSWMGYWWBSBNMO-RRWXTXHCSA-N 1 0 320.436 4.484 50 0 DIAARO C[NH+](C)C[C@@H]1CCC[C@H](c2ccccc2)[C@@]1(O)c1ccccc1 ZINC000102194263 563866693 /nfs/dbraw/zinc/86/66/93/563866693.db2.gz DCTQANNLOUFMPQ-PWRODBHTSA-N 1 0 309.453 4.020 50 0 DIAARO C[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C)c1cccnc1 ZINC000090400551 563870305 /nfs/dbraw/zinc/87/03/05/563870305.db2.gz UANMGTAHITXXOQ-STQMWFEESA-N 1 0 319.246 4.126 50 0 DIAARO CCCc1nc2cc(CCC(=O)Nc3cccc(C)c3)ccc2[nH]1 ZINC000075465708 563874176 /nfs/dbraw/zinc/87/41/76/563874176.db2.gz GJLRGCJGRUAUIP-UHFFFAOYSA-N 1 0 321.424 4.395 50 0 DIAARO COc1cc2c(cc1C[NH2+][C@@H]1CCCc3ccccc31)O[C@H](C)C2 ZINC000025259850 563877716 /nfs/dbraw/zinc/87/77/16/563877716.db2.gz KOQNBDLESMLTMX-AUUYWEPGSA-N 1 0 323.436 4.186 50 0 DIAARO COc1ccccc1[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC000091409606 563878562 /nfs/dbraw/zinc/87/85/62/563878562.db2.gz FKPZZEPKBAHBJM-STXHMFSFSA-N 1 0 317.473 4.472 50 0 DIAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@]1(C)O ZINC000239135361 563879520 /nfs/dbraw/zinc/87/95/20/563879520.db2.gz LDCYUQWOTSEZCL-CGXNFDGLSA-N 1 0 309.453 4.486 50 0 DIAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H](C)[C@@]1(C)O ZINC000239433041 563880211 /nfs/dbraw/zinc/88/02/11/563880211.db2.gz XDCSRNLDRQBFAD-GQFKRECVSA-N 1 0 309.453 4.438 50 0 DIAARO C[C@]12CCCC(=O)[C@@H]1[C@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000252428298 563883957 /nfs/dbraw/zinc/88/39/57/563883957.db2.gz XCTUOBOQUJSQJX-ANULTFPQSA-N 1 0 305.421 4.448 50 0 DIAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)Cc1ccccc1 ZINC000036100805 563893572 /nfs/dbraw/zinc/89/35/72/563893572.db2.gz KJGLHLVVRKPNFM-NRFANRHFSA-N 1 0 311.469 4.119 50 0 DIAARO Cc1scc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1C ZINC000006797689 563894848 /nfs/dbraw/zinc/89/48/48/563894848.db2.gz IAGRVRSLHVZJAM-UHFFFAOYSA-N 1 0 314.498 4.304 50 0 DIAARO CC1(C)CNC(SCc2ccc(Cl)cc2Cl)=[NH+]C1 ZINC000006881350 563898390 /nfs/dbraw/zinc/89/83/90/563898390.db2.gz MQMGRGFBWPWDNH-UHFFFAOYSA-N 1 0 303.258 4.212 50 0 DIAARO c1cc(CC[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)cs1 ZINC000089873072 563911813 /nfs/dbraw/zinc/91/18/13/563911813.db2.gz OYMQPEOOPKVXLM-UHFFFAOYSA-N 1 0 323.421 4.217 50 0 DIAARO CCCCc1noc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000170634528 563912697 /nfs/dbraw/zinc/91/26/97/563912697.db2.gz QBDSAVMMAINTCS-HOTGVXAUSA-N 1 0 313.445 4.099 50 0 DIAARO Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000252477447 563915800 /nfs/dbraw/zinc/91/58/00/563915800.db2.gz ODBXLKDHBXNKCO-YYFZDKIDSA-N 1 0 309.457 4.339 50 0 DIAARO CC(C)CC[C@@H](CC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000002343037 563926133 /nfs/dbraw/zinc/92/61/33/563926133.db2.gz WLFDIVSMVXWZBA-INIZCTEOSA-N 1 0 303.446 4.421 50 0 DIAARO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000095420467 563931366 /nfs/dbraw/zinc/93/13/66/563931366.db2.gz XQMZYHSYNSWXSK-UONOGXRCSA-N 1 0 316.470 4.127 50 0 DIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)c2cccs2)c1 ZINC000095422754 563931409 /nfs/dbraw/zinc/93/14/09/563931409.db2.gz DKQYXICNERAQJL-STQMWFEESA-N 1 0 302.443 4.161 50 0 DIAARO Cc1scc(C[N@@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)c1C ZINC000020514339 563931555 /nfs/dbraw/zinc/93/15/55/563931555.db2.gz JNNPLMSYXVJQKU-OAHLLOKOSA-N 1 0 314.498 4.384 50 0 DIAARO Cc1ccccc1[C@H]([NH2+]Cc1nccn1C)C1CCC(C)CC1 ZINC000095958895 563932389 /nfs/dbraw/zinc/93/23/89/563932389.db2.gz UVAAQQSRCUAWEL-MKJPBZQASA-N 1 0 311.473 4.386 50 0 DIAARO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc(Cl)c1Cl ZINC000095968157 563933095 /nfs/dbraw/zinc/93/30/95/563933095.db2.gz XPUULFNWWCDUDS-SDDRHHMPSA-N 1 0 313.272 4.269 50 0 DIAARO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(Cl)c1Cl ZINC000095968156 563933231 /nfs/dbraw/zinc/93/32/31/563933231.db2.gz XPUULFNWWCDUDS-GRYCIOLGSA-N 1 0 313.272 4.269 50 0 DIAARO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc2ccccc21 ZINC000095983777 563933837 /nfs/dbraw/zinc/93/38/37/563933837.db2.gz DROFNNIBRNZWOO-WBVHZDCISA-N 1 0 311.425 4.176 50 0 DIAARO CCC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccccn1 ZINC000095980743 563933982 /nfs/dbraw/zinc/93/39/82/563933982.db2.gz KRUHQHKDTUHBQG-FXAWDEMLSA-N 1 0 309.457 4.181 50 0 DIAARO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc2ccccc2o1 ZINC000095996223 563934383 /nfs/dbraw/zinc/93/43/83/563934383.db2.gz HMYDAORUHYSJSZ-KDOFPFPSSA-N 1 0 313.397 4.436 50 0 DIAARO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000096012919 563934897 /nfs/dbraw/zinc/93/48/97/563934897.db2.gz OXFBZBMDWQSVFE-NSHDSACASA-N 1 0 308.397 4.463 50 0 DIAARO CCO[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cn2)C(C)C)C12CCCC2 ZINC000230229435 563942033 /nfs/dbraw/zinc/94/20/33/563942033.db2.gz NIKGFOWOLQIATJ-KSZLIROESA-N 1 0 320.452 4.245 50 0 DIAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc(Cl)ccc2n1 ZINC000670435791 563943509 /nfs/dbraw/zinc/94/35/09/563943509.db2.gz XPZCTLBWUDORLG-FVQHAEBGSA-N 1 0 316.832 4.030 50 0 DIAARO CCC[N@@H+]1CCC[C@@]2(C)[C@H]1CCC[C@@H]2OC(=O)c1ccccc1 ZINC000229821391 563945666 /nfs/dbraw/zinc/94/56/66/563945666.db2.gz MIJNOPJLAXKPEM-HBFSDRIKSA-N 1 0 315.457 4.277 50 0 biogenic DIAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CCCCCCC1 ZINC000008236248 563947366 /nfs/dbraw/zinc/94/73/66/563947366.db2.gz FUDGEJZLFQHFBC-GOSISDBHSA-N 1 0 319.489 4.252 50 0 DIAARO Cc1nc(-c2ccccc2)sc1C[NH2+]Cc1cccc(O)c1 ZINC000067011856 563948172 /nfs/dbraw/zinc/94/81/72/563948172.db2.gz KDCBCUKDGKPCNP-UHFFFAOYSA-N 1 0 310.422 4.114 50 0 DIAARO COc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1OC ZINC000008428720 563948602 /nfs/dbraw/zinc/94/86/02/563948602.db2.gz HOESTZZJPCPFTH-OAHLLOKOSA-N 1 0 315.438 4.031 50 0 DIAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@H+](C)Cc1ccccc1)c2=O ZINC000008571815 563949257 /nfs/dbraw/zinc/94/92/57/563949257.db2.gz KXLDUZBWUUMKHG-UHFFFAOYSA-N 1 0 320.436 4.498 50 0 DIAARO CCOc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008713985 563949996 /nfs/dbraw/zinc/94/99/96/563949996.db2.gz OXNFMHWGFLOBSH-ZDUSSCGKSA-N 1 0 314.429 4.022 50 0 DIAARO CCCCc1ccc2[nH]c(C)c(C[NH+](CC)CC)c(=O)c2c1 ZINC000008717210 563950073 /nfs/dbraw/zinc/95/00/73/563950073.db2.gz YHSGPWJTNOSGGV-UHFFFAOYSA-N 1 0 300.446 4.433 50 0 DIAARO CCC[C@@H](C)[N@@H+]1Cc2cccc(NCc3c(C)noc3C)c2C1 ZINC000069846081 563954947 /nfs/dbraw/zinc/95/49/47/563954947.db2.gz RRISYWOZCUWWOV-CYBMUJFWSA-N 1 0 313.445 4.408 50 0 DIAARO Cc1cc(CN2CCCC[C@@H]2c2nc3ccccc3s2)on1 ZINC000009446759 563955999 /nfs/dbraw/zinc/95/59/99/563955999.db2.gz DOYSZWLCICPNHU-OAHLLOKOSA-N 1 0 313.426 4.320 50 0 DIAARO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1C ZINC000010310906 563958517 /nfs/dbraw/zinc/95/85/17/563958517.db2.gz XAXYKJGTFLHZQL-IBGZPJMESA-N 1 0 308.425 4.079 50 0 DIAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000007538620 568412374 /nfs/dbraw/zinc/41/23/74/568412374.db2.gz DMZQCSDRFRXEIS-UHFFFAOYSA-N 1 0 311.356 4.384 50 0 DIAARO CCCCN(C(=O)/C=C/c1ccccc1)C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000002495175 1040086433 /nfs/dbraw/zinc/08/64/33/1040086433.db2.gz JIKAVSKPMLXRKC-PBHHLJAZSA-N 1 0 324.468 4.079 50 0 DIAARO CC[C@@H](C)[NH2+]CCCOc1ccc(Br)cc1Cl ZINC000002822543 1040114134 /nfs/dbraw/zinc/11/41/34/1040114134.db2.gz WSVRYVUHJOSJKB-SNVBAGLBSA-N 1 0 320.658 4.260 50 0 DIAARO CCOc1ccccc1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000023281269 1040548843 /nfs/dbraw/zinc/54/88/43/1040548843.db2.gz VWRUNAMZVKNRMG-UHFFFAOYSA-N 1 0 324.468 4.024 50 0 DIAARO C[C@@H](CC[N@H+](CCN(C)C)Cc1ccccc1)c1ccccc1 ZINC000023282193 1040550749 /nfs/dbraw/zinc/55/07/49/1040550749.db2.gz KQYBVUIVHKKTTK-IBGZPJMESA-N 1 0 310.485 4.244 50 0 DIAARO c1[nH]c2ccccc2c1CN1CCc2c3ccccc3[nH]c2C1 ZINC000003684273 1041255405 /nfs/dbraw/zinc/25/54/05/1041255405.db2.gz UFSBPZWQECBDJI-UHFFFAOYSA-N 1 0 301.393 4.208 50 0 DIAARO CC(C)Oc1cccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000136699986 1041592717 /nfs/dbraw/zinc/59/27/17/1041592717.db2.gz RMPZRDRENLPKBK-KRWDZBQOSA-N 1 0 303.446 4.055 50 0 DIAARO Cc1ccc2[nH]c(C[NH2+]C[C@H]3COc4ccccc43)cc2c1C ZINC000585083560 1042200842 /nfs/dbraw/zinc/20/08/42/1042200842.db2.gz FRHLCICRHWBREI-HNNXBMFYSA-N 1 0 306.409 4.051 50 0 DIAARO CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000004022479 1042959459 /nfs/dbraw/zinc/95/94/59/1042959459.db2.gz BZKIIZKQINTBGD-QFIPXVFZSA-N 1 0 322.496 4.434 50 0 DIAARO Clc1cnccc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000215069627 1044340028 /nfs/dbraw/zinc/34/00/28/1044340028.db2.gz RPEJDNOCRZLESO-KRWDZBQOSA-N 1 0 315.848 4.117 50 0 DIAARO C[C@@H](c1ccncn1)[N@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000215057726 1044340192 /nfs/dbraw/zinc/34/01/92/1044340192.db2.gz VRQQISIYANVXLG-KRWDZBQOSA-N 1 0 317.436 4.302 50 0 DIAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cc(-c3ccccc3)no2)c1 ZINC000216033393 1044342190 /nfs/dbraw/zinc/34/21/90/1044342190.db2.gz ONRWTDBJTHHFKA-MRXNPFEDSA-N 1 0 321.424 4.108 50 0 DIAARO C[N@H+](CC[C@H]1CCCCO1)Cc1ccccc1C(F)(F)F ZINC000215962699 1044342341 /nfs/dbraw/zinc/34/23/41/1044342341.db2.gz GATBSFDTCAAUJR-CQSZACIVSA-N 1 0 301.352 4.096 50 0 DIAARO Clc1cccnc1OC1CCC([NH2+]Cc2ccsc2)CC1 ZINC000186516417 1044470974 /nfs/dbraw/zinc/47/09/74/1044470974.db2.gz PLGMJGFYKOLCNL-UHFFFAOYSA-N 1 0 322.861 4.276 50 0 DIAARO CC(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000019731744 1045579964 /nfs/dbraw/zinc/57/99/64/1045579964.db2.gz CJTFJCDGPSXKKJ-CYBMUJFWSA-N 1 0 319.399 4.190 50 0 DIAARO Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2OC2CCC2)s1 ZINC000090028171 1046333541 /nfs/dbraw/zinc/33/35/41/1046333541.db2.gz JMSVQTSEVCUTCF-GFCCVEGCSA-N 1 0 302.443 4.234 50 0 DIAARO CC[C@H]([NH2+][C@H](C)c1ccc(C(F)F)nc1)c1c(C)noc1C ZINC000657933214 1046380355 /nfs/dbraw/zinc/38/03/55/1046380355.db2.gz PRWJOEZLZYRFQF-RNCFNFMXSA-N 1 0 309.360 4.426 50 0 DIAARO Cc1ccc2c(c1)c1c(n2Cc2ccccc2)CCC[N@@H+](C)C1 ZINC000075567342 1046923490 /nfs/dbraw/zinc/92/34/90/1046923490.db2.gz KLKPVGIQBVJUJN-UHFFFAOYSA-N 1 0 304.437 4.376 50 0 DIAARO CN(Cc1ccncc1Cl)[C@H](c1ccc(F)cc1)C1CC1 ZINC000075765539 1047593259 /nfs/dbraw/zinc/59/32/59/1047593259.db2.gz ZWOWWHFYZCWGNR-KRWDZBQOSA-N 1 0 304.796 4.457 50 0 DIAARO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1ccc2cccc(O)c2n1 ZINC000055270810 1047997588 /nfs/dbraw/zinc/99/75/88/1047997588.db2.gz WYZGRMVLYPAMEO-HNNXBMFYSA-N 1 0 321.424 4.136 50 0 DIAARO CCc1csc(C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)n1 ZINC000823542187 1050146838 /nfs/dbraw/zinc/14/68/38/1050146838.db2.gz DXTFRKVXCALSHX-ZDUSSCGKSA-N 1 0 313.470 4.298 50 0 DIAARO Cc1cnc(C[NH2+][C@H](Cc2ccccc2)C2CCCCC2)cn1 ZINC000952862365 1051120713 /nfs/dbraw/zinc/12/07/13/1051120713.db2.gz OLBRDRVLQGIWEZ-HXUWFJFHSA-N 1 0 309.457 4.066 50 0 DIAARO CCn1ccc2c1cccc2C[N@H+](C)CCc1scnc1C ZINC000952991413 1051126162 /nfs/dbraw/zinc/12/61/62/1051126162.db2.gz PBEZHLITCFDASD-UHFFFAOYSA-N 1 0 313.470 4.101 50 0 DIAARO Cc1cnc(C2CCC2)n1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581808066 1051320728 /nfs/dbraw/zinc/32/07/28/1051320728.db2.gz PKJVUCHWUIOQBM-IBGZPJMESA-N 1 0 323.484 4.371 50 0 DIAARO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)o1 ZINC000678721463 1052618755 /nfs/dbraw/zinc/61/87/55/1052618755.db2.gz HICULKUAZWPVBP-LSDHHAIUSA-N 1 0 324.428 4.108 50 0 DIAARO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012320638 1057020739 /nfs/dbraw/zinc/02/07/39/1057020739.db2.gz NYEZBJMEHQAPIM-HNNXBMFYSA-N 1 0 319.452 4.163 50 0 DIAARO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012320639 1057020779 /nfs/dbraw/zinc/02/07/79/1057020779.db2.gz NYEZBJMEHQAPIM-OAHLLOKOSA-N 1 0 319.452 4.163 50 0 DIAARO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012315880 1057021355 /nfs/dbraw/zinc/02/13/55/1057021355.db2.gz NQZBRPVJMOQVCT-HNNXBMFYSA-N 1 0 319.452 4.163 50 0 DIAARO CCC[N@@H+]1CCC[C@H](Nc2ccc3cc(Cl)ccc3n2)C1 ZINC001529155619 1058625023 /nfs/dbraw/zinc/62/50/23/1058625023.db2.gz WNXPYQWMCVHGNZ-HNNXBMFYSA-N 1 0 303.837 4.175 50 0 DIAARO Nc1[nH]cc(-c2ccc(-c3cc(F)cc4cccnc43)cc2)[nH+]1 ZINC001506399342 1063506374 /nfs/dbraw/zinc/50/63/74/1063506374.db2.gz MARNTWKRHBIMGZ-UHFFFAOYSA-N 1 0 304.328 4.013 50 0 DIAARO Cc1cnc(C[N@H+](Cc2ccsc2)C2CCCCC2)cn1 ZINC001506397638 1063508527 /nfs/dbraw/zinc/50/85/27/1063508527.db2.gz FQIMAOPZKYYAQQ-UHFFFAOYSA-N 1 0 301.459 4.181 50 0 DIAARO C[N@H+](CCCOc1ccc(F)cc1)[C@H](c1ccccn1)C1CC1 ZINC001506414354 1063508801 /nfs/dbraw/zinc/50/88/01/1063508801.db2.gz YHSRQWRVCMVTJL-IBGZPJMESA-N 1 0 314.404 4.073 50 0 DIAARO CC[C@H]([NH2+]C1CCN(c2ccc(C)cc2)CC1)c1cccnc1 ZINC001506417491 1063510337 /nfs/dbraw/zinc/51/03/37/1063510337.db2.gz KOIMNCWEHCQUDJ-FQEVSTJZSA-N 1 0 309.457 4.100 50 0 DIAARO COc1cc2c(cc1OC)[C@@H]1C[C@@H](c3ccccc3)CC[N@@H+]1CC2 ZINC000095561612 185379905 /nfs/dbraw/zinc/37/99/05/185379905.db2.gz SPYSWTOTYSJXHH-LPHOPBHVSA-N 1 0 323.436 4.181 50 0 DIAARO CCCC[C@H](CC)CC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000089953324 185271581 /nfs/dbraw/zinc/27/15/81/185271581.db2.gz CVDKEVGYQIJRAG-INIZCTEOSA-N 1 0 320.477 4.080 50 0 DIAARO CO[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000090176695 185285143 /nfs/dbraw/zinc/28/51/43/185285143.db2.gz ATZOCFLLZIBIFO-XOBRGWDASA-N 1 0 324.399 4.412 50 0 DIAARO [NH3+]Cc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000090225590 185287543 /nfs/dbraw/zinc/28/75/43/185287543.db2.gz NWBDORDTENRHDP-UHFFFAOYSA-N 1 0 303.230 4.235 50 0 DIAARO COc1cc([C@@H](C)[NH2+]Cc2ccco2)ccc1SC(F)F ZINC000095419193 185359686 /nfs/dbraw/zinc/35/96/86/185359686.db2.gz YKOOLVWHPGZBEE-SNVBAGLBSA-N 1 0 313.369 4.454 50 0 DIAARO Cc1cnc([C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C2CC2)s1 ZINC000095423342 185361203 /nfs/dbraw/zinc/36/12/03/185361203.db2.gz YJBLNPFFWYQZFC-CVEARBPZSA-N 1 0 302.418 4.319 50 0 DIAARO CC(C)[C@H](C)[N@H+](Cc1cnc(-c2cccnc2)s1)C1CC1 ZINC000095453806 185369543 /nfs/dbraw/zinc/36/95/43/185369543.db2.gz CMMWCJRDQCWFCG-ZDUSSCGKSA-N 1 0 301.459 4.214 50 0 DIAARO C[C@@H]1CCC[C@@H]1[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000095457060 185370394 /nfs/dbraw/zinc/37/03/94/185370394.db2.gz VFVQTNJXXPSXBA-KCXAZCMYSA-N 1 0 324.262 4.011 50 0 DIAARO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C3OCCO3)cc2)s1 ZINC000097016955 185397467 /nfs/dbraw/zinc/39/74/67/185397467.db2.gz GRHHXXYSRVNZNP-ZDUSSCGKSA-N 1 0 317.454 4.207 50 0 DIAARO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)C1(c2ccccc2)CCCC1 ZINC000225566219 201731534 /nfs/dbraw/zinc/73/15/34/201731534.db2.gz IAWLZWWTFKQTMF-QAPCUYQASA-N 1 0 315.482 4.272 50 0 DIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(Cl)c1 ZINC000072115538 191038008 /nfs/dbraw/zinc/03/80/08/191038008.db2.gz DDOBEKUQEFUIRQ-MRXNPFEDSA-N 1 0 323.868 4.116 50 0 DIAARO Cn1c(C[N@@H+]2CCCC[C@H]2c2ccccn2)cc2cc(F)ccc21 ZINC000072144317 191051543 /nfs/dbraw/zinc/05/15/43/191051543.db2.gz AKNBBGXHCILCJG-FQEVSTJZSA-N 1 0 323.415 4.440 50 0 DIAARO c1coc([C@H]2CCCCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000072145037 191051860 /nfs/dbraw/zinc/05/18/60/191051860.db2.gz OLQIVAAHAOXEMY-MRXNPFEDSA-N 1 0 311.385 4.380 50 0 DIAARO Cc1ccccc1[C@@H]1CCC[N@@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000072410926 191154436 /nfs/dbraw/zinc/15/44/36/191154436.db2.gz KCIUMCGCVWQSDC-QGZVFWFLSA-N 1 0 309.457 4.288 50 0 DIAARO CC(C)(C)[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 ZINC000000534246 180815891 /nfs/dbraw/zinc/81/58/91/180815891.db2.gz VFGRIFARWUEUKG-UHFFFAOYSA-N 1 0 310.248 4.451 50 0 DIAARO COc1ccc(C[NH2+]CC[C@]2(C(C)C)CCOC(C)(C)C2)cc1 ZINC000002206391 180915234 /nfs/dbraw/zinc/91/52/34/180915234.db2.gz BKIXVSLKBOMXIY-FQEVSTJZSA-N 1 0 319.489 4.406 50 0 DIAARO CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000002710348 180947922 /nfs/dbraw/zinc/94/79/22/180947922.db2.gz LOVKKUBFRZORNY-UHFFFAOYSA-N 1 0 324.424 4.149 50 0 DIAARO CCCC[NH2+]CCCCCOc1ccc(Br)cc1 ZINC000002903503 180969191 /nfs/dbraw/zinc/96/91/91/180969191.db2.gz DOJKLOWNGHLXPU-UHFFFAOYSA-N 1 0 314.267 4.388 50 0 DIAARO CCCC[NH2+]CCOCCOc1c(Cl)cc(C)cc1Cl ZINC000003310479 181002640 /nfs/dbraw/zinc/00/26/40/181002640.db2.gz PMJQHWRHSDWPFT-UHFFFAOYSA-N 1 0 320.260 4.087 50 0 DIAARO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000003536901 181031188 /nfs/dbraw/zinc/03/11/88/181031188.db2.gz GEFABWBREMEFRN-IBGZPJMESA-N 1 0 308.425 4.161 50 0 DIAARO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000003536900 181031121 /nfs/dbraw/zinc/03/11/21/181031121.db2.gz GEFABWBREMEFRN-LJQANCHMSA-N 1 0 308.425 4.161 50 0 DIAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1cc2ccccc2o1 ZINC000003648552 181043624 /nfs/dbraw/zinc/04/36/24/181043624.db2.gz LSYYJHKULOPOHB-HNNXBMFYSA-N 1 0 323.392 4.110 50 0 DIAARO CCC[N@@H+]1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000003786466 181046307 /nfs/dbraw/zinc/04/63/07/181046307.db2.gz YEHCICAEULNIGD-MZMPZRCHSA-N 1 0 314.498 4.271 50 0 world DIAARO C/C1=C\CC[C@@H]2[C@H](/C=C(\C)CC1)OC(=O)[C@@H]2C[NH+]1CCCCC1 ZINC000004028495 181064197 /nfs/dbraw/zinc/06/41/97/181064197.db2.gz BYFVAWVWHDPHGP-WKDRVVKDSA-N 1 0 317.473 4.097 50 0 DIAARO O=C(Nc1cccc(Cl)c1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004028979 181064270 /nfs/dbraw/zinc/06/42/70/181064270.db2.gz SPNRTVCVACNDKC-XJKSGUPXSA-N 1 0 322.836 4.153 50 0 biogenic DIAARO C[C@@H]1C[C@](OC(=O)c2ccccc2)(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004011832 181062316 /nfs/dbraw/zinc/06/23/16/181062316.db2.gz ADUJECNUNSENPU-CBGDNZLLSA-N 1 0 323.436 4.099 50 0 DIAARO CSc1ccccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000004146631 181079175 /nfs/dbraw/zinc/07/91/75/181079175.db2.gz JTFWJZSDIREVFS-UHFFFAOYSA-N 1 0 313.466 4.452 50 0 DIAARO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000004264061 181089747 /nfs/dbraw/zinc/08/97/47/181089747.db2.gz FCQJRYIQFHLBRG-FUHWJXTLSA-N 1 0 319.489 4.204 50 0 DIAARO O=C(C[NH2+]Cc1cccs1)Nc1ccccc1-c1ccccc1 ZINC000004501798 181115952 /nfs/dbraw/zinc/11/59/52/181115952.db2.gz KKBXMIZRNNFSMW-UHFFFAOYSA-N 1 0 322.433 4.143 50 0 DIAARO O=C(Nc1ccc(Cl)cc1)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004577402 181126617 /nfs/dbraw/zinc/12/66/17/181126617.db2.gz GRDMMPXVOYPCJQ-CZUORRHYSA-N 1 0 322.836 4.153 50 0 biogenic DIAARO COc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1Br ZINC000004657675 181132955 /nfs/dbraw/zinc/13/29/55/181132955.db2.gz HBXXHQIKNJWXCA-LBPRGKRZSA-N 1 0 320.230 4.309 50 0 DIAARO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000004657443 181133010 /nfs/dbraw/zinc/13/30/10/181133010.db2.gz NTXCIUMEAPDNGT-LBPRGKRZSA-N 1 0 320.230 4.309 50 0 DIAARO CCOC(=O)c1ccccc1Nc1cc(C)[nH+]c2ccccc12 ZINC000004662958 181133435 /nfs/dbraw/zinc/13/34/35/181133435.db2.gz JVWGPRIKUDSPHW-UHFFFAOYSA-N 1 0 306.365 4.464 50 0 DIAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OC ZINC000004657523 181132448 /nfs/dbraw/zinc/13/24/48/181132448.db2.gz COQUEZINISKNBK-LBPRGKRZSA-N 1 0 305.805 4.208 50 0 DIAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(C)c3)n2C)cc1 ZINC000004678812 181136262 /nfs/dbraw/zinc/13/62/62/181136262.db2.gz CUDJZGLCGQPKRR-UHFFFAOYSA-N 1 0 321.424 4.406 50 0 DIAARO Fc1ccccc1C[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000004817066 181156227 /nfs/dbraw/zinc/15/62/27/181156227.db2.gz GJVLNTCYBAYFDG-UHFFFAOYSA-N 1 0 302.368 4.041 50 0 DIAARO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC)c1C ZINC000004838081 181159801 /nfs/dbraw/zinc/15/98/01/181159801.db2.gz JDLPYLDGTFDZFQ-UHFFFAOYSA-N 1 0 315.457 4.071 50 0 DIAARO CC(=O)c1ccc(OCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004842313 181161268 /nfs/dbraw/zinc/16/12/68/181161268.db2.gz WQQPEWWJJVZSMD-HZPDHXFCSA-N 1 0 303.446 4.026 50 0 DIAARO CC1(C)C[C@H]([NH2+]CC[C@H](c2ccco2)c2ccccc2)CCO1 ZINC000004834882 181159142 /nfs/dbraw/zinc/15/91/42/181159142.db2.gz MTBSKVFOKRVVFD-MSOLQXFVSA-N 1 0 313.441 4.349 50 0 DIAARO CC(=O)c1ccc(OCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000004842312 181161337 /nfs/dbraw/zinc/16/13/37/181161337.db2.gz WQQPEWWJJVZSMD-HOTGVXAUSA-N 1 0 303.446 4.026 50 0 DIAARO c1ccc(COc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000004845549 181162695 /nfs/dbraw/zinc/16/26/95/181162695.db2.gz WFTUOFGGLKWFNW-UHFFFAOYSA-N 1 0 311.425 4.130 50 0 DIAARO COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(OC)c1C ZINC000004891806 181168883 /nfs/dbraw/zinc/16/88/83/181168883.db2.gz AKCQLROFPONWHO-SFHVURJKSA-N 1 0 311.425 4.179 50 0 DIAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000004906273 181171767 /nfs/dbraw/zinc/17/17/67/181171767.db2.gz OJXUTEQKYARIAE-RYUDHWBXSA-N 1 0 302.245 4.350 50 0 DIAARO COc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1OC ZINC000004952831 181178715 /nfs/dbraw/zinc/17/87/15/181178715.db2.gz ROSQESCSIPYTGY-UHFFFAOYSA-N 1 0 307.393 4.147 50 0 DIAARO c1ccc(CN2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)cc1 ZINC000004989432 181185926 /nfs/dbraw/zinc/18/59/26/181185926.db2.gz OHIOJDQZFQIQEA-QFIPXVFZSA-N 1 0 320.480 4.318 50 0 DIAARO O=C(Nc1ccccc1)c1cccc2[nH]cc(C[NH+]3CCCC3)c21 ZINC000075483521 191479146 /nfs/dbraw/zinc/47/91/46/191479146.db2.gz WAQVLZDBBKNQSB-UHFFFAOYSA-N 1 0 319.408 4.016 50 0 DIAARO CC[n+]1c(/C=C/c2ccc(OC)cc2OC)ccc2ccccc21 ZINC000005163601 181212688 /nfs/dbraw/zinc/21/26/88/181212688.db2.gz PMZFTPMTPYFXPY-JLHYYAGUSA-N 1 0 320.412 4.335 50 0 DIAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000005425639 181242458 /nfs/dbraw/zinc/24/24/58/181242458.db2.gz YGNVKLJXSFNFRU-HNNXBMFYSA-N 1 0 311.425 4.132 50 0 DIAARO Cc1ccccc1C1CC([NH2+]C[C@@H](c2ccccc2)N(C)C)C1 ZINC000237154839 202170041 /nfs/dbraw/zinc/17/00/41/202170041.db2.gz SGUOPMVGUOONQJ-GRERDSQWSA-N 1 0 308.469 4.134 50 0 DIAARO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000089904666 192901533 /nfs/dbraw/zinc/90/15/33/192901533.db2.gz JVMSJSQSGFJMAH-LBPRGKRZSA-N 1 0 321.827 4.133 50 0 DIAARO CCCOc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1OC ZINC000006645710 181364417 /nfs/dbraw/zinc/36/44/17/181364417.db2.gz GRZCBPDKMIZUHK-MRXNPFEDSA-N 1 0 324.424 4.056 50 0 DIAARO Fc1ccc(COc2ccccc2C[NH2+]Cc2cccnc2)cc1 ZINC000006672085 181368668 /nfs/dbraw/zinc/36/86/68/181368668.db2.gz NGYHMYYADYNZHX-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO CC1(C)C[C@@](CC[NH2+]Cc2cccnc2)(c2ccccc2)CCO1 ZINC000006719094 181376959 /nfs/dbraw/zinc/37/69/59/181376959.db2.gz KKKGDIUSZMZXSN-NRFANRHFSA-N 1 0 324.468 4.088 50 0 DIAARO COC(=O)c1cccc(Nc2cc(C)[nH+]c3c(C)cccc23)c1 ZINC000006815117 181394183 /nfs/dbraw/zinc/39/41/83/181394183.db2.gz YWRJXLSKJBBECR-UHFFFAOYSA-N 1 0 306.365 4.382 50 0 DIAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(OC)c1OC ZINC000006857350 181398543 /nfs/dbraw/zinc/39/85/43/181398543.db2.gz KPIQTEHUFSYMIU-UHFFFAOYSA-N 1 0 309.450 4.017 50 0 DIAARO Cc1ccccc1C[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000252485919 202842806 /nfs/dbraw/zinc/84/28/06/202842806.db2.gz HFBXTCACGGAZKO-UHFFFAOYSA-N 1 0 313.424 4.334 50 0 DIAARO Cc1cccc(C[n+]2cn(Cc3ccccc3)c3ccccc32)c1 ZINC000252499387 202854705 /nfs/dbraw/zinc/85/47/05/202854705.db2.gz RZUZFJCZLSEIJP-UHFFFAOYSA-N 1 0 313.424 4.334 50 0 DIAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C[C@H]2CCCO2)o1 ZINC000007538932 181474056 /nfs/dbraw/zinc/47/40/56/181474056.db2.gz ZSMBATONJUXBJZ-CYBMUJFWSA-N 1 0 305.805 4.177 50 0 DIAARO Cn1ccc([C@@H]([NH2+]CCC2=CCCCC2)c2ccc(F)cc2)n1 ZINC000095986428 193478693 /nfs/dbraw/zinc/47/86/93/193478693.db2.gz SKMUVXSMIUBKQN-IBGZPJMESA-N 1 0 313.420 4.129 50 0 DIAARO Cc1c([C@@H](C)[NH2+]CCc2ccccc2)cnn1-c1ccccc1 ZINC000015073785 181986330 /nfs/dbraw/zinc/98/63/30/181986330.db2.gz HTSQGGRJFWTMEA-MRXNPFEDSA-N 1 0 305.425 4.074 50 0 DIAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc(OC)c1 ZINC000015837270 182020303 /nfs/dbraw/zinc/02/03/03/182020303.db2.gz LOIXQSUGQOKIOS-LJQANCHMSA-N 1 0 315.388 4.180 50 0 DIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000015836785 182020378 /nfs/dbraw/zinc/02/03/78/182020378.db2.gz IWRDYCZIVDKBNX-LJQANCHMSA-N 1 0 309.409 4.119 50 0 DIAARO Clc1ccccc1C[NH2+]Cc1cccc(Br)c1 ZINC000016449757 182045059 /nfs/dbraw/zinc/04/50/59/182045059.db2.gz DDXZRMLGCCKFKI-UHFFFAOYSA-N 1 0 310.622 4.392 50 0 DIAARO COc1cccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c1 ZINC000016662504 182056488 /nfs/dbraw/zinc/05/64/88/182056488.db2.gz QETSFZWGVKWGGP-UHFFFAOYSA-N 1 0 305.421 4.256 50 0 DIAARO Cc1c2cc(C)ccc2oc1C[N@@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000019143749 182105994 /nfs/dbraw/zinc/10/59/94/182105994.db2.gz HIKFSKHYDHCQNN-NRFANRHFSA-N 1 0 321.420 4.143 50 0 DIAARO c1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019537195 182129139 /nfs/dbraw/zinc/12/91/39/182129139.db2.gz HWANWEYSFOWMPP-UHFFFAOYSA-N 1 0 316.448 4.158 50 0 DIAARO COc1ccccc1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019720465 182138711 /nfs/dbraw/zinc/13/87/11/182138711.db2.gz KPRULZXZBIFIPU-UHFFFAOYSA-N 1 0 309.331 4.046 50 0 DIAARO COc1ccc(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000019609029 182133748 /nfs/dbraw/zinc/13/37/48/182133748.db2.gz DKCKLAZNJBLYIJ-CYBMUJFWSA-N 1 0 323.358 4.435 50 0 DIAARO CC(C)(C)C1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019635856 182134388 /nfs/dbraw/zinc/13/43/88/182134388.db2.gz SLGNIDPJGBHUAU-UHFFFAOYSA-N 1 0 314.517 4.409 50 0 DIAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccoc3)C2)c1 ZINC000019837923 182155544 /nfs/dbraw/zinc/15/55/44/182155544.db2.gz YCKBYEMHYPKQBC-GOSISDBHSA-N 1 0 321.424 4.358 50 0 DIAARO CC1CCC([NH+]2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000019788363 182148947 /nfs/dbraw/zinc/14/89/47/182148947.db2.gz HJVAUOJBOPUMDE-UHFFFAOYSA-N 1 0 306.881 4.036 50 0 DIAARO FC(F)(F)c1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019798363 182150663 /nfs/dbraw/zinc/15/06/63/182150663.db2.gz MECNATMMNGQQES-INIZCTEOSA-N 1 0 316.326 4.422 50 0 DIAARO CCc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019823649 182154325 /nfs/dbraw/zinc/15/43/25/182154325.db2.gz PNGRLUJJEBPEAM-RMKNXTFCSA-N 1 0 320.480 4.080 50 0 DIAARO COc1ccc(/C=C/C2=[N+](C)c3ccc(OC)cc3C2(C)C)cc1 ZINC000020058579 182184130 /nfs/dbraw/zinc/18/41/30/182184130.db2.gz LAFAMLOHDKFHDU-MDWZMJQESA-N 1 0 322.428 4.423 50 0 DIAARO C[C@@H]1C[NH+](CCCCSc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000020168467 182194672 /nfs/dbraw/zinc/19/46/72/182194672.db2.gz XTAGUVIWDFNXPH-ZIAGYGMSSA-N 1 0 313.894 4.322 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(C)cc1)[NH2+]CC2 ZINC000020506956 182225852 /nfs/dbraw/zinc/22/58/52/182225852.db2.gz KWPVIMZLABIUNQ-FQEVSTJZSA-N 1 0 311.425 4.028 50 0 DIAARO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(Cl)cc2)n1 ZINC000020515138 182226620 /nfs/dbraw/zinc/22/66/20/182226620.db2.gz UXVQOURBLIWGRB-NWDGAFQWSA-N 1 0 307.825 4.128 50 0 DIAARO CC(C)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000020599802 182236230 /nfs/dbraw/zinc/23/62/30/182236230.db2.gz PDRUCFMANXWUQU-AWEZNQCLSA-N 1 0 319.399 4.191 50 0 DIAARO O=C(c1cccs1)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021170799 182268502 /nfs/dbraw/zinc/26/85/02/182268502.db2.gz LOXDZIUHEFXMLS-MRXNPFEDSA-N 1 0 320.502 4.009 50 0 DIAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021720376 182285857 /nfs/dbraw/zinc/28/58/57/182285857.db2.gz RCEVZOZHASLTPS-GOSISDBHSA-N 1 0 314.429 4.417 50 0 DIAARO O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1F ZINC000022199326 182312640 /nfs/dbraw/zinc/31/26/40/182312640.db2.gz MIVBSVNJNUCUOY-HNNXBMFYSA-N 1 0 318.417 4.053 50 0 DIAARO O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1F ZINC000022199321 182312967 /nfs/dbraw/zinc/31/29/67/182312967.db2.gz MIVBSVNJNUCUOY-OAHLLOKOSA-N 1 0 318.417 4.053 50 0 DIAARO C1=CC[C@H](CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)CC1 ZINC000022468779 182322852 /nfs/dbraw/zinc/32/28/52/182322852.db2.gz SREOCUTYLOXMPK-YSIASYRMSA-N 1 0 302.506 4.072 50 0 DIAARO CC(C)(C)c1ccc(OCCCCCC[NH+]2CCOCC2)cc1 ZINC000023115553 182348442 /nfs/dbraw/zinc/34/84/42/182348442.db2.gz YXAQRPYKUGNRSR-UHFFFAOYSA-N 1 0 319.489 4.256 50 0 DIAARO S=c1sc2ccccc2n1C[N@@H+]1CCc2ccccc2C1 ZINC000023479631 182362244 /nfs/dbraw/zinc/36/22/44/182362244.db2.gz OIQKCEWOXMSVQY-UHFFFAOYSA-N 1 0 312.463 4.448 50 0 DIAARO c1ccc2oc(NCc3ccc(C[NH+]4CCCCC4)cc3)nc2c1 ZINC000029396395 182563616 /nfs/dbraw/zinc/56/36/16/182563616.db2.gz KKWWBGPLBHZRSV-UHFFFAOYSA-N 1 0 321.424 4.426 50 0 DIAARO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000040155734 183040669 /nfs/dbraw/zinc/04/06/69/183040669.db2.gz CDWKJPACYVRXMX-AYBZRNKSSA-N 1 0 316.489 4.058 50 0 DIAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CC2(c3ccccc3)CC2)cc1 ZINC000040091394 183033435 /nfs/dbraw/zinc/03/34/35/183033435.db2.gz QGALDZUAHDRLCX-UHFFFAOYSA-N 1 0 321.399 4.037 50 0 DIAARO O[C@@H](c1ccccc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000041840894 183222127 /nfs/dbraw/zinc/22/21/27/183222127.db2.gz CTDVLAJTGZQELM-NRFANRHFSA-N 1 0 309.453 4.065 50 0 DIAARO C[C@H](C[N@@H+]1CCC[C@H](c2ccccc2)C1)n1cnc2ccccc21 ZINC000042437793 183270520 /nfs/dbraw/zinc/27/05/20/183270520.db2.gz QFKDUXSSMSKSKN-MJGOQNOKSA-N 1 0 319.452 4.477 50 0 DIAARO c1ccc(COc2ccc(OCCC3CC[NH2+]CC3)cc2)cc1 ZINC000042773024 183306995 /nfs/dbraw/zinc/30/69/95/183306995.db2.gz KSLGESQTLSWSAA-UHFFFAOYSA-N 1 0 311.425 4.034 50 0 DIAARO CC[C@@H](C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774566 183307626 /nfs/dbraw/zinc/30/76/26/183307626.db2.gz QCMRKGDUFPJXTK-YPMHNXCESA-N 1 0 312.251 4.093 50 0 DIAARO Brc1ccc(SCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043499553 183367376 /nfs/dbraw/zinc/36/73/76/183367376.db2.gz YJEGDPYEKJQVJQ-LBPRGKRZSA-N 1 0 300.265 4.073 50 0 DIAARO O=C(C[NH2+]Cc1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000057452413 184039121 /nfs/dbraw/zinc/03/91/21/184039121.db2.gz RCFOMKLWZQJHRT-UHFFFAOYSA-N 1 0 316.404 4.082 50 0 DIAARO CCc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000058165464 184083238 /nfs/dbraw/zinc/08/32/38/184083238.db2.gz MGCVDIQDODZFAY-UHFFFAOYSA-N 1 0 308.469 4.003 50 0 DIAARO CCCC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000058216918 184089105 /nfs/dbraw/zinc/08/91/05/184089105.db2.gz VQVYCRBFHYOSGF-UHFFFAOYSA-N 1 0 303.233 4.054 50 0 DIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccccc1 ZINC000058152716 184081473 /nfs/dbraw/zinc/08/14/73/184081473.db2.gz MJQCRUHTDLGQFO-MRXNPFEDSA-N 1 0 319.452 4.399 50 0 DIAARO CC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000060105679 184144398 /nfs/dbraw/zinc/14/43/98/184144398.db2.gz OSTAULSTMSIVAC-OAHLLOKOSA-N 1 0 300.402 4.115 50 0 DIAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000061013312 184159458 /nfs/dbraw/zinc/15/94/58/184159458.db2.gz PAWDDYAJAFNDQC-CQSZACIVSA-N 1 0 319.880 4.394 50 0 DIAARO Cc1nc2ccccc2n1CC[NH2+]Cc1cccc2ccccc21 ZINC000061556636 184174565 /nfs/dbraw/zinc/17/45/65/184174565.db2.gz KEKYWRINFJCRMV-UHFFFAOYSA-N 1 0 315.420 4.288 50 0 DIAARO Cc1ccc(C[N@@H+](CC(=O)N2CCCCCCC2)C(C)C)s1 ZINC000065162000 184312752 /nfs/dbraw/zinc/31/27/52/184312752.db2.gz UFORBEZAAROLKX-UHFFFAOYSA-N 1 0 322.518 4.060 50 0 DIAARO Oc1cccc(C[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)CC2)c1 ZINC000065393833 184334413 /nfs/dbraw/zinc/33/44/13/184334413.db2.gz AOXPEGQMNQPHCS-OAQYLSRUSA-N 1 0 321.420 4.223 50 0 DIAARO CCc1cc(-c2cccc([C@H](C)[NH+](C)C)c2)ccc1NC(C)=O ZINC000065374330 184331091 /nfs/dbraw/zinc/33/10/91/184331091.db2.gz GRISLNQHTORSHK-AWEZNQCLSA-N 1 0 310.441 4.497 50 0 DIAARO CC[N@@H+]1CCC[C@@H](c2nccn2-c2cccc(Cl)c2C)C1 ZINC000065421359 184341690 /nfs/dbraw/zinc/34/16/90/184341690.db2.gz HVSWLGGVRSZFTE-CQSZACIVSA-N 1 0 303.837 4.033 50 0 DIAARO C[C@@H](c1ccc(-c2cnc(Cl)cn2)cc1)[NH+]1CCCCC1 ZINC000065489603 184353067 /nfs/dbraw/zinc/35/30/67/184353067.db2.gz CADJLMVFELUGRD-ZDUSSCGKSA-N 1 0 301.821 4.344 50 0 DIAARO CC(=O)Nc1ccc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)cn1 ZINC000065529255 184360087 /nfs/dbraw/zinc/36/00/87/184360087.db2.gz XIBKNGRXFAWGLK-HNNXBMFYSA-N 1 0 323.440 4.254 50 0 DIAARO CC(=O)Nc1ccc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)cn1 ZINC000065529258 184360422 /nfs/dbraw/zinc/36/04/22/184360422.db2.gz XIBKNGRXFAWGLK-OAHLLOKOSA-N 1 0 323.440 4.254 50 0 DIAARO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CCO[C@H](C3CC3)C1)CCCO2 ZINC000157669885 197206840 /nfs/dbraw/zinc/20/68/40/197206840.db2.gz HUKQFANVYFWGDT-QRQLOZEOSA-N 1 0 315.457 4.064 50 0 DIAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000008311888 256523215 /nfs/dbraw/zinc/52/32/15/256523215.db2.gz BIWOHGQOCMGKSL-BHDDXSALSA-N 1 0 321.464 4.339 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1 ZINC000279631421 257237463 /nfs/dbraw/zinc/23/74/63/257237463.db2.gz BVDOQWROGFRTOT-NEPJUHHUSA-N 1 0 305.219 4.256 50 0 DIAARO Cc1c(O)ccc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1C ZINC000426726762 257243592 /nfs/dbraw/zinc/24/35/92/257243592.db2.gz KWUQPUSWAKJYGX-MRXNPFEDSA-N 1 0 311.425 4.069 50 0 DIAARO Cc1nn(C(F)F)cc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426431412 257250164 /nfs/dbraw/zinc/25/01/64/257250164.db2.gz VNYLFDLLRXIQRC-CYBMUJFWSA-N 1 0 305.372 4.410 50 0 DIAARO C[C@H](c1ccc(-c2ccc(O)c(Cl)c2)cc1)[NH+]1CCOCC1 ZINC000426386501 257252755 /nfs/dbraw/zinc/25/27/55/257252755.db2.gz YECNBCONWJZJHC-CYBMUJFWSA-N 1 0 317.816 4.106 50 0 DIAARO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccn2)c2ccccc2)CCO1 ZINC000408514144 257256292 /nfs/dbraw/zinc/25/62/92/257256292.db2.gz HAWSCTVRCKYSRB-ACRUOGEOSA-N 1 0 324.468 4.159 50 0 DIAARO C(C1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000244633359 257259626 /nfs/dbraw/zinc/25/96/26/257259626.db2.gz GBNBYPBMSVRMBX-WOJBJXKFSA-N 1 0 304.522 4.296 50 0 DIAARO Cc1ncsc1CCOc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000299766567 229412852 /nfs/dbraw/zinc/41/28/52/229412852.db2.gz FPXHVBIMJBJUKU-UHFFFAOYSA-N 1 0 316.470 4.105 50 0 DIAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007811089 331504115 /nfs/dbraw/zinc/50/41/15/331504115.db2.gz FSIXEABZFZUHLX-OAGGEKHMSA-N 1 0 310.441 4.145 50 0 DIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCc3ccccc32)o1 ZINC000042907881 332255229 /nfs/dbraw/zinc/25/52/29/332255229.db2.gz CPNJVDWRIIMLMB-QGZVFWFLSA-N 1 0 307.397 4.145 50 0 DIAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nccc3ccsc32)C1 ZINC000328592726 534228919 /nfs/dbraw/zinc/22/89/19/534228919.db2.gz VMCMSPDJZKDULC-LZWOXQAQSA-N 1 0 315.486 4.138 50 0 DIAARO CCO[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C12CCC2 ZINC000095991294 517718993 /nfs/dbraw/zinc/71/89/93/517718993.db2.gz HJBOLBKDYODKDQ-SYNTWQANSA-N 1 0 303.421 4.009 50 0 DIAARO CCn1c2ccccc2nc1[C@H]1CCCN1CCC(F)(F)F ZINC000084131110 563823446 /nfs/dbraw/zinc/82/34/46/563823446.db2.gz VJJZFBMILURQSH-CQSZACIVSA-N 1 0 311.351 4.146 50 0 DIAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000008700898 563949801 /nfs/dbraw/zinc/94/98/01/563949801.db2.gz WIYFKEZSQPKYHG-LLVKDONJSA-N 1 0 304.821 4.134 50 0 DIAARO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+]2CCC(C)C)c(C)c1 ZINC000000031404 563211215 /nfs/dbraw/zinc/21/12/15/563211215.db2.gz NDTLIXTXZSLPIO-QGZVFWFLSA-N 1 0 302.462 4.061 50 0 DIAARO CC(C)(C)c1cn2c3ccccc3nc2n1CC[NH+]1CCCCC1 ZINC000000233311 563232338 /nfs/dbraw/zinc/23/23/38/563232338.db2.gz BMZGVLHQPJTYPW-UHFFFAOYSA-N 1 0 324.472 4.072 50 0 DIAARO CCC[N@H+](CCO)Cc1ccc2c(c1)c1ccccc1n2CC ZINC000000279263 563235188 /nfs/dbraw/zinc/23/51/88/563235188.db2.gz CVESPPFUTUXJHF-UHFFFAOYSA-N 1 0 310.441 4.019 50 0 DIAARO Fc1ccccc1COc1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000000360666 563244281 /nfs/dbraw/zinc/24/42/81/563244281.db2.gz QFWRYGZLDAAEDX-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000000438151 563254027 /nfs/dbraw/zinc/25/40/27/563254027.db2.gz OYNHPMMPKUTFQD-FGTMMUONSA-N 1 0 319.489 4.121 50 0 DIAARO FC(F)(F)c1cc(CC2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000002513154 563305450 /nfs/dbraw/zinc/30/54/50/563305450.db2.gz BWDDICGBUOKWOR-UHFFFAOYSA-N 1 0 311.269 4.266 50 0 DIAARO C[C@H](C[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000004980567 563328108 /nfs/dbraw/zinc/32/81/08/563328108.db2.gz IQSBLKYGLFGAAX-MRXNPFEDSA-N 1 0 314.860 4.266 50 0 DIAARO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)c1 ZINC000004981262 563328209 /nfs/dbraw/zinc/32/82/09/563328209.db2.gz APILLDVXAWYBIR-FQEVSTJZSA-N 1 0 322.496 4.447 50 0 DIAARO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CCCC1 ZINC000097491332 563351648 /nfs/dbraw/zinc/35/16/48/563351648.db2.gz WJEGVPPQPCKPDJ-AWEZNQCLSA-N 1 0 322.880 4.124 50 0 DIAARO O=C(Nc1ccc(F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010335066 563355864 /nfs/dbraw/zinc/35/58/64/563355864.db2.gz XEIMOZGSQLVHSP-UHFFFAOYSA-N 1 0 312.388 4.064 50 0 DIAARO Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333924 563356001 /nfs/dbraw/zinc/35/60/01/563356001.db2.gz YQSDWVQWOZRAOV-UHFFFAOYSA-N 1 0 308.425 4.233 50 0 DIAARO COc1cccc(C[NH2+]C(C)C)c1OCc1ccccc1Cl ZINC000010435837 563356813 /nfs/dbraw/zinc/35/68/13/563356813.db2.gz FNMRIWJHLWRMEO-UHFFFAOYSA-N 1 0 319.832 4.426 50 0 DIAARO COc1cc(-c2nc(C[N@@H+]3CCCC[C@H]3C)c(C)o2)ccc1F ZINC000011765250 563359187 /nfs/dbraw/zinc/35/91/87/563359187.db2.gz QJNSZYQPALCSCG-GFCCVEGCSA-N 1 0 318.392 4.172 50 0 DIAARO CCC(CC)[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C ZINC000011932969 563360806 /nfs/dbraw/zinc/36/08/06/563360806.db2.gz XOZOYXUDSMCMEM-NSHDSACASA-N 1 0 307.388 4.298 50 0 DIAARO COc1ccc(C[NH2+]Cc2cccnc2Oc2ccccc2)cc1 ZINC000012195099 563364224 /nfs/dbraw/zinc/36/42/24/563364224.db2.gz MVMVKPAUDMYSCS-UHFFFAOYSA-N 1 0 320.392 4.172 50 0 DIAARO Cc1c([C@@H](C)[NH2+]C2CCCCC2)cnn1-c1ccc(F)cc1F ZINC000012315470 563366257 /nfs/dbraw/zinc/36/62/57/563366257.db2.gz QARCTVPWRVOIIC-GFCCVEGCSA-N 1 0 319.399 4.442 50 0 DIAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccoc3)C2)cc1 ZINC000012465974 563370215 /nfs/dbraw/zinc/37/02/15/563370215.db2.gz YODBDKOTIARZIU-INIZCTEOSA-N 1 0 315.438 4.096 50 0 DIAARO Cc1ccc(C)c(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000012584547 563371763 /nfs/dbraw/zinc/37/17/63/563371763.db2.gz PXCKHMAZUXFEJU-UHFFFAOYSA-N 1 0 323.480 4.121 50 0 DIAARO Cc1c([C@H](C)[NH2+]CC2CCCC2)cnn1-c1ccc(F)cc1F ZINC000012750890 563373151 /nfs/dbraw/zinc/37/31/51/563373151.db2.gz FVMNRWZFJPYGCD-LBPRGKRZSA-N 1 0 319.399 4.300 50 0 DIAARO C[C@@H]1C[C@@](OC(=O)c2ccccc2)(c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013126276 563378279 /nfs/dbraw/zinc/37/82/79/563378279.db2.gz ADUJECNUNSENPU-FVJLSDCUSA-N 1 0 323.436 4.099 50 0 DIAARO C[C@H](NC(=O)C[N@H+](C)C1CCC(C)CC1)c1ccccc1Cl ZINC000032751522 563390128 /nfs/dbraw/zinc/39/01/28/563390128.db2.gz RROJKFXPLIZYCS-SLTAFYQDSA-N 1 0 322.880 4.028 50 0 DIAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000015064664 563406312 /nfs/dbraw/zinc/40/63/12/563406312.db2.gz JFUFQQLHWQVMNQ-QGZVFWFLSA-N 1 0 313.828 4.435 50 0 DIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000032891496 563409005 /nfs/dbraw/zinc/40/90/05/563409005.db2.gz ZUHIDEIKCJBMLJ-UHFFFAOYSA-N 1 0 314.816 4.188 50 0 DIAARO c1nn(Cc2ccccc2)c2c1[C@@H]([NH2+]Cc1ccccc1)CCC2 ZINC000027222419 563427410 /nfs/dbraw/zinc/42/74/10/563427410.db2.gz LMPRBSXCAMABJF-FQEVSTJZSA-N 1 0 317.436 4.099 50 0 DIAARO CC(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582726 563428614 /nfs/dbraw/zinc/42/86/14/563428614.db2.gz DOWBWNNUHMWDAY-QGZVFWFLSA-N 1 0 322.880 4.029 50 0 DIAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc2[nH]ccc21 ZINC000072274469 563431645 /nfs/dbraw/zinc/43/16/45/563431645.db2.gz XMHSBBKHJNMEEJ-SFHVURJKSA-N 1 0 322.456 4.287 50 0 DIAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000023282435 563434564 /nfs/dbraw/zinc/43/45/64/563434564.db2.gz BDCQENHXWMYNRU-AWEZNQCLSA-N 1 0 303.833 4.460 50 0 DIAARO Cc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1F ZINC000070160118 563438980 /nfs/dbraw/zinc/43/89/80/563438980.db2.gz FMSHKHBEVVEDTB-UHFFFAOYSA-N 1 0 308.194 4.186 50 0 DIAARO c1csc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCC4)c1 ZINC000032919304 563444467 /nfs/dbraw/zinc/44/44/67/563444467.db2.gz HXWQTTOWNKEGJJ-MRXNPFEDSA-N 1 0 312.463 4.282 50 0 DIAARO Fc1ccc(-c2cccc(C[NH2+]Cc3ccccc3)n2)c(F)c1 ZINC000035630180 563454204 /nfs/dbraw/zinc/45/42/04/563454204.db2.gz GSUCRNFYWHHDPR-UHFFFAOYSA-N 1 0 310.347 4.317 50 0 DIAARO C[NH2+]Cc1cc(F)ccc1Oc1ccc(Br)cc1 ZINC000037237642 563458291 /nfs/dbraw/zinc/45/82/91/563458291.db2.gz PRAAUKSEULTHFH-UHFFFAOYSA-N 1 0 310.166 4.100 50 0 DIAARO C[NH+](C)C(C)(C)CNc1nnc(-c2ccccc2)c2ccccc21 ZINC000033012157 563461885 /nfs/dbraw/zinc/46/18/85/563461885.db2.gz KZDWFLTXGIYIRD-UHFFFAOYSA-N 1 0 320.440 4.049 50 0 DIAARO CCC[C@H](C)C[NH+]1CCC(n2cc(-c3ccccc3)nn2)CC1 ZINC000055089393 563470495 /nfs/dbraw/zinc/47/04/95/563470495.db2.gz BDIPXEPENWNUES-INIZCTEOSA-N 1 0 312.461 4.018 50 0 DIAARO CC(C)CC[C@@H](C)[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055061005 563471035 /nfs/dbraw/zinc/47/10/35/563471035.db2.gz ADJPWUSZKISVHJ-MRXNPFEDSA-N 1 0 318.509 4.397 50 0 DIAARO COc1ccccc1C[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000055227216 563472658 /nfs/dbraw/zinc/47/26/58/563472658.db2.gz YPIGRFRHOILKCB-UHFFFAOYSA-N 1 0 306.409 4.341 50 0 DIAARO Cc1cccc(-c2ncc(C[NH2+]CCCc3ccccc3)cn2)c1 ZINC000055271000 563473384 /nfs/dbraw/zinc/47/33/84/563473384.db2.gz IVQLDBPPWZAJKM-UHFFFAOYSA-N 1 0 317.436 4.174 50 0 DIAARO Cc1cc(C)c(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c(C)c1 ZINC000055344750 563474295 /nfs/dbraw/zinc/47/42/95/563474295.db2.gz FSMLFDRWMZXHMM-UHFFFAOYSA-N 1 0 323.415 4.431 50 0 DIAARO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000058368525 563478361 /nfs/dbraw/zinc/47/83/61/563478361.db2.gz RYSFHKWSIHORIY-UHFFFAOYSA-N 1 0 308.425 4.315 50 0 DIAARO Cc1nnc([C@@H](C)N(C)Cc2ccccc2-c2ccccc2)o1 ZINC000058341469 563478671 /nfs/dbraw/zinc/47/86/71/563478671.db2.gz WFVZAGZOJVDLOA-CQSZACIVSA-N 1 0 307.397 4.238 50 0 DIAARO Clc1ccc(Oc2ccc(C[NH+]3CCCC3)cc2Cl)nn1 ZINC000067713424 563489623 /nfs/dbraw/zinc/48/96/23/563489623.db2.gz ACUOKAHDXOIFQY-UHFFFAOYSA-N 1 0 324.211 4.172 50 0 DIAARO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CC(C)C)CCO3)s1 ZINC000067757240 563490344 /nfs/dbraw/zinc/49/03/44/563490344.db2.gz LBNDCXLPGNGDCA-UHFFFAOYSA-N 1 0 317.454 4.280 50 0 DIAARO c1nc2c([nH]1)[C@@H](c1ccc(-c3cc4ccccc4o3)cc1)[NH2+]CC2 ZINC000067856562 563492168 /nfs/dbraw/zinc/49/21/68/563492168.db2.gz SIKHYYOABULYDL-LJQANCHMSA-N 1 0 315.376 4.058 50 0 DIAARO c1nc2c([nH]1)[C@H](c1ccc(-c3cc4ccccc4o3)cc1)[NH2+]CC2 ZINC000067856564 563492299 /nfs/dbraw/zinc/49/22/99/563492299.db2.gz SIKHYYOABULYDL-IBGZPJMESA-N 1 0 315.376 4.058 50 0 DIAARO C[C@H](CCCC(C)(C)O)n1ccnc1-c1ccc(O)c(Cl)c1 ZINC000067973733 563494283 /nfs/dbraw/zinc/49/42/83/563494283.db2.gz VGHDUETXYUWLAH-GFCCVEGCSA-N 1 0 322.836 4.411 50 0 DIAARO C[C@]12CCCC(=O)[C@@H]1[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000068677141 563495885 /nfs/dbraw/zinc/49/58/85/563495885.db2.gz XCTUOBOQUJSQJX-MHTWAQMVSA-N 1 0 305.421 4.448 50 0 DIAARO CSc1ccc(-c2nccn2[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000072407502 563503259 /nfs/dbraw/zinc/50/32/59/563503259.db2.gz CJIZOQRPDQIHNR-CYBMUJFWSA-N 1 0 312.442 4.107 50 0 DIAARO C[N@H+](C/C=C/c1ccc(F)cc1)Cc1cc(-c2cccnc2)no1 ZINC000077302364 563508186 /nfs/dbraw/zinc/50/81/86/563508186.db2.gz QLRGZSDDAZUXBZ-ONEGZZNKSA-N 1 0 323.371 4.021 50 0 DIAARO Cc1ccsc1-c1nccn1C[C@@H](c1cccs1)[NH+](C)C ZINC000077388826 563509933 /nfs/dbraw/zinc/50/99/33/563509933.db2.gz LGGQWZOVJZHENA-ZDUSSCGKSA-N 1 0 317.483 4.284 50 0 DIAARO Cc1csc(C2([NH2+][C@H](C)CCc3ccccc3)CCC2)n1 ZINC000097212479 563513119 /nfs/dbraw/zinc/51/31/19/563513119.db2.gz CIDFVFQIDFCUBE-CQSZACIVSA-N 1 0 300.471 4.442 50 0 DIAARO COc1ccc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)cc1CO ZINC000096136554 563534075 /nfs/dbraw/zinc/53/40/75/563534075.db2.gz BLTYHOAJOYKDEK-OAHLLOKOSA-N 1 0 311.425 4.011 50 0 DIAARO CC(C)c1nc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)co1 ZINC000097609951 563539994 /nfs/dbraw/zinc/53/99/94/563539994.db2.gz KDIAYMMHMRJENR-SFHVURJKSA-N 1 0 313.445 4.180 50 0 DIAARO c1coc(-c2cccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)c2)c1 ZINC000097713503 563541893 /nfs/dbraw/zinc/54/18/93/563541893.db2.gz ZRRQIEWVOAIHSC-GOSISDBHSA-N 1 0 319.408 4.116 50 0 DIAARO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000097698930 563542057 /nfs/dbraw/zinc/54/20/57/563542057.db2.gz AONLPSRLZHQUCE-INIZCTEOSA-N 1 0 301.455 4.416 50 0 DIAARO c1coc(-c2cccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)c2)c1 ZINC000097713502 563542084 /nfs/dbraw/zinc/54/20/84/563542084.db2.gz ZRRQIEWVOAIHSC-SFHVURJKSA-N 1 0 319.408 4.116 50 0 DIAARO c1ccc(C2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000000280158 563584870 /nfs/dbraw/zinc/58/48/70/563584870.db2.gz XTCMTVPLRRUYAO-UHFFFAOYSA-N 1 0 309.409 4.231 50 0 DIAARO CC[NH+](CC)Cc1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000000359476 563590053 /nfs/dbraw/zinc/59/00/53/563590053.db2.gz CPYRSGLYASSSSA-UHFFFAOYSA-N 1 0 316.470 4.459 50 0 DIAARO CCc1noc(CC)c1C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000166931887 563618894 /nfs/dbraw/zinc/61/88/94/563618894.db2.gz OCLJQBAULIPLJH-BLVKFPJESA-N 1 0 316.420 4.352 50 0 DIAARO Clc1ccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(Cl)c1 ZINC000014196644 563665650 /nfs/dbraw/zinc/66/56/50/563665650.db2.gz AGKZKKKAAZXHSZ-BETUJISGSA-N 1 0 315.269 4.497 50 0 DIAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000107504650 563683998 /nfs/dbraw/zinc/68/39/98/563683998.db2.gz YDUSXYLTWIEXSB-QLVMHMETSA-N 1 0 324.468 4.137 50 0 DIAARO CCCCCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000048288765 563695054 /nfs/dbraw/zinc/69/50/54/563695054.db2.gz LWDGYTGNHZREBV-UHFFFAOYSA-N 1 0 316.489 4.115 50 0 DIAARO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(F)c1 ZINC000048368797 563697942 /nfs/dbraw/zinc/69/79/42/563697942.db2.gz FPDDPTLDINSGBI-QRWLVFNGSA-N 1 0 313.416 4.160 50 0 DIAARO COC[C@@H]1CC[N@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215718317 563706965 /nfs/dbraw/zinc/70/69/65/563706965.db2.gz ANLCJPOJMVFFCF-OAHLLOKOSA-N 1 0 317.454 4.208 50 0 DIAARO COc1cccc2c1CC[C@H]2[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000095968575 563713883 /nfs/dbraw/zinc/71/38/83/563713883.db2.gz GNKQOTINDNRGAV-NVXWUHKLSA-N 1 0 314.454 4.188 50 0 DIAARO COc1cc2c(cc1C[NH2+][C@@H]1CCCc3ccccc31)O[C@@H](C)C2 ZINC000025259855 563725818 /nfs/dbraw/zinc/72/58/18/563725818.db2.gz KOQNBDLESMLTMX-IFXJQAMLSA-N 1 0 323.436 4.186 50 0 DIAARO Cn1c(C[N@@H+]2CCCCC[C@@H]2C2CCCCC2)nnc1C1CC1 ZINC000225396528 563754107 /nfs/dbraw/zinc/75/41/07/563754107.db2.gz KDQDHMNTDAAJMR-QGZVFWFLSA-N 1 0 316.493 4.017 50 0 DIAARO Clc1scc(CN2CCC(c3cc[nH]n3)CC2)c1Cl ZINC000225465190 563756042 /nfs/dbraw/zinc/75/60/42/563756042.db2.gz RFEXAYLNIJXAGH-UHFFFAOYSA-N 1 0 316.257 4.158 50 0 DIAARO c1coc([C@H]2CCCCC[N@H+]2Cc2cc(-c3cccnc3)no2)c1 ZINC000244899458 563779892 /nfs/dbraw/zinc/77/98/92/563779892.db2.gz ZKFVNHZAXCDZFD-GOSISDBHSA-N 1 0 323.396 4.447 50 0 DIAARO CCCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299799445 563806550 /nfs/dbraw/zinc/80/65/50/563806550.db2.gz GJVWPYIUYOSSHX-BBWFWOEESA-N 1 0 311.429 4.105 50 0 DIAARO c1cc(C[NH2+]Cc2ccc(OC[C@H]3CC=CCC3)cc2)ccn1 ZINC000299790611 563806708 /nfs/dbraw/zinc/80/67/08/563806708.db2.gz CBKSUCWKUQMCGD-IBGZPJMESA-N 1 0 308.425 4.107 50 0 DIAARO Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccc(C)c2)C2CC2)cc1 ZINC000012679255 563808967 /nfs/dbraw/zinc/80/89/67/563808967.db2.gz WEOWKQPBMZJRIW-OXQOHEQNSA-N 1 0 322.452 4.371 50 0 DIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000012672970 563809001 /nfs/dbraw/zinc/80/90/01/563809001.db2.gz KYHBUFSRGTXJQT-BEFAXECRSA-N 1 0 308.425 4.063 50 0 DIAARO c1cncc(COc2ccc(C[NH2+]C3CCCCCC3)cc2)c1 ZINC000084425099 563826864 /nfs/dbraw/zinc/82/68/64/563826864.db2.gz VIGXQTZRCYFXMN-UHFFFAOYSA-N 1 0 310.441 4.473 50 0 DIAARO Cc1noc(C)c1CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000012771680 563828210 /nfs/dbraw/zinc/82/82/10/563828210.db2.gz OMZBGBPNEQTOEJ-LLVKDONJSA-N 1 0 301.415 4.094 50 0 DIAARO Cc1noc(C)c1CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000012771684 563828257 /nfs/dbraw/zinc/82/82/57/563828257.db2.gz OMZBGBPNEQTOEJ-NSHDSACASA-N 1 0 301.415 4.094 50 0 DIAARO C[C@H]1C[NH+](CCCCOc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000020168169 563843016 /nfs/dbraw/zinc/84/30/16/563843016.db2.gz JPRKCHDIHWKMEU-IRXDYDNUSA-N 1 0 313.441 4.108 50 0 DIAARO Fc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000104276716 563843521 /nfs/dbraw/zinc/84/35/21/563843521.db2.gz DHMMQFBVMCMNCO-WOJBJXKFSA-N 1 0 316.464 4.055 50 0 DIAARO Cc1ncc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)s1 ZINC000264402837 563843782 /nfs/dbraw/zinc/84/37/82/563843782.db2.gz WGWYAFVBFHGFKV-UHFFFAOYSA-N 1 0 302.443 4.063 50 0 DIAARO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000012909036 563853963 /nfs/dbraw/zinc/85/39/63/563853963.db2.gz JKPKACYVQXCYTL-CYBMUJFWSA-N 1 0 313.351 4.001 50 0 DIAARO Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C)c3ccc(C)cc3)c(C)n2n1 ZINC000091726809 563879224 /nfs/dbraw/zinc/87/92/24/563879224.db2.gz FHTQKQZCHGYYOY-HOCLYGCPSA-N 1 0 322.456 4.109 50 0 DIAARO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(C)c1 ZINC000239433695 563880139 /nfs/dbraw/zinc/88/01/39/563880139.db2.gz YIAGVNLOFHZFER-MSOLQXFVSA-N 1 0 314.473 4.062 50 0 DIAARO Cc1ccc2c(C[N@H+](C)Cc3ccccc3)cc(=O)oc2c1C ZINC000054105864 563883286 /nfs/dbraw/zinc/88/32/86/563883286.db2.gz HKMQKCCJKQPMBI-UHFFFAOYSA-N 1 0 307.393 4.042 50 0 DIAARO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000006566373 563890320 /nfs/dbraw/zinc/89/03/20/563890320.db2.gz XGHOGRQGQKPKTK-MFKMUULPSA-N 1 0 315.244 4.100 50 0 DIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccccc2)s1 ZINC000036100924 563893938 /nfs/dbraw/zinc/89/39/38/563893938.db2.gz ZNGOGRBYNVWEIA-GOSISDBHSA-N 1 0 303.471 4.248 50 0 DIAARO O[C@H](C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccccc1Cl ZINC000036395342 563898346 /nfs/dbraw/zinc/89/83/46/563898346.db2.gz ZKGAVHXHAOLNLC-HUUCEWRRSA-N 1 0 307.846 4.272 50 0 DIAARO CC[C@@H](c1nc(Cc2ccccc2Cl)no1)[NH+](CC)CC ZINC000170606727 563907668 /nfs/dbraw/zinc/90/76/68/563907668.db2.gz QDXCDWOIQJJAMG-AWEZNQCLSA-N 1 0 307.825 4.107 50 0 DIAARO c1coc(-c2nnc(C[N@H+]3CCC[C@H]3CC3CCCCC3)o2)c1 ZINC000089799880 563911333 /nfs/dbraw/zinc/91/13/33/563911333.db2.gz YXMSFIJJACEPFE-HNNXBMFYSA-N 1 0 315.417 4.264 50 0 DIAARO Cc1c[nH+]c2ccccc2c1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000076093058 563912364 /nfs/dbraw/zinc/91/23/64/563912364.db2.gz BPHDXWMFWVUIIF-LJQANCHMSA-N 1 0 322.383 4.260 50 0 DIAARO CC[N@H+](C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000000394300 563915481 /nfs/dbraw/zinc/91/54/81/563915481.db2.gz JSJVWKXWADJMAF-UHFFFAOYSA-N 1 0 308.425 4.241 50 0 DIAARO CCCC[C@H](CC)CC[NH2+][C@@H]1CCC[C@@H]([S@](=O)CC)C1 ZINC000252476966 563915830 /nfs/dbraw/zinc/91/58/30/563915830.db2.gz FUCBSMQHBJPZGH-TVKQPGBESA-N 1 0 301.540 4.262 50 0 DIAARO O[C@H](C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccccc1Cl ZINC000058562874 563924040 /nfs/dbraw/zinc/92/40/40/563924040.db2.gz OZDUOFPLUCZIBS-ZWKOTPCHSA-N 1 0 301.817 4.211 50 0 DIAARO Fc1cccc(COc2ccc(C[NH2+]Cc3ccncc3)cc2)c1 ZINC000073051262 563924170 /nfs/dbraw/zinc/92/41/70/563924170.db2.gz WDIAOLCNZFOJBO-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO Cc1cnc([C@@H](C)[NH2+]CCn2ccc3cc(Cl)ccc32)s1 ZINC000253418882 563925131 /nfs/dbraw/zinc/92/51/31/563925131.db2.gz CBRYUDRGUZEWIM-GFCCVEGCSA-N 1 0 319.861 4.410 50 0 DIAARO CC(C)CC[C@H](CC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000002343038 563926142 /nfs/dbraw/zinc/92/61/42/563926142.db2.gz WLFDIVSMVXWZBA-MRXNPFEDSA-N 1 0 303.446 4.421 50 0 DIAARO C[C@@H]1[C@H](c2ccc(F)cc2)[NH2+][C@@H](c2ccc(F)cc2)C[C@]1(C)O ZINC000253500971 563926575 /nfs/dbraw/zinc/92/65/75/563926575.db2.gz DATTYGUWMMPCKZ-HDBZGKQISA-N 1 0 317.379 4.128 50 0 DIAARO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000095423054 563931342 /nfs/dbraw/zinc/93/13/42/563931342.db2.gz GKSBXOPABQKIBV-YVEFUNNKSA-N 1 0 323.358 4.268 50 0 DIAARO c1ccc([C@H]2C[N@@H+](C[C@@H]3CCCCO3)Cc3ccccc32)cc1 ZINC000095947996 563932074 /nfs/dbraw/zinc/93/20/74/563932074.db2.gz BIWSCYRZAJFDGR-PZJWPPBQSA-N 1 0 307.437 4.203 50 0 DIAARO Cc1ncn(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1C ZINC000095951106 563932186 /nfs/dbraw/zinc/93/21/86/563932186.db2.gz QBGMKQFAVZYDFL-UHFFFAOYSA-N 1 0 310.397 4.086 50 0 DIAARO Cc1nnc([C@@H](C)[NH2+]CC2(c3cccc(C)c3)CCCCC2)o1 ZINC000095958779 563932362 /nfs/dbraw/zinc/93/23/62/563932362.db2.gz HSJONVPTOFRTOI-OAHLLOKOSA-N 1 0 313.445 4.239 50 0 DIAARO Cc1ccccc1[C@@H]([NH2+]Cc1nccn1C)C1CCC(C)CC1 ZINC000095958896 563932380 /nfs/dbraw/zinc/93/23/80/563932380.db2.gz UVAAQQSRCUAWEL-LAGYLCCXSA-N 1 0 311.473 4.386 50 0 DIAARO Cc1csc(C2([NH2+]CCOc3cccc(C)c3)CCCC2)n1 ZINC000095962973 563932563 /nfs/dbraw/zinc/93/25/63/563932563.db2.gz MUTWFIRMDNUPSE-UHFFFAOYSA-N 1 0 316.470 4.198 50 0 DIAARO C[C@H](NCc1cccc(O)c1)c1cc(Br)ccc1F ZINC000095967596 563932895 /nfs/dbraw/zinc/93/28/95/563932895.db2.gz ULPIAKIJQIHZML-JTQLQIEISA-N 1 0 324.193 4.145 50 0 DIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2ccsc2)c1 ZINC000095968798 563933142 /nfs/dbraw/zinc/93/31/42/563933142.db2.gz QJKHZCDCKGKKQP-CHWSQXEVSA-N 1 0 302.443 4.161 50 0 DIAARO Cn1ccc([C@H]([NH2+]CCC2=CCCCC2)c2ccc(F)cc2)n1 ZINC000095986427 563934195 /nfs/dbraw/zinc/93/41/95/563934195.db2.gz SKMUVXSMIUBKQN-LJQANCHMSA-N 1 0 313.420 4.129 50 0 DIAARO C[C@H]([NH2+][C@H](c1cnn(C)c1)C(C)(C)C)c1ccc(F)cc1F ZINC000095986421 563934217 /nfs/dbraw/zinc/93/42/17/563934217.db2.gz JHEZRMXBVUXTNG-MEDUHNTESA-N 1 0 307.388 4.136 50 0 DIAARO CCC[C@@]1(CC[NH2+][C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 ZINC000096115343 563935400 /nfs/dbraw/zinc/93/54/00/563935400.db2.gz UWNBQNKLNFHFPE-VQIMIIECSA-N 1 0 311.510 4.299 50 0 biogenic DIAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CCCCCCC2)c1C ZINC000002639146 563939946 /nfs/dbraw/zinc/93/99/46/563939946.db2.gz IPDRRIRBRBECHD-LJQANCHMSA-N 1 0 319.489 4.054 50 0 DIAARO Cc1nn(-c2ccccc2)c(-c2ccccc2)[n+]1-c1ccccc1 ZINC000003078648 563941939 /nfs/dbraw/zinc/94/19/39/563941939.db2.gz OLOFHQRQXVIAOW-UHFFFAOYSA-N 1 0 312.396 4.124 50 0 DIAARO CC[NH+](CC)[C@@H](c1nnc(-c2ccc(C)cc2)o1)c1ccccc1 ZINC000003127285 563942252 /nfs/dbraw/zinc/94/22/52/563942252.db2.gz ANIUZNKDWOMHQI-GOSISDBHSA-N 1 0 321.424 4.476 50 0 DIAARO Fc1ccccc1-c1c[n+](-c2ccccc2)c2n1CCCS2 ZINC000003229495 563943025 /nfs/dbraw/zinc/94/30/25/563943025.db2.gz DPXCADZIPUVLBK-UHFFFAOYSA-N 1 0 311.405 4.067 50 0 DIAARO O=C(CCc1ccccc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031621140 563944580 /nfs/dbraw/zinc/94/45/80/563944580.db2.gz BHSVZRCNFZVZNS-UHFFFAOYSA-N 1 0 322.452 4.244 50 0 DIAARO C[C@@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1ccccc1)C1CC1 ZINC000032090143 563945393 /nfs/dbraw/zinc/94/53/93/563945393.db2.gz LWNXYDKNRVFMAG-AZUAARDMSA-N 1 0 301.474 4.292 50 0 DIAARO Cc1cccc(CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000670462758 563945466 /nfs/dbraw/zinc/94/54/66/563945466.db2.gz LDGCOBSABPMBCM-INIZCTEOSA-N 1 0 300.833 4.075 50 0 DIAARO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000038151515 563946624 /nfs/dbraw/zinc/94/66/24/563946624.db2.gz WKBJWURPBIOZIL-AWEZNQCLSA-N 1 0 314.404 4.238 50 0 DIAARO CC(C)(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000067249458 563948909 /nfs/dbraw/zinc/94/89/09/563948909.db2.gz FLHWKJSYNAZCEN-UHFFFAOYSA-N 1 0 320.440 4.070 50 0 DIAARO Cc1cc(C)c2[nH]c(C)c(C[N@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008571816 563949173 /nfs/dbraw/zinc/94/91/73/563949173.db2.gz HIKJOZYVKHZBAC-UHFFFAOYSA-N 1 0 320.436 4.498 50 0 DIAARO Cc1cc(Cl)cc2c(=O)c(C[N@H+]3CCC[C@@H](C)C3)c(C)[nH]c12 ZINC000008717236 563950179 /nfs/dbraw/zinc/95/01/79/563950179.db2.gz LPQUMQQVSVZBHI-LLVKDONJSA-N 1 0 318.848 4.443 50 0 DIAARO CCOCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000009476622 563956250 /nfs/dbraw/zinc/95/62/50/563956250.db2.gz XKEXYGWSIBYNJN-UHFFFAOYSA-N 1 0 314.212 4.380 50 0 DIAARO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009516829 563956620 /nfs/dbraw/zinc/95/66/20/563956620.db2.gz BPOLBYLBIPESAE-KSSFIOAISA-N 1 0 314.404 4.284 50 0 DIAARO Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccccc1)C(C)C ZINC000009726809 563957565 /nfs/dbraw/zinc/95/75/65/563957565.db2.gz OOAATTVHJAJZPU-UHFFFAOYSA-N 1 0 310.441 4.153 50 0 DIAARO CCCCN1C(=O)C2=C(CCCC2)[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000009762094 563957855 /nfs/dbraw/zinc/95/78/55/563957855.db2.gz LXUSKGIXOLRPLI-ILRDRHFLSA-N 1 0 318.505 4.240 50 0 DIAARO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c(C)c1 ZINC000010311237 563958565 /nfs/dbraw/zinc/95/85/65/563958565.db2.gz MWSWUAXLZHIFBQ-LJQANCHMSA-N 1 0 322.452 4.387 50 0 DIAARO O=C(O[C@H](CC[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000001728951 568417211 /nfs/dbraw/zinc/41/72/11/568417211.db2.gz QQSUYISWMCTZMC-HXUWFJFHSA-N 1 0 323.436 4.461 50 0 DIAARO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCCCCCC1)c1ccccc1 ZINC000089621640 568420275 /nfs/dbraw/zinc/42/02/75/568420275.db2.gz YSGQFGKEAWYDDJ-IBGZPJMESA-N 1 0 316.489 4.156 50 0 DIAARO Cc1cc(OCCOCC[N@@H+]2CCC[C@H](C)C2)cc(C(C)C)c1 ZINC000002822126 1040115576 /nfs/dbraw/zinc/11/55/76/1040115576.db2.gz VAIUUVUTDWTVGW-KRWDZBQOSA-N 1 0 319.489 4.246 50 0 DIAARO COc1ccc(F)cc1C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194964462 1040735470 /nfs/dbraw/zinc/73/54/70/1040735470.db2.gz GIOFKEALVUMFLJ-QGZVFWFLSA-N 1 0 315.388 4.010 50 0 DIAARO CC(C)[N@@H+]1C[C@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257178184 1041546080 /nfs/dbraw/zinc/54/60/80/1041546080.db2.gz ZFPDNOSOFVYTPI-MRXNPFEDSA-N 1 0 311.429 4.105 50 0 DIAARO O[C@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004977892 1042120091 /nfs/dbraw/zinc/12/00/91/1042120091.db2.gz DLJIWGXIMPFJLY-INIZCTEOSA-N 1 0 317.816 4.089 50 0 DIAARO COc1cccc(CC2CC[NH+]([C@H](C)c3cc(C)on3)CC2)c1 ZINC000585084908 1042206555 /nfs/dbraw/zinc/20/65/55/1042206555.db2.gz HJQXEWJWJNSVEH-OAHLLOKOSA-N 1 0 314.429 4.007 50 0 DIAARO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000239527641 1042387962 /nfs/dbraw/zinc/38/79/62/1042387962.db2.gz ATOQGYVKUHKFHI-GDIGMMSISA-N 1 0 314.473 4.381 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cccc(Cl)c1Cl ZINC000248087836 1042437480 /nfs/dbraw/zinc/43/74/80/1042437480.db2.gz SXXGGFSUGFMPFD-APHBMKBZSA-N 1 0 314.256 4.291 50 0 DIAARO Cc1noc(C)c1CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000052045941 1042463208 /nfs/dbraw/zinc/46/32/08/1042463208.db2.gz HMIOMPGKWPZXJE-UHFFFAOYSA-N 1 0 324.346 4.475 50 0 DIAARO CCCCn1c[n+](CCCOc2ccccc2)c2ccccc21 ZINC000252485396 1042468633 /nfs/dbraw/zinc/46/86/33/1042468633.db2.gz GTWKUQMFQYDVEZ-UHFFFAOYSA-N 1 0 309.433 4.198 50 0 DIAARO CC(C)c1cccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)n1 ZINC000131624727 1044829846 /nfs/dbraw/zinc/82/98/46/1044829846.db2.gz JGYUXSDTGOTFOC-NRFANRHFSA-N 1 0 324.468 4.077 50 0 DIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](CCCC2CCCC2)C1 ZINC000015064753 1045562344 /nfs/dbraw/zinc/56/23/44/1045562344.db2.gz TWQKJYMAXYDLPU-NRFANRHFSA-N 1 0 315.501 4.274 50 0 DIAARO c1coc(-c2cccc(C[NH2+][C@H]3COc4ccccc4C3)c2)c1 ZINC000019840745 1045579878 /nfs/dbraw/zinc/57/98/78/1045579878.db2.gz IOIBUFCDNILDOZ-GOSISDBHSA-N 1 0 305.377 4.040 50 0 DIAARO CCN(CC)c1ccc(C=[NH+][N-]c2ccc(C)cc2C)c(O)c1 ZINC000254377870 1047198872 /nfs/dbraw/zinc/19/88/72/1047198872.db2.gz KGGRAZDEULZYKC-UHFFFAOYSA-N 1 0 311.429 4.301 50 0 DIAARO c1ccc(C[C@H]2CCC[N@@H+]2Cc2cccc3cccnc32)cc1 ZINC000071794335 1049677930 /nfs/dbraw/zinc/67/79/30/1049677930.db2.gz QZPDSNOYVBCNNP-HXUWFJFHSA-N 1 0 302.421 4.442 50 0 DIAARO C[N@H+](CCC[C@H]1CCCO1)Cc1nc(-c2ccccc2)cs1 ZINC000823719823 1050156301 /nfs/dbraw/zinc/15/63/01/1050156301.db2.gz JZEXEJKHQTZYCC-INIZCTEOSA-N 1 0 316.470 4.201 50 0 DIAARO Cc1ccc(CCC(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000828065474 1050469423 /nfs/dbraw/zinc/46/94/23/1050469423.db2.gz JLEGNHXUXNXOJC-UHFFFAOYSA-N 1 0 322.452 4.162 50 0 DIAARO Cc1cnc([C@H]2CC[N@H+](Cc3ccc(C)c(C)c3)C2)n1C(C)C ZINC000169791421 1050907235 /nfs/dbraw/zinc/90/72/35/1050907235.db2.gz VDHHZFXHQYXSLW-IBGZPJMESA-N 1 0 311.473 4.379 50 0 DIAARO Fc1ccc(F)c(CC[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000192925794 1051012310 /nfs/dbraw/zinc/01/23/10/1051012310.db2.gz KINMFYZKMYUAMY-GOSISDBHSA-N 1 0 302.368 4.044 50 0 DIAARO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000952965061 1051123033 /nfs/dbraw/zinc/12/30/33/1051123033.db2.gz BNXAMXWYASBRLG-KRWDZBQOSA-N 1 0 320.440 4.077 50 0 DIAARO Cc1ccc(CNC[C@H](c2ccccc2)[NH+]2CCCCCC2)nc1 ZINC000952979935 1051123943 /nfs/dbraw/zinc/12/39/43/1051123943.db2.gz DLCBIYVDUSABPN-OAQYLSRUSA-N 1 0 323.484 4.097 50 0 DIAARO Cc1ccc(CNC[C@@H](c2ccccc2)[NH+]2CCCCCC2)nc1 ZINC000952979904 1051124134 /nfs/dbraw/zinc/12/41/34/1051124134.db2.gz DLCBIYVDUSABPN-NRFANRHFSA-N 1 0 323.484 4.097 50 0 DIAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC000952985242 1051126868 /nfs/dbraw/zinc/12/68/68/1051126868.db2.gz UKLYJGHBRMAYKL-ZDUSSCGKSA-N 1 0 311.816 4.476 50 0 DIAARO Cc1cnc(-c2ccccc2)n1C1C[NH+](Cc2cccc(C)c2)C1 ZINC000581808218 1051320280 /nfs/dbraw/zinc/32/02/80/1051320280.db2.gz ZWUYZBZIOUHGFO-UHFFFAOYSA-N 1 0 317.436 4.224 50 0 DIAARO C(C[C@H]1CCOC2(CC[NH+](C3CCCC3)CC2)C1)OCC1CC1 ZINC000581810792 1051321435 /nfs/dbraw/zinc/32/14/35/1051321435.db2.gz ADPZEVOUQKNJFI-KRWDZBQOSA-N 1 0 321.505 4.007 50 0 DIAARO Cc1ccc(C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)o1 ZINC000179618928 1057753088 /nfs/dbraw/zinc/75/30/88/1057753088.db2.gz ZMCGLXJYQQDIFB-UHFFFAOYSA-N 1 0 322.408 4.194 50 0 DIAARO CCOc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)ccc1OC ZINC000823364530 1057826991 /nfs/dbraw/zinc/82/69/91/1057826991.db2.gz JCTVLHBCLHHSOQ-IAGOWNOFSA-N 1 0 303.446 4.249 50 0 DIAARO CCCO[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001529126084 1058617843 /nfs/dbraw/zinc/61/78/43/1058617843.db2.gz WTLCWWOXIQHMGM-MRXNPFEDSA-N 1 0 315.379 4.405 50 0 DIAARO Cc1ncsc1C[N@@H+](C)C[C@]1(c2ccccc2)CC1(C)C ZINC001529162074 1058628070 /nfs/dbraw/zinc/62/80/70/1058628070.db2.gz UJAQRLOOPRRDOF-SFHVURJKSA-N 1 0 300.471 4.251 50 0 DIAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC001506407583 1063506588 /nfs/dbraw/zinc/50/65/88/1063506588.db2.gz SXAORFQSYLNKRO-INIZCTEOSA-N 1 0 324.468 4.059 50 0 DIAARO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cc(C)ccn3)CC2)cc1 ZINC001506415314 1063508616 /nfs/dbraw/zinc/50/86/16/1063508616.db2.gz WQHJPJBPSJYOBW-KRWDZBQOSA-N 1 0 309.457 4.018 50 0 DIAARO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)c3C)CC2)cn1 ZINC001506424737 1063509745 /nfs/dbraw/zinc/50/97/45/1063509745.db2.gz MXJPKJVVHQMUBU-GOSISDBHSA-N 1 0 323.484 4.326 50 0 DIAARO Cc1ccc(N2CCC([NH2+]C/C=C/c3ccccc3)CC2)cc1 ZINC001506420992 1063510875 /nfs/dbraw/zinc/51/08/75/1063510875.db2.gz MWLYSGPEKQYSQZ-VMPITWQZSA-N 1 0 306.453 4.267 50 0 DIAARO Cc1cc(N(C)CC[C@@H]2CCCCO2)c2cc(F)ccc2[nH+]1 ZINC001506420013 1063511532 /nfs/dbraw/zinc/51/15/32/1063511532.db2.gz QKSYHLDUFFIVCP-HNNXBMFYSA-N 1 0 302.393 4.078 50 0 DIAARO COc1cc2c(cc1OC)[C@@H]1C[C@H](c3ccccc3)CC[N@@H+]1CC2 ZINC000095561610 185379984 /nfs/dbraw/zinc/37/99/84/185379984.db2.gz SPYSWTOTYSJXHH-APWZRJJASA-N 1 0 323.436 4.181 50 0 DIAARO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(-n2cncn2)cc1 ZINC000095419439 185359975 /nfs/dbraw/zinc/35/99/75/185359975.db2.gz XHGVELINQZDQBJ-GUYCJALGSA-N 1 0 324.453 4.057 50 0 DIAARO Cc1cccnc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000095422102 185360634 /nfs/dbraw/zinc/36/06/34/185360634.db2.gz ATJCRCFKBSDNMG-OAHLLOKOSA-N 1 0 302.805 4.047 50 0 DIAARO CCCc1noc(-c2cccc(C[NH2+][C@H](C)c3ccco3)c2)n1 ZINC000095421659 185360782 /nfs/dbraw/zinc/36/07/82/185360782.db2.gz UAGPZEYNMCUVAX-CYBMUJFWSA-N 1 0 311.385 4.133 50 0 DIAARO CCCc1noc(-c2cccc(C[NH2+][C@@H](C)c3ccco3)c2)n1 ZINC000095421658 185360909 /nfs/dbraw/zinc/36/09/09/185360909.db2.gz UAGPZEYNMCUVAX-ZDUSSCGKSA-N 1 0 311.385 4.133 50 0 DIAARO CC[C@H]([NH2+]Cc1scnc1C)c1ccc(OC(F)F)cc1 ZINC000095421962 185360969 /nfs/dbraw/zinc/36/09/69/185360969.db2.gz BIKYMOHKIHIPBP-ZDUSSCGKSA-N 1 0 312.385 4.294 50 0 DIAARO Cc1cnc([C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C2CC2)s1 ZINC000095423344 185361192 /nfs/dbraw/zinc/36/11/92/185361192.db2.gz YJBLNPFFWYQZFC-HOTGVXAUSA-N 1 0 302.418 4.319 50 0 DIAARO CC(C)C[C@@H]([NH2+]C1CCN(Cc2cscn2)CC1)C(C)(C)C ZINC000095462762 185371178 /nfs/dbraw/zinc/37/11/78/185371178.db2.gz KRVLSTDMBIGIQJ-QGZVFWFLSA-N 1 0 323.550 4.158 50 0 DIAARO CC(C)Cc1ncc(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)s1 ZINC000097020286 185398130 /nfs/dbraw/zinc/39/81/30/185398130.db2.gz VXBVVYIZJQXZAU-SCLBCKFNSA-N 1 0 300.471 4.365 50 0 DIAARO CC(C)Cc1ncc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)s1 ZINC000097020289 185398132 /nfs/dbraw/zinc/39/81/32/185398132.db2.gz VXBVVYIZJQXZAU-UGSOOPFHSA-N 1 0 300.471 4.365 50 0 DIAARO COc1ccc(/C=C/C[N@@H+]2CCCC[C@H]2c2ccccn2)cc1 ZINC000072133842 191047061 /nfs/dbraw/zinc/04/70/61/191047061.db2.gz MKHGNXKQEPSPOG-YJJPMGAVSA-N 1 0 308.425 4.331 50 0 DIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000072115907 191037471 /nfs/dbraw/zinc/03/74/71/191037471.db2.gz QBEPVZBWCMZTGM-INIZCTEOSA-N 1 0 323.868 4.116 50 0 DIAARO c1ccc(-c2ccccc2C[NH+]2CC(c3cccnc3)C2)cc1 ZINC000072164213 191063539 /nfs/dbraw/zinc/06/35/39/191063539.db2.gz SAKCDFRODNPUDR-UHFFFAOYSA-N 1 0 300.405 4.348 50 0 DIAARO CCc1ncc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)cn1 ZINC000072423656 191157846 /nfs/dbraw/zinc/15/78/46/191157846.db2.gz RQWBMCOQEHIQOU-IBGZPJMESA-N 1 0 309.457 4.026 50 0 DIAARO c1ccc(Oc2ccc3c(c2)c2c4n3CC[NH2+][C@H]4CCC2)cc1 ZINC000000282318 180746624 /nfs/dbraw/zinc/74/66/24/180746624.db2.gz ISANZSNJQZJFID-SFHVURJKSA-N 1 0 304.393 4.414 50 0 DIAARO OC(CCC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000000968266 180838259 /nfs/dbraw/zinc/83/82/59/180838259.db2.gz OGAKLTJNUQRZJU-UHFFFAOYSA-N 1 0 309.453 4.189 50 0 world DIAARO C[NH+](C)CCSC(=O)N(c1ccccc1)c1ccccc1 ZINC000002016716 180906199 /nfs/dbraw/zinc/90/61/99/180906199.db2.gz VPYBPZFIOYLTHK-UHFFFAOYSA-N 1 0 300.427 4.240 50 0 DIAARO CC[C@H](C)[NH2+]CCCCOc1ccc(C)cc1Br ZINC000002822396 180961029 /nfs/dbraw/zinc/96/10/29/180961029.db2.gz RCYZEORMZUOXFW-ZDUSSCGKSA-N 1 0 314.267 4.305 50 0 DIAARO Brc1ccc(OCCCC[NH2+]C2CCCC2)cc1 ZINC000002845051 180962995 /nfs/dbraw/zinc/96/29/95/180962995.db2.gz UBQLDRIJABXBDK-UHFFFAOYSA-N 1 0 312.251 4.140 50 0 DIAARO C[C@H]([NH2+]C1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003376097 181012726 /nfs/dbraw/zinc/01/27/26/181012726.db2.gz NPKCKQSBTBEGPW-JTQLQIEISA-N 1 0 315.244 4.243 50 0 DIAARO Cc1ccc(C(=O)[C@@H](Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000003384305 181014021 /nfs/dbraw/zinc/01/40/21/181014021.db2.gz LSFGKUCFFMPDOS-HXUWFJFHSA-N 1 0 307.437 4.275 50 0 DIAARO Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000003982790 181059809 /nfs/dbraw/zinc/05/98/09/181059809.db2.gz YSTAPDGDOHWKQR-CEWLAPEOSA-N 1 0 311.469 4.251 50 0 in-vivo DIAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O ZINC000004162261 181079576 /nfs/dbraw/zinc/07/95/76/181079576.db2.gz LDCYUQWOTSEZCL-JSXRDJHFSA-N 1 0 309.453 4.486 50 0 DIAARO O[C@H]1CCCc2c(NCc3ccccc3)c3ccccc3[nH+]c21 ZINC000004293812 181093673 /nfs/dbraw/zinc/09/36/73/181093673.db2.gz OWMPJXBRNFEZDD-SFHVURJKSA-N 1 0 304.393 4.217 50 0 DIAARO c1csc(COc2ccc(C[NH2+]Cc3cccnc3)cc2)c1 ZINC000004413544 181108205 /nfs/dbraw/zinc/10/82/05/181108205.db2.gz IUHUTTRDPJPGER-UHFFFAOYSA-N 1 0 310.422 4.012 50 0 DIAARO C[C@@H](C[N@H+]1CC=CCC1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000004582612 181126826 /nfs/dbraw/zinc/12/68/26/181126826.db2.gz JRLONDNYHCBKKH-UGKGYDQZSA-N 1 0 321.464 4.015 50 0 DIAARO O=C(Nc1ccc(Cl)cc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004577400 181126883 /nfs/dbraw/zinc/12/68/83/181126883.db2.gz GRDMMPXVOYPCJQ-XJKSGUPXSA-N 1 0 322.836 4.153 50 0 biogenic DIAARO Clc1cccc(CN2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000004703435 181139774 /nfs/dbraw/zinc/13/97/74/181139774.db2.gz OKJOUUDDHLNKIV-UHFFFAOYSA-N 1 0 306.881 4.180 50 0 DIAARO CCOc1ccccc1CNc1[nH+]cc(-c2ccccc2)n1C ZINC000004678349 181135557 /nfs/dbraw/zinc/13/55/57/181135557.db2.gz DSBPAIXIKUZCTC-UHFFFAOYSA-N 1 0 307.397 4.098 50 0 DIAARO CC[n+]1c(/C=C\c2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000004792114 181152251 /nfs/dbraw/zinc/15/22/51/181152251.db2.gz VSUZGFBLMYYYRF-YFHOEESVSA-N 1 0 304.369 4.046 50 0 DIAARO Fc1ccccc1OCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004833798 181159199 /nfs/dbraw/zinc/15/91/99/181159199.db2.gz IJGDEFBSWFWQJY-UHFFFAOYSA-N 1 0 313.416 4.159 50 0 DIAARO CCC[NH+]1CCC(NC2c3ccccc3-c3ccccc32)CC1 ZINC000004834326 181159230 /nfs/dbraw/zinc/15/92/30/181159230.db2.gz XDJASFMZCNJRBH-UHFFFAOYSA-N 1 0 306.453 4.220 50 0 DIAARO CC1(C)C[C@H]([NH2+]CC[C@@H](c2ccco2)c2ccccc2)CCO1 ZINC000004834885 181159360 /nfs/dbraw/zinc/15/93/60/181159360.db2.gz MTBSKVFOKRVVFD-QZTJIDSGSA-N 1 0 313.441 4.349 50 0 DIAARO COc1ccc(C[NH2+]Cc2c(OC)ccc3ccccc32)cc1 ZINC000004842968 181161878 /nfs/dbraw/zinc/16/18/78/181161878.db2.gz YFSOKXBLVFVBGI-UHFFFAOYSA-N 1 0 307.393 4.147 50 0 DIAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2cccc(Cl)c2Cl)C1 ZINC000004906437 181171476 /nfs/dbraw/zinc/17/14/76/181171476.db2.gz YMHIDQHPRVTLET-VXGBXAGGSA-N 1 0 302.245 4.350 50 0 DIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000004906271 181171493 /nfs/dbraw/zinc/17/14/93/181171493.db2.gz OJXUTEQKYARIAE-TXEJJXNPSA-N 1 0 302.245 4.350 50 0 DIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cccc(Cl)c2Cl)C1 ZINC000004906431 181171509 /nfs/dbraw/zinc/17/15/09/181171509.db2.gz YMHIDQHPRVTLET-TXEJJXNPSA-N 1 0 302.245 4.350 50 0 DIAARO c1ccc2c(c1)cccc2CN1CCC([NH+]2CCCCC2)CC1 ZINC000004986664 181185051 /nfs/dbraw/zinc/18/50/51/181185051.db2.gz QZKNRVJRDBPXLO-UHFFFAOYSA-N 1 0 308.469 4.290 50 0 DIAARO Clc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000004989434 181186004 /nfs/dbraw/zinc/18/60/04/181186004.db2.gz NQBDQXKOFMTXFA-UHFFFAOYSA-N 1 0 314.860 4.094 50 0 DIAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000005019666 181191678 /nfs/dbraw/zinc/19/16/78/181191678.db2.gz JECMAQHRGPXLNK-ZDUSSCGKSA-N 1 0 305.443 4.224 50 0 DIAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000005019661 181191854 /nfs/dbraw/zinc/19/18/54/181191854.db2.gz JECMAQHRGPXLNK-CYBMUJFWSA-N 1 0 305.443 4.224 50 0 DIAARO O=C(c1ccccc1)c1cc[n+](Cc2cccc3ccccc32)cc1 ZINC000005102100 181203776 /nfs/dbraw/zinc/20/37/76/181203776.db2.gz NCYDFLGASGJIGX-UHFFFAOYSA-N 1 0 324.403 4.407 50 0 DIAARO Cc1ccc(-c2cnn3c2nc(C)cc3Nc2cc[nH+]cc2)cc1 ZINC000005324664 181229507 /nfs/dbraw/zinc/22/95/07/181229507.db2.gz JBFQDWNSDGDOMO-UHFFFAOYSA-N 1 0 315.380 4.152 50 0 DIAARO Cc1cc2oc(=O)cc(C[NH2+][C@H]3CCCC[C@H]3C)c2cc1Cl ZINC000006552424 181353231 /nfs/dbraw/zinc/35/32/31/181353231.db2.gz KFVKPVKLMZZWSZ-BZNIZROVSA-N 1 0 319.832 4.423 50 0 DIAARO FC(F)Oc1ccc2ccccc2c1C[NH2+]Cc1cccnc1 ZINC000006650859 181365256 /nfs/dbraw/zinc/36/52/56/181365256.db2.gz BJSFOYLHJCKNAB-UHFFFAOYSA-N 1 0 314.335 4.126 50 0 DIAARO COc1cc(OC)c(OC)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000006701090 181372661 /nfs/dbraw/zinc/37/26/61/181372661.db2.gz RBAYOQLGBBOTSP-UHFFFAOYSA-N 1 0 309.450 4.017 50 0 DIAARO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CCCCC1 ZINC000006784326 181387912 /nfs/dbraw/zinc/38/79/12/181387912.db2.gz RIZFCRPLEUZDRK-UHFFFAOYSA-N 1 0 315.244 4.196 50 0 DIAARO Fc1ccc(Cn2c[n+](Cc3ccccc3)c3ccccc32)cc1 ZINC000252499224 202853731 /nfs/dbraw/zinc/85/37/31/202853731.db2.gz RXNBWGPDNIODIS-UHFFFAOYSA-N 1 0 317.387 4.165 50 0 DIAARO Cc1c[nH]c(C[N@H+](Cc2ccc3[nH]ccc3c2)C2CC2)c(C)c1=O ZINC000253537037 202896766 /nfs/dbraw/zinc/89/67/66/202896766.db2.gz VAIAODZPLGVXBD-UHFFFAOYSA-N 1 0 321.424 4.050 50 0 DIAARO C[NH+](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253596268 202901818 /nfs/dbraw/zinc/90/18/18/202901818.db2.gz PGNZHBZWAAFCJR-PRDKCSMWSA-N 1 0 317.517 4.240 50 0 DIAARO CC[NH2+]Cc1ccccc1NC(=O)CCc1ccc(Cl)s1 ZINC000095971509 193468077 /nfs/dbraw/zinc/46/80/77/193468077.db2.gz ORAGSBDVUPSYOZ-UHFFFAOYSA-N 1 0 322.861 4.082 50 0 DIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012576588 181778723 /nfs/dbraw/zinc/77/87/23/181778723.db2.gz PSMKLRGHGIWZSP-OAHLLOKOSA-N 1 0 317.816 4.336 50 0 DIAARO CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C2CCCCC2)C[C@H]1C ZINC000013635203 181870894 /nfs/dbraw/zinc/87/08/94/181870894.db2.gz YHAZEJUWPWABOU-UZLBHIALSA-N 1 0 315.457 4.120 50 0 DIAARO Cc1cc(C)c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1C ZINC000015581075 182007631 /nfs/dbraw/zinc/00/76/31/182007631.db2.gz JCBZCPAXXFLZMS-UHFFFAOYSA-N 1 0 322.452 4.028 50 0 DIAARO Cc1cc(C)c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000015580798 182007803 /nfs/dbraw/zinc/00/78/03/182007803.db2.gz UXMRLSLFTUQFEI-UHFFFAOYSA-N 1 0 322.452 4.028 50 0 DIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)cc1 ZINC000015836892 182020603 /nfs/dbraw/zinc/02/06/03/182020603.db2.gz SUTDMLYAURSCEX-SFHVURJKSA-N 1 0 303.352 4.311 50 0 DIAARO CCCC[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000016476498 182046468 /nfs/dbraw/zinc/04/64/68/182046468.db2.gz JEHJREMUJUWUKU-LJQANCHMSA-N 1 0 310.441 4.407 50 0 DIAARO Cc1ccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)s1 ZINC000019221733 182108354 /nfs/dbraw/zinc/10/83/54/182108354.db2.gz RVQPGZYZBOXTSA-CYBMUJFWSA-N 1 0 324.453 4.068 50 0 DIAARO c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019536704 182129375 /nfs/dbraw/zinc/12/93/75/182129375.db2.gz VNQAHNFMWPAXAO-UHFFFAOYSA-N 1 0 302.421 4.162 50 0 DIAARO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000019744035 182142029 /nfs/dbraw/zinc/14/20/29/182142029.db2.gz WMGVBQPNJUDNKT-MRXNPFEDSA-N 1 0 318.848 4.367 50 0 DIAARO CCc1ccc(CN2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019842400 182156063 /nfs/dbraw/zinc/15/60/63/182156063.db2.gz DRAYXIURALWLCR-UHFFFAOYSA-N 1 0 300.490 4.089 50 0 DIAARO CSc1ccc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019842566 182156113 /nfs/dbraw/zinc/15/61/13/182156113.db2.gz ZWAUGLACBVVYJK-WMZOPIPTSA-N 1 0 318.530 4.105 50 0 DIAARO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@@H](O)c1ccccc1 ZINC000019872194 182159211 /nfs/dbraw/zinc/15/92/11/182159211.db2.gz JHYSENDMFUMZPU-MEDUHNTESA-N 1 0 310.224 4.205 50 0 DIAARO Clc1ccc(CC[NH2+]Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000019891587 182160932 /nfs/dbraw/zinc/16/09/32/182160932.db2.gz DGTZMWIAMMACJX-UHFFFAOYSA-N 1 0 324.207 4.054 50 0 DIAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)cc1 ZINC000019957876 182170106 /nfs/dbraw/zinc/17/01/06/182170106.db2.gz BEIYDKMKDJZYSU-QGZVFWFLSA-N 1 0 312.800 4.065 50 0 DIAARO COc1cccc([C@H]2CCCC[N@@H+]2CCc2c(C)noc2C)c1 ZINC000020205225 182197833 /nfs/dbraw/zinc/19/78/33/182197833.db2.gz CPGRFJGSNWZUNQ-LJQANCHMSA-N 1 0 314.429 4.070 50 0 DIAARO CC(C)CC[C@@H](CC[NH2+]CCN(C)C)c1ccc(Cl)cc1 ZINC000020573011 182234192 /nfs/dbraw/zinc/23/41/92/182234192.db2.gz DUVJODRJCXSKDJ-KRWDZBQOSA-N 1 0 310.913 4.401 50 0 DIAARO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)Cc2ccc(Cl)cc2)n1 ZINC000020515130 182226559 /nfs/dbraw/zinc/22/65/59/182226559.db2.gz UXVQOURBLIWGRB-RYUDHWBXSA-N 1 0 307.825 4.128 50 0 DIAARO COC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000097698931 193748961 /nfs/dbraw/zinc/74/89/61/193748961.db2.gz AONLPSRLZHQUCE-MRXNPFEDSA-N 1 0 301.455 4.416 50 0 DIAARO C[C@](O)(c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868832 182250700 /nfs/dbraw/zinc/25/07/00/182250700.db2.gz PZNFAGWWJOUVAD-RTWAWAEBSA-N 1 0 309.453 4.164 50 0 DIAARO CCc1oc2ccccc2c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020936544 182255183 /nfs/dbraw/zinc/25/51/83/182255183.db2.gz JCKSPZGOLRINTR-UHFFFAOYSA-N 1 0 309.365 4.014 50 0 DIAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2Cl)cc(OC)c1 ZINC000021805805 182291403 /nfs/dbraw/zinc/29/14/03/182291403.db2.gz PNTUBSGNYJMLHX-LBPRGKRZSA-N 1 0 305.805 4.208 50 0 DIAARO CC(C)=CCC[C@@H](C)C[N@H+](CCN(C)C)Cc1ccccc1 ZINC000022044964 182306417 /nfs/dbraw/zinc/30/64/17/182306417.db2.gz YMEHPXXLAHOSLR-LJQANCHMSA-N 1 0 302.506 4.433 50 0 DIAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)o1 ZINC000022077571 182308366 /nfs/dbraw/zinc/30/83/66/182308366.db2.gz NFIBEWIPQQQQIE-ZDUSSCGKSA-N 1 0 315.413 4.163 50 0 DIAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)o1 ZINC000022077573 182308535 /nfs/dbraw/zinc/30/85/35/182308535.db2.gz NFIBEWIPQQQQIE-CYBMUJFWSA-N 1 0 315.413 4.163 50 0 DIAARO C(C1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000022587874 182327512 /nfs/dbraw/zinc/32/75/12/182327512.db2.gz GBNBYPBMSVRMBX-UXHICEINSA-N 1 0 304.522 4.296 50 0 DIAARO FC(F)Oc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000022771603 182334060 /nfs/dbraw/zinc/33/40/60/182334060.db2.gz UITGVJCZWMWDFY-UHFFFAOYSA-N 1 0 316.351 4.102 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(Cl)cc1Cl ZINC000022781689 182334286 /nfs/dbraw/zinc/33/42/86/182334286.db2.gz MFCPDRXLSFEJIH-VNQPRFMTSA-N 1 0 314.256 4.291 50 0 DIAARO CC[C@H]1CCCC[N@@H+]1Cc1coc2ccc(Cl)cc2c1=O ZINC000023281588 182355690 /nfs/dbraw/zinc/35/56/90/182355690.db2.gz LSPRXSACERXIGE-AWEZNQCLSA-N 1 0 305.805 4.211 50 0 DIAARO CC(C)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000023128744 182349925 /nfs/dbraw/zinc/34/99/25/182349925.db2.gz ZAHSKLVLDOWCHM-CQSZACIVSA-N 1 0 319.399 4.191 50 0 DIAARO CC[NH2+][C@H](C(=O)c1c[nH]c2c1cccc2CC)c1ccccc1 ZINC000023425273 182360477 /nfs/dbraw/zinc/36/04/77/182360477.db2.gz AAUMWNSHXIIZSU-IBGZPJMESA-N 1 0 306.409 4.264 50 0 DIAARO Cc1ccccc1C[NH+]1CCC(Cn2cnc3ccccc32)CC1 ZINC000036708857 182836680 /nfs/dbraw/zinc/83/66/80/182836680.db2.gz XVZKJFFBORDXMU-UHFFFAOYSA-N 1 0 319.452 4.257 50 0 DIAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2OC)no1 ZINC000040024617 183028056 /nfs/dbraw/zinc/02/80/56/183028056.db2.gz CICDZHYCOYFBDZ-AWEZNQCLSA-N 1 0 300.402 4.115 50 0 DIAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2OC)no1 ZINC000040024616 183028307 /nfs/dbraw/zinc/02/83/07/183028307.db2.gz CICDZHYCOYFBDZ-CQSZACIVSA-N 1 0 300.402 4.115 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000040040713 183029190 /nfs/dbraw/zinc/02/91/90/183029190.db2.gz NBSYSPUTHCUZQT-ZWKOTPCHSA-N 1 0 302.462 4.340 50 0 DIAARO Cc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769793 183021499 /nfs/dbraw/zinc/02/14/99/183021499.db2.gz GTOXLWVKYOYTEF-RTWAWAEBSA-N 1 0 312.501 4.224 50 0 DIAARO CC(C)(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2F)cc1 ZINC000040088602 183032751 /nfs/dbraw/zinc/03/27/51/183032751.db2.gz UIMQVTQYGDWWAD-SFHVURJKSA-N 1 0 319.395 4.086 50 0 DIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)ccc1C)CC(C)C ZINC000040095000 183033356 /nfs/dbraw/zinc/03/33/56/183033356.db2.gz ZVISAEGXWYRPRT-QGZVFWFLSA-N 1 0 319.493 4.181 50 0 DIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000041362961 183186531 /nfs/dbraw/zinc/18/65/31/183186531.db2.gz ILCGTASCJZFVMQ-BETUJISGSA-N 1 0 304.821 4.473 50 0 DIAARO OC1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000042734514 183302714 /nfs/dbraw/zinc/30/27/14/183302714.db2.gz HNGCEHYWJFCGST-UHFFFAOYSA-N 1 0 321.873 4.462 50 0 DIAARO Clc1cc(Cl)c(OCC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000042772317 183307292 /nfs/dbraw/zinc/30/72/92/183307292.db2.gz HSKSSGATUILFKU-VIFPVBQESA-N 1 0 308.636 4.415 50 0 DIAARO Clc1cc(-c2ccccc2)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042774992 183307821 /nfs/dbraw/zinc/30/78/21/183307821.db2.gz SQMCCKVIUMPBOB-AWEZNQCLSA-N 1 0 301.817 4.385 50 0 DIAARO C[C@H](c1ccc2ccccc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000056494428 184013663 /nfs/dbraw/zinc/01/36/63/184013663.db2.gz PAVLRQJLYZNNRC-QGZVFWFLSA-N 1 0 308.469 4.461 50 0 DIAARO COc1ccc2ccccc2c1C[NH2+][C@H]1CCOc2ccccc21 ZINC000057681661 184045878 /nfs/dbraw/zinc/04/58/78/184045878.db2.gz ATDOTRXJWZIZRH-IBGZPJMESA-N 1 0 319.404 4.462 50 0 DIAARO CC(C)C[NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000057692840 184046995 /nfs/dbraw/zinc/04/69/95/184046995.db2.gz UGOHHZZBWXHYKA-LJQANCHMSA-N 1 0 306.409 4.338 50 0 DIAARO C[C@H]([NH2+]Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000058164005 184083187 /nfs/dbraw/zinc/08/31/87/184083187.db2.gz RFEYJAUQEFHKPM-HNNXBMFYSA-N 1 0 310.441 4.101 50 0 DIAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)c1c[nH]c2ccccc12 ZINC000058160665 184081995 /nfs/dbraw/zinc/08/19/95/184081995.db2.gz NPKJOTVMFYXYSC-MRXNPFEDSA-N 1 0 310.422 4.249 50 0 DIAARO Clc1c2ccccc2sc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000058328260 184105643 /nfs/dbraw/zinc/10/56/43/184105643.db2.gz OWRZBSFQPPZYLN-CYBMUJFWSA-N 1 0 320.889 4.225 50 0 DIAARO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CC2CCCCC2)o1 ZINC000058430112 184117258 /nfs/dbraw/zinc/11/72/58/184117258.db2.gz WSDNHGMORNAWPA-SFHVURJKSA-N 1 0 311.429 4.058 50 0 DIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cccc(C)c1 ZINC000065154854 184312735 /nfs/dbraw/zinc/31/27/35/184312735.db2.gz GVGOBNAHCJMBGW-UHFFFAOYSA-N 1 0 305.425 4.087 50 0 DIAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064667145 184302203 /nfs/dbraw/zinc/30/22/03/184302203.db2.gz GOLBOEWXUFMOOF-KRWDZBQOSA-N 1 0 300.402 4.144 50 0 DIAARO c1coc([C@H](CC[NH2+]C2CCSCC2)c2ccccc2)c1 ZINC000065372041 184330069 /nfs/dbraw/zinc/33/00/69/184330069.db2.gz XPEKOMLODONQJS-QGZVFWFLSA-N 1 0 301.455 4.287 50 0 DIAARO CC(C)Oc1cccc(F)c1-c1ccc(C[NH+]2CCCC2)cn1 ZINC000065430862 184344306 /nfs/dbraw/zinc/34/43/06/184344306.db2.gz XGLNLHCQMDHHAZ-UHFFFAOYSA-N 1 0 314.404 4.271 50 0 DIAARO [NH3+]CCCCCn1cnc(-c2ccccc2)c1-c1ccsc1 ZINC000065461166 184349070 /nfs/dbraw/zinc/34/90/70/184349070.db2.gz IIABIUKZQVWMCU-UHFFFAOYSA-N 1 0 311.454 4.408 50 0 DIAARO CCc1cc2oc(=O)cc(C[N@@H+](C)[C@H](C)CC)c2cc1Cl ZINC000065549116 184364477 /nfs/dbraw/zinc/36/44/77/184364477.db2.gz LDSNHIKPNDJPAG-LLVKDONJSA-N 1 0 307.821 4.239 50 0 DIAARO Cc1nn(C(F)F)cc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000426504612 257248213 /nfs/dbraw/zinc/24/82/13/257248213.db2.gz PSKOXLPGHYLVBA-ZDUSSCGKSA-N 1 0 305.372 4.410 50 0 DIAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000284376814 131075497 /nfs/dbraw/zinc/07/54/97/131075497.db2.gz OMVNSLCAKYGRPD-NSHDSACASA-N 1 0 307.825 4.010 50 0 DIAARO Cc1cnn(C)c1C[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC000286405523 131234316 /nfs/dbraw/zinc/23/43/16/131234316.db2.gz HQNDWWOTMASKBB-GOSISDBHSA-N 1 0 311.429 4.270 50 0 DIAARO COc1ccccc1N1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000004981088 134466991 /nfs/dbraw/zinc/46/69/91/134466991.db2.gz OOAXGTRWFRTCCM-SFHVURJKSA-N 1 0 324.468 4.011 50 0 DIAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(OC2CCOCC2)cc1 ZINC000132237469 196238272 /nfs/dbraw/zinc/23/82/72/196238272.db2.gz RGWVUYRAUAGNLU-FTRWYGJKSA-N 1 0 317.473 4.474 50 0 DIAARO CCN(CC[NH+](CC)CC)Cc1c(Cl)cccc1Cl ZINC000019632794 331580628 /nfs/dbraw/zinc/58/06/28/331580628.db2.gz VXEALQLKNOEUTR-UHFFFAOYSA-N 1 0 303.277 4.157 50 0 DIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCc3ccccc32)o1 ZINC000042907884 332255167 /nfs/dbraw/zinc/25/51/67/332255167.db2.gz CPNJVDWRIIMLMB-KRWDZBQOSA-N 1 0 307.397 4.145 50 0 DIAARO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1cc(C2CC2)on1 ZINC000534640913 334311034 /nfs/dbraw/zinc/31/10/34/334311034.db2.gz ZSYUJKWONJBENM-ZDUSSCGKSA-N 1 0 309.413 4.144 50 0 DIAARO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)c1 ZINC000137082314 341272198 /nfs/dbraw/zinc/27/21/98/341272198.db2.gz WKCACTGZWZEHND-SFHVURJKSA-N 1 0 315.413 4.162 50 0 DIAARO CC(C)Nc1ccnc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000215005294 519741795 /nfs/dbraw/zinc/74/17/95/519741795.db2.gz BAECKUYOIWXRLU-OAHLLOKOSA-N 1 0 310.445 4.121 50 0 DIAARO Brc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000003001149 563320575 /nfs/dbraw/zinc/32/05/75/563320575.db2.gz NWGJRMHLCDYJCI-UHFFFAOYSA-N 1 0 312.251 4.094 50 0 DIAARO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+]2CCC(C)C)c(C)c1 ZINC000000031405 563211225 /nfs/dbraw/zinc/21/12/25/563211225.db2.gz NDTLIXTXZSLPIO-KRWDZBQOSA-N 1 0 302.462 4.061 50 0 DIAARO C[C@H](c1ccccc1[C@@](O)(c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000000132439 563221665 /nfs/dbraw/zinc/22/16/65/563221665.db2.gz ZRPJPFSQGQDKDU-DYVFJYSZSA-N 1 0 323.358 4.107 50 0 DIAARO C[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000000207769 563230189 /nfs/dbraw/zinc/23/01/89/563230189.db2.gz HGTDJQUDDCDCRF-OAHLLOKOSA-N 1 0 306.881 4.036 50 0 DIAARO CN1CCC([N@H+](C)Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000000241732 563232900 /nfs/dbraw/zinc/23/29/00/563232900.db2.gz IAOUHWOVUSTLLO-UHFFFAOYSA-N 1 0 310.441 4.005 50 0 DIAARO Clc1ccc2c(c1)[C@H](C1=[NH+]CCN1)c1ccccc1CS2 ZINC000000347693 563243081 /nfs/dbraw/zinc/24/30/81/563243081.db2.gz HLSOHEMSDNNTJI-MRXNPFEDSA-N 1 0 314.841 4.079 50 0 DIAARO Fc1ccc(COc2cccc(C[NH2+]Cc3ccncc3)c2)cc1 ZINC000000360388 563244211 /nfs/dbraw/zinc/24/42/11/563244211.db2.gz PDMZJRHSPLGFQQ-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO CC1=CC[C@H]2CO[C@H](c3ccc[n+](Cc4ccccc4)c3)[C@@H]1C2 ZINC000001233810 563280006 /nfs/dbraw/zinc/28/00/06/563280006.db2.gz TZFCVBGVAMRQAM-HMXCVIKNSA-N 1 0 306.429 4.066 50 0 biogenic DIAARO CCCC[NH2+]CCCOc1ccc(Br)cc1Cl ZINC000003001227 563320471 /nfs/dbraw/zinc/32/04/71/563320471.db2.gz DFVNFSLEYVFWTE-UHFFFAOYSA-N 1 0 320.658 4.261 50 0 DIAARO Cc1cccc(Cl)c1NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000002156083 563301050 /nfs/dbraw/zinc/30/10/50/563301050.db2.gz YRTDJKXWYAIZIJ-CQSZACIVSA-N 1 0 323.868 4.034 50 0 DIAARO C[NH+](C)CCC[C@](C)(O)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002187350 563301492 /nfs/dbraw/zinc/30/14/92/563301492.db2.gz VOSQYSATOBJONB-SFTDATJTSA-N 1 0 311.469 4.106 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@H]3C)c2c(C)c1Cl ZINC000002365505 563303072 /nfs/dbraw/zinc/30/30/72/563303072.db2.gz WBCDOZMPCKMONV-GFCCVEGCSA-N 1 0 319.832 4.438 50 0 biogenic DIAARO C[C@@H](CC[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000002489713 563304341 /nfs/dbraw/zinc/30/43/41/563304341.db2.gz BZYRGPLDDVQNDQ-KRWDZBQOSA-N 1 0 312.432 4.142 50 0 DIAARO CSc1ccc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)cc1 ZINC000002514892 563305010 /nfs/dbraw/zinc/30/50/10/563305010.db2.gz KPYQJBYPYKLZKF-UHFFFAOYSA-N 1 0 309.434 4.011 50 0 DIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)cc(F)c1 ZINC000002514535 563305242 /nfs/dbraw/zinc/30/52/42/563305242.db2.gz FJXKVUPFBMOWRJ-UHFFFAOYSA-N 1 0 315.363 4.182 50 0 DIAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1cc(F)cc(Cl)c1 ZINC000002515082 563306103 /nfs/dbraw/zinc/30/61/03/563306103.db2.gz ZSPWZJCYRYSRIO-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO CC[N@H+](CCC(=O)Nc1cc(C)ccc1C)Cc1ccccc1 ZINC000002765264 563313055 /nfs/dbraw/zinc/31/30/55/563313055.db2.gz ITLADZMBZJYZBX-UHFFFAOYSA-N 1 0 310.441 4.154 50 0 DIAARO c1ccc2c(c1)CC[N@@H+](CCCOc1ccc3c(c1)CCC3)C2 ZINC000002844411 563314727 /nfs/dbraw/zinc/31/47/27/563314727.db2.gz ZTVBMZLJLDWRRG-UHFFFAOYSA-N 1 0 307.437 4.003 50 0 DIAARO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(Cl)cc3)c2c1 ZINC000004344054 563327040 /nfs/dbraw/zinc/32/70/40/563327040.db2.gz OMHWFERWNDTMJH-UHFFFAOYSA-N 1 0 314.816 4.162 50 0 DIAARO COc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccc(F)cc1 ZINC000006882590 563334773 /nfs/dbraw/zinc/33/47/73/563334773.db2.gz DZAFIXJDDXEVRH-UHFFFAOYSA-N 1 0 317.404 4.301 50 0 DIAARO CCOc1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008713984 563349247 /nfs/dbraw/zinc/34/92/47/563349247.db2.gz QLNLBAZPWDVCGH-UHFFFAOYSA-N 1 0 314.429 4.024 50 0 DIAARO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062768 563351586 /nfs/dbraw/zinc/35/15/86/563351586.db2.gz OQHWTOYZSNGHIJ-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000012246071 563365307 /nfs/dbraw/zinc/36/53/07/563365307.db2.gz PAYZAYAKEVLXHZ-OAHLLOKOSA-N 1 0 313.420 4.338 50 0 DIAARO Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)s1 ZINC000012244702 563365735 /nfs/dbraw/zinc/36/57/35/563365735.db2.gz YCRYMKJIMDMTHY-OAHLLOKOSA-N 1 0 317.502 4.358 50 0 DIAARO CCc1ccc([C@@H](CNc2nc3ccccc3o2)[NH+](C)C)cc1 ZINC000012973135 563376054 /nfs/dbraw/zinc/37/60/54/563376054.db2.gz UPPZUYFBQORQTJ-QGZVFWFLSA-N 1 0 309.413 4.105 50 0 DIAARO Cc1ccc(C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 ZINC000013758861 563388799 /nfs/dbraw/zinc/38/87/99/563388799.db2.gz NQBUFAQLVJECTQ-UHFFFAOYSA-N 1 0 303.429 4.054 50 0 DIAARO Brc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000013895717 563391662 /nfs/dbraw/zinc/39/16/62/563391662.db2.gz CGGZCBZEJXKYPM-UHFFFAOYSA-N 1 0 320.274 4.363 50 0 DIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C)cc2C)cc1 ZINC000014185434 563397663 /nfs/dbraw/zinc/39/76/63/563397663.db2.gz JUZNLIKNJZLBPF-UHFFFAOYSA-N 1 0 324.468 4.075 50 0 DIAARO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000014631352 563402285 /nfs/dbraw/zinc/40/22/85/563402285.db2.gz IVFKBLIVRXZTLF-MRXNPFEDSA-N 1 0 315.844 4.309 50 0 DIAARO O=C(CC[NH+]1CCCCCC1)Nc1cc(Cl)ccc1Cl ZINC000032870660 563404231 /nfs/dbraw/zinc/40/42/31/563404231.db2.gz YKHMJNNNYNKVJN-UHFFFAOYSA-N 1 0 315.244 4.198 50 0 DIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000014952376 563404457 /nfs/dbraw/zinc/40/44/57/563404457.db2.gz SZWOXAJDLBAOGH-OAHLLOKOSA-N 1 0 320.458 4.103 50 0 DIAARO C[N@H+](Cc1ccccc1NC(=O)C1CCC1)C1CCCCC1 ZINC000032876323 563406066 /nfs/dbraw/zinc/40/60/66/563406066.db2.gz NQOSHJSHUSKSDF-UHFFFAOYSA-N 1 0 300.446 4.190 50 0 DIAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(F)c2)cnn1-c1ccccc1 ZINC000015075065 563406695 /nfs/dbraw/zinc/40/66/95/563406695.db2.gz SZBVKHQEYRNGMR-CQSZACIVSA-N 1 0 309.388 4.171 50 0 DIAARO c1cncc(-c2ncc3c(n2)CCC[C@@H]3[NH2+]CC2CCCCC2)c1 ZINC000015066320 563406979 /nfs/dbraw/zinc/40/69/79/563406979.db2.gz IUTVDPFZUUPPIH-SFHVURJKSA-N 1 0 322.456 4.086 50 0 DIAARO Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1Cc1ccccc1 ZINC000106442408 563420703 /nfs/dbraw/zinc/42/07/03/563420703.db2.gz HFUHUGRDWPZSPJ-UHFFFAOYSA-N 1 0 318.207 4.487 50 0 DIAARO CC[NH+](CC)CCCOc1ccc(C(=O)c2ccccc2)cc1 ZINC000006311433 563420815 /nfs/dbraw/zinc/42/08/15/563420815.db2.gz BJMJFWJNGCZRMO-UHFFFAOYSA-N 1 0 311.425 4.028 50 0 DIAARO Cc1cc2c(cc1C)C(NCc1ccc(F)cc1)=[NH+]C(C)(C)C2 ZINC000026580647 563425664 /nfs/dbraw/zinc/42/56/64/563425664.db2.gz GZOXRUZUICCHPF-UHFFFAOYSA-N 1 0 310.416 4.314 50 0 DIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1F ZINC000027143701 563427567 /nfs/dbraw/zinc/42/75/67/563427567.db2.gz IOQZYMUBHWJGGF-UHFFFAOYSA-N 1 0 312.388 4.064 50 0 DIAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C)cc2)C1 ZINC000072277765 563432043 /nfs/dbraw/zinc/43/20/43/563432043.db2.gz AUXCHQIYKFTVIE-INIZCTEOSA-N 1 0 317.477 4.017 50 0 DIAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000023282433 563434854 /nfs/dbraw/zinc/43/48/54/563434854.db2.gz BDCQENHXWMYNRU-CQSZACIVSA-N 1 0 303.833 4.460 50 0 DIAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C)s2)cc1 ZINC000030641032 563437380 /nfs/dbraw/zinc/43/73/80/563437380.db2.gz CUFTXLYSVMILHY-ZDUSSCGKSA-N 1 0 302.443 4.256 50 0 DIAARO CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)[NH+]1CCCCCC1 ZINC000000186664 563446801 /nfs/dbraw/zinc/44/68/01/563446801.db2.gz PIRAZAGTGLMJDK-KRWDZBQOSA-N 1 0 302.462 4.205 50 0 DIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000019636655 563448950 /nfs/dbraw/zinc/44/89/50/563448950.db2.gz MWKBBHQWUSYYJS-CYBMUJFWSA-N 1 0 323.358 4.435 50 0 DIAARO C/C=C/c1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC000004885438 563449593 /nfs/dbraw/zinc/44/95/93/563449593.db2.gz NKDRALPQPHEJJV-DKLOGILVSA-N 1 0 303.446 4.085 50 0 DIAARO Cc1ccsc1CN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000252427590 563451856 /nfs/dbraw/zinc/45/18/56/563451856.db2.gz LNYKFDYVUPKCTB-PKOBYXMFSA-N 1 0 318.530 4.285 50 0 DIAARO CCOC(C[NH+](Cc1ccccc1)Cc1ccccc1)OCC ZINC000036462468 563455465 /nfs/dbraw/zinc/45/54/65/563455465.db2.gz XDKNQNZNKLIMOI-UHFFFAOYSA-N 1 0 313.441 4.088 50 0 DIAARO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1ccc(O)c(Cl)c1 ZINC000055089004 563470980 /nfs/dbraw/zinc/47/09/80/563470980.db2.gz DKAQSKJVLSUHGQ-CYBMUJFWSA-N 1 0 304.821 4.241 50 0 DIAARO Cc1cc(C)n(CCC[N@H+](C)CCCSc2ccccc2)n1 ZINC000055053893 563471213 /nfs/dbraw/zinc/47/12/13/563471213.db2.gz CAUMDPHDUYBOCR-UHFFFAOYSA-N 1 0 317.502 4.004 50 0 DIAARO CC[C@H](C)C[NH+]1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000055224573 563472754 /nfs/dbraw/zinc/47/27/54/563472754.db2.gz OLVFERIOBZHUGV-HNNXBMFYSA-N 1 0 304.482 4.009 50 0 DIAARO CCC[C@@H](C)C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055270566 563473523 /nfs/dbraw/zinc/47/35/23/563473523.db2.gz QTMOMSKNOVUMIB-OAHLLOKOSA-N 1 0 304.482 4.009 50 0 DIAARO CCC[N@H+](Cc1ccc(SC)cc1)Cc1cccnc1NC ZINC000055327666 563474675 /nfs/dbraw/zinc/47/46/75/563474675.db2.gz HMYFQTFLGAXSRJ-UHFFFAOYSA-N 1 0 315.486 4.257 50 0 DIAARO COc1ccccc1/C=C/C[N@@H+](Cc1ccccn1)CC(C)C ZINC000055413098 563475416 /nfs/dbraw/zinc/47/54/16/563475416.db2.gz KJZRISAIYWTFKZ-CSKARUKUSA-N 1 0 310.441 4.262 50 0 DIAARO Cc1cccc(-c2ncc(C[NH2+]Cc3cc(C)ccc3C)cn2)c1 ZINC000063847997 563485180 /nfs/dbraw/zinc/48/51/80/563485180.db2.gz JEOYEEXEHHZUHH-UHFFFAOYSA-N 1 0 317.436 4.359 50 0 DIAARO CCCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000064666861 563486088 /nfs/dbraw/zinc/48/60/88/563486088.db2.gz VTBFVCUZPACPRL-SFHVURJKSA-N 1 0 314.429 4.499 50 0 DIAARO CCC[NH+]1CCC(n2ccnc2-c2ccc3ccccc3n2)CC1 ZINC000067955590 563494162 /nfs/dbraw/zinc/49/41/62/563494162.db2.gz ZRLCHOWIPOULKD-UHFFFAOYSA-N 1 0 320.440 4.145 50 0 DIAARO C[NH+]1CCC(CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000071375743 563499155 /nfs/dbraw/zinc/49/91/55/563499155.db2.gz LTEQHMSISLESPP-UHFFFAOYSA-N 1 0 324.424 4.149 50 0 DIAARO Fc1cccc(F)c1CC[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000071404276 563499737 /nfs/dbraw/zinc/49/97/37/563499737.db2.gz MIVLGVRJFNFQTQ-HNNXBMFYSA-N 1 0 316.395 4.205 50 0 DIAARO Cc1nc2cc(CCC(=O)Nc3cccc(C)c3C)ccc2[nH]1 ZINC000033169586 563500009 /nfs/dbraw/zinc/50/00/09/563500009.db2.gz QULYBEMQHFMVJL-UHFFFAOYSA-N 1 0 307.397 4.059 50 0 DIAARO CSc1ccc(-c2nccn2[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000072407503 563503660 /nfs/dbraw/zinc/50/36/60/563503660.db2.gz CJIZOQRPDQIHNR-ZDUSSCGKSA-N 1 0 312.442 4.107 50 0 DIAARO Cc1ccsc1-c1nccn1C[C@H](c1cccs1)[NH+](C)C ZINC000077388828 563510045 /nfs/dbraw/zinc/51/00/45/563510045.db2.gz LGGQWZOVJZHENA-CYBMUJFWSA-N 1 0 317.483 4.284 50 0 DIAARO Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000077471923 563510596 /nfs/dbraw/zinc/51/05/96/563510596.db2.gz YCMSJCXNRJQIRY-KRWDZBQOSA-N 1 0 323.440 4.154 50 0 DIAARO c1ccc(COc2ccc(NCCc3ccncc3)cc2)cc1 ZINC000000054895 563515175 /nfs/dbraw/zinc/51/51/75/563515175.db2.gz RQDMJSIDKBDPCF-UHFFFAOYSA-N 1 0 304.393 4.315 50 0 DIAARO CCOC(=O)CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000095828768 563530562 /nfs/dbraw/zinc/53/05/62/563530562.db2.gz PNQDMSNPBPLCRI-UHFFFAOYSA-N 1 0 311.425 4.032 50 0 DIAARO Fc1ccc([C@@H]2CC[N@@H+]2Cc2cccc(Cn3cccn3)c2)cc1 ZINC000097572305 563540176 /nfs/dbraw/zinc/54/01/76/563540176.db2.gz BNAFGOVYBNXKHP-FQEVSTJZSA-N 1 0 321.399 4.018 50 0 DIAARO O=C(Nc1ccc(Cl)cc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000000140619 563572764 /nfs/dbraw/zinc/57/27/64/563572764.db2.gz GRDMMPXVOYPCJQ-BBRMVZONSA-N 1 0 322.836 4.153 50 0 biogenic DIAARO COc1cc2c(cc1OC)CC(C)(C)[N@H+](Cc1ccccc1)C2 ZINC000000178875 563575589 /nfs/dbraw/zinc/57/55/89/563575589.db2.gz LIKBFCVNMSTQFV-UHFFFAOYSA-N 1 0 311.425 4.041 50 0 DIAARO CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(C)cc2)c(C)n1O ZINC000136088897 563616447 /nfs/dbraw/zinc/61/64/47/563616447.db2.gz AYRHIAOMSJYCFS-UHFFFAOYSA-N 1 0 321.400 4.153 50 0 DIAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000000240100 563627791 /nfs/dbraw/zinc/62/77/91/563627791.db2.gz WRFXSTWJCZREFK-FQEVSTJZSA-N 1 0 323.436 4.129 50 0 DIAARO COc1cc(C[NH+]2CCCCC2)ccc1OCc1ccccc1 ZINC000000279004 563629361 /nfs/dbraw/zinc/62/93/61/563629361.db2.gz PNJJSRXXAUGZGY-UHFFFAOYSA-N 1 0 311.425 4.260 50 0 DIAARO C[C@H](CCc1ccccc1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000001229318 563633565 /nfs/dbraw/zinc/63/35/65/563633565.db2.gz SFFYUXMUPIMEJO-LJQANCHMSA-N 1 0 322.496 4.262 50 0 DIAARO CCN1[NH+]=C(C)C=C(c2ccccc2)n2c3ccccc3nc21 ZINC000000494146 563650558 /nfs/dbraw/zinc/65/05/58/563650558.db2.gz DXOAGMYDJALDCK-UHFFFAOYSA-N 1 0 302.381 4.141 50 0 DIAARO COc1ccc2cc(C[NH+]3C[C@@H](C)C[C@H](C)C3)c(Cl)nc2c1 ZINC000013018512 563655059 /nfs/dbraw/zinc/65/50/59/563655059.db2.gz VYRKDMBDQWARKI-STQMWFEESA-N 1 0 318.848 4.375 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000014138746 563665415 /nfs/dbraw/zinc/66/54/15/563665415.db2.gz HIQSLPACDZSJBO-HNNXBMFYSA-N 1 0 322.452 4.375 50 0 DIAARO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2CCCC2)c1C ZINC000000568535 563671471 /nfs/dbraw/zinc/67/14/71/563671471.db2.gz CFRFUSAXUVEOAT-UHFFFAOYSA-N 1 0 314.454 4.213 50 0 DIAARO CCOC[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000107052900 563682887 /nfs/dbraw/zinc/68/28/87/563682887.db2.gz LIRONJMOSQYXJR-HZPDHXFCSA-N 1 0 314.429 4.151 50 0 DIAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000048710409 563699666 /nfs/dbraw/zinc/69/96/66/563699666.db2.gz YKVZDONQJMDHDB-LBPRGKRZSA-N 1 0 318.367 4.164 50 0 DIAARO CC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccccc1Br ZINC000095968904 563714054 /nfs/dbraw/zinc/71/40/54/563714054.db2.gz FBNRXWWVZLEWKI-OAHLLOKOSA-N 1 0 307.235 4.029 50 0 DIAARO CCOc1ccc(CNc2[nH+]cc(-c3ccccc3)n2C)cc1 ZINC000000819061 563720607 /nfs/dbraw/zinc/72/06/07/563720607.db2.gz RAOIXTUCEXXDNV-UHFFFAOYSA-N 1 0 307.397 4.098 50 0 DIAARO C[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000032764865 563723042 /nfs/dbraw/zinc/72/30/42/563723042.db2.gz FQIBKMKEZUZHJW-INIZCTEOSA-N 1 0 308.425 4.098 50 0 DIAARO CC[NH+](CC)CCOC(=O)[C@H](c1cccs1)[C@@H]1C=CCCC1 ZINC000033648793 563725199 /nfs/dbraw/zinc/72/51/99/563725199.db2.gz KYNUPCMVBZSOJZ-WBVHZDCISA-N 1 0 321.486 4.073 50 0 DIAARO Cc1cc2ccccc2n1CCN(C)Cc1coc(C(C)C)n1 ZINC000223923189 563737975 /nfs/dbraw/zinc/73/79/75/563737975.db2.gz FTEBNTYJXAKMKW-UHFFFAOYSA-N 1 0 311.429 4.193 50 0 DIAARO CC(C)([NH2+]CCc1cccc2ccccc21)[C@H](O)c1ccccc1 ZINC000039248422 563744277 /nfs/dbraw/zinc/74/42/77/563744277.db2.gz RBIAWPWWQYCFBO-OAQYLSRUSA-N 1 0 319.448 4.484 50 0 DIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc3cccnc32)c1 ZINC000028925015 563757680 /nfs/dbraw/zinc/75/76/80/563757680.db2.gz ZMBGAKBVHKCAHL-CQSZACIVSA-N 1 0 319.408 4.044 50 0 DIAARO COc1cccc(C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)c1 ZINC000028925803 563757716 /nfs/dbraw/zinc/75/77/16/563757716.db2.gz JUEGCSBCAIVKHB-CYBMUJFWSA-N 1 0 311.381 4.301 50 0 DIAARO Cc1nc2c(n1[C@@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)CCCC2 ZINC000241719911 563777885 /nfs/dbraw/zinc/77/78/85/563777885.db2.gz QQRZSKBVCSKMCD-MAUKXSAKSA-N 1 0 309.457 4.078 50 0 DIAARO CCc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000078739046 563782038 /nfs/dbraw/zinc/78/20/38/563782038.db2.gz ILQKCPWRQAHCKN-CVEARBPZSA-N 1 0 310.441 4.317 50 0 DIAARO c1ccc2cc(CN3CCC([NH+]4CCCCC4)CC3)ccc2c1 ZINC000000971083 563786027 /nfs/dbraw/zinc/78/60/27/563786027.db2.gz GFDUCIZPKXTZAX-UHFFFAOYSA-N 1 0 308.469 4.290 50 0 DIAARO [NH3+]CCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001826623 563796135 /nfs/dbraw/zinc/79/61/35/563796135.db2.gz LQQZXHJCWOGKAN-UHFFFAOYSA-N 1 0 318.829 4.208 50 0 DIAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000012529389 563798596 /nfs/dbraw/zinc/79/85/96/563798596.db2.gz AQYBIMSGCHVUKO-UHFFFAOYSA-N 1 0 315.779 4.159 50 0 DIAARO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000012674845 563809069 /nfs/dbraw/zinc/80/90/69/563809069.db2.gz YPENNPBZNWFSLJ-DNVCBOLYSA-N 1 0 308.425 4.063 50 0 DIAARO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000012672771 563809100 /nfs/dbraw/zinc/80/91/00/563809100.db2.gz HMSGZGIKWSXIPJ-FOIQADDNSA-N 1 0 322.452 4.317 50 0 DIAARO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000012672752 563809486 /nfs/dbraw/zinc/80/94/86/563809486.db2.gz HMSGZGIKWSXIPJ-QRWLVFNGSA-N 1 0 322.452 4.317 50 0 DIAARO CCC[N@H+](CCc1ccccc1)[C@@H]1CCc2c(O)cccc2C1 ZINC000002169418 563841862 /nfs/dbraw/zinc/84/18/62/563841862.db2.gz DEYFWGXTPWNADC-LJQANCHMSA-N 1 0 309.453 4.204 50 0 in-vitro DIAARO OC1CCC([NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000090800264 563876112 /nfs/dbraw/zinc/87/61/12/563876112.db2.gz MUECINOJDURIQD-MHJFOBGBSA-N 1 0 301.474 4.071 50 0 DIAARO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](C)c3ccc(C)cc3)c(C)n2n1 ZINC000091726810 563879152 /nfs/dbraw/zinc/87/91/52/563879152.db2.gz FHTQKQZCHGYYOY-ZBFHGGJFSA-N 1 0 322.456 4.109 50 0 DIAARO C[C@@H]1CC([NH2+]CCCO[C@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000245840118 563881957 /nfs/dbraw/zinc/88/19/57/563881957.db2.gz DGPPYUDOLOMBQO-QINHECLXSA-N 1 0 317.473 4.016 50 0 DIAARO C[C@@H]1C[C@@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000245840130 563882309 /nfs/dbraw/zinc/88/23/09/563882309.db2.gz DGPPYUDOLOMBQO-YNVMFWSZSA-N 1 0 317.473 4.016 50 0 DIAARO Cn1c2ccccc2c2c1[C@]1(c3ccccc3)CCC[N@@H+]1CC2 ZINC000026771513 563882394 /nfs/dbraw/zinc/88/23/94/563882394.db2.gz KLBANMXKJPIDCF-OAQYLSRUSA-N 1 0 302.421 4.074 50 0 DIAARO COc1ccccc1[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000245969825 563882558 /nfs/dbraw/zinc/88/25/58/563882558.db2.gz FKPZZEPKBAHBJM-MQJTVSLUSA-N 1 0 317.473 4.472 50 0 DIAARO CCCCN1C(=O)c2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248208403 563883475 /nfs/dbraw/zinc/88/34/75/563883475.db2.gz BZTJMQNXRYPGBG-OHDICMOHSA-N 1 0 314.473 4.355 50 0 DIAARO CC(C)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000075568188 563884949 /nfs/dbraw/zinc/88/49/49/563884949.db2.gz JAVPQCZOXMYSHP-OXJNMPFZSA-N 1 0 310.441 4.391 50 0 DIAARO CCC[NH+](CCC)C[C@@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000055450210 563889643 /nfs/dbraw/zinc/88/96/43/563889643.db2.gz QTYAZRLLQFIOTL-LXPRWKDFSA-N 1 0 313.526 4.091 50 0 DIAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccccc1 ZINC000036095367 563892991 /nfs/dbraw/zinc/89/29/91/563892991.db2.gz YDLLTKVQXMZOKE-LJQANCHMSA-N 1 0 301.405 4.017 50 0 DIAARO C[C@H]1CCCC[N@@H+]1Cc1cncc(-c2ccc(F)cc2F)c1 ZINC000037279093 563908061 /nfs/dbraw/zinc/90/80/61/563908061.db2.gz AZIRADRKBPJMLC-ZDUSSCGKSA-N 1 0 302.368 4.401 50 0 DIAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000076056334 563912237 /nfs/dbraw/zinc/91/22/37/563912237.db2.gz UCZCMIPOXXIESO-GUXCAODWSA-N 1 0 324.468 4.137 50 0 DIAARO O[C@@H](C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000014929244 563914937 /nfs/dbraw/zinc/91/49/37/563914937.db2.gz RNYDSULXEGZJTK-SJORKVTESA-N 1 0 324.449 4.167 50 0 DIAARO CC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc2[nH]ccc2c1 ZINC000252492165 563916218 /nfs/dbraw/zinc/91/62/18/563916218.db2.gz MEPTXBRJZPIANB-UHFFFAOYSA-N 1 0 310.445 4.142 50 0 DIAARO c1cc2c(s1)CC[N@@H+](CCc1ccncc1)[C@H]2c1ccccc1 ZINC000015033309 563916964 /nfs/dbraw/zinc/91/69/64/563916964.db2.gz KSFFVFSOJVPNJC-FQEVSTJZSA-N 1 0 320.461 4.333 50 0 DIAARO COc1ccc(C[NH2+]CC[C@@H](c2ccco2)C(C)C)cc1OC ZINC000002206138 563917406 /nfs/dbraw/zinc/91/74/06/563917406.db2.gz UFPNLONKLATBMA-MRXNPFEDSA-N 1 0 317.429 4.216 50 0 DIAARO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000170687340 563917747 /nfs/dbraw/zinc/91/77/47/563917747.db2.gz IAPFUAGYYDXUDF-CHWSQXEVSA-N 1 0 317.820 4.397 50 0 DIAARO Cc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccnc2)c1 ZINC000037522513 563918200 /nfs/dbraw/zinc/91/82/00/563918200.db2.gz DRLRJEULSXYLLN-OAQYLSRUSA-N 1 0 317.436 4.187 50 0 DIAARO C[C@H]1CCCC[N@@H+]1Cc1cncc(-c2cc(F)ccc2F)c1 ZINC000037553753 563918775 /nfs/dbraw/zinc/91/87/75/563918775.db2.gz XQGJIEFXTDDXEG-ZDUSSCGKSA-N 1 0 302.368 4.401 50 0 DIAARO CCC1=C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(F)cc2)N1O ZINC000033350673 563923878 /nfs/dbraw/zinc/92/38/78/563923878.db2.gz FOWMMINHKMCRPB-GOSISDBHSA-N 1 0 313.352 4.261 50 0 DIAARO COC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc1 ZINC000095420439 563931298 /nfs/dbraw/zinc/93/12/98/563931298.db2.gz QKIBAABBDWFCEH-SNVBAGLBSA-N 1 0 324.833 4.431 50 0 DIAARO COc1ccccc1[C@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000095953677 563932406 /nfs/dbraw/zinc/93/24/06/563932406.db2.gz ZDKORRXGMUSUOW-LJQANCHMSA-N 1 0 313.466 4.270 50 0 DIAARO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000095967664 563932958 /nfs/dbraw/zinc/93/29/58/563932958.db2.gz ZESTVLWMCNLWIS-JQFCIGGWSA-N 1 0 303.450 4.043 50 0 DIAARO Cc1cc(C)n(C[C@@H](C)C[NH2+][C@@H]2CC(C)(C)Cc3occc32)n1 ZINC000095967318 563932963 /nfs/dbraw/zinc/93/29/63/563932963.db2.gz ZJNQTUBSEBZFSC-SUMWQHHRSA-N 1 0 315.461 4.032 50 0 DIAARO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000095967665 563933022 /nfs/dbraw/zinc/93/30/22/563933022.db2.gz ZESTVLWMCNLWIS-XKQJLSEDSA-N 1 0 303.450 4.043 50 0 DIAARO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cccc(Cl)c1Cl ZINC000095968155 563933121 /nfs/dbraw/zinc/93/31/21/563933121.db2.gz XPUULFNWWCDUDS-SRVKXCTJSA-N 1 0 313.272 4.269 50 0 DIAARO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 ZINC000095968446 563933129 /nfs/dbraw/zinc/93/31/29/563933129.db2.gz CXIGGVZEPOLYLM-DNVCBOLYSA-N 1 0 306.413 4.069 50 0 DIAARO Clc1ccc([C@H]([NH2+]CC2=CCCOC2)c2ccccc2)cc1 ZINC000095971802 563933539 /nfs/dbraw/zinc/93/35/39/563933539.db2.gz WVNTYXWUZYNBLI-LJQANCHMSA-N 1 0 313.828 4.366 50 0 DIAARO Cc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)c(OC(C)C)c1 ZINC000095969188 563933547 /nfs/dbraw/zinc/93/35/47/563933547.db2.gz ATECTVBNYHEWEI-AWEZNQCLSA-N 1 0 302.393 4.167 50 0 DIAARO Oc1ccc(C2=CC[N@H+](Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000095982361 563933898 /nfs/dbraw/zinc/93/38/98/563933898.db2.gz UCHVGLQETXAWLL-UHFFFAOYSA-N 1 0 304.393 4.163 50 0 DIAARO CSc1c[nH+]c2ccccc2c1NCCCc1c[nH]nc1C ZINC000096011496 563934881 /nfs/dbraw/zinc/93/48/81/563934881.db2.gz PVIXPESNBZGDCW-UHFFFAOYSA-N 1 0 312.442 4.033 50 0 DIAARO O[C@@H](CCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000096027156 563935074 /nfs/dbraw/zinc/93/50/74/563935074.db2.gz ICDLQOJXUAQPBX-QFIPXVFZSA-N 1 0 323.480 4.455 50 0 DIAARO COCc1[nH]nc(C)c1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000096148704 563935879 /nfs/dbraw/zinc/93/58/79/563935879.db2.gz AQVBMFMSSNIPRM-OAHLLOKOSA-N 1 0 313.445 4.078 50 0 DIAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1F ZINC000096479127 563937364 /nfs/dbraw/zinc/93/73/64/563937364.db2.gz QZVPVJIFTPPAJL-OLZOCXBDSA-N 1 0 313.376 4.325 50 0 DIAARO CC(C)[NH2+]CC(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000007980521 563945965 /nfs/dbraw/zinc/94/59/65/563945965.db2.gz CBQQDMWINOKZMP-UHFFFAOYSA-N 1 0 306.409 4.026 50 0 DIAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000008311887 563947718 /nfs/dbraw/zinc/94/77/18/563947718.db2.gz BIWOHGQOCMGKSL-BDTNDASRSA-N 1 0 321.464 4.339 50 0 DIAARO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000008395606 563948365 /nfs/dbraw/zinc/94/83/65/563948365.db2.gz JYIQQFCAOGQROK-HNNXBMFYSA-N 1 0 311.425 4.432 50 0 DIAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[NH+]1CCCCCC1 ZINC000008700894 563949690 /nfs/dbraw/zinc/94/96/90/563949690.db2.gz AQJCYMGEHFHVAQ-UHFFFAOYSA-N 1 0 304.821 4.278 50 0 DIAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008700908 563949729 /nfs/dbraw/zinc/94/97/29/563949729.db2.gz WOCYBRKWOIYLEN-CQSZACIVSA-N 1 0 314.429 4.022 50 0 DIAARO CCCOc1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008717134 563949968 /nfs/dbraw/zinc/94/99/68/563949968.db2.gz HFSDAHYGZLPQIS-UHFFFAOYSA-N 1 0 314.429 4.024 50 0 DIAARO CCOc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008713986 563950048 /nfs/dbraw/zinc/95/00/48/563950048.db2.gz OXNFMHWGFLOBSH-CYBMUJFWSA-N 1 0 314.429 4.022 50 0 DIAARO CC(=O)Nc1ccc(Oc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000067821666 563950159 /nfs/dbraw/zinc/95/01/59/563950159.db2.gz XRCDZHYVZAQOAA-UHFFFAOYSA-N 1 0 310.397 4.033 50 0 DIAARO c1ccc(COC2CC[NH+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000069352220 563952362 /nfs/dbraw/zinc/95/23/62/563952362.db2.gz UNKMYMQNRCPEHR-UHFFFAOYSA-N 1 0 322.408 4.009 50 0 DIAARO Cc1ccc(-c2nc(C[N@@H+](C)C3Cc4ccccc4C3)cs2)o1 ZINC000069418425 563952876 /nfs/dbraw/zinc/95/28/76/563952876.db2.gz GNTIVCTUPSLWOC-UHFFFAOYSA-N 1 0 324.449 4.311 50 0 DIAARO c1csc(-c2cc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)no2)c1 ZINC000069894483 563955123 /nfs/dbraw/zinc/95/51/23/563955123.db2.gz ZGQJBZLKYBXQHA-OAHLLOKOSA-N 1 0 310.422 4.393 50 0 DIAARO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c(C)c1 ZINC000010311239 563958537 /nfs/dbraw/zinc/95/85/37/563958537.db2.gz MWSWUAXLZHIFBQ-IBGZPJMESA-N 1 0 322.452 4.387 50 0 DIAARO COc1ccc(CC[NH2+]Cc2cccc3ccccc32)cc1OC ZINC000002734782 568414166 /nfs/dbraw/zinc/41/41/66/568414166.db2.gz PGNIIULGBSYOEP-UHFFFAOYSA-N 1 0 321.420 4.189 50 0 DIAARO C[N@H+](C[C@@H](O)c1ccccc1)C1CCC(c2ccccc2)CC1 ZINC000002498181 1037583679 /nfs/dbraw/zinc/58/36/79/1037583679.db2.gz JNDHWHCBYVIBNC-DQVLVPHSSA-N 1 0 309.453 4.378 50 0 DIAARO CC1(C)C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CCO1 ZINC000161735881 1039344776 /nfs/dbraw/zinc/34/47/76/1039344776.db2.gz KUOLKNMYSIGDOI-CQSZACIVSA-N 1 0 301.386 4.119 50 0 DIAARO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)co1 ZINC000102423235 1040273911 /nfs/dbraw/zinc/27/39/11/1040273911.db2.gz NNBBKEBUFJMXIS-VBUUOAMHSA-N 1 0 314.404 4.341 50 0 DIAARO OC[C@@H]1CCC[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000023281022 1040548182 /nfs/dbraw/zinc/54/81/82/1040548182.db2.gz KVCMAIMTIPTBRW-INIZCTEOSA-N 1 0 317.816 4.089 50 0 DIAARO C[C@@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@H]1C ZINC000299872817 1041827297 /nfs/dbraw/zinc/82/72/97/1041827297.db2.gz NOOVCEBGGLCWNR-LQWHRVPQSA-N 1 0 314.517 4.108 50 0 DIAARO c1ccc(-c2ncc(C[NH2+][C@@H](c3ccccc3)C3CC3)cn2)cc1 ZINC000048685769 1042021013 /nfs/dbraw/zinc/02/10/13/1042021013.db2.gz HIIKYTRWVQMZFI-FQEVSTJZSA-N 1 0 315.420 4.385 50 0 DIAARO c1ccc(-c2ncc(C[NH2+][C@H](c3ccccc3)C3CC3)cn2)cc1 ZINC000048685772 1042021500 /nfs/dbraw/zinc/02/15/00/1042021500.db2.gz HIIKYTRWVQMZFI-HXUWFJFHSA-N 1 0 315.420 4.385 50 0 DIAARO CCN(CC)c1ccc(C=[NH+][N-]c2cccc(Cl)c2)c(O)c1 ZINC000254856212 1042099356 /nfs/dbraw/zinc/09/93/56/1042099356.db2.gz SVUOHWVIYCXTIR-UHFFFAOYSA-N 1 0 317.820 4.338 50 0 DIAARO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(C(F)(F)F)nc1Cl ZINC000585118325 1042232508 /nfs/dbraw/zinc/23/25/08/1042232508.db2.gz KKMSTLVSZCSZFC-RKDXNWHRSA-N 1 0 324.799 4.158 50 0 DIAARO C[C@H](O)CCC[NH2+][C@@H](c1ccccc1)c1cccc2[nH]ccc21 ZINC000888099004 1042264993 /nfs/dbraw/zinc/26/49/93/1042264993.db2.gz SJIQGJHOZUKECF-YWZLYKJASA-N 1 0 308.425 4.008 50 0 DIAARO C[N@H+](C[C@@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000012946762 1044743442 /nfs/dbraw/zinc/74/34/42/1044743442.db2.gz HNFBZQUIHQKOBZ-OAQYLSRUSA-N 1 0 317.432 4.441 50 0 DIAARO CC(C)c1cccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000131624497 1044831625 /nfs/dbraw/zinc/83/16/25/1044831625.db2.gz JGYUXSDTGOTFOC-OAQYLSRUSA-N 1 0 324.468 4.077 50 0 DIAARO CCC(CC)[NH2+][C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000158458393 1045022421 /nfs/dbraw/zinc/02/24/21/1045022421.db2.gz LDUMCGRZIDGNAV-LLVKDONJSA-N 1 0 307.825 4.153 50 0 DIAARO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1cnc2ccccc2c1 ZINC000055108256 1046430055 /nfs/dbraw/zinc/43/00/55/1046430055.db2.gz FVUBECQKVFAFRG-INIZCTEOSA-N 1 0 305.425 4.431 50 0 DIAARO c1ccc(C2CCC([NH2+]CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000005682222 1049696620 /nfs/dbraw/zinc/69/66/20/1049696620.db2.gz TVIYCTSNCRRFAT-UHFFFAOYSA-N 1 0 323.436 4.274 50 0 DIAARO O=C(CC1CCCCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000828065501 1050469357 /nfs/dbraw/zinc/46/93/57/1050469357.db2.gz TXVVVVIWPGJJKL-UHFFFAOYSA-N 1 0 300.446 4.191 50 0 DIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000041970232 1050610635 /nfs/dbraw/zinc/61/06/35/1050610635.db2.gz XMZODSJSPRELMK-UHFFFAOYSA-N 1 0 314.816 4.188 50 0 DIAARO Cc1cnc([C@@H]2CC[N@H+](Cc3ccc(C)c(C)c3)C2)n1C(C)C ZINC000169791420 1050907814 /nfs/dbraw/zinc/90/78/14/1050907814.db2.gz VDHHZFXHQYXSLW-LJQANCHMSA-N 1 0 311.473 4.379 50 0 DIAARO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1ncccc1O)C(C)C ZINC000952845603 1051121430 /nfs/dbraw/zinc/12/14/30/1051121430.db2.gz DACBLKDOWYCBJD-GOSISDBHSA-N 1 0 310.397 4.329 50 0 DIAARO C[N@@H+]1CCC[C@H](NC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000952881206 1051122119 /nfs/dbraw/zinc/12/21/19/1051122119.db2.gz GJOYKHPLHIXMPD-KRWDZBQOSA-N 1 0 323.440 4.019 50 0 DIAARO C=Cc1cccc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)c1 ZINC000952961413 1051123125 /nfs/dbraw/zinc/12/31/25/1051123125.db2.gz HNGFGTDGPHIBRK-LJQANCHMSA-N 1 0 313.466 4.337 50 0 DIAARO CCCN1CCC[C@@H]([NH2+]Cc2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000952978327 1051123224 /nfs/dbraw/zinc/12/32/24/1051123224.db2.gz PQQMVPGPQLODQI-OAHLLOKOSA-N 1 0 319.880 4.094 50 0 DIAARO Cc1ccc(N2CCC([NH2+][C@@H](C)CCC(C)(C)C)CC2)nc1 ZINC000952963053 1051123730 /nfs/dbraw/zinc/12/37/30/1051123730.db2.gz SGVBPYFDHGYARK-INIZCTEOSA-N 1 0 303.494 4.163 50 0 DIAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)n1 ZINC000011953138 1056884668 /nfs/dbraw/zinc/88/46/68/1056884668.db2.gz KVYYVNOKQYVPGU-CQSZACIVSA-N 1 0 324.472 4.085 50 0 DIAARO Cc1c([C@@H](C)[NH2+]CC2CC2)cnn1-c1cccc2ccccc21 ZINC000012058105 1056954064 /nfs/dbraw/zinc/95/40/64/1056954064.db2.gz WPFZBCGQLLRFSZ-CQSZACIVSA-N 1 0 305.425 4.395 50 0 DIAARO CC(C)(C)C[NH+]1CCC(c2n[nH]cc2Cc2ccccc2)CC1 ZINC000012242560 1057000488 /nfs/dbraw/zinc/00/04/88/1057000488.db2.gz JALWBETWEDJTLO-UHFFFAOYSA-N 1 0 311.473 4.226 50 0 DIAARO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+]1C[C@H]2C[C@@H]1CCC2 ZINC000012298179 1057016575 /nfs/dbraw/zinc/01/65/75/1057016575.db2.gz FDFUSNHLFFVFAF-OCCSQVGLSA-N 1 0 318.367 4.303 50 0 DIAARO c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)n2)cc1 ZINC000012443072 1057166278 /nfs/dbraw/zinc/16/62/78/1057166278.db2.gz YNXHWHFQCMPFOO-QGZVFWFLSA-N 1 0 311.429 4.139 50 0 DIAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012576599 1057511644 /nfs/dbraw/zinc/51/16/44/1057511644.db2.gz PSMKLRGHGIWZSP-HNNXBMFYSA-N 1 0 317.816 4.336 50 0 DIAARO CC(C)(C)[C@H]1C[N@H+](Cc2ccncc2)C[C@@H](c2ccccc2)O1 ZINC001529138601 1058621969 /nfs/dbraw/zinc/62/19/69/1058621969.db2.gz FZECSQUILIWPJB-RBUKOAKNSA-N 1 0 310.441 4.070 50 0 DIAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC001506407590 1063506222 /nfs/dbraw/zinc/50/62/22/1063506222.db2.gz SXAORFQSYLNKRO-MRXNPFEDSA-N 1 0 324.468 4.059 50 0 DIAARO C[C@H]([NH3+])c1ccc(OCc2ccccc2)c(Br)c1 ZINC000003705498 1063578728 /nfs/dbraw/zinc/57/87/28/1063578728.db2.gz UBXDFTIMINJQDQ-NSHDSACASA-N 1 0 306.203 4.048 50 0 DIAARO CCCC[C@H](CC)CC[NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1 ZINC000089953317 185271432 /nfs/dbraw/zinc/27/14/32/185271432.db2.gz FUCBSMQHBJPZGH-PFRQMTDMSA-N 1 0 301.540 4.262 50 0 DIAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)c1cnccn1 ZINC000090114988 185282727 /nfs/dbraw/zinc/28/27/27/185282727.db2.gz GBUDDTNOMROPIY-PZNPJNSTSA-N 1 0 301.821 4.178 50 0 DIAARO CO[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000090176697 185285155 /nfs/dbraw/zinc/28/51/55/185285155.db2.gz ATZOCFLLZIBIFO-VBKZILBWSA-N 1 0 324.399 4.412 50 0 DIAARO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH2+]C1(C)CCCCC1)C2 ZINC000096999582 185395936 /nfs/dbraw/zinc/39/59/36/185395936.db2.gz YPMHZFTYXKLCHP-MQVJKMGUSA-N 1 0 322.493 4.229 50 0 DIAARO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000095421970 185360802 /nfs/dbraw/zinc/36/08/02/185360802.db2.gz LSGQHKOWIFGMCD-QMMMGPOBSA-N 1 0 316.348 4.043 50 0 DIAARO CC(C)[C@@H](C)[N@H+](Cc1cnc(-c2cccnc2)s1)C1CC1 ZINC000095453805 185369629 /nfs/dbraw/zinc/36/96/29/185369629.db2.gz CMMWCJRDQCWFCG-CYBMUJFWSA-N 1 0 301.459 4.214 50 0 DIAARO CC[C@@H](CSC)[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000095459555 185370701 /nfs/dbraw/zinc/37/07/01/185370701.db2.gz LEKVTNUQPZUNBU-ZDUSSCGKSA-N 1 0 308.878 4.462 50 0 DIAARO C[C@H]([NH2+]Cc1ccnc2[nH]ccc21)c1cccc(C(F)(F)F)c1 ZINC000095462175 185370889 /nfs/dbraw/zinc/37/08/89/185370889.db2.gz JIMVJPQTKVRBHG-NSHDSACASA-N 1 0 319.330 4.433 50 0 DIAARO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2ccccc2)cc1 ZINC000095462537 185371268 /nfs/dbraw/zinc/37/12/68/185371268.db2.gz UJEPOJWZZZCMQY-IBGZPJMESA-N 1 0 311.425 4.168 50 0 DIAARO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)Oc1ccccn1 ZINC000095472036 185372618 /nfs/dbraw/zinc/37/26/18/185372618.db2.gz PKJPMBLDXCYCPP-QGZVFWFLSA-N 1 0 318.420 4.306 50 0 DIAARO C[C@@H]1CC([NH2+]CCCO[C@@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000126613976 185878703 /nfs/dbraw/zinc/87/87/03/185878703.db2.gz DGPPYUDOLOMBQO-JXXFODFXSA-N 1 0 317.473 4.016 50 0 DIAARO Cc1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)nc1C ZINC000071745858 191018941 /nfs/dbraw/zinc/01/89/41/191018941.db2.gz HFTREHDEMKGQDR-SFHVURJKSA-N 1 0 310.441 4.146 50 0 DIAARO c1ccc2c(c1)Cc1cc(C[NH+]3CC(c4ccncc4)C3)ccc1-2 ZINC000072133280 191044060 /nfs/dbraw/zinc/04/40/60/191044060.db2.gz XNWUKVXVFKVGQX-UHFFFAOYSA-N 1 0 312.416 4.252 50 0 DIAARO Fc1ccc(CC[C@@H]2CCC[N@H+](Cc3cscn3)C2)cc1 ZINC000072150396 191055963 /nfs/dbraw/zinc/05/59/63/191055963.db2.gz LVKGHHHBAPUNJH-HNNXBMFYSA-N 1 0 304.434 4.127 50 0 DIAARO Cc1cccc(C[NH+]2CCN(Cc3ccc4occc4c3)CC2)c1 ZINC000072158479 191061301 /nfs/dbraw/zinc/06/13/01/191061301.db2.gz OWONPPQCXNBBRG-UHFFFAOYSA-N 1 0 320.436 4.059 50 0 DIAARO O=C(CCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000072434387 191165389 /nfs/dbraw/zinc/16/53/89/191165389.db2.gz SNWUDLOAKLDHSR-SFHVURJKSA-N 1 0 313.466 4.162 50 0 DIAARO C[C@@H](c1ccco1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000072481185 191181143 /nfs/dbraw/zinc/18/11/43/191181143.db2.gz ZKZMSIPXABNGQG-NSHDSACASA-N 1 0 317.339 4.141 50 0 DIAARO CC[NH+](CC)CCOc1nnc(-c2ccccc2)c2ccccc21 ZINC000000274093 180745158 /nfs/dbraw/zinc/74/51/58/180745158.db2.gz BEMXHXWRMOEJOX-UHFFFAOYSA-N 1 0 321.424 4.017 50 0 DIAARO CC(C)C[NH2+]CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000003283057 181000265 /nfs/dbraw/zinc/00/02/65/181000265.db2.gz ASURSYIPBIIUED-UHFFFAOYSA-N 1 0 312.438 4.062 50 0 DIAARO C[C@@H]([NH2+]C1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003376098 181012694 /nfs/dbraw/zinc/01/26/94/181012694.db2.gz NPKCKQSBTBEGPW-SNVBAGLBSA-N 1 0 315.244 4.243 50 0 DIAARO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000003330406 181006716 /nfs/dbraw/zinc/00/67/16/181006716.db2.gz CWNSKOREBJHEAL-GOSISDBHSA-N 1 0 312.388 4.038 50 0 DIAARO Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000003342423 181009384 /nfs/dbraw/zinc/00/93/84/181009384.db2.gz KHGKWBAKIPQODI-IBGZPJMESA-N 1 0 308.425 4.079 50 0 DIAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(Cl)cc1 ZINC000003904955 181054932 /nfs/dbraw/zinc/05/49/32/181054932.db2.gz GBAHPMMVENBPNR-MGPQQGTHSA-N 1 0 309.837 4.148 50 0 DIAARO C[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)C1(C)O ZINC000004555395 181124209 /nfs/dbraw/zinc/12/42/09/181124209.db2.gz XDCSRNLDRQBFAD-CLRGLAINSA-N 1 0 309.453 4.438 50 0 DIAARO COc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1Br ZINC000004657676 181132938 /nfs/dbraw/zinc/13/29/38/181132938.db2.gz HBXXHQIKNJWXCA-GFCCVEGCSA-N 1 0 320.230 4.309 50 0 DIAARO COCC[NH+](C/C=C/c1ccccc1)C/C=C/c1ccccc1 ZINC000004699194 181139321 /nfs/dbraw/zinc/13/93/21/181139321.db2.gz HYFISBDAPBYJRF-VOMDNODZSA-N 1 0 307.437 4.362 50 0 DIAARO COc1ccc(-c2c[nH+]c(NCc3cccc(C)c3)n2C)cc1 ZINC000004678454 181135253 /nfs/dbraw/zinc/13/52/53/181135253.db2.gz UUSYEYSXLHHMKL-UHFFFAOYSA-N 1 0 307.397 4.016 50 0 DIAARO COc1cccc(-c2c[nH+]c(NCc3ccc(C)cc3)n2C)c1 ZINC000004678471 181135486 /nfs/dbraw/zinc/13/54/86/181135486.db2.gz UVQBXTLZSKNHIY-UHFFFAOYSA-N 1 0 307.397 4.016 50 0 DIAARO CCOc1ccc(CNc2[nH+]cc(-c3ccc(C)cc3)n2C)cc1 ZINC000004678438 181135550 /nfs/dbraw/zinc/13/55/50/181135550.db2.gz PFLHWVXVMIABNQ-UHFFFAOYSA-N 1 0 321.424 4.406 50 0 DIAARO CC(=O)N(CCC[NH+](C)C)C1CCCCCCCCCCC1 ZINC000004728938 181143525 /nfs/dbraw/zinc/14/35/25/181143525.db2.gz CXSLBVWSEQLLTO-UHFFFAOYSA-N 1 0 310.526 4.460 50 0 DIAARO CC(C)(CO)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000004842427 181161366 /nfs/dbraw/zinc/16/13/66/181161366.db2.gz ZJRRATGIBFUDNR-UHFFFAOYSA-N 1 0 314.212 4.114 50 0 DIAARO C[C@H]1C[C@H](C)C[NH+](CCOc2cccc(Cl)c2Cl)C1 ZINC000004906433 181171722 /nfs/dbraw/zinc/17/17/22/181171722.db2.gz YMHIDQHPRVTLET-RYUDHWBXSA-N 1 0 302.245 4.350 50 0 DIAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1Cl ZINC000004942971 181177141 /nfs/dbraw/zinc/17/71/41/181177141.db2.gz SQOMHRVJMSJDFB-UHFFFAOYSA-N 1 0 316.763 4.424 50 0 DIAARO COc1cc2c(cc1OC)C[N@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000004988158 181184866 /nfs/dbraw/zinc/18/48/66/181184866.db2.gz ZYDGKIFUGSIPQP-LFIBNONCSA-N 1 0 323.436 4.165 50 0 DIAARO Cc1ccc(OCC[NH+]2CCCCCC2)c(Br)c1 ZINC000004986255 181185161 /nfs/dbraw/zinc/18/51/61/181185161.db2.gz XNQDMJMGSQNSGY-UHFFFAOYSA-N 1 0 312.251 4.012 50 0 DIAARO CSc1scc(-c2ccccc2)[n+]1NCc1ccccc1 ZINC000005362206 181234329 /nfs/dbraw/zinc/23/43/29/181234329.db2.gz SLNGJQPYZOTFSF-UHFFFAOYSA-N 1 0 313.471 4.168 50 0 DIAARO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000005425643 181242039 /nfs/dbraw/zinc/24/20/39/181242039.db2.gz YGNVKLJXSFNFRU-OAHLLOKOSA-N 1 0 311.425 4.132 50 0 DIAARO CCCCc1ccc(NC(=O)NC2CC[NH+](CCC)CC2)cc1 ZINC000006730540 181378595 /nfs/dbraw/zinc/37/85/95/181378595.db2.gz PKPISDVZVLXAII-UHFFFAOYSA-N 1 0 317.477 4.025 50 0 DIAARO c1[nH]c2ccccc2c1CC[NH2+][C@H]1CSCc2ccccc21 ZINC000095949744 193455713 /nfs/dbraw/zinc/45/57/13/193455713.db2.gz XZNGPLGANZELGO-IBGZPJMESA-N 1 0 308.450 4.288 50 0 DIAARO C[C@H](c1ccc(-c2csc(C(N)=O)c2)cc1)[NH+]1CCCCC1 ZINC000096164939 193559275 /nfs/dbraw/zinc/55/92/75/193559275.db2.gz SEIXABJTXFNIOK-CYBMUJFWSA-N 1 0 314.454 4.061 50 0 DIAARO c1sc(C2CC2)nc1CNc1ccccc1C[NH+]1CCCC1 ZINC000096482785 193664719 /nfs/dbraw/zinc/66/47/19/193664719.db2.gz UMTSGXRDGYEYFA-UHFFFAOYSA-N 1 0 313.470 4.228 50 0 DIAARO O=C(O[C@@H](CC[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000008642423 181569968 /nfs/dbraw/zinc/56/99/68/181569968.db2.gz QQSUYISWMCTZMC-FQEVSTJZSA-N 1 0 323.436 4.461 50 0 DIAARO Cc1cc(C)c(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000009045355 181597661 /nfs/dbraw/zinc/59/76/61/181597661.db2.gz OGQXSBVMESXCLJ-MJGOQNOKSA-N 1 0 315.457 4.033 50 0 DIAARO C[NH+](C)C1(CNC(=O)Nc2ccccc2Cl)CCCCCC1 ZINC000012927591 181812876 /nfs/dbraw/zinc/81/28/76/181812876.db2.gz BSNNPFDPBJKIMI-UHFFFAOYSA-N 1 0 323.868 4.116 50 0 DIAARO CCCC[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000016476501 182046747 /nfs/dbraw/zinc/04/67/47/182046747.db2.gz JEHJREMUJUWUKU-IBGZPJMESA-N 1 0 310.441 4.407 50 0 DIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C)cc(C)c2)cc1 ZINC000016779952 182060967 /nfs/dbraw/zinc/06/09/67/182060967.db2.gz JJTPXMODHMKSCW-UHFFFAOYSA-N 1 0 324.468 4.075 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccc(OC)c3ccccc23)cc1 ZINC000016671267 182056762 /nfs/dbraw/zinc/05/67/62/182056762.db2.gz SNBZXHDTILHVJS-UHFFFAOYSA-N 1 0 321.420 4.189 50 0 DIAARO Clc1ccc(-c2c[n+](CCc3ccccc3)c3n2CCC3)cc1 ZINC000017206736 182079804 /nfs/dbraw/zinc/07/98/04/182079804.db2.gz XVWWXTRNPLMRAS-UHFFFAOYSA-N 1 0 323.847 4.285 50 0 DIAARO Clc1ccc([C@@H]2CCC[N@H+](CCc3cccnc3)C2)cc1 ZINC000019146008 182105937 /nfs/dbraw/zinc/10/59/37/182105937.db2.gz SPPUSGMLRVVNLO-QGZVFWFLSA-N 1 0 300.833 4.157 50 0 DIAARO FC(F)(F)c1ccccc1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019300566 182114530 /nfs/dbraw/zinc/11/45/30/182114530.db2.gz HCJDUKIQGBZKBQ-MRXNPFEDSA-N 1 0 316.326 4.422 50 0 DIAARO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OC ZINC000019532157 182129250 /nfs/dbraw/zinc/12/92/50/182129250.db2.gz XQXZSNPUDSIDNW-UHFFFAOYSA-N 1 0 319.832 4.080 50 0 DIAARO CC1CCC([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000019788962 182148829 /nfs/dbraw/zinc/14/88/29/182148829.db2.gz OOSGYWSGRDBRKV-UHFFFAOYSA-N 1 0 306.881 4.036 50 0 DIAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000019831642 182154637 /nfs/dbraw/zinc/15/46/37/182154637.db2.gz NIRUOPOIPAZYMS-MAUKXSAKSA-N 1 0 306.881 4.036 50 0 DIAARO COc1cccc(CC[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000019855970 182156992 /nfs/dbraw/zinc/15/69/92/182156992.db2.gz QGAQBUGDIXAVSO-UHFFFAOYSA-N 1 0 309.331 4.046 50 0 DIAARO CCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000019871761 182158746 /nfs/dbraw/zinc/15/87/46/182158746.db2.gz NAIWNNGEUGEMTC-UHFFFAOYSA-N 1 0 307.796 4.210 50 0 DIAARO C[N@H+](C[C@]1(c2ccc(F)cc2)CCOC1)C1CCCCCC1 ZINC000019883724 182160776 /nfs/dbraw/zinc/16/07/76/182160776.db2.gz CRGODGAQCACTMX-LJQANCHMSA-N 1 0 305.437 4.138 50 0 DIAARO c1[nH]c2ccccc2c1CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019889672 182160779 /nfs/dbraw/zinc/16/07/79/182160779.db2.gz NKCLIJJJSAOWGC-UHFFFAOYSA-N 1 0 311.473 4.008 50 0 DIAARO c1cc(C2CCCC2)sc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019884361 182160788 /nfs/dbraw/zinc/16/07/88/182160788.db2.gz HJQFDWKXJHFQCV-QGZVFWFLSA-N 1 0 318.530 4.466 50 0 DIAARO COc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cc(OC)c1 ZINC000020016094 182178555 /nfs/dbraw/zinc/17/85/55/182178555.db2.gz GVWGXIVDLBXQII-LBPRGKRZSA-N 1 0 305.805 4.208 50 0 DIAARO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc(Br)cc1 ZINC000020127544 182190181 /nfs/dbraw/zinc/19/01/81/182190181.db2.gz JWRVWFSOKODUGN-VXGBXAGGSA-N 1 0 305.219 4.256 50 0 DIAARO Cc1cc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(C(C)C)c1 ZINC000020166866 182194082 /nfs/dbraw/zinc/19/40/82/182194082.db2.gz GTFXIXHZLGHJRL-QZTJIDSGSA-N 1 0 319.489 4.387 50 0 DIAARO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@@H](O)c1ccccc1 ZINC000020312692 182205513 /nfs/dbraw/zinc/20/55/13/182205513.db2.gz YSZXGHITYXCDQV-MEDUHNTESA-N 1 0 310.224 4.205 50 0 DIAARO CC(C)CC[C@@H](CC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000020573567 182234123 /nfs/dbraw/zinc/23/41/23/182234123.db2.gz CKZXYKDYTTZJGL-SFHVURJKSA-N 1 0 322.924 4.497 50 0 DIAARO CC(C)[NH+](CCNc1ccnc2cc(Cl)ccc21)C(C)C ZINC000020552561 182230766 /nfs/dbraw/zinc/23/07/66/182230766.db2.gz HXCFNOVWOXJACK-UHFFFAOYSA-N 1 0 305.853 4.419 50 0 DIAARO COc1ccc(C[N@@H+]2CCc3ccccc3C2)c2ccccc12 ZINC000023281653 182355897 /nfs/dbraw/zinc/35/58/97/182355897.db2.gz XFDXSUGYTVAIDN-UHFFFAOYSA-N 1 0 303.405 4.407 50 0 DIAARO c1ccc2c(c1)cccc2OCCCCCC[NH+]1CCOCC1 ZINC000023115486 182348841 /nfs/dbraw/zinc/34/88/41/182348841.db2.gz GVZYNNYSYBJQBV-UHFFFAOYSA-N 1 0 313.441 4.111 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000040040714 183029271 /nfs/dbraw/zinc/02/92/71/183029271.db2.gz NBSYSPUTHCUZQT-ROUUACIJSA-N 1 0 302.462 4.340 50 0 DIAARO CC(C)c1ccccc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000040049892 183030292 /nfs/dbraw/zinc/03/02/92/183030292.db2.gz JNKMKBGVDPXLPW-FQEVSTJZSA-N 1 0 322.452 4.368 50 0 DIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000041362965 183186862 /nfs/dbraw/zinc/18/68/62/183186862.db2.gz ILCGTASCJZFVMQ-CHWSQXEVSA-N 1 0 304.821 4.473 50 0 DIAARO Clc1cc(Cl)c(OCC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000042772320 183306658 /nfs/dbraw/zinc/30/66/58/183306658.db2.gz HSKSSGATUILFKU-SECBINFHSA-N 1 0 308.636 4.415 50 0 DIAARO Clc1cc(Cl)c(OCCC2CC[NH2+]CC2)cc1Cl ZINC000042772313 183307164 /nfs/dbraw/zinc/30/71/64/183307164.db2.gz DPGWWTYNEWGPFD-UHFFFAOYSA-N 1 0 308.636 4.415 50 0 DIAARO c1ccc([C@H]2C[N@@H+](Cc3cccnc3)Cc3ccccc32)cc1 ZINC000043670550 183378551 /nfs/dbraw/zinc/37/85/51/183378551.db2.gz YXEFCMBKCLLCHG-OAQYLSRUSA-N 1 0 300.405 4.229 50 0 DIAARO CC1CC[NH+](CCCCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000047016296 183578268 /nfs/dbraw/zinc/57/82/68/183578268.db2.gz ADOAMCPWRGNQGQ-UHFFFAOYSA-N 1 0 324.468 4.082 50 0 DIAARO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000057676261 184045917 /nfs/dbraw/zinc/04/59/17/184045917.db2.gz LFAPEZVNSKLWRI-MRXNPFEDSA-N 1 0 320.436 4.488 50 0 DIAARO CC(C)C[NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000057692833 184046882 /nfs/dbraw/zinc/04/68/82/184046882.db2.gz UGOHHZZBWXHYKA-IBGZPJMESA-N 1 0 306.409 4.338 50 0 DIAARO CCCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000057503903 184040533 /nfs/dbraw/zinc/04/05/33/184040533.db2.gz IKNJMIABBUCNKX-LJQANCHMSA-N 1 0 306.409 4.482 50 0 DIAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccccc1 ZINC000061002720 184159616 /nfs/dbraw/zinc/15/96/16/184159616.db2.gz OUJDDAXTEOSMLT-UHFFFAOYSA-N 1 0 319.452 4.146 50 0 DIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccccc1C ZINC000065154894 184312855 /nfs/dbraw/zinc/31/28/55/184312855.db2.gz KODIACORQBMKNG-UHFFFAOYSA-N 1 0 305.425 4.087 50 0 DIAARO CC(C)c1ccsc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000064709935 184302871 /nfs/dbraw/zinc/30/28/71/184302871.db2.gz NMPSSGCDGZVAJN-UHFFFAOYSA-N 1 0 322.518 4.256 50 0 DIAARO c1ccc2c(C[NH+]3CCC(c4ccncc4)CC3)ccnc2c1 ZINC000065372417 184330012 /nfs/dbraw/zinc/33/00/12/184330012.db2.gz AGJPGAWJTUNQFN-UHFFFAOYSA-N 1 0 303.409 4.009 50 0 DIAARO CCc1ccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCC[NH2+]2)o1 ZINC000065408128 184339149 /nfs/dbraw/zinc/33/91/49/184339149.db2.gz IRCMGWXVCSBMRR-MRXNPFEDSA-N 1 0 321.424 4.125 50 0 DIAARO COc1cccc(OC)c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065410869 184340226 /nfs/dbraw/zinc/34/02/26/184340226.db2.gz OBNSTVRMCGLHOY-UHFFFAOYSA-N 1 0 311.425 4.357 50 0 DIAARO CC(C)[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C1CCCC1 ZINC000065475413 184351986 /nfs/dbraw/zinc/35/19/86/184351986.db2.gz KMEZCLJSZQIBKL-CQSZACIVSA-N 1 0 322.880 4.170 50 0 DIAARO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1 ZINC000279631425 257237853 /nfs/dbraw/zinc/23/78/53/257237853.db2.gz BVDOQWROGFRTOT-RYUDHWBXSA-N 1 0 305.219 4.256 50 0 DIAARO COc1ccc(-c2ccc(C[NH+]3CCCCC3)cn2)cc1Cl ZINC000426613640 257245104 /nfs/dbraw/zinc/24/51/04/257245104.db2.gz OEDTWYJUFWQYHM-UHFFFAOYSA-N 1 0 316.832 4.397 50 0 DIAARO C[C@H](c1ccc(-c2cnc3ccc(F)cn32)cc1)[NH+]1CCCC1 ZINC000426396350 257252454 /nfs/dbraw/zinc/25/24/54/257252454.db2.gz DXPPUSHOOUIXNY-CQSZACIVSA-N 1 0 309.388 4.297 50 0 DIAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(CO)c2)cc1Cl ZINC000426368162 257253108 /nfs/dbraw/zinc/25/31/08/257253108.db2.gz CVUFVQXWIWWOMV-CQSZACIVSA-N 1 0 315.844 4.484 50 0 DIAARO O=[N+]1C(c2ccc(-c3ccccc3)cc2)=CN(O)[C@H]2CCCC[C@H]21 ZINC000334157319 257261842 /nfs/dbraw/zinc/26/18/42/257261842.db2.gz WCTJKYVODWDZRK-RBUKOAKNSA-N 1 0 321.400 4.447 50 0 DIAARO CCCCCCOc1ccc(CNCCC[NH+](CC)CC)cc1 ZINC000004686980 257267645 /nfs/dbraw/zinc/26/76/45/257267645.db2.gz ZQUWVICWDZWOJH-UHFFFAOYSA-N 1 0 320.521 4.467 50 0 DIAARO C[C@@H]([NH2+][C@H]1CCCO[C@@H]1c1ccncc1)c1cc2ccccc2o1 ZINC000291411356 222374137 /nfs/dbraw/zinc/37/41/37/222374137.db2.gz GOBFCDLOHBGDQB-CFLQYTFWSA-N 1 0 322.408 4.399 50 0 DIAARO c1sc(C[NH2+]C[C@H]2COc3ccccc32)nc1-c1ccccc1 ZINC000342428587 334540131 /nfs/dbraw/zinc/54/01/31/334540131.db2.gz OLAUDZTXLZBLKT-HNNXBMFYSA-N 1 0 322.433 4.076 50 0 DIAARO c1c[nH]c([C@H]2CCCCN2c2nc(C3CCCCC3)ns2)n1 ZINC000333756648 336209689 /nfs/dbraw/zinc/20/96/89/336209689.db2.gz ZWDAPBABDZPSTN-CYBMUJFWSA-N 1 0 317.462 4.041 50 0 DIAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nccc3ccsc32)C1 ZINC000328592725 534228734 /nfs/dbraw/zinc/22/87/34/534228734.db2.gz VMCMSPDJZKDULC-IJEWVQPXSA-N 1 0 315.486 4.138 50 0 DIAARO CCCCC1CCC(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000011917190 563602221 /nfs/dbraw/zinc/60/22/21/563602221.db2.gz IXCLHUBHMUPSDQ-UHFFFAOYSA-N 1 0 322.537 4.364 50 0 DIAARO COc1ccc(C[NH2+]C2CCCCCC2)cc1Br ZINC000004685548 563327378 /nfs/dbraw/zinc/32/73/78/563327378.db2.gz NUEXFUILIXPGOV-UHFFFAOYSA-N 1 0 312.251 4.270 50 0 DIAARO C[NH+](C)Cc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000000060956 563212175 /nfs/dbraw/zinc/21/21/75/563212175.db2.gz ZCQASUAIDSPMGY-UHFFFAOYSA-N 1 0 311.425 4.265 50 0 DIAARO Cc1cccc(CSc2ccccc2C2=[NH+]CCCN2)c1F ZINC000000139287 563222942 /nfs/dbraw/zinc/22/29/42/563222942.db2.gz FACHYGKITVNQLZ-UHFFFAOYSA-N 1 0 314.429 4.166 50 0 DIAARO CC(C)=CCC[C@H](C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000000214463 563230889 /nfs/dbraw/zinc/23/08/89/563230889.db2.gz WBTOYJQHYYBOHL-KRWDZBQOSA-N 1 0 304.453 4.330 50 0 DIAARO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000000309164 563239045 /nfs/dbraw/zinc/23/90/45/563239045.db2.gz UUDLUCKIEGFRRV-LJQANCHMSA-N 1 0 322.452 4.154 50 0 DIAARO CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000000454658 563257010 /nfs/dbraw/zinc/25/70/10/563257010.db2.gz NQEGBNHHGHJOKN-UHFFFAOYSA-N 1 0 316.832 4.191 50 0 DIAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001152544 563278570 /nfs/dbraw/zinc/27/85/70/563278570.db2.gz VCCXURGIJROYHV-HNNXBMFYSA-N 1 0 303.446 4.015 50 0 DIAARO COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1C ZINC000001227235 563279950 /nfs/dbraw/zinc/27/99/50/563279950.db2.gz BZRMIWOFYBDEJK-UHFFFAOYSA-N 1 0 309.453 4.458 50 0 DIAARO COc1ccccc1N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000001227525 563280192 /nfs/dbraw/zinc/28/01/92/563280192.db2.gz HNSHGNCYDWILSA-UHFFFAOYSA-N 1 0 324.468 4.141 50 0 DIAARO CCCCCSc1cc(OC)c(CC[NH+](C)C)cc1OC ZINC000002187341 563301497 /nfs/dbraw/zinc/30/14/97/563301497.db2.gz FGNRFRYZVFTXMK-UHFFFAOYSA-N 1 0 311.491 4.090 50 0 DIAARO CCC[NH+](CCC)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002274347 563302227 /nfs/dbraw/zinc/30/22/27/563302227.db2.gz HFEQTENZBXONEC-QGZVFWFLSA-N 1 0 324.468 4.277 50 0 DIAARO Cc1cc(C)c(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c(C)c1 ZINC000002451096 563303691 /nfs/dbraw/zinc/30/36/91/563303691.db2.gz RPHSSDPQHQPIOG-QGZVFWFLSA-N 1 0 321.505 4.156 50 0 DIAARO C[C@H](CC[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000002489715 563304254 /nfs/dbraw/zinc/30/42/54/563304254.db2.gz BZYRGPLDDVQNDQ-QGZVFWFLSA-N 1 0 312.432 4.142 50 0 DIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)c(F)c1 ZINC000002514534 563305488 /nfs/dbraw/zinc/30/54/88/563305488.db2.gz KMPUPAJNUYLMFT-UHFFFAOYSA-N 1 0 315.363 4.182 50 0 DIAARO O=C(c1ccc(F)cc1Cl)c1ccccc1C[NH+]1CCCC1 ZINC000002515577 563306021 /nfs/dbraw/zinc/30/60/21/563306021.db2.gz GUIVEUYOKOERHR-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO O=C(c1cc(F)cc(Cl)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515578 563306263 /nfs/dbraw/zinc/30/62/63/563306263.db2.gz COOCFFXUFPOJSP-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO Brc1ccccc1OCCCC[NH+]1CCCCC1 ZINC000003106085 563321912 /nfs/dbraw/zinc/32/19/12/563321912.db2.gz SGEBYYDHCQAOPO-UHFFFAOYSA-N 1 0 312.251 4.094 50 0 DIAARO CC[C@@H](Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccccc1 ZINC000071909502 563333142 /nfs/dbraw/zinc/33/31/42/563333142.db2.gz PCSWONIUOLMVAY-OAQYLSRUSA-N 1 0 324.468 4.207 50 0 DIAARO CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C(C)(C)C)C[N@H+](C)[C@H]1C ZINC000002750099 563341408 /nfs/dbraw/zinc/34/14/08/563341408.db2.gz HXMYADUYVHAIOZ-XAUMDUMWSA-N 1 0 317.473 4.221 50 0 DIAARO CC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008227307 563345501 /nfs/dbraw/zinc/34/55/01/563345501.db2.gz OQZBAVJHONOIAJ-UHFFFAOYSA-N 1 0 305.805 4.037 50 0 DIAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000010435812 563356630 /nfs/dbraw/zinc/35/66/30/563356630.db2.gz IKIVXTFUNTZBAH-UHFFFAOYSA-N 1 0 319.832 4.426 50 0 DIAARO CCC(CC)[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2F)c1C ZINC000011932970 563361024 /nfs/dbraw/zinc/36/10/24/563361024.db2.gz XOZOYXUDSMCMEM-LLVKDONJSA-N 1 0 307.388 4.298 50 0 DIAARO Fc1ccc(Oc2ncccc2C[NH2+]C2CCCC2)c(F)c1 ZINC000012304134 563366507 /nfs/dbraw/zinc/36/65/07/563366507.db2.gz BEJVHJKNDSAJNN-UHFFFAOYSA-N 1 0 304.340 4.184 50 0 DIAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012303362 563366572 /nfs/dbraw/zinc/36/65/72/563366572.db2.gz RQSQPNCXGWETIO-HXUWFJFHSA-N 1 0 309.457 4.282 50 0 DIAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000012385479 563368133 /nfs/dbraw/zinc/36/81/33/563368133.db2.gz LKMWOMUMLMDAFQ-QGZVFWFLSA-N 1 0 320.521 4.140 50 0 DIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccoc3)C2)cc1 ZINC000012465970 563369990 /nfs/dbraw/zinc/36/99/90/563369990.db2.gz YODBDKOTIARZIU-MRXNPFEDSA-N 1 0 315.438 4.096 50 0 DIAARO CN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000013039471 563377510 /nfs/dbraw/zinc/37/75/10/563377510.db2.gz YKEGWQHRLCODRJ-UHFFFAOYSA-N 1 0 323.223 4.064 50 0 DIAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1 ZINC000013136929 563379703 /nfs/dbraw/zinc/37/97/03/563379703.db2.gz GBAHPMMVENBPNR-MJBXVCDLSA-N 1 0 309.837 4.148 50 0 DIAARO Cc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 ZINC000013496724 563382759 /nfs/dbraw/zinc/38/27/59/563382759.db2.gz JCRUYLYCFWCHJV-UHFFFAOYSA-N 1 0 307.442 4.236 50 0 DIAARO CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C2CCCCC2)C[C@@H]1C ZINC000013635206 563384506 /nfs/dbraw/zinc/38/45/06/563384506.db2.gz YHAZEJUWPWABOU-JXFKEZNVSA-N 1 0 315.457 4.120 50 0 DIAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631257 563402112 /nfs/dbraw/zinc/40/21/12/563402112.db2.gz CEADWIJTPPOBLJ-QGZVFWFLSA-N 1 0 309.453 4.391 50 0 DIAARO Clc1ccc(OC[C@H]2CCC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000014631354 563402139 /nfs/dbraw/zinc/40/21/39/563402139.db2.gz IVFKBLIVRXZTLF-INIZCTEOSA-N 1 0 315.844 4.309 50 0 DIAARO Fc1cccc(CC[C@H]2CCC[N@H+](Cc3nccs3)C2)c1 ZINC000014974419 563404270 /nfs/dbraw/zinc/40/42/70/563404270.db2.gz NRQZBVRXGJOXMT-OAHLLOKOSA-N 1 0 304.434 4.127 50 0 DIAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](C2CCCCC2)C1 ZINC000014972275 563404495 /nfs/dbraw/zinc/40/44/95/563404495.db2.gz FQIRDTIXHWALDZ-IBGZPJMESA-N 1 0 321.892 4.290 50 0 DIAARO Cc1c([C@H](C)[NH2+]CCc2ccccc2)cnn1-c1cccc(F)c1 ZINC000014949158 563404762 /nfs/dbraw/zinc/40/47/62/563404762.db2.gz GAWNPWSULNDIFD-HNNXBMFYSA-N 1 0 323.415 4.213 50 0 DIAARO Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000015064602 563406105 /nfs/dbraw/zinc/40/61/05/563406105.db2.gz WDVVUEPEEYCOAM-XXIDSNJLSA-N 1 0 310.416 4.415 50 0 DIAARO Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCCC[C@@H]3O)cs2)cs1 ZINC000165259439 563407653 /nfs/dbraw/zinc/40/76/53/563407653.db2.gz HHYOALFLDJVXJW-XEGUGMAKSA-N 1 0 322.499 4.134 50 0 DIAARO COc1ccc([C@H]2CCC[N@@H+]2CCc2ccc3c(c2)CCO3)cc1 ZINC000441197327 563412267 /nfs/dbraw/zinc/41/22/67/563412267.db2.gz MLUNNIRDKIBTFI-HXUWFJFHSA-N 1 0 323.436 4.010 50 0 DIAARO c1ccc(-c2cccc(N3CCC([NH2+]C4CCC4)CC3)c2)cc1 ZINC000023232131 563419600 /nfs/dbraw/zinc/41/96/00/563419600.db2.gz XDDAXACFVJPXOX-UHFFFAOYSA-N 1 0 306.453 4.465 50 0 DIAARO c1coc(-c2ccc(N3CCC([N@H+]4CC=CCC4)CC3)cc2)c1 ZINC000023379918 563419644 /nfs/dbraw/zinc/41/96/44/563419644.db2.gz HEDOWFKRMKFNQY-UHFFFAOYSA-N 1 0 308.425 4.177 50 0 DIAARO CCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027584006 563428835 /nfs/dbraw/zinc/42/88/35/563428835.db2.gz MWGAYMDASWGHAG-KRWDZBQOSA-N 1 0 322.880 4.173 50 0 DIAARO CCC(CC)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027741432 563429297 /nfs/dbraw/zinc/42/92/97/563429297.db2.gz ZQCUJOPBAIQSMF-INIZCTEOSA-N 1 0 322.518 4.218 50 0 DIAARO CCC(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027661959 563429402 /nfs/dbraw/zinc/42/94/02/563429402.db2.gz SLYQMQCVXSLDQI-QGZVFWFLSA-N 1 0 322.880 4.029 50 0 DIAARO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](C)CCCC(C)(C)O)c1C ZINC000032598303 563442362 /nfs/dbraw/zinc/44/23/62/563442362.db2.gz JZIBUDKNUBDIOY-OAHLLOKOSA-N 1 0 319.489 4.234 50 0 DIAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1c1ccccc1Cl ZINC000033087108 563444313 /nfs/dbraw/zinc/44/43/13/563444313.db2.gz MEAVTFOQQPCHKR-GOSISDBHSA-N 1 0 317.864 4.499 50 0 DIAARO O[C@@H]1CCCC[C@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001225616 563447921 /nfs/dbraw/zinc/44/79/21/563447921.db2.gz LXRYGMJORBWRRO-LEWJYISDSA-N 1 0 309.453 4.240 50 0 DIAARO CCOc1ccc2nc(Cl)c(C[NH2+]C3CCCC3)cc2c1 ZINC000013534779 563464736 /nfs/dbraw/zinc/46/47/36/563464736.db2.gz YIUQQAGTXHJHMO-UHFFFAOYSA-N 1 0 304.821 4.319 50 0 DIAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cnc3ccccc3c2)c1 ZINC000055309255 563473731 /nfs/dbraw/zinc/47/37/31/563473731.db2.gz ZCENNSUXWOCTPC-INIZCTEOSA-N 1 0 305.425 4.001 50 0 DIAARO CN(Cc1nnc(C2CC2)o1)Cc1ccccc1-c1ccccc1 ZINC000058341471 563478427 /nfs/dbraw/zinc/47/84/27/563478427.db2.gz JHYZDXLOBAUKAF-UHFFFAOYSA-N 1 0 319.408 4.246 50 0 DIAARO Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000058158234 563478839 /nfs/dbraw/zinc/47/88/39/563478839.db2.gz YKSCEPFGRIDONN-GOSISDBHSA-N 1 0 307.397 4.315 50 0 DIAARO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1ccon1 ZINC000096468539 563483499 /nfs/dbraw/zinc/48/34/99/563483499.db2.gz UPPYUPYHUKFDAZ-CYBMUJFWSA-N 1 0 313.426 4.300 50 0 DIAARO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1ccon1 ZINC000096468543 563483903 /nfs/dbraw/zinc/48/39/03/563483903.db2.gz UPPYUPYHUKFDAZ-ZDUSSCGKSA-N 1 0 313.426 4.300 50 0 DIAARO CC[C@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccc(F)cc1 ZINC000096477575 563484573 /nfs/dbraw/zinc/48/45/73/563484573.db2.gz QXRRXRAEYKZMQO-SFHVURJKSA-N 1 0 315.388 4.112 50 0 DIAARO CCC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2cnc(C)s2)cc1 ZINC000096485579 563485432 /nfs/dbraw/zinc/48/54/32/563485432.db2.gz WDCGXGQBNOFSSI-RYUDHWBXSA-N 1 0 317.458 4.212 50 0 DIAARO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000064666859 563485849 /nfs/dbraw/zinc/48/58/49/563485849.db2.gz VTBFVCUZPACPRL-GOSISDBHSA-N 1 0 314.429 4.499 50 0 DIAARO Cc1ccc2[nH]c([C@@H]([NH2+]C3CCSCC3)C(C)C)nc2c1 ZINC000067673486 563488665 /nfs/dbraw/zinc/48/86/65/563488665.db2.gz DVAQGAKYMSORIP-INIZCTEOSA-N 1 0 303.475 4.054 50 0 DIAARO C[NH2+]CCCn1cnc(-c2ccccc2)c1-c1cc(C)c(C)o1 ZINC000067691491 563488671 /nfs/dbraw/zinc/48/86/71/563488671.db2.gz LKNWXDFQCSXCRK-UHFFFAOYSA-N 1 0 309.413 4.036 50 0 DIAARO CCC[C@@H](C)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067674124 563488689 /nfs/dbraw/zinc/48/86/89/563488689.db2.gz WMGWXYURLVTVSF-GFCCVEGCSA-N 1 0 306.356 4.430 50 0 DIAARO C[C@@H](c1ccncc1)N(C)Cc1ccccc1OC(F)(F)F ZINC000067716184 563489627 /nfs/dbraw/zinc/48/96/27/563489627.db2.gz NFEHJIMDBIRVKR-LBPRGKRZSA-N 1 0 310.319 4.173 50 0 DIAARO COc1cccc(Oc2ccc(C[NH+]3CCCC3)cc2OC)c1 ZINC000067803809 563491378 /nfs/dbraw/zinc/49/13/78/563491378.db2.gz AAIIGAAHFSZIPC-UHFFFAOYSA-N 1 0 313.397 4.092 50 0 DIAARO C[C@@H](CCCC(C)(C)O)n1ccnc1-c1ccc(O)c(Cl)c1 ZINC000067973731 563493723 /nfs/dbraw/zinc/49/37/23/563493723.db2.gz VGHDUETXYUWLAH-LBPRGKRZSA-N 1 0 322.836 4.411 50 0 DIAARO CSc1cccc(C[NH+]2CCC([C@H](O)CC(C)C)CC2)c1 ZINC000077303861 563508124 /nfs/dbraw/zinc/50/81/24/563508124.db2.gz YDUZWGHKKJKDJZ-GOSISDBHSA-N 1 0 307.503 4.028 50 0 DIAARO Cc1ccc(-c2nccn2C[C@@H](c2sccc2C)[NH+](C)C)o1 ZINC000077286790 563508388 /nfs/dbraw/zinc/50/83/88/563508388.db2.gz RIHOEZUHPXSLMH-AWEZNQCLSA-N 1 0 315.442 4.124 50 0 DIAARO Clc1ccc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2)s1 ZINC000077438312 563510079 /nfs/dbraw/zinc/51/00/79/563510079.db2.gz ARPNQHLZWSEHGS-ZDUSSCGKSA-N 1 0 309.866 4.043 50 0 DIAARO C[NH+](C)Cc1c(=O)c2cc(Cl)ccc2[nH]c1-c1ccccc1 ZINC000008717957 563523344 /nfs/dbraw/zinc/52/33/44/563523344.db2.gz WJKFJLKNXBRDQI-UHFFFAOYSA-N 1 0 312.800 4.322 50 0 DIAARO CC(C)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccsc2)cc1 ZINC000011438345 563527059 /nfs/dbraw/zinc/52/70/59/563527059.db2.gz VHWZMTYOTGKMPS-CQSZACIVSA-N 1 0 316.470 4.331 50 0 DIAARO COc1cc(Cl)cc(OC)c1-c1cccc2c(N)cc[nH+]c21 ZINC000096142091 563534125 /nfs/dbraw/zinc/53/41/25/563534125.db2.gz MHVGPRIVWLEOMF-UHFFFAOYSA-N 1 0 314.772 4.155 50 0 DIAARO c1ccc2c(c1)sc1ccc(-c3nc4c([nH]3)C[NH2+]CC4)cc12 ZINC000097742833 563541651 /nfs/dbraw/zinc/54/16/51/563541651.db2.gz MWEHUYMQNBXAQL-UHFFFAOYSA-N 1 0 305.406 4.090 50 0 DIAARO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C)n2)cc1 ZINC000102443222 563559488 /nfs/dbraw/zinc/55/94/88/563559488.db2.gz FOQHQQLHZJQAKG-FNLKRUPLSA-N 1 0 322.452 4.309 50 0 DIAARO CC1=C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(Cl)cc2)N1O ZINC000033669300 563595569 /nfs/dbraw/zinc/59/55/69/563595569.db2.gz SNCPWGACBWQWEA-QGZVFWFLSA-N 1 0 315.780 4.385 50 0 DIAARO Clc1ccc(CN2c3ccccc3N3CC[NH+]=C23)cc1Cl ZINC000100573172 563596183 /nfs/dbraw/zinc/59/61/83/563596183.db2.gz OMCKFLDQQYNNMS-UHFFFAOYSA-N 1 0 318.207 4.190 50 0 DIAARO C[C@@H]1C[C@H](c2cccnc2)N(Cc2ncccc2C(F)(F)F)C1 ZINC000252552885 563610775 /nfs/dbraw/zinc/61/07/75/563610775.db2.gz VEDLWDKSIAHWLU-MLGOLLRUSA-N 1 0 321.346 4.079 50 0 DIAARO C[NH+](C)CCCN1c2cc(Cl)ccc2S[C@H]2C=CC=C[C@@H]21 ZINC000206671313 563626237 /nfs/dbraw/zinc/62/62/37/563626237.db2.gz JUIPSBKQGLNCMP-HOCLYGCPSA-N 1 0 320.889 4.067 50 0 DIAARO CO[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000000293457 563629404 /nfs/dbraw/zinc/62/94/04/563629404.db2.gz IUSFWLVPOJVAGO-LSDHHAIUSA-N 1 0 302.245 4.083 50 0 DIAARO CCOc1cc(C[NH2+][C@H]2CCCc3ccccc32)ccc1OC ZINC000004685529 563637138 /nfs/dbraw/zinc/63/71/38/563637138.db2.gz VQHOXKUFLKWHPH-SFHVURJKSA-N 1 0 311.425 4.261 50 0 DIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000012383625 563652448 /nfs/dbraw/zinc/65/24/48/563652448.db2.gz CTTRIVBSWYFXMI-CYBMUJFWSA-N 1 0 323.358 4.435 50 0 DIAARO Clc1ccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c(Cl)c1 ZINC000014196645 563665876 /nfs/dbraw/zinc/66/58/76/563665876.db2.gz AGKZKKKAAZXHSZ-STQMWFEESA-N 1 0 315.269 4.497 50 0 DIAARO Cc1cc(C)cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000045958326 563690921 /nfs/dbraw/zinc/69/09/21/563690921.db2.gz MQOXZVNMMDVLES-QGZVFWFLSA-N 1 0 317.477 4.080 50 0 DIAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH3+] ZINC000028294662 563697838 /nfs/dbraw/zinc/69/78/38/563697838.db2.gz SNWGRADGFKNELG-BCPGGHEJSA-N 1 0 305.506 4.109 50 0 DIAARO c1c(C[N@@H+]2CCC[C@H]2c2ccccn2)onc1-c1ccccc1 ZINC000215478622 563705176 /nfs/dbraw/zinc/70/51/76/563705176.db2.gz GQHUUNSMTFIVHC-IBGZPJMESA-N 1 0 305.381 4.074 50 0 DIAARO C[N@H+](Cc1ccc([C@H]2CCCO2)s1)C1Cc2ccccc2C1 ZINC000215538850 563706196 /nfs/dbraw/zinc/70/61/96/563706196.db2.gz HKGNMPLTRKBOCX-GOSISDBHSA-N 1 0 313.466 4.199 50 0 DIAARO CC(C)c1ccc(NC(=O)[C@@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000007043378 563712609 /nfs/dbraw/zinc/71/26/09/563712609.db2.gz IGPXYDIIFGZSJT-OAHLLOKOSA-N 1 0 302.462 4.449 50 0 DIAARO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000241515600 563777331 /nfs/dbraw/zinc/77/73/31/563777331.db2.gz OGKSXUYCCKUANP-SLYNCCJLSA-N 1 0 309.453 4.297 50 0 DIAARO Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2ccccn2)c(C)c1 ZINC000244719172 563779122 /nfs/dbraw/zinc/77/91/22/563779122.db2.gz LYDXOJADMMSJED-LJQANCHMSA-N 1 0 310.441 4.304 50 0 DIAARO CCc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000078739045 563782031 /nfs/dbraw/zinc/78/20/31/563782031.db2.gz ILQKCPWRQAHCKN-HZPDHXFCSA-N 1 0 310.441 4.317 50 0 DIAARO Cc1nc2ccccc2n1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000012548306 563800371 /nfs/dbraw/zinc/80/03/71/563800371.db2.gz PRIHFRSWGVAFOM-UHFFFAOYSA-N 1 0 303.409 4.092 50 0 DIAARO Cn1cc(C[N@H+]2CC=C(c3ccccc3)CC2)c2ccccc21 ZINC000012555040 563801054 /nfs/dbraw/zinc/80/10/54/563801054.db2.gz CQGXXOCYRWXJRV-UHFFFAOYSA-N 1 0 302.421 4.468 50 0 DIAARO CC[C@H](C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000299787650 563806350 /nfs/dbraw/zinc/80/63/50/563806350.db2.gz YBKLAMPEVVEFDI-HOCLYGCPSA-N 1 0 315.436 4.441 50 0 DIAARO Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2)C2CC2)cc1 ZINC000012679049 563809256 /nfs/dbraw/zinc/80/92/56/563809256.db2.gz DMSUQMWEYKZPOX-DNVCBOLYSA-N 1 0 308.425 4.063 50 0 DIAARO CC1(C)CC[C@H]([NH2+]Cc2cccc3c2OCO3)c2ccccc21 ZINC000084673359 563829698 /nfs/dbraw/zinc/82/96/98/563829698.db2.gz YMFWDXDBFAJRQD-KRWDZBQOSA-N 1 0 309.409 4.318 50 0 DIAARO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012921512 563854223 /nfs/dbraw/zinc/85/42/23/563854223.db2.gz OGNODPQGJXZMCI-MRXNPFEDSA-N 1 0 318.420 4.299 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Br)c1cccnc1 ZINC000090400559 563870505 /nfs/dbraw/zinc/87/05/05/563870505.db2.gz UANMGTAHITXXOQ-QWHCGFSZSA-N 1 0 319.246 4.126 50 0 DIAARO CC[C@@H](NCc1ncccc1F)c1ccccc1Br ZINC000090720296 563874513 /nfs/dbraw/zinc/87/45/13/563874513.db2.gz VMSGHFBGCRXWDR-CQSZACIVSA-N 1 0 323.209 4.224 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1N(C)C ZINC000090963235 563877167 /nfs/dbraw/zinc/87/71/67/563877167.db2.gz ZBSMHWSBTYWNHW-OLZOCXBDSA-N 1 0 304.384 4.443 50 0 DIAARO COc1ccccc1[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000091409604 563878638 /nfs/dbraw/zinc/87/86/38/563878638.db2.gz FKPZZEPKBAHBJM-AUSJPIAWSA-N 1 0 317.473 4.472 50 0 DIAARO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)[C@@]1(C)O ZINC000239433042 563880149 /nfs/dbraw/zinc/88/01/49/563880149.db2.gz XDCSRNLDRQBFAD-IBYUDDNZSA-N 1 0 309.453 4.438 50 0 DIAARO CC(C)[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000075568190 563884894 /nfs/dbraw/zinc/88/48/94/563884894.db2.gz JAVPQCZOXMYSHP-UZLBHIALSA-N 1 0 310.441 4.391 50 0 DIAARO CCC[NH+](CCC)C[C@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000055450207 563889304 /nfs/dbraw/zinc/88/93/04/563889304.db2.gz QTYAZRLLQFIOTL-ADKAHSJRSA-N 1 0 313.526 4.091 50 0 DIAARO C[NH+](C)CCSc1nc2ccccc2n1C1CCCCC1 ZINC000006568729 563890594 /nfs/dbraw/zinc/89/05/94/563890594.db2.gz INHOYBZSHOOEHP-UHFFFAOYSA-N 1 0 303.475 4.195 50 0 DIAARO Cc1ccccc1C[N@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036099826 563893624 /nfs/dbraw/zinc/89/36/24/563893624.db2.gz ONXAVRXIXIQVSP-NRFANRHFSA-N 1 0 311.469 4.057 50 0 DIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)(C)C)c1 ZINC000036100760 563893863 /nfs/dbraw/zinc/89/38/63/563893863.db2.gz QXNHFGRCHOXACB-LJQANCHMSA-N 1 0 321.505 4.019 50 0 DIAARO O=C(C[C@H]1CCC[C@@H](CC(=O)c2ccccc2)[NH2+]1)c1ccccc1 ZINC000002539690 563897936 /nfs/dbraw/zinc/89/79/36/563897936.db2.gz OMAMGHBETNHQJC-KDURUIRLSA-N 1 0 321.420 4.043 50 0 biogenic,in-vitro DIAARO Cc1ccccc1C(C)(C)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000170615429 563908500 /nfs/dbraw/zinc/90/85/00/563908500.db2.gz CTYPXLZCGKNLNF-UHFFFAOYSA-N 1 0 319.452 4.453 50 0 DIAARO O=C(Nc1ccc(F)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000013325218 563909618 /nfs/dbraw/zinc/90/96/18/563909618.db2.gz UFEBOLZJOBCSPF-UHFFFAOYSA-N 1 0 313.376 4.066 50 0 DIAARO Cc1nccn1Cc1cccc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000089735788 563911119 /nfs/dbraw/zinc/91/11/19/563911119.db2.gz YJPVRLDAPPWLSE-AWEZNQCLSA-N 1 0 311.454 4.152 50 0 DIAARO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000076020947 563911718 /nfs/dbraw/zinc/91/17/18/563911718.db2.gz LIRONJMOSQYXJR-JKSUJKDBSA-N 1 0 314.429 4.151 50 0 DIAARO CC[C@H]([NH2+]Cc1ccncc1)c1ccccc1Br ZINC000089947910 563912530 /nfs/dbraw/zinc/91/25/30/563912530.db2.gz AQOSKWJJEZWNHY-HNNXBMFYSA-N 1 0 305.219 4.085 50 0 DIAARO Clc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000252452927 563914877 /nfs/dbraw/zinc/91/48/77/563914877.db2.gz ORDWTQMJVXHERZ-KBPBESRZSA-N 1 0 321.848 4.219 50 0 DIAARO CCCCc1noc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)n1 ZINC000252516092 563916711 /nfs/dbraw/zinc/91/67/11/563916711.db2.gz QBDSAVMMAINTCS-CVEARBPZSA-N 1 0 313.445 4.099 50 0 DIAARO c1cc2c(s1)CC[N@@H+](CCc1ccncc1)[C@@H]2c1ccccc1 ZINC000015033311 563916969 /nfs/dbraw/zinc/91/69/69/563916969.db2.gz KSFFVFSOJVPNJC-HXUWFJFHSA-N 1 0 320.461 4.333 50 0 DIAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccncc2)cc1 ZINC000037523496 563918343 /nfs/dbraw/zinc/91/83/43/563918343.db2.gz AIDAVDQFJHZWIF-NRFANRHFSA-N 1 0 317.436 4.187 50 0 DIAARO C[NH+](C)Cc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000007736222 563918616 /nfs/dbraw/zinc/91/86/16/563918616.db2.gz HKVAWKYJFBGGDD-UHFFFAOYSA-N 1 0 322.374 4.057 50 0 DIAARO CCC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(F)cc2)N1O ZINC000033350672 563923826 /nfs/dbraw/zinc/92/38/26/563923826.db2.gz FOWMMINHKMCRPB-SFHVURJKSA-N 1 0 313.352 4.261 50 0 DIAARO C[C@H]([NH3+])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253498073 563926477 /nfs/dbraw/zinc/92/64/77/563926477.db2.gz FLEBIYNUTZNISZ-UWRZLRHJSA-N 1 0 317.517 4.274 50 0 DIAARO C[C@@H]1[C@H](c2ccc(F)cc2)[NH2+][C@H](c2ccc(F)cc2)C[C@]1(C)O ZINC000253500978 563926656 /nfs/dbraw/zinc/92/66/56/563926656.db2.gz DATTYGUWMMPCKZ-UCVSXLDNSA-N 1 0 317.379 4.128 50 0 DIAARO Clc1cnccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000079017613 563930192 /nfs/dbraw/zinc/93/01/92/563930192.db2.gz JLSPYYOEIZPSMZ-UHFFFAOYSA-N 1 0 315.848 4.333 50 0 DIAARO O=C(C[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1)Nc1ccccc1 ZINC000079103710 563930343 /nfs/dbraw/zinc/93/03/43/563930343.db2.gz VWFOIORFOGTVHU-WIYYLYMNSA-N 1 0 320.436 4.026 50 0 DIAARO c1ccc(N2CC[C@@H](CNc3ccc4ccccc4n3)C2)cc1 ZINC000095951794 563932190 /nfs/dbraw/zinc/93/21/90/563932190.db2.gz ABNFNNSWROMBOC-INIZCTEOSA-N 1 0 303.409 4.173 50 0 DIAARO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000095969297 563933550 /nfs/dbraw/zinc/93/35/50/563933550.db2.gz MAWCCNLOHOTERM-OAHLLOKOSA-N 1 0 301.434 4.022 50 0 DIAARO C[C@@H]1C[C@@H](Nc2cccc(CCC(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000095980645 563933939 /nfs/dbraw/zinc/93/39/39/563933939.db2.gz PIYIBLCEFXOEIF-IUODEOHRSA-N 1 0 312.379 4.219 50 0 DIAARO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000095982498 563933999 /nfs/dbraw/zinc/93/39/99/563933999.db2.gz QGDBJGYOYCBOIP-AWEZNQCLSA-N 1 0 309.369 4.055 50 0 DIAARO O=C1CCCC[C@@]1([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000096027264 563935068 /nfs/dbraw/zinc/93/50/68/563935068.db2.gz DIMCBBSBDXBNEX-OAQYLSRUSA-N 1 0 323.436 4.084 50 0 DIAARO C[NH+]1CCC(CCC(O)(c2ccccc2)c2ccccc2)CC1 ZINC000096028121 563935224 /nfs/dbraw/zinc/93/52/24/563935224.db2.gz VMVCTTFDKRFHIC-UHFFFAOYSA-N 1 0 309.453 4.045 50 0 DIAARO COc1cccc(OCCCCCC[NH2+]Cc2ccco2)c1 ZINC000003247075 563943165 /nfs/dbraw/zinc/94/31/65/563943165.db2.gz QRZFMHFIODRHQN-UHFFFAOYSA-N 1 0 303.402 4.017 50 0 DIAARO COCc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000066971258 563948259 /nfs/dbraw/zinc/94/82/59/563948259.db2.gz VDUYVVYNPGZDKC-UHFFFAOYSA-N 1 0 324.449 4.246 50 0 DIAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000008395761 563948373 /nfs/dbraw/zinc/94/83/73/563948373.db2.gz RWJKSPOQVDYNAA-GOSISDBHSA-N 1 0 322.452 4.154 50 0 DIAARO Cc1cc(Cl)cc2c(=O)c(C[NH+]3CCCCC3)c(C)[nH]c12 ZINC000008717232 563949911 /nfs/dbraw/zinc/94/99/11/563949911.db2.gz ZXUQHWNIZWKLHA-UHFFFAOYSA-N 1 0 304.821 4.197 50 0 DIAARO Cc1cc(Cl)cc2c(=O)c(C[N@H+]3CCC[C@H](C)C3)c(C)[nH]c12 ZINC000008717235 563950085 /nfs/dbraw/zinc/95/00/85/563950085.db2.gz LPQUMQQVSVZBHI-NSHDSACASA-N 1 0 318.848 4.443 50 0 DIAARO CCC[NH+](CCC)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717356 563950123 /nfs/dbraw/zinc/95/01/23/563950123.db2.gz MDMKIMOSPYHBMD-UHFFFAOYSA-N 1 0 300.446 4.488 50 0 DIAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000008717541 563950234 /nfs/dbraw/zinc/95/02/34/563950234.db2.gz XIRSHRHDGYANLR-LLVKDONJSA-N 1 0 304.821 4.134 50 0 DIAARO CCCCN1C(=O)c2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000009057172 563952036 /nfs/dbraw/zinc/95/20/36/563952036.db2.gz BZTJMQNXRYPGBG-ILRDRHFLSA-N 1 0 314.473 4.355 50 0 DIAARO c1csc(-c2cc(C[N@@H+]3CC[C@H](c4ccccc4)C3)no2)c1 ZINC000069894486 563955221 /nfs/dbraw/zinc/95/52/21/563955221.db2.gz ZGQJBZLKYBXQHA-HNNXBMFYSA-N 1 0 310.422 4.393 50 0 DIAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000007538625 568412436 /nfs/dbraw/zinc/41/24/36/568412436.db2.gz KAJDCKMYWRSOAI-UHFFFAOYSA-N 1 0 311.356 4.384 50 0 DIAARO C[N@H+](CC(=O)N(C1=CCCCC1)C1CC1)[C@@H]1CCc2ccccc21 ZINC000071794781 568419770 /nfs/dbraw/zinc/41/97/70/568419770.db2.gz MOBUFUJHUCTYCK-HXUWFJFHSA-N 1 0 324.468 4.055 50 0 DIAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(C)c1C ZINC000022022978 1036454146 /nfs/dbraw/zinc/45/41/46/1036454146.db2.gz HJLKLNUZFDYSGB-IBGZPJMESA-N 1 0 310.441 4.434 50 0 DIAARO CCn1c2ccccc2c2cc(C[N@H+](CC)CCN(C)C)ccc21 ZINC000022044978 1036475048 /nfs/dbraw/zinc/47/50/48/1036475048.db2.gz MIPIPSBVEAXVRV-UHFFFAOYSA-N 1 0 323.484 4.198 50 0 DIAARO CCC(=O)O[C@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@H+](C)[C@H]1C ZINC000252430748 1039742127 /nfs/dbraw/zinc/74/21/27/1039742127.db2.gz HXMYADUYVHAIOZ-RIFZZMRRSA-N 1 0 317.473 4.221 50 0 DIAARO CC[C@@H](C)[NH2+]CCCCOc1ccc(C)cc1Br ZINC000002822395 1040114259 /nfs/dbraw/zinc/11/42/59/1040114259.db2.gz RCYZEORMZUOXFW-CYBMUJFWSA-N 1 0 314.267 4.305 50 0 DIAARO Clc1ccc(SCCOCC[NH2+]Cc2ccccc2)cc1 ZINC000002823002 1040114667 /nfs/dbraw/zinc/11/46/67/1040114667.db2.gz JKDPSSLWHZTSIX-UHFFFAOYSA-N 1 0 321.873 4.239 50 0 DIAARO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc2c(c1)CCO2 ZINC000180972689 1041237128 /nfs/dbraw/zinc/23/71/28/1041237128.db2.gz KLWLOQOMKTVYRV-HNNXBMFYSA-N 1 0 323.436 4.404 50 0 DIAARO CCc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)o1 ZINC000162486468 1041704224 /nfs/dbraw/zinc/70/42/24/1041704224.db2.gz UNEJMBTWKPBBFX-HNNXBMFYSA-N 1 0 313.445 4.078 50 0 DIAARO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000108372911 1041914398 /nfs/dbraw/zinc/91/43/98/1041914398.db2.gz KDEZORRRYXAKHW-IJLUTSLNSA-N 1 0 317.351 4.192 50 0 DIAARO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(C(F)(F)F)nc1Cl ZINC000585118324 1042232618 /nfs/dbraw/zinc/23/26/18/1042232618.db2.gz KKMSTLVSZCSZFC-IUCAKERBSA-N 1 0 324.799 4.158 50 0 DIAARO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(C(F)(F)F)nc1Cl ZINC000585118323 1042232808 /nfs/dbraw/zinc/23/28/08/1042232808.db2.gz KKMSTLVSZCSZFC-DTWKUNHWSA-N 1 0 324.799 4.158 50 0 DIAARO c1ccc([C@@H](CC2CCC2)[NH2+][C@@H]2COCc3ncccc32)cc1 ZINC000888101082 1042266138 /nfs/dbraw/zinc/26/61/38/1042266138.db2.gz YQDUKRNXPURFRL-UYAOXDASSA-N 1 0 308.425 4.174 50 0 DIAARO C[C@@H]([NH2+]CC1=Cc2cc(Cl)ccc2OC1)c1cccc(O)c1 ZINC000105461319 1043048957 /nfs/dbraw/zinc/04/89/57/1043048957.db2.gz MQJSWHLVUFFLQH-GFCCVEGCSA-N 1 0 315.800 4.172 50 0 DIAARO C[C@@H]1C[N@@H+](CCCCOc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000013153557 1043802242 /nfs/dbraw/zinc/80/22/42/1043802242.db2.gz JPRKCHDIHWKMEU-CALCHBBNSA-N 1 0 313.441 4.108 50 0 DIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(C)c2C)cc1 ZINC000012872332 1044241184 /nfs/dbraw/zinc/24/11/84/1044241184.db2.gz TVPCKEHZFYZMPR-UHFFFAOYSA-N 1 0 324.468 4.075 50 0 DIAARO Cc1nc[nH]c1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2 ZINC000102736416 1044346904 /nfs/dbraw/zinc/34/69/04/1044346904.db2.gz VWRKDBYBYAUAEM-BJWYYQGGSA-N 1 0 313.420 4.076 50 0 DIAARO c1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)n[nH]1 ZINC000126744974 1044815133 /nfs/dbraw/zinc/81/51/33/1044815133.db2.gz HXLMLYKUOVLKPG-LEWJYISDSA-N 1 0 317.436 4.361 50 0 DIAARO CCC(CC)[NH2+][C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000158458298 1045023367 /nfs/dbraw/zinc/02/33/67/1045023367.db2.gz LDUMCGRZIDGNAV-NSHDSACASA-N 1 0 307.825 4.153 50 0 DIAARO Cc1ccccc1C[NH2+][C@@H](C)c1cnc(-c2ccncc2)nc1C ZINC000014970100 1045560992 /nfs/dbraw/zinc/56/09/92/1045560992.db2.gz JUPLYLLFDDXGFD-HNNXBMFYSA-N 1 0 318.424 4.006 50 0 DIAARO CCOc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)ccc1OC ZINC000016662725 1045570280 /nfs/dbraw/zinc/57/02/80/1045570280.db2.gz JCTVLHBCLHHSOQ-IRXDYDNUSA-N 1 0 303.446 4.249 50 0 DIAARO CCC[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000020865526 1045582246 /nfs/dbraw/zinc/58/22/46/1045582246.db2.gz YLZKLSKGAWXIKH-AWEZNQCLSA-N 1 0 303.837 4.320 50 0 DIAARO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(COC)cc2)s1 ZINC000093612446 1046634834 /nfs/dbraw/zinc/63/48/34/1046634834.db2.gz MGVSDJHXFDPWCC-CQSZACIVSA-N 1 0 318.486 4.353 50 0 DIAARO Cc1cnc(-c2cccnc2)n1[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000575549512 1050646816 /nfs/dbraw/zinc/64/68/16/1050646816.db2.gz MZQBLYBUAWJRLX-IBGZPJMESA-N 1 0 324.472 4.081 50 0 DIAARO Cc1cnc(-c2cccnc2)n1[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000575549513 1050647286 /nfs/dbraw/zinc/64/72/86/1050647286.db2.gz MZQBLYBUAWJRLX-LJQANCHMSA-N 1 0 324.472 4.081 50 0 DIAARO Fc1ccccc1CN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000043164407 1050817025 /nfs/dbraw/zinc/81/70/25/1050817025.db2.gz JDEJKPIDESTDOZ-UXHICEINSA-N 1 0 316.464 4.055 50 0 DIAARO Cc1cc2[nH]c(C[NH2+]C[C@@H]3COc4ccccc43)cc2c(C)c1 ZINC000952845903 1051120733 /nfs/dbraw/zinc/12/07/33/1051120733.db2.gz JFSOJDCRIYKUSE-OAHLLOKOSA-N 1 0 306.409 4.051 50 0 DIAARO CC[N@@H+](Cc1ccc(-c2cccnc2)cc1)C[C@@H]1CCCCO1 ZINC000952975223 1051122929 /nfs/dbraw/zinc/12/29/29/1051122929.db2.gz CQVYQBOROCCKLZ-FQEVSTJZSA-N 1 0 310.441 4.140 50 0 DIAARO C/C=C\c1ccc(OCCCC[NH2+]Cc2ccco2)c(OC)c1 ZINC000033575807 1052810949 /nfs/dbraw/zinc/81/09/49/1052810949.db2.gz NWVPNPNECCSPDP-CLTKARDFSA-N 1 0 315.413 4.270 50 0 DIAARO CC[N@H+](Cc1ccc2c[nH]nc2c1)[C@H](C)c1cccc(OC)c1 ZINC000179469958 1053013359 /nfs/dbraw/zinc/01/33/59/1053013359.db2.gz BBZKLZJKVXPACC-CQSZACIVSA-N 1 0 309.413 4.155 50 0 DIAARO Cc1c([C@H](C)[NH2+]CC2CC2)cnn1-c1cccc2ccccc21 ZINC000012058106 1056954605 /nfs/dbraw/zinc/95/46/05/1056954605.db2.gz WPFZBCGQLLRFSZ-AWEZNQCLSA-N 1 0 305.425 4.395 50 0 DIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)o1 ZINC000012076333 1056962252 /nfs/dbraw/zinc/96/22/52/1056962252.db2.gz OXLKEJBDQSLVKG-OAHLLOKOSA-N 1 0 317.816 4.336 50 0 DIAARO c1coc(C[N@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)c1 ZINC000012129763 1056978607 /nfs/dbraw/zinc/97/86/07/1056978607.db2.gz VPICOFPPACBFLP-FQEVSTJZSA-N 1 0 305.377 4.416 50 0 DIAARO Cc1cccc2cc(C[NH2+]C3CCCC3)c(N3CCCC3)nc12 ZINC000012218667 1056985146 /nfs/dbraw/zinc/98/51/46/1056985146.db2.gz OUCLXIXOEHHPCL-UHFFFAOYSA-N 1 0 309.457 4.176 50 0 DIAARO Cc1cc(NCC2(C)COC2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC001529152097 1058626441 /nfs/dbraw/zinc/62/64/41/1058626441.db2.gz OYADRYGOPQGSKK-UHFFFAOYSA-N 1 0 310.319 4.010 50 0 DIAARO COc1ccnc(C[N@@H+]2CCCC[C@H]2CCc2cccs2)c1 ZINC001529172003 1058628831 /nfs/dbraw/zinc/62/88/31/1058628831.db2.gz CHVCTPLRSKEEOM-INIZCTEOSA-N 1 0 316.470 4.139 50 0 DIAARO C[C@@H]([NH2+]C1CSCCSC1)c1ccccc1C(F)(F)F ZINC001506424606 1063511085 /nfs/dbraw/zinc/51/10/85/1063511085.db2.gz BBQSESATOBOADV-SNVBAGLBSA-N 1 0 321.433 4.205 50 0 DIAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000089948701 185270716 /nfs/dbraw/zinc/27/07/16/185270716.db2.gz YDUSXYLTWIEXSB-XPIZARPCSA-N 1 0 324.468 4.137 50 0 DIAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)c1cnccn1 ZINC000090114991 185283032 /nfs/dbraw/zinc/28/30/32/185283032.db2.gz GBUDDTNOMROPIY-ZILJWTLNSA-N 1 0 301.821 4.178 50 0 DIAARO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc2ccccc2o1 ZINC000090541947 185301932 /nfs/dbraw/zinc/30/19/32/185301932.db2.gz DSIBYAMNVHUIGR-DHSIGJKJSA-N 1 0 317.454 4.138 50 0 DIAARO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000090667859 185308868 /nfs/dbraw/zinc/30/88/68/185308868.db2.gz HTBRMQZBDPHVJK-LSDHHAIUSA-N 1 0 315.486 4.019 50 0 DIAARO COCCCC[N@H+](C)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000095398359 185353427 /nfs/dbraw/zinc/35/34/27/185353427.db2.gz VFNXKOUYOOJQRF-GOSISDBHSA-N 1 0 318.848 4.183 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)c1ccncc1 ZINC000095419210 185359712 /nfs/dbraw/zinc/35/97/12/185359712.db2.gz YOGYUVNSDATQLN-MNOVXSKESA-N 1 0 323.209 4.395 50 0 DIAARO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3cccnc3)o2)C1 ZINC000097002170 185396488 /nfs/dbraw/zinc/39/64/88/185396488.db2.gz ADFHLPFLLVWNQB-GDBMZVCRSA-N 1 0 302.443 4.105 50 0 DIAARO C[C@@H]([NH2+]Cc1ccnc2[nH]ccc21)c1cccc(C(F)(F)F)c1 ZINC000095462176 185370958 /nfs/dbraw/zinc/37/09/58/185370958.db2.gz JIMVJPQTKVRBHG-LLVKDONJSA-N 1 0 319.330 4.433 50 0 DIAARO Cc1cccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000097013480 185397123 /nfs/dbraw/zinc/39/71/23/185397123.db2.gz PEIPKNVWJJCLEY-IBGZPJMESA-N 1 0 305.425 4.219 50 0 DIAARO CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccncc1 ZINC000097017074 185397451 /nfs/dbraw/zinc/39/74/51/185397451.db2.gz FMCKBCIIHZGDEY-KXBFYZLASA-N 1 0 323.440 4.010 50 0 DIAARO CC(C)Cc1ncc(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)s1 ZINC000097020288 185398175 /nfs/dbraw/zinc/39/81/75/185398175.db2.gz VXBVVYIZJQXZAU-ACJLOTCBSA-N 1 0 300.471 4.365 50 0 DIAARO CC(C)Cc1ncc(C[NH2+][C@H]2c3ccccc3C[C@H]2C)s1 ZINC000097020284 185398236 /nfs/dbraw/zinc/39/82/36/185398236.db2.gz VXBVVYIZJQXZAU-FZKQIMNGSA-N 1 0 300.471 4.365 50 0 DIAARO Oc1ccc2cc(C[NH+]3CCC(c4ccncc4)CC3)ccc2c1 ZINC000097117611 185413223 /nfs/dbraw/zinc/41/32/23/185413223.db2.gz OLEPSUKYBOAOGI-UHFFFAOYSA-N 1 0 318.420 4.320 50 0 DIAARO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C1CCCCC1 ZINC000084023304 192396209 /nfs/dbraw/zinc/39/62/09/192396209.db2.gz LBHPIUQRADOYGT-UHFFFAOYSA-N 1 0 317.433 4.231 50 0 DIAARO C[N@H+](Cc1cc(-c2ccccn2)no1)[C@@H]1CCCc2ccccc21 ZINC000072143986 191051790 /nfs/dbraw/zinc/05/17/90/191051790.db2.gz LKDXRTJGTUQABC-HXUWFJFHSA-N 1 0 319.408 4.246 50 0 DIAARO CCN(CCC[N@H+](C)[C@H](C)c1ccccc1F)CC(F)(F)F ZINC000225579348 186279600 /nfs/dbraw/zinc/27/96/00/186279600.db2.gz SERQNEJBSJNFFL-CYBMUJFWSA-N 1 0 320.374 4.093 50 0 DIAARO O[C@H](C[NH2+]C1CCCCC1)Cn1c2ccccc2c2ccccc21 ZINC000000133758 180703899 /nfs/dbraw/zinc/70/38/99/180703899.db2.gz VKKYZYNAWYQWQN-QGZVFWFLSA-N 1 0 322.452 4.078 50 0 DIAARO CC[NH+](CC)CCCNC(=O)c1sc2ccccc2c1Cl ZINC000002053378 180908347 /nfs/dbraw/zinc/90/83/47/180908347.db2.gz LZYQTYPAVBAOKK-UHFFFAOYSA-N 1 0 324.877 4.016 50 0 DIAARO COCCC[NH2+]CCCCOc1ccccc1-c1ccccc1 ZINC000003000427 180975794 /nfs/dbraw/zinc/97/57/94/180975794.db2.gz SENPBBUJCAQOCZ-UHFFFAOYSA-N 1 0 313.441 4.139 50 0 DIAARO [NH2+]=C1c2ccccc2CN1c1ccc(OC(F)(F)C(F)F)cc1 ZINC000003194497 180990168 /nfs/dbraw/zinc/99/01/68/180990168.db2.gz KNEVIWFYNWTLPV-UHFFFAOYSA-N 1 0 324.277 4.269 50 0 DIAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccccc1Cl ZINC000003314815 181003396 /nfs/dbraw/zinc/00/33/96/181003396.db2.gz LYBRFQIGRHDLKW-AWEZNQCLSA-N 1 0 317.816 4.017 50 0 DIAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1 ZINC000003314846 181003655 /nfs/dbraw/zinc/00/36/55/181003655.db2.gz QGVPHWMENUKFSI-CQSZACIVSA-N 1 0 317.816 4.017 50 0 DIAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccccc1Cl ZINC000003314816 181003860 /nfs/dbraw/zinc/00/38/60/181003860.db2.gz LYBRFQIGRHDLKW-CQSZACIVSA-N 1 0 317.816 4.017 50 0 DIAARO Cc1ccc(NC(=O)[C@@H]([NH2+]C2CCCC2)c2ccccc2)cc1 ZINC000003338294 181008649 /nfs/dbraw/zinc/00/86/49/181008649.db2.gz QMDBIVYFVYHCQJ-IBGZPJMESA-N 1 0 308.425 4.207 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](C)C3)c2cc1C(C)C ZINC000003564914 181035018 /nfs/dbraw/zinc/03/50/18/181035018.db2.gz KTQGQNMNTFOSRE-AWEZNQCLSA-N 1 0 313.441 4.457 50 0 DIAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1cc2ccccc2o1 ZINC000003648554 181043629 /nfs/dbraw/zinc/04/36/29/181043629.db2.gz LSYYJHKULOPOHB-OAHLLOKOSA-N 1 0 323.392 4.110 50 0 DIAARO NC(=[NH2+])Sc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000003866091 181050930 /nfs/dbraw/zinc/05/09/30/181050930.db2.gz OVMNPHWMRCLPLS-UHFFFAOYSA-N 1 0 315.829 4.329 50 0 DIAARO [NH2+]=C(COc1ccc(Cl)c(Cl)c1)NCc1ccccc1 ZINC000004015687 181062636 /nfs/dbraw/zinc/06/26/36/181062636.db2.gz UXILYQMCFTYRED-UHFFFAOYSA-N 1 0 309.196 4.139 50 0 DIAARO [NH2+]=C(COc1cc(Cl)ccc1Cl)NC1CCCCC1 ZINC000004015684 181062790 /nfs/dbraw/zinc/06/27/90/181062790.db2.gz OBDMKUVTCOXOQP-UHFFFAOYSA-N 1 0 301.217 4.272 50 0 DIAARO Clc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000004089492 181072170 /nfs/dbraw/zinc/07/21/70/181072170.db2.gz KYFFSHZEIIHEHK-UHFFFAOYSA-N 1 0 300.833 4.190 50 0 DIAARO CCCCOc1ccc([C@](O)(CC)CC[NH+]2CCCCC2)cc1 ZINC000004313827 181096622 /nfs/dbraw/zinc/09/66/22/181096622.db2.gz BOLQMUHEHABJJD-FQEVSTJZSA-N 1 0 319.489 4.339 50 0 DIAARO CCCCOc1ccc([C@@](O)(CC)CC[NH+]2CCCCC2)cc1 ZINC000004313824 181096322 /nfs/dbraw/zinc/09/63/22/181096322.db2.gz BOLQMUHEHABJJD-HXUWFJFHSA-N 1 0 319.489 4.339 50 0 DIAARO CC[C@@H]1C[N@H+](C)CC[C@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000004535494 181120660 /nfs/dbraw/zinc/12/06/60/181120660.db2.gz OJLWUEFIEDXWFB-WIYYLYMNSA-N 1 0 323.436 4.101 50 0 DIAARO CC[NH+](CC)CCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000004541735 181121971 /nfs/dbraw/zinc/12/19/71/181121971.db2.gz KVFGFYCJHWRPGD-UHFFFAOYSA-N 1 0 320.440 4.051 50 0 DIAARO COc1cccc(-c2c[nH+]c(NCc3cccc(C)c3)n2C)c1 ZINC000004678423 181135193 /nfs/dbraw/zinc/13/51/93/181135193.db2.gz SADNQEJJMUPAGR-UHFFFAOYSA-N 1 0 307.397 4.016 50 0 DIAARO Clc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000004745504 181146941 /nfs/dbraw/zinc/14/69/41/181146941.db2.gz KJQAKQHALZAGLE-UHFFFAOYSA-N 1 0 306.881 4.180 50 0 DIAARO c1cc(OC2CCCCC2)cc2c3c4n(c12)CC[NH2+][C@H]4CCC3 ZINC000004794859 181152487 /nfs/dbraw/zinc/15/24/87/181152487.db2.gz UNOCVRGWLFGNQA-SFHVURJKSA-N 1 0 310.441 4.333 50 0 DIAARO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000004808161 181154810 /nfs/dbraw/zinc/15/48/10/181154810.db2.gz POQDXIFVWVZVML-UHFFFAOYSA-N 1 0 322.452 4.094 50 0 in-man DIAARO CC1(C)C[C@@H]([NH2+]CC[C@@H](c2ccco2)c2ccccc2)CCO1 ZINC000004834886 181159241 /nfs/dbraw/zinc/15/92/41/181159241.db2.gz MTBSKVFOKRVVFD-ZWKOTPCHSA-N 1 0 313.441 4.349 50 0 DIAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3cccnc3)ccc21 ZINC000004942788 181177089 /nfs/dbraw/zinc/17/70/89/181177089.db2.gz GAVUWQFIRGBDHN-UHFFFAOYSA-N 1 0 315.420 4.499 50 0 in-vitro DIAARO COc1ccc(Br)cc1C[N@H+](C)C1CCCCC1 ZINC000004988930 181185897 /nfs/dbraw/zinc/18/58/97/181185897.db2.gz PRDJBBJZMCGRSV-UHFFFAOYSA-N 1 0 312.251 4.222 50 0 DIAARO Cc1ccc(-c2ccc(SCC[NH+]3CCCCC3)nn2)cc1 ZINC000005410598 181239930 /nfs/dbraw/zinc/23/99/30/181239930.db2.gz SDZFHAWERFDQHO-UHFFFAOYSA-N 1 0 313.470 4.030 50 0 DIAARO OCCC[NH2+][C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000005517695 181252633 /nfs/dbraw/zinc/25/26/33/181252633.db2.gz TYLLJBDLSGZJAU-HNNXBMFYSA-N 1 0 319.857 4.060 50 0 DIAARO Cc1ccc(-c2cc(N3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000005683865 181272062 /nfs/dbraw/zinc/27/20/62/181272062.db2.gz PYMADAKTNCSSSJ-UHFFFAOYSA-N 1 0 304.393 4.047 50 0 DIAARO COC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)c1 ZINC000006043956 181307758 /nfs/dbraw/zinc/30/77/58/181307758.db2.gz XBGKHHHIGAEKCW-UHFFFAOYSA-N 1 0 322.364 4.082 50 0 biogenic DIAARO C[C@@H](C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000194525257 201244857 /nfs/dbraw/zinc/24/48/57/201244857.db2.gz GQRGWLSLRWXXHQ-ROUUACIJSA-N 1 0 323.484 4.000 50 0 DIAARO CC(C)[C@H](CC[NH2+]C1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000006670270 181368617 /nfs/dbraw/zinc/36/86/17/181368617.db2.gz VGJCPUJNUJHWDU-SFHVURJKSA-N 1 0 308.897 4.154 50 0 DIAARO Cc1cccc(CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000006726621 181377952 /nfs/dbraw/zinc/37/79/52/181377952.db2.gz QNQFVNVJTUTXMO-UHFFFAOYSA-N 1 0 322.452 4.162 50 0 DIAARO Cc1cc(C[NH+]2CCC(c3nccn3C(C)C)CC2)ccc1F ZINC000092021917 193143126 /nfs/dbraw/zinc/14/31/26/193143126.db2.gz JRPXOLGKFCNUIH-UHFFFAOYSA-N 1 0 315.436 4.291 50 0 DIAARO Cc1cccc2c(=O)c(C[N@H+](C)Cc3ccccc3)c(C)[nH]c12 ZINC000008714596 181576956 /nfs/dbraw/zinc/57/69/56/181576956.db2.gz VIZHTTLFWLNKDQ-UHFFFAOYSA-N 1 0 306.409 4.189 50 0 DIAARO Cc1c([C@H](C)[NH2+]CCc2ccccc2)cnn1-c1ccccc1 ZINC000015073786 181986222 /nfs/dbraw/zinc/98/62/22/181986222.db2.gz HTSQGGRJFWTMEA-INIZCTEOSA-N 1 0 305.425 4.074 50 0 DIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)cc1 ZINC000015837005 182020627 /nfs/dbraw/zinc/02/06/27/182020627.db2.gz VTAYMDICNRQOMS-GOSISDBHSA-N 1 0 303.352 4.311 50 0 DIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000015836788 182020749 /nfs/dbraw/zinc/02/07/49/182020749.db2.gz IWRDYCZIVDKBNX-IBGZPJMESA-N 1 0 309.409 4.119 50 0 DIAARO COc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 ZINC000015973860 182027144 /nfs/dbraw/zinc/02/71/44/182027144.db2.gz KCELIRRYXRQITP-UHFFFAOYSA-N 1 0 319.428 4.167 50 0 DIAARO CC[C@H](C)c1ccccc1OCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000016247672 182038368 /nfs/dbraw/zinc/03/83/68/182038368.db2.gz LIMGGLWMINDYAX-ULQDDVLXSA-N 1 0 305.462 4.078 50 0 DIAARO C[N@@H+](Cc1ccc2ccccc2c1)Cn1cnc2ccccc21 ZINC000018898098 182102688 /nfs/dbraw/zinc/10/26/88/182102688.db2.gz XGZZMOYKUCSOEL-UHFFFAOYSA-N 1 0 301.393 4.279 50 0 DIAARO Cc1c2cc(C)ccc2oc1C[N@@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000019143753 182106013 /nfs/dbraw/zinc/10/60/13/182106013.db2.gz HIKFSKHYDHCQNN-OAQYLSRUSA-N 1 0 321.420 4.143 50 0 DIAARO Cc1ccc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)s1 ZINC000019221739 182108175 /nfs/dbraw/zinc/10/81/75/182108175.db2.gz RVQPGZYZBOXTSA-ZDUSSCGKSA-N 1 0 324.453 4.068 50 0 DIAARO O[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000019691227 182137250 /nfs/dbraw/zinc/13/72/50/182137250.db2.gz CESGBQSBLXNVKX-OAQYLSRUSA-N 1 0 303.405 4.177 50 0 DIAARO COc1ccc(C[NH2+]CCc2ccccc2F)c2ccccc12 ZINC000019720447 182138648 /nfs/dbraw/zinc/13/86/48/182138648.db2.gz HKXPBUWZEBDUGQ-UHFFFAOYSA-N 1 0 309.384 4.320 50 0 DIAARO CCN(CC[NH+](CC)CC)Cc1ccc(Cl)cc1Cl ZINC000019633950 182134180 /nfs/dbraw/zinc/13/41/80/182134180.db2.gz YMKZZAQVBRUAJH-UHFFFAOYSA-N 1 0 303.277 4.157 50 0 DIAARO Clc1cccc(CN2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000019788270 182148322 /nfs/dbraw/zinc/14/83/22/182148322.db2.gz NBZGBIUSWCMCOA-UHFFFAOYSA-N 1 0 306.881 4.180 50 0 DIAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(-c2ccccc2)cc1 ZINC000019771286 182145608 /nfs/dbraw/zinc/14/56/08/182145608.db2.gz SQSJKDBFOPDVHW-UTKZUKDTSA-N 1 0 306.453 4.022 50 0 DIAARO CC[NH+](CC)c1ccc(NCCOc2ccc(OC)cc2)cc1 ZINC000019738573 182141331 /nfs/dbraw/zinc/14/13/31/182141331.db2.gz FADQZYOOQHKADR-UHFFFAOYSA-N 1 0 314.429 4.032 50 0 DIAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000019788353 182149412 /nfs/dbraw/zinc/14/94/12/182149412.db2.gz AORKJOSATZXBRX-NVXWUHKLSA-N 1 0 306.881 4.036 50 0 DIAARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(F)cc1F ZINC000019798223 182151045 /nfs/dbraw/zinc/15/10/45/182151045.db2.gz CBTGYUGBNVXZKQ-UHFFFAOYSA-N 1 0 300.352 4.087 50 0 DIAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000019831640 182155096 /nfs/dbraw/zinc/15/50/96/182155096.db2.gz NIRUOPOIPAZYMS-CRAIPNDOSA-N 1 0 306.881 4.036 50 0 DIAARO C[C@H]1CCC[C@H](N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)C1 ZINC000019831701 182155221 /nfs/dbraw/zinc/15/52/21/182155221.db2.gz IJNUPCMESUBVMN-UEPQMJSGSA-N 1 0 316.533 4.007 50 0 DIAARO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000019908984 182163592 /nfs/dbraw/zinc/16/35/92/182163592.db2.gz JUKAFDSJLWIQNQ-GFCCVEGCSA-N 1 0 320.230 4.309 50 0 DIAARO COc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)cc(OC)c1 ZINC000020016097 182178399 /nfs/dbraw/zinc/17/83/99/182178399.db2.gz GVWGXIVDLBXQII-GFCCVEGCSA-N 1 0 305.805 4.208 50 0 DIAARO CC(C)c1ccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020167076 182194169 /nfs/dbraw/zinc/19/41/69/182194169.db2.gz LGVLGDFURSCELP-IAGOWNOFSA-N 1 0 305.462 4.078 50 0 DIAARO C[C@H](C[NH+]1CCC(c2ccccc2)CC1)n1cnc2ccccc21 ZINC000020560608 182232163 /nfs/dbraw/zinc/23/21/63/182232163.db2.gz ADTMMJMRIAFLAX-QGZVFWFLSA-N 1 0 319.452 4.477 50 0 DIAARO C[C@@H](C[NH+]1CCC(c2ccccc2)CC1)n1cnc2ccccc21 ZINC000020560605 182232662 /nfs/dbraw/zinc/23/26/62/182232662.db2.gz ADTMMJMRIAFLAX-KRWDZBQOSA-N 1 0 319.452 4.477 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)cc1)[NH2+]CC2 ZINC000020506958 182226088 /nfs/dbraw/zinc/22/60/88/182226088.db2.gz KWPVIMZLABIUNQ-HXUWFJFHSA-N 1 0 311.425 4.028 50 0 DIAARO C[C@](O)(c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868828 182250893 /nfs/dbraw/zinc/25/08/93/182250893.db2.gz PZNFAGWWJOUVAD-SFTDATJTSA-N 1 0 309.453 4.164 50 0 DIAARO CCCCOc1ccc(C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000021635881 182281537 /nfs/dbraw/zinc/28/15/37/182281537.db2.gz SUCHONJJTKJJMT-UHFFFAOYSA-N 1 0 321.424 4.099 50 0 DIAARO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000021720362 182286702 /nfs/dbraw/zinc/28/67/02/182286702.db2.gz WWRMZVIGYPMTMM-SFHVURJKSA-N 1 0 314.429 4.416 50 0 DIAARO CC[NH+](CC)CCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000022107518 182309427 /nfs/dbraw/zinc/30/94/27/182309427.db2.gz HTCYGHYLNCAKSS-UHFFFAOYSA-N 1 0 324.827 4.171 50 0 DIAARO c1cc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)n[nH]1 ZINC000039445898 183017996 /nfs/dbraw/zinc/01/79/96/183017996.db2.gz VPGAYMLCRSKRDS-FQEVSTJZSA-N 1 0 317.436 4.456 50 0 DIAARO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000040155736 183040723 /nfs/dbraw/zinc/04/07/23/183040723.db2.gz CDWKJPACYVRXMX-SUMDDJOVSA-N 1 0 316.489 4.058 50 0 DIAARO C[C@H]1C[C@H](C)C[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000041362963 183186924 /nfs/dbraw/zinc/18/69/24/183186924.db2.gz ILCGTASCJZFVMQ-STQMWFEESA-N 1 0 304.821 4.473 50 0 DIAARO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(Br)cc1 ZINC000042209367 183242294 /nfs/dbraw/zinc/24/22/94/183242294.db2.gz KFTLUFXUKQBZQD-LLVKDONJSA-N 1 0 306.203 4.006 50 0 DIAARO CC(C)(C)n1cc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cn1 ZINC000042929836 183319193 /nfs/dbraw/zinc/31/91/93/183319193.db2.gz OBEIHGBJTAZTSK-OAHLLOKOSA-N 1 0 319.449 4.104 50 0 DIAARO CC(C)c1ccc([C@H](C)[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000042933621 183319680 /nfs/dbraw/zinc/31/96/80/183319680.db2.gz QOQPRSVZNPMOGQ-HNNXBMFYSA-N 1 0 320.440 4.446 50 0 DIAARO c1ccc(COc2ccc(OCC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000042773028 183306939 /nfs/dbraw/zinc/30/69/39/183306939.db2.gz DGRXHNGMKCDUML-KRWDZBQOSA-N 1 0 311.425 4.034 50 0 DIAARO CC[C@@H](C)c1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000042774574 183307966 /nfs/dbraw/zinc/30/79/66/183307966.db2.gz VFUUYAZUGFXLBK-LLVKDONJSA-N 1 0 312.251 4.093 50 0 DIAARO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1Cl ZINC000106074771 194183984 /nfs/dbraw/zinc/18/39/84/194183984.db2.gz OZDUOFPLUCZIBS-QZTJIDSGSA-N 1 0 301.817 4.211 50 0 DIAARO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000106551676 194229323 /nfs/dbraw/zinc/22/93/23/194229323.db2.gz FSIXEABZFZUHLX-BZUAXINKSA-N 1 0 310.441 4.145 50 0 DIAARO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000057645294 184043456 /nfs/dbraw/zinc/04/34/56/184043456.db2.gz FXMPMMFDAIYPRX-AWEZNQCLSA-N 1 0 309.438 4.053 50 0 DIAARO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1 ZINC000058131396 184079034 /nfs/dbraw/zinc/07/90/34/184079034.db2.gz FHIHRBGMROQCIZ-CVEARBPZSA-N 1 0 310.441 4.317 50 0 DIAARO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)C1 ZINC000060548091 184151998 /nfs/dbraw/zinc/15/19/98/184151998.db2.gz HXDXSJLQUOXYKA-IAGOWNOFSA-N 1 0 312.457 4.213 50 0 DIAARO COc1ccc2ccccc2c1CC[NH2+][C@H](C)CC(F)(F)F ZINC000065417710 184341531 /nfs/dbraw/zinc/34/15/31/184341531.db2.gz BUVNJYGLCJHOEQ-GFCCVEGCSA-N 1 0 311.347 4.321 50 0 DIAARO CC(C)[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C1CCCC1 ZINC000065475411 184352090 /nfs/dbraw/zinc/35/20/90/184352090.db2.gz KMEZCLJSZQIBKL-AWEZNQCLSA-N 1 0 322.880 4.170 50 0 DIAARO O=C(C=C1CCCCC1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000065877282 184381781 /nfs/dbraw/zinc/38/17/81/184381781.db2.gz RYENUOAXAMSYEK-UHFFFAOYSA-N 1 0 312.457 4.154 50 0 DIAARO COc1ccc(C[NH2+]C2C[C@@H](C(C)C)O[C@H](C(C)C)C2)cc1 ZINC000524734241 257213089 /nfs/dbraw/zinc/21/30/89/257213089.db2.gz MGRPDMITEUROCW-OALUTQOASA-N 1 0 305.462 4.013 50 0 DIAARO Cc1nc2c(C)cc(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)cn2n1 ZINC000426690726 257244343 /nfs/dbraw/zinc/24/43/43/257244343.db2.gz RQZKVHYUZKJZOP-OAHLLOKOSA-N 1 0 320.440 4.170 50 0 DIAARO CCn1nccc1-c1ccc(C[N@@H+]2CCC[C@H]2C)c(Cl)c1 ZINC000426510099 257248403 /nfs/dbraw/zinc/24/84/03/257248403.db2.gz KPMJKIBFIJCZEU-CYBMUJFWSA-N 1 0 303.837 4.208 50 0 DIAARO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc2c(c1)CCCC2 ZINC000071922668 184906972 /nfs/dbraw/zinc/90/69/72/184906972.db2.gz PESMVQFOUXTIGP-HNNXBMFYSA-N 1 0 311.473 4.368 50 0 DIAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000004981140 533412330 /nfs/dbraw/zinc/41/23/30/533412330.db2.gz IEZTZGKZWOBAKW-BMRADRMJSA-N 1 0 310.416 4.051 50 0 DIAARO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000006409010 336382486 /nfs/dbraw/zinc/38/24/86/336382486.db2.gz PLDURCBEFFSVNI-AWEZNQCLSA-N 1 0 303.833 4.112 50 0 DIAARO COC(=O)c1cccc(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000000122846 563220503 /nfs/dbraw/zinc/22/05/03/563220503.db2.gz RSDGMKNPGATVBI-UHFFFAOYSA-N 1 0 318.376 4.254 50 0 DIAARO C[C@@H](c1ccccc1[C@](O)(c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000000132442 563221769 /nfs/dbraw/zinc/22/17/69/563221769.db2.gz ZRPJPFSQGQDKDU-SUMWQHHRSA-N 1 0 323.358 4.107 50 0 DIAARO CSc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000207666 563230398 /nfs/dbraw/zinc/23/03/98/563230398.db2.gz FGOJRDLAYKJAMQ-UHFFFAOYSA-N 1 0 318.530 4.249 50 0 DIAARO CC[n+]1c(/C=C/N(C(C)=O)c2ccccc2)sc2ccccc21 ZINC000000352713 563243711 /nfs/dbraw/zinc/24/37/11/563243711.db2.gz BGIJLSGWNSIFDW-UHFFFAOYSA-N 1 0 323.441 4.233 50 0 DIAARO Cc1ccc(-c2cn3c([n+]2-c2ccccc2)SCCC3)cc1 ZINC000000392224 563250003 /nfs/dbraw/zinc/25/00/03/563250003.db2.gz JXYCTYXVTDDSAN-UHFFFAOYSA-N 1 0 307.442 4.236 50 0 DIAARO C[n+]1ccn2c3ccc(C4CCCCC4)cc3c3c2c1CCC3 ZINC000000978413 563273542 /nfs/dbraw/zinc/27/35/42/563273542.db2.gz QQSYMWNHDZOJQD-UHFFFAOYSA-N 1 0 305.445 4.453 50 0 DIAARO CC[NH+](CC)CCn1c2ccc(F)cc2c2nc(C)sc21 ZINC000002355038 563302869 /nfs/dbraw/zinc/30/28/69/563302869.db2.gz HSOCMRKVIQYYKC-UHFFFAOYSA-N 1 0 305.422 4.040 50 0 DIAARO CSc1ccc(C(=O)c2ccccc2C[NH+]2CCCC2)cc1 ZINC000002515555 563306012 /nfs/dbraw/zinc/30/60/12/563306012.db2.gz XPEXZLPKQQOONB-UHFFFAOYSA-N 1 0 311.450 4.235 50 0 DIAARO CC[C@H](C)[NH2+]CCOc1c(Cl)cc(C)cc1Br ZINC000002823191 563314189 /nfs/dbraw/zinc/31/41/89/563314189.db2.gz ASTKMBRWBNIVFC-JTQLQIEISA-N 1 0 320.658 4.178 50 0 DIAARO c1ccc(COc2ccc(OCC[NH2+]C3CCCC3)cc2)cc1 ZINC000002845384 563314830 /nfs/dbraw/zinc/31/48/30/563314830.db2.gz VJYKUDQGLOJLQC-UHFFFAOYSA-N 1 0 311.425 4.177 50 0 DIAARO COCCC[NH2+]CCCCOc1c(C)cccc1C(C)(C)C ZINC000003003672 563320350 /nfs/dbraw/zinc/32/03/50/563320350.db2.gz HYCVFLANABRTDT-UHFFFAOYSA-N 1 0 307.478 4.078 50 0 DIAARO CCCC[NH2+]CCOCCOc1ccc(C(C)(C)C)cc1C ZINC000003000366 563320457 /nfs/dbraw/zinc/32/04/57/563320457.db2.gz FOXDXIYUDRXPIX-UHFFFAOYSA-N 1 0 307.478 4.078 50 0 DIAARO CC(C)(C)[NH2+]CCOCCOc1ccccc1-c1ccccc1 ZINC000003000999 563320488 /nfs/dbraw/zinc/32/04/88/563320488.db2.gz INVREHUUDVSVED-UHFFFAOYSA-N 1 0 313.441 4.137 50 0 DIAARO CCCC[NH2+]CCOc1c(Cl)cc(C)cc1Br ZINC000003001762 563320556 /nfs/dbraw/zinc/32/05/56/563320556.db2.gz KBKGGNDBWVDUPD-UHFFFAOYSA-N 1 0 320.658 4.179 50 0 DIAARO CC[C@H](C)c1ccccc1OCCOCC[NH+]1CCC(C)CC1 ZINC000003003361 563320633 /nfs/dbraw/zinc/32/06/33/563320633.db2.gz YGNWDCHVMDFMMK-SFHVURJKSA-N 1 0 319.489 4.327 50 0 DIAARO CC(C)=CCC[C@@H](C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000004981100 563328335 /nfs/dbraw/zinc/32/83/35/563328335.db2.gz QDQLEXKTZREFBL-QGZVFWFLSA-N 1 0 304.453 4.330 50 0 DIAARO CC(C)=CC[NH+]1CCC(Nc2ccc(Br)cc2)CC1 ZINC000007023442 563336039 /nfs/dbraw/zinc/33/60/39/563336039.db2.gz NIPWGWYKIWZNKT-UHFFFAOYSA-N 1 0 323.278 4.292 50 0 DIAARO Cc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010326088 563355768 /nfs/dbraw/zinc/35/57/68/563355768.db2.gz JGYYHIDQWALIHE-UHFFFAOYSA-N 1 0 308.425 4.152 50 0 DIAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000010334663 563356354 /nfs/dbraw/zinc/35/63/54/563356354.db2.gz SEKABFTVKLWQJL-QGZVFWFLSA-N 1 0 322.452 4.164 50 0 DIAARO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010359274 563356987 /nfs/dbraw/zinc/35/69/87/563356987.db2.gz MDAUCHFNEOFCGV-UHFFFAOYSA-N 1 0 308.425 4.233 50 0 DIAARO OC[C@@]1(Cc2ccccc2F)CCC[N@H+](CC2CCCCC2)C1 ZINC000011812944 563358768 /nfs/dbraw/zinc/35/87/68/563358768.db2.gz VWWQAARRMRUNRZ-HXUWFJFHSA-N 1 0 319.464 4.023 50 0 DIAARO CC[C@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012241536 563365688 /nfs/dbraw/zinc/36/56/88/563365688.db2.gz VPXALHNJSVVHHG-GOEBONIOSA-N 1 0 315.436 4.441 50 0 DIAARO CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012373358 563367122 /nfs/dbraw/zinc/36/71/22/563367122.db2.gz NYQJCKNMOVSPQY-CQSZACIVSA-N 1 0 305.809 4.155 50 0 DIAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000012385478 563368552 /nfs/dbraw/zinc/36/85/52/563368552.db2.gz LKMWOMUMLMDAFQ-KRWDZBQOSA-N 1 0 320.521 4.140 50 0 DIAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3ccsc3)C2)cc1F ZINC000012469459 563369867 /nfs/dbraw/zinc/36/98/67/563369867.db2.gz MLPSPYWTNYSGSS-AWEZNQCLSA-N 1 0 308.397 4.103 50 0 DIAARO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012495255 563370969 /nfs/dbraw/zinc/37/09/69/563370969.db2.gz RYAUSSKQMZRMAI-YESZJQIVSA-N 1 0 303.490 4.272 50 0 endogenous,in-man DIAARO OCC1(Cc2ccccc2)CC[NH+](C2CCCCCCC2)CC1 ZINC000012572966 563371563 /nfs/dbraw/zinc/37/15/63/563371563.db2.gz XXZJSZXWNRHYEU-UHFFFAOYSA-N 1 0 315.501 4.417 50 0 DIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000012707966 563372335 /nfs/dbraw/zinc/37/23/35/563372335.db2.gz LEAPPSAWKDFVQW-ZDUSSCGKSA-N 1 0 311.347 4.153 50 0 DIAARO C[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)C1CCCCC1 ZINC000012748040 563373409 /nfs/dbraw/zinc/37/34/09/563373409.db2.gz XQDJJXHKFBYSTM-UHFFFAOYSA-N 1 0 305.809 4.155 50 0 DIAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(C)O ZINC000013633548 563384255 /nfs/dbraw/zinc/38/42/55/563384255.db2.gz LDCYUQWOTSEZCL-MXEMCNAFSA-N 1 0 309.453 4.486 50 0 DIAARO CC(C)[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000032777886 563391529 /nfs/dbraw/zinc/39/15/29/563391529.db2.gz KHEFEYGZOZZCEB-UHFFFAOYSA-N 1 0 308.425 4.165 50 0 DIAARO Cc1ccccc1OCCN(C)Cc1coc(-c2ccccc2)n1 ZINC000032806029 563395468 /nfs/dbraw/zinc/39/54/68/563395468.db2.gz XLPVGFWKCXKSOG-UHFFFAOYSA-N 1 0 322.408 4.161 50 0 DIAARO Clc1ccc(OC2CC[NH2+]CC2)c(Cc2ccccc2)c1 ZINC000014631978 563402203 /nfs/dbraw/zinc/40/22/03/563402203.db2.gz KVCLQMPLEODAGN-UHFFFAOYSA-N 1 0 301.817 4.062 50 0 DIAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccc2c1 ZINC000014951411 563404306 /nfs/dbraw/zinc/40/43/06/563404306.db2.gz UFYOJSIAULQKBF-GOSISDBHSA-N 1 0 323.436 4.296 50 0 DIAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000015064665 563406325 /nfs/dbraw/zinc/40/63/25/563406325.db2.gz JFUFQQLHWQVMNQ-KRWDZBQOSA-N 1 0 313.828 4.435 50 0 DIAARO COc1ccc([C@@H]2CCC[N@@H+]2CCc2ccc3c(c2)CCO3)cc1 ZINC000441197325 563412071 /nfs/dbraw/zinc/41/20/71/563412071.db2.gz MLUNNIRDKIBTFI-FQEVSTJZSA-N 1 0 323.436 4.010 50 0 DIAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)C1 ZINC000032931179 563414351 /nfs/dbraw/zinc/41/43/51/563414351.db2.gz HXDXSJLQUOXYKA-IRXDYDNUSA-N 1 0 312.457 4.213 50 0 DIAARO COc1cccc(CN(C)c2cc(C)[nH+]c3ccccc32)c1OC ZINC000026135536 563425310 /nfs/dbraw/zinc/42/53/10/563425310.db2.gz MQVQEYIIILSPCZ-UHFFFAOYSA-N 1 0 322.408 4.197 50 0 DIAARO c1csc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027223080 563427301 /nfs/dbraw/zinc/42/73/01/563427301.db2.gz LWDOGHGAUDNPDV-SFHVURJKSA-N 1 0 323.465 4.160 50 0 DIAARO CC(C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027663727 563429520 /nfs/dbraw/zinc/42/95/20/563429520.db2.gz RUPNZVDVXHRWBS-KRWDZBQOSA-N 1 0 322.880 4.029 50 0 DIAARO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c(C)c1 ZINC000029483188 563434493 /nfs/dbraw/zinc/43/44/93/563434493.db2.gz BKJFUXACLXWWMG-LJQANCHMSA-N 1 0 322.452 4.170 50 0 DIAARO COc1cc(C)c(C[NH2+][C@@H](C)CCCC(C)(C)O)c(C)c1C ZINC000032590509 563442495 /nfs/dbraw/zinc/44/24/95/563442495.db2.gz JNBVYURZVHOQNJ-AWEZNQCLSA-N 1 0 307.478 4.040 50 0 DIAARO c1cc2n(c1)-c1sc3c(c1C[NH2+][C@H]2c1ccccc1)CCC3 ZINC000032919307 563443966 /nfs/dbraw/zinc/44/39/66/563443966.db2.gz MSYVDIVUDJELJJ-SFHVURJKSA-N 1 0 306.434 4.220 50 0 DIAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000033087101 563444392 /nfs/dbraw/zinc/44/43/92/563444392.db2.gz KZGCNJNHFOQXBK-SFHVURJKSA-N 1 0 317.864 4.499 50 0 DIAARO Cc1ccccc1NC(=O)C[C@H]1c2ccccc2CC(C)(C)[N@@H+]1C ZINC000000343575 563447658 /nfs/dbraw/zinc/44/76/58/563447658.db2.gz UKYROQSLELFTPS-IBGZPJMESA-N 1 0 322.452 4.331 50 0 biogenic DIAARO C[NH2+]Cc1ccccc1Oc1ccc(Br)cc1F ZINC000034664899 563451098 /nfs/dbraw/zinc/45/10/98/563451098.db2.gz SHYSQKPFKACIGB-UHFFFAOYSA-N 1 0 310.166 4.100 50 0 DIAARO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000035462927 563452547 /nfs/dbraw/zinc/45/25/47/563452547.db2.gz UZFSWTZILMXUJB-AWEZNQCLSA-N 1 0 310.622 4.411 50 0 DIAARO COCCC[NH2+]CC[C@]1(CCC(C)C)CCO[C@H](C(C)C)C1 ZINC000013655139 563468399 /nfs/dbraw/zinc/46/83/99/563468399.db2.gz BUASARGVQPMCPF-RBUKOAKNSA-N 1 0 313.526 4.260 50 0 DIAARO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000052537268 563469257 /nfs/dbraw/zinc/46/92/57/563469257.db2.gz LBBWWBVVWSGTKL-OAQYLSRUSA-N 1 0 308.469 4.029 50 0 DIAARO C[C@@H]1CCCC[N@@H+]1CC(=O)n1c2ccccc2c2ccccc21 ZINC000054097362 563470352 /nfs/dbraw/zinc/47/03/52/563470352.db2.gz LWLHEWKCUGKMBK-OAHLLOKOSA-N 1 0 306.409 4.309 50 0 DIAARO CC[C@@H](CO)[N@H+](C/C(C)=C/c1ccco1)Cc1ccsc1 ZINC000055270250 563473408 /nfs/dbraw/zinc/47/34/08/563473408.db2.gz BDPUIRRMUBEFDD-IDJPSDCMSA-N 1 0 305.443 4.018 50 0 DIAARO Fc1ccccc1N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000055543757 563476182 /nfs/dbraw/zinc/47/61/82/563476182.db2.gz YIJIQYQOJRACRV-UHFFFAOYSA-N 1 0 320.411 4.301 50 0 DIAARO COc1ccc(Oc2nccc3occc32)cc1C[NH+]1CCCC1 ZINC000067947965 563494010 /nfs/dbraw/zinc/49/40/10/563494010.db2.gz CLBYLIQAPUEVGO-UHFFFAOYSA-N 1 0 324.380 4.225 50 0 DIAARO CCc1nc2cc(CCC(=O)Nc3ccc(CC)cc3)ccc2[nH]1 ZINC000033169581 563499471 /nfs/dbraw/zinc/49/94/71/563499471.db2.gz NQEHPSLPIISRPN-UHFFFAOYSA-N 1 0 321.424 4.259 50 0 DIAARO CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000097159302 563507320 /nfs/dbraw/zinc/50/73/20/563507320.db2.gz GNDJXACZESXLSU-AWEZNQCLSA-N 1 0 301.459 4.034 50 0 DIAARO Fc1cccc(COc2ccc(C[NH2+]Cc3ccccn3)cc2)c1 ZINC000078227865 563512560 /nfs/dbraw/zinc/51/25/60/563512560.db2.gz CAFGLKSYTAFFTH-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287745 563518702 /nfs/dbraw/zinc/51/87/02/563518702.db2.gz OZUFEPICEVXWQB-LJQANCHMSA-N 1 0 323.436 4.493 50 0 DIAARO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 ZINC000072670454 563526125 /nfs/dbraw/zinc/52/61/25/563526125.db2.gz HJQCMCQQKRNPOI-AWEZNQCLSA-N 1 0 311.816 4.377 50 0 DIAARO C[C@@](N)(c1ccc(Cl)cc1)[C@@](C)([NH3+])c1ccc(Cl)cc1 ZINC000095937413 563531603 /nfs/dbraw/zinc/53/16/03/563531603.db2.gz LWRJAHOWKXOLSQ-IYBDPMFKSA-N 1 0 309.240 4.041 50 0 DIAARO COc1ccc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)cc1CO ZINC000096136553 563534168 /nfs/dbraw/zinc/53/41/68/563534168.db2.gz BLTYHOAJOYKDEK-HNNXBMFYSA-N 1 0 311.425 4.011 50 0 DIAARO Cc1cnc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)nc1N(C)C ZINC000097272474 563538584 /nfs/dbraw/zinc/53/85/84/563538584.db2.gz RNSXERSKQJHDGR-MRXNPFEDSA-N 1 0 324.472 4.065 50 0 DIAARO Cc1ccc([C@H](C)CC[NH+]2CCC(c3ncncc3C)CC2)o1 ZINC000097632151 563541340 /nfs/dbraw/zinc/54/13/40/563541340.db2.gz MADSGMHXBMSFJI-CQSZACIVSA-N 1 0 313.445 4.060 50 0 DIAARO CC[NH+](CC)Cc1ccccc1NCc1ncc(C(C)C)o1 ZINC000072312460 563566187 /nfs/dbraw/zinc/56/61/87/563566187.db2.gz VMTIGBZAOQMQFV-UHFFFAOYSA-N 1 0 301.434 4.252 50 0 DIAARO CC(C)CCOc1ccc(C(=O)CC[NH+]2CCCCC2)cc1 ZINC000000340683 563589355 /nfs/dbraw/zinc/58/93/55/563589355.db2.gz QXCGBYNEYRXFEK-UHFFFAOYSA-N 1 0 303.446 4.170 50 0 DIAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccccc2)cc1C ZINC000011819054 563599536 /nfs/dbraw/zinc/59/95/36/563599536.db2.gz QCRUNEUWBSLBJK-UHFFFAOYSA-N 1 0 305.425 4.326 50 0 DIAARO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1ccn(Cc2ccccc2)c1 ZINC000125061817 563601427 /nfs/dbraw/zinc/60/14/27/563601427.db2.gz CUCLUXUIVSVJSI-FQEVSTJZSA-N 1 0 318.420 4.019 50 0 DIAARO COc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)c(OC)c1 ZINC000000429778 563613368 /nfs/dbraw/zinc/61/33/68/563613368.db2.gz PBFQBTABIKSPJC-UHFFFAOYSA-N 1 0 320.392 4.484 50 0 DIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(F)c1 ZINC000000527923 563630373 /nfs/dbraw/zinc/63/03/73/563630373.db2.gz UKZNOKMUDKXCKW-UHFFFAOYSA-N 1 0 312.388 4.064 50 0 DIAARO COc1ccc2cc(C[NH+]3C[C@H](C)C[C@@H](C)C3)c(Cl)nc2c1 ZINC000013018509 563654978 /nfs/dbraw/zinc/65/49/78/563654978.db2.gz VYRKDMBDQWARKI-CHWSQXEVSA-N 1 0 318.848 4.375 50 0 DIAARO CC(C)C[C@@H](C)[NH+]1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000048229021 563694331 /nfs/dbraw/zinc/69/43/31/563694331.db2.gz NEEBMHPHSICISK-MRXNPFEDSA-N 1 0 318.509 4.397 50 0 DIAARO CCCCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000048342289 563697055 /nfs/dbraw/zinc/69/70/55/563697055.db2.gz SVYYTXWWZQOMNC-QGZVFWFLSA-N 1 0 316.489 4.115 50 0 DIAARO c1cc2cccc(CN3CCC[N@@H+](C4CCCCC4)CC3)c2[nH]1 ZINC000215166669 563704170 /nfs/dbraw/zinc/70/41/70/563704170.db2.gz NJUUFNUHACGHNX-UHFFFAOYSA-N 1 0 311.473 4.008 50 0 DIAARO COc1ccc(C[NH2+]CCc2ccc(F)cc2)c2ccccc12 ZINC000002729632 563705795 /nfs/dbraw/zinc/70/57/95/563705795.db2.gz FVSNOICVVNOIBD-UHFFFAOYSA-N 1 0 309.384 4.320 50 0 DIAARO Cc1c[nH]nc1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000215557746 563706110 /nfs/dbraw/zinc/70/61/10/563706110.db2.gz RXAWKWDKZBAQEM-UHFFFAOYSA-N 1 0 323.362 4.117 50 0 DIAARO COC[C@H]1CC[N@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215718267 563706993 /nfs/dbraw/zinc/70/69/93/563706993.db2.gz ANLCJPOJMVFFCF-HNNXBMFYSA-N 1 0 317.454 4.208 50 0 DIAARO C[C@]1(O)CCC[N@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000216452278 563709575 /nfs/dbraw/zinc/70/95/75/563709575.db2.gz HLDHIEWVPFJNON-NRFANRHFSA-N 1 0 309.453 4.055 50 0 DIAARO Clc1ccc([C@@H](OC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000038881033 563742771 /nfs/dbraw/zinc/74/27/71/563742771.db2.gz WIKOEABUWYGKIW-SFHVURJKSA-N 1 0 301.817 4.198 50 0 DIAARO CC(C)[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccs1 ZINC000225544208 563758531 /nfs/dbraw/zinc/75/85/31/563758531.db2.gz OJRRCCNKUOKZGI-KRWDZBQOSA-N 1 0 303.427 4.006 50 0 DIAARO CC(C)[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccs1 ZINC000225544236 563758879 /nfs/dbraw/zinc/75/88/79/563758879.db2.gz OJRRCCNKUOKZGI-QGZVFWFLSA-N 1 0 303.427 4.006 50 0 DIAARO CC(C)(C)SCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000225785676 563763621 /nfs/dbraw/zinc/76/36/21/563763621.db2.gz HFURRXUZBPWUKJ-CQSZACIVSA-N 1 0 307.459 4.084 50 0 DIAARO C[C@@H]1[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)[C@@H](C)C1(C)O ZINC000013424376 563769091 /nfs/dbraw/zinc/76/90/91/563769091.db2.gz XDCSRNLDRQBFAD-XNFNUYLZSA-N 1 0 309.453 4.438 50 0 DIAARO CCCCn1c[n+](COCCCc2ccccc2)c2ccccc21 ZINC000230519958 563773228 /nfs/dbraw/zinc/77/32/28/563773228.db2.gz XZYHIEXMDDRDLH-UHFFFAOYSA-N 1 0 323.460 4.336 50 0 DIAARO CCc1cc(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)on1 ZINC000242178859 563778224 /nfs/dbraw/zinc/77/82/24/563778224.db2.gz XBMNZHBUKZOYRA-YLJYHZDGSA-N 1 0 312.457 4.171 50 0 DIAARO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1cc(-c3cccnc3)no1)C2 ZINC000244594194 563779320 /nfs/dbraw/zinc/77/93/20/563779320.db2.gz DHZGUAKGCGRICQ-DNVCBOLYSA-N 1 0 311.429 4.137 50 0 DIAARO CCCC[C@@H](c1cccnc1)N(C)Cc1cncn1C(C)C ZINC000244884319 563779969 /nfs/dbraw/zinc/77/99/69/563779969.db2.gz YJWRRLXYQOMXAX-SFHVURJKSA-N 1 0 300.450 4.222 50 0 DIAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000078739041 563781972 /nfs/dbraw/zinc/78/19/72/563781972.db2.gz ILQKCPWRQAHCKN-HOTGVXAUSA-N 1 0 310.441 4.317 50 0 DIAARO CC[N@H+](CCSc1ccccc1)Cc1[nH]cc(C)c(=O)c1C ZINC000253536968 563784498 /nfs/dbraw/zinc/78/44/98/563784498.db2.gz RSYMBVDMGSWSHM-UHFFFAOYSA-N 1 0 316.470 4.018 50 0 DIAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253596265 563784562 /nfs/dbraw/zinc/78/45/62/563784562.db2.gz PGNZHBZWAAFCJR-IVECGHKRSA-N 1 0 317.517 4.240 50 0 DIAARO Fc1ccc(COc2ccc(C[NH2+]Cc3cccnc3)cc2)cc1 ZINC000299785626 563806625 /nfs/dbraw/zinc/80/66/25/563806625.db2.gz KZMTXBOZUDEVCC-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO c1sc(C[NH2+][C@@H]2CCc3ccccc3C2)nc1-c1ccccc1 ZINC000084564644 563827554 /nfs/dbraw/zinc/82/75/54/563827554.db2.gz BJNJCCCXHQLMDG-GOSISDBHSA-N 1 0 320.461 4.457 50 0 DIAARO C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(C(F)(F)F)cc1 ZINC000084651528 563828872 /nfs/dbraw/zinc/82/88/72/563828872.db2.gz YSKDCNYJCKYMMV-OCCSQVGLSA-N 1 0 323.362 4.130 50 0 DIAARO C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(C(F)(F)F)cc1 ZINC000084651529 563829136 /nfs/dbraw/zinc/82/91/36/563829136.db2.gz YSKDCNYJCKYMMV-GXTWGEPZSA-N 1 0 323.362 4.130 50 0 DIAARO Fc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000104276712 563843460 /nfs/dbraw/zinc/84/34/60/563843460.db2.gz DHMMQFBVMCMNCO-PMACEKPBSA-N 1 0 316.464 4.055 50 0 DIAARO COc1cc([C@H](C)[NH2+]Cc2cc[nH]c2)ccc1OC1CCCC1 ZINC000086251087 563844834 /nfs/dbraw/zinc/84/48/34/563844834.db2.gz VHOFEDYUNGZAIK-AWEZNQCLSA-N 1 0 314.429 4.196 50 0 DIAARO C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)c1cccnc1 ZINC000090400557 563870422 /nfs/dbraw/zinc/87/04/22/563870422.db2.gz UANMGTAHITXXOQ-OLZOCXBDSA-N 1 0 319.246 4.126 50 0 DIAARO C[C@@H]1CC([NH2+][C@@H](CC2CCCCC2)c2ncccn2)C[C@@H](C)O1 ZINC000090966512 563877115 /nfs/dbraw/zinc/87/71/15/563877115.db2.gz FUGGCXDPELKHPD-RKVPGOIHSA-N 1 0 317.477 4.034 50 0 DIAARO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c(C)c1 ZINC000239433696 563880169 /nfs/dbraw/zinc/88/01/69/563880169.db2.gz YIAGVNLOFHZFER-ROUUACIJSA-N 1 0 314.473 4.062 50 0 DIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)(C)C)c1 ZINC000036100758 563893513 /nfs/dbraw/zinc/89/35/13/563893513.db2.gz QXNHFGRCHOXACB-IBGZPJMESA-N 1 0 321.505 4.019 50 0 DIAARO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)Cc2ccccc2)c1 ZINC000036100398 563893948 /nfs/dbraw/zinc/89/39/48/563893948.db2.gz GDARFDQPBXGQJN-NRFANRHFSA-N 1 0 311.469 4.057 50 0 DIAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)Cc1ccccc1 ZINC000036100803 563893969 /nfs/dbraw/zinc/89/39/69/563893969.db2.gz KJGLHLVVRKPNFM-OAQYLSRUSA-N 1 0 311.469 4.119 50 0 DIAARO CCC[N@@H+]1CCC[C@]2(C)[C@@H](OC(=O)c3ccccc3)CCC[C@H]12 ZINC000036367449 563896739 /nfs/dbraw/zinc/89/67/39/563896739.db2.gz MIJNOPJLAXKPEM-BJLQDIEVSA-N 1 0 315.457 4.277 50 0 biogenic DIAARO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccccc3OC)c21 ZINC000170593086 563907172 /nfs/dbraw/zinc/90/71/72/563907172.db2.gz YNIZJNTWNVSSSE-CQSZACIVSA-N 1 0 324.424 4.078 50 0 DIAARO Cc1c[nH+]c2ccccc2c1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000076093056 563912316 /nfs/dbraw/zinc/91/23/16/563912316.db2.gz BPHDXWMFWVUIIF-IBGZPJMESA-N 1 0 322.383 4.260 50 0 DIAARO CCCCc1noc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000170634526 563912812 /nfs/dbraw/zinc/91/28/12/563912812.db2.gz QBDSAVMMAINTCS-JKSUJKDBSA-N 1 0 313.445 4.099 50 0 DIAARO CCCCN1C(=O)C2=C(CCCC2)[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000252444370 563914851 /nfs/dbraw/zinc/91/48/51/563914851.db2.gz LXUSKGIXOLRPLI-OSGQAZFXSA-N 1 0 318.505 4.240 50 0 DIAARO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000170687335 563917779 /nfs/dbraw/zinc/91/77/79/563917779.db2.gz IAPFUAGYYDXUDF-OLZOCXBDSA-N 1 0 317.820 4.397 50 0 DIAARO O[C@H](C[N@@H+]1CCC[C@H]1c1cccs1)c1ccccc1Cl ZINC000058562980 563924065 /nfs/dbraw/zinc/92/40/65/563924065.db2.gz ZKGAVHXHAOLNLC-LSDHHAIUSA-N 1 0 307.846 4.272 50 0 DIAARO Cc1cc([C@H](C)[NH2+]Cc2ccc(C3OCCO3)cc2)c(C)s1 ZINC000095422395 563931350 /nfs/dbraw/zinc/93/13/50/563931350.db2.gz WMGRTIZVLFBTRI-ZDUSSCGKSA-N 1 0 317.454 4.261 50 0 DIAARO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C3OCCO3)cc2)c(C)s1 ZINC000095422394 563931438 /nfs/dbraw/zinc/93/14/38/563931438.db2.gz WMGRTIZVLFBTRI-CYBMUJFWSA-N 1 0 317.454 4.261 50 0 DIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)c2cccs2)c1 ZINC000095422755 563931456 /nfs/dbraw/zinc/93/14/56/563931456.db2.gz DKQYXICNERAQJL-OLZOCXBDSA-N 1 0 302.443 4.161 50 0 DIAARO CC([NH2+]Cc1cccc(O)c1)(c1ccccc1)c1ccccc1 ZINC000095947713 563932184 /nfs/dbraw/zinc/93/21/84/563932184.db2.gz RYMXXLIDBQAQMH-UHFFFAOYSA-N 1 0 303.405 4.446 50 0 DIAARO Cc1csc(C2([NH2+]CCCOc3ccccc3C)CCC2)n1 ZINC000095960374 563932492 /nfs/dbraw/zinc/93/24/92/563932492.db2.gz LZDKNIDKSFYMNH-UHFFFAOYSA-N 1 0 316.470 4.198 50 0 DIAARO C[C@@H](NCc1cccc(O)c1)c1cc(Br)ccc1F ZINC000095967597 563932917 /nfs/dbraw/zinc/93/29/17/563932917.db2.gz ULPIAKIJQIHZML-SNVBAGLBSA-N 1 0 324.193 4.145 50 0 DIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)c2ccsc2)c1 ZINC000095968795 563933308 /nfs/dbraw/zinc/93/33/08/563933308.db2.gz QJKHZCDCKGKKQP-STQMWFEESA-N 1 0 302.443 4.161 50 0 DIAARO Cc1noc(C)c1CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000095969130 563933379 /nfs/dbraw/zinc/93/33/79/563933379.db2.gz ZHJRLHNEVOUQKL-MRXNPFEDSA-N 1 0 302.443 4.051 50 0 DIAARO Cc1ccc(C[NH2+][C@H](C)c2cncc(F)c2)c(OC(C)C)c1 ZINC000095969189 563933397 /nfs/dbraw/zinc/93/33/97/563933397.db2.gz ATECTVBNYHEWEI-CQSZACIVSA-N 1 0 302.393 4.167 50 0 DIAARO C[C@@H]([NH2+][C@H](c1cnn(C)c1)C(C)(C)C)c1ccc(F)cc1F ZINC000095986422 563934077 /nfs/dbraw/zinc/93/40/77/563934077.db2.gz JHEZRMXBVUXTNG-BDJLRTHQSA-N 1 0 307.388 4.136 50 0 DIAARO CC(C)(C)[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc2ccccc2o1 ZINC000095996220 563934345 /nfs/dbraw/zinc/93/43/45/563934345.db2.gz HMYDAORUHYSJSZ-KBXCAEBGSA-N 1 0 313.397 4.436 50 0 DIAARO Cc1nc(-c2cccc(N[C@H](C)C3CC[NH+](C)CC3)c2)oc1C ZINC000097038183 563937664 /nfs/dbraw/zinc/93/76/64/563937664.db2.gz RXEOJXWARMUZIO-CQSZACIVSA-N 1 0 313.445 4.101 50 0 DIAARO COc1ccc2cc(C[N@H+](C)Cc3c(C)noc3C)ccc2c1 ZINC000028730673 563940579 /nfs/dbraw/zinc/94/05/79/563940579.db2.gz RRFWPDQJWBHBBO-UHFFFAOYSA-N 1 0 310.397 4.085 50 0 DIAARO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C)c1 ZINC000003140925 563942486 /nfs/dbraw/zinc/94/24/86/563942486.db2.gz OXIANEDSBSKEQN-LJQANCHMSA-N 1 0 322.452 4.215 50 0 DIAARO Cc1ccccc1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620881 563944655 /nfs/dbraw/zinc/94/46/55/563944655.db2.gz VUXKYHYJNUVURZ-UHFFFAOYSA-N 1 0 322.452 4.162 50 0 DIAARO C[C@@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1ccccc1)C1CC1 ZINC000032090145 563945322 /nfs/dbraw/zinc/94/53/22/563945322.db2.gz LWNXYDKNRVFMAG-UYAOXDASSA-N 1 0 301.474 4.292 50 0 DIAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@H+]1CCC[C@H](C)C1 ZINC000008700897 563949791 /nfs/dbraw/zinc/94/97/91/563949791.db2.gz WIYFKEZSQPKYHG-NSHDSACASA-N 1 0 304.821 4.134 50 0 DIAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717113 563949944 /nfs/dbraw/zinc/94/99/44/563949944.db2.gz GCKPMVBATPGXNP-UHFFFAOYSA-N 1 0 324.399 4.410 50 0 DIAARO Cc1cc(Cl)cc2c(=O)c(C[NH+]3CCC(C)CC3)c(C)[nH]c12 ZINC000008717234 563950033 /nfs/dbraw/zinc/95/00/33/563950033.db2.gz YQODLJUUBWLBHC-UHFFFAOYSA-N 1 0 318.848 4.443 50 0 DIAARO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[N@H+]1CCC[C@H](C)C1 ZINC000008717153 563950082 /nfs/dbraw/zinc/95/00/82/563950082.db2.gz DJJFNASQPGYBEM-NSHDSACASA-N 1 0 318.848 4.443 50 0 DIAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCc1ccccc1 ZINC000070006036 563955571 /nfs/dbraw/zinc/95/55/71/563955571.db2.gz LYFQVCXTTOMPGK-UHFFFAOYSA-N 1 0 319.452 4.328 50 0 DIAARO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009516830 563956648 /nfs/dbraw/zinc/95/66/48/563956648.db2.gz BPOLBYLBIPESAE-KBXCAEBGSA-N 1 0 314.404 4.284 50 0 DIAARO O=C(Nc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010313798 563958625 /nfs/dbraw/zinc/95/86/25/563958625.db2.gz OURWFFUINJHEHS-UHFFFAOYSA-N 1 0 314.816 4.188 50 0 DIAARO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000010434311 563958992 /nfs/dbraw/zinc/95/89/92/563958992.db2.gz VXIDTVQZISFGCM-UHFFFAOYSA-N 1 0 308.425 4.152 50 0 DIAARO CCCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000022147177 1036734700 /nfs/dbraw/zinc/73/47/00/1036734700.db2.gz VBLZSKOJXRSMPP-QGZVFWFLSA-N 1 0 321.505 4.183 50 0 DIAARO CCCCN1C(=O)C2=C(CCCC2)[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252444369 1039747777 /nfs/dbraw/zinc/74/77/77/1039747777.db2.gz LXUSKGIXOLRPLI-OHDICMOHSA-N 1 0 318.505 4.240 50 0 DIAARO CC[C@@H](C)[NH2+]CCCOc1c(C)cc(C)cc1Br ZINC000002822469 1040115017 /nfs/dbraw/zinc/11/50/17/1040115017.db2.gz VGOLDQYBUVZFOS-CYBMUJFWSA-N 1 0 314.267 4.223 50 0 DIAARO Fc1cccc(-c2noc3c2CN(Cc2cccs2)CC3)c1 ZINC000020515043 1041459089 /nfs/dbraw/zinc/45/90/89/1041459089.db2.gz QOVDMDKUFKGYDK-UHFFFAOYSA-N 1 0 314.385 4.101 50 0 DIAARO CCC[N@@H+]1C[C@@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257174601 1041540904 /nfs/dbraw/zinc/54/09/04/1041540904.db2.gz IQLJOJRUBIGWLL-INIZCTEOSA-N 1 0 311.429 4.106 50 0 DIAARO CC1CC[NH+](CCOc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000004845291 1042065570 /nfs/dbraw/zinc/06/55/70/1042065570.db2.gz ZITAWLJILIBKOH-UHFFFAOYSA-N 1 0 323.436 4.028 50 0 DIAARO CC(C)N(Cc1csc(-c2ncccn2)n1)Cc1ccccc1 ZINC000051649239 1042156243 /nfs/dbraw/zinc/15/62/43/1042156243.db2.gz CLGACXAMGSNNGE-UHFFFAOYSA-N 1 0 324.453 4.011 50 0 DIAARO C[C@H](O)CCC[NH2+][C@H](c1ccccc1)c1cccc2[nH]ccc21 ZINC000888099000 1042265066 /nfs/dbraw/zinc/26/50/66/1042265066.db2.gz SJIQGJHOZUKECF-MGPUTAFESA-N 1 0 308.425 4.008 50 0 DIAARO C[C@@H](O)CCC[NH2+][C@@H](c1ccccc1)c1cccc2[nH]ccc21 ZINC000888099002 1042265577 /nfs/dbraw/zinc/26/55/77/1042265577.db2.gz SJIQGJHOZUKECF-QRWLVFNGSA-N 1 0 308.425 4.008 50 0 DIAARO CC(C)Nc1ccnc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000215005343 1044339398 /nfs/dbraw/zinc/33/93/98/1044339398.db2.gz BAECKUYOIWXRLU-HNNXBMFYSA-N 1 0 310.445 4.121 50 0 DIAARO Fc1ccc(COc2cccc(C[NH2+]Cc3ccco3)c2)cc1 ZINC000007523656 1044395188 /nfs/dbraw/zinc/39/51/88/1044395188.db2.gz ICHDYXMOGGHVEF-UHFFFAOYSA-N 1 0 311.356 4.288 50 0 DIAARO Cc1ccc([C@@H]([NH2+]C[C@@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000025664770 1044548468 /nfs/dbraw/zinc/54/84/68/1044548468.db2.gz WRKBIPRRSXHZAA-YADHBBJMSA-N 1 0 317.432 4.408 50 0 DIAARO C[N@H+](C[C@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000012946766 1044743135 /nfs/dbraw/zinc/74/31/35/1044743135.db2.gz HNFBZQUIHQKOBZ-NRFANRHFSA-N 1 0 317.432 4.441 50 0 DIAARO c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(OC3CCCC3)c1)CO2 ZINC000014978174 1045561268 /nfs/dbraw/zinc/56/12/68/1045561268.db2.gz KCYRGBFPAMWZRY-GOSISDBHSA-N 1 0 323.436 4.101 50 0 DIAARO COc1ccc(Oc2cc(C[NH2+]C(C3CC3)C3CC3)ccn2)cc1 ZINC000163444540 1046635915 /nfs/dbraw/zinc/63/59/15/1046635915.db2.gz QHBPJCUXIGLUGV-UHFFFAOYSA-N 1 0 324.424 4.161 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008553274 1047350600 /nfs/dbraw/zinc/35/06/00/1047350600.db2.gz SDPUJZCHSFLDDN-VBNZEHGJSA-N 1 0 314.256 4.291 50 0 DIAARO CN(Cc1ccncc1Cl)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000075765538 1047593718 /nfs/dbraw/zinc/59/37/18/1047593718.db2.gz ZWOWWHFYZCWGNR-QGZVFWFLSA-N 1 0 304.796 4.457 50 0 DIAARO Cc1ccc2c(cc(C[N@@H+]3CCC[C@H]3c3cccnc3)n2C)c1 ZINC000825206818 1050291368 /nfs/dbraw/zinc/29/13/68/1050291368.db2.gz UWVPRILTRRNTQX-FQEVSTJZSA-N 1 0 305.425 4.219 50 0 DIAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000826604333 1050368450 /nfs/dbraw/zinc/36/84/50/1050368450.db2.gz YTQGKCSOZURUIQ-LJQANCHMSA-N 1 0 309.388 4.348 50 0 DIAARO Cc1cnc(-c2ccccc2)n1C1C[NH+](C2CCCCCC2)C1 ZINC000575548877 1050647415 /nfs/dbraw/zinc/64/74/15/1050647415.db2.gz GYHNVXPUDVFRNC-UHFFFAOYSA-N 1 0 309.457 4.438 50 0 DIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc2cc[nH]c2c1 ZINC000043039800 1050812801 /nfs/dbraw/zinc/81/28/01/1050812801.db2.gz POLLYAOFLNDOGW-UHFFFAOYSA-N 1 0 319.408 4.016 50 0 DIAARO Fc1ccc(F)c(CC[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000192925809 1051011109 /nfs/dbraw/zinc/01/11/09/1051011109.db2.gz KINMFYZKMYUAMY-SFHVURJKSA-N 1 0 302.368 4.044 50 0 DIAARO Cc1cnc(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)cn1 ZINC000952862358 1051121611 /nfs/dbraw/zinc/12/16/11/1051121611.db2.gz OLBRDRVLQGIWEZ-FQEVSTJZSA-N 1 0 309.457 4.066 50 0 DIAARO Cc1cccc(N2CCC([NH2+]Cc3ccc(Cl)o3)CC2)c1 ZINC000952982644 1051126494 /nfs/dbraw/zinc/12/64/94/1051126494.db2.gz ZJCJZGLKCSDZGG-UHFFFAOYSA-N 1 0 304.821 4.000 50 0 DIAARO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)o1 ZINC000678721460 1052618469 /nfs/dbraw/zinc/61/84/69/1052618469.db2.gz HICULKUAZWPVBP-CABCVRRESA-N 1 0 324.428 4.108 50 0 DIAARO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)o1 ZINC000678721462 1052619092 /nfs/dbraw/zinc/61/90/92/1052619092.db2.gz HICULKUAZWPVBP-HUUCEWRRSA-N 1 0 324.428 4.108 50 0 DIAARO Cc1ncsc1CN(C)Cc1ccccc1OC1CCCC1 ZINC000179425748 1053010462 /nfs/dbraw/zinc/01/04/62/1053010462.db2.gz HAYJXKYSKQKISQ-UHFFFAOYSA-N 1 0 316.470 4.405 50 0 DIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3ccccc32)cc1C ZINC000012305719 1057019122 /nfs/dbraw/zinc/01/91/22/1057019122.db2.gz RHCOOUJWKITOMY-HXUWFJFHSA-N 1 0 317.436 4.471 50 0 DIAARO C/C(=C\c1ccco1)C[N@@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000012317389 1057020876 /nfs/dbraw/zinc/02/08/76/1057020876.db2.gz FBZYYIZJBQSCQU-NTCAYCPXSA-N 1 0 319.408 4.131 50 0 DIAARO C[n+]1c(/C=C/c2coc3ccccc3c2=O)sc2ccccc21 ZINC000028294704 1057692836 /nfs/dbraw/zinc/69/28/36/1057692836.db2.gz AHBDATNRMRLBMJ-ZHACJKMWSA-N 1 0 320.393 4.003 50 0 DIAARO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(COC)c2)s1 ZINC000179222283 1057739561 /nfs/dbraw/zinc/73/95/61/1057739561.db2.gz CFPDXLAJUNHTJV-CQSZACIVSA-N 1 0 318.486 4.353 50 0 DIAARO Cc1cc(NCC2([NH+](C)C)CCCCC2)nc2cc(F)ccc12 ZINC001529106668 1058609993 /nfs/dbraw/zinc/60/99/93/1058609993.db2.gz QUYPZJLCYCYERD-UHFFFAOYSA-N 1 0 315.436 4.359 50 0 DIAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1cc(C(F)(F)F)ccc1F ZINC001529186304 1058630938 /nfs/dbraw/zinc/63/09/38/1058630938.db2.gz BMOWLNCQKAUVBK-AWEZNQCLSA-N 1 0 319.342 4.236 50 0 DIAARO CC(C)c1nccc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)n1 ZINC001506400060 1063507485 /nfs/dbraw/zinc/50/74/85/1063507485.db2.gz LTGWZKGJUITMRN-MRXNPFEDSA-N 1 0 311.473 4.446 50 0 DIAARO CCCn1ncc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)c1C ZINC001506419395 1063509938 /nfs/dbraw/zinc/50/99/38/1063509938.db2.gz ZUUWMACGTIDHRA-MRXNPFEDSA-N 1 0 313.489 4.448 50 0 DIAARO CC1CC[NH+](Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000076555438 185022520 /nfs/dbraw/zinc/02/25/20/185022520.db2.gz MASDJGHJTKSMBR-UHFFFAOYSA-N 1 0 319.452 4.317 50 0 DIAARO CO[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000090176696 185284821 /nfs/dbraw/zinc/28/48/21/185284821.db2.gz ATZOCFLLZIBIFO-VLIAUNLRSA-N 1 0 324.399 4.412 50 0 DIAARO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc2ccccc2o1 ZINC000090541942 185301927 /nfs/dbraw/zinc/30/19/27/185301927.db2.gz DSIBYAMNVHUIGR-JCKWVBRZSA-N 1 0 317.454 4.138 50 0 DIAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000082108833 192356336 /nfs/dbraw/zinc/35/63/36/192356336.db2.gz CCOFNABVGBPSNE-LBPRGKRZSA-N 1 0 324.255 4.107 50 0 DIAARO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccs1 ZINC000090667860 185308888 /nfs/dbraw/zinc/30/88/88/185308888.db2.gz HTBRMQZBDPHVJK-CABCVRRESA-N 1 0 315.486 4.019 50 0 DIAARO c1ncc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)s1 ZINC000095425764 185361686 /nfs/dbraw/zinc/36/16/86/185361686.db2.gz AYXMSGCWGSLFMS-UHFFFAOYSA-N 1 0 322.433 4.035 50 0 DIAARO COCCC[N@H+](C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000095455993 185370060 /nfs/dbraw/zinc/37/00/60/185370060.db2.gz YXLKPRSFIFOBIH-INIZCTEOSA-N 1 0 323.440 4.055 50 0 DIAARO O[C@H](C[NH2+][C@@H](c1ccccc1)C1CCCCC1)c1ccncc1 ZINC000095462855 185371185 /nfs/dbraw/zinc/37/11/85/185371185.db2.gz IBEIWNMJNNKDNT-UXHICEINSA-N 1 0 310.441 4.026 50 0 DIAARO O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCCCC1)c1ccncc1 ZINC000095462853 185371341 /nfs/dbraw/zinc/37/13/41/185371341.db2.gz IBEIWNMJNNKDNT-PMACEKPBSA-N 1 0 310.441 4.026 50 0 DIAARO Cc1nc(CC[NH2+]C2c3ccccc3-c3ccccc32)cs1 ZINC000095466850 185372220 /nfs/dbraw/zinc/37/22/20/185372220.db2.gz JQEYUNUCWWJJOC-UHFFFAOYSA-N 1 0 306.434 4.354 50 0 DIAARO COc1cc(-c2csc3ccccc23)cc2c1OCC[NH2+]C2 ZINC000067881679 190731158 /nfs/dbraw/zinc/73/11/58/190731158.db2.gz GHJJRVMUBJYFLL-UHFFFAOYSA-N 1 0 311.406 4.059 50 0 DIAARO Cn1c(C[N@@H+]2CCCC[C@@H]2c2ccccn2)cc2cc(F)ccc21 ZINC000072144316 191051768 /nfs/dbraw/zinc/05/17/68/191051768.db2.gz AKNBBGXHCILCJG-HXUWFJFHSA-N 1 0 323.415 4.440 50 0 DIAARO c1c2ccccc2oc1C[N@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000072146581 191053525 /nfs/dbraw/zinc/05/35/25/191053525.db2.gz SPPTXLODRYQZNH-GOSISDBHSA-N 1 0 322.408 4.009 50 0 DIAARO C[C@H](c1cncs1)[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072468015 191175760 /nfs/dbraw/zinc/17/57/60/191175760.db2.gz NQOGZIMYEPYVTP-CQSZACIVSA-N 1 0 318.486 4.040 50 0 DIAARO Cc1ccc(-c2nccn2C2CC[NH2+]CC2)c(Cl)c1Cl ZINC000072469350 191175784 /nfs/dbraw/zinc/17/57/84/191175784.db2.gz GLFSXEFJYZFMNJ-UHFFFAOYSA-N 1 0 310.228 4.090 50 0 DIAARO Clc1ccc(OCCCC[NH2+]CCc2ccccc2)cc1 ZINC000002825048 180961601 /nfs/dbraw/zinc/96/16/01/180961601.db2.gz QJIFBZUDWJQWMY-UHFFFAOYSA-N 1 0 303.833 4.331 50 0 DIAARO CC[n+]1c(C=CN(C(C)=O)c2ccccc2)ccc2ccccc21 ZINC000003123174 180982652 /nfs/dbraw/zinc/98/26/52/180982652.db2.gz QFCHEKKSNZVHLY-UHFFFAOYSA-N 1 0 317.412 4.171 50 0 DIAARO Cc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003347350 181009969 /nfs/dbraw/zinc/00/99/69/181009969.db2.gz YJHJDBRUZNLUAB-MRXNPFEDSA-N 1 0 318.420 4.265 50 0 DIAARO NC(=[NH2+])Sc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000003866089 181050558 /nfs/dbraw/zinc/05/05/58/181050558.db2.gz VOWSUHCXOKVQFY-UHFFFAOYSA-N 1 0 315.829 4.329 50 0 DIAARO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000004051260 181066693 /nfs/dbraw/zinc/06/66/93/181066693.db2.gz OMBGLKGFZAIRFY-UHFFFAOYSA-N 1 0 305.809 4.155 50 0 DIAARO CCc1ccc(-c2cc(N3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000004542572 181122354 /nfs/dbraw/zinc/12/23/54/181122354.db2.gz CCHHVWLFYHFQTR-UHFFFAOYSA-N 1 0 318.420 4.301 50 0 DIAARO CCOc1c(Cl)cc(C[NH2+]Cc2cccs2)cc1OC ZINC000004488536 181114667 /nfs/dbraw/zinc/11/46/67/181114667.db2.gz TWJNHHVSWJMLDO-UHFFFAOYSA-N 1 0 311.834 4.099 50 0 DIAARO CCOc1cc(C[NH2+]Cc2ccccc2)c(Cl)cc1OC ZINC000004670843 181134650 /nfs/dbraw/zinc/13/46/50/181134650.db2.gz ODNJDJSWRUYWOW-UHFFFAOYSA-N 1 0 305.805 4.037 50 0 DIAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1c(F)cccc1Cl ZINC000004678353 181135177 /nfs/dbraw/zinc/13/51/77/181135177.db2.gz ZANJOAFWQJZKIP-UHFFFAOYSA-N 1 0 315.779 4.492 50 0 DIAARO Cc1ccc(-c2c[nH+]c(NCc3ccccc3F)n2C)cc1C ZINC000004678941 181136277 /nfs/dbraw/zinc/13/62/77/181136277.db2.gz CFOLRCNUIFRNCB-UHFFFAOYSA-N 1 0 309.388 4.455 50 0 DIAARO Clc1c(OCC[NH2+]Cc2ccco2)ccc2ccccc21 ZINC000004842420 181161244 /nfs/dbraw/zinc/16/12/44/181161244.db2.gz JHZXHYQMCOBVLK-UHFFFAOYSA-N 1 0 301.773 4.255 50 0 DIAARO CC(=O)CCc1ccc(OCCCC[NH+]2CCC(C)CC2)cc1 ZINC000004842536 181161989 /nfs/dbraw/zinc/16/19/89/181161989.db2.gz VIULVGSJKXFNSU-UHFFFAOYSA-N 1 0 317.473 4.099 50 0 DIAARO CCOCCC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000004942793 181176908 /nfs/dbraw/zinc/17/69/08/181176908.db2.gz KNXODBXLRVSLQW-UHFFFAOYSA-N 1 0 310.441 4.331 50 0 DIAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3ccccn3)ccc21 ZINC000004942797 181176931 /nfs/dbraw/zinc/17/69/31/181176931.db2.gz YPJMOVVQKBFRNH-UHFFFAOYSA-N 1 0 315.420 4.499 50 0 DIAARO C[C@@H]([NH2+]CC1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000237420243 202261032 /nfs/dbraw/zinc/26/10/32/202261032.db2.gz GGISHNHSLFJGBV-OAHLLOKOSA-N 1 0 300.446 4.044 50 0 DIAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(F)cc3)c2c1 ZINC000005986570 181303807 /nfs/dbraw/zinc/30/38/07/181303807.db2.gz LPWZSRXQYZRSOH-UHFFFAOYSA-N 1 0 310.328 4.213 50 0 DIAARO COC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc(C)cc23)c1 ZINC000006256442 181323330 /nfs/dbraw/zinc/32/33/30/181323330.db2.gz NMAADMPTOZXWNK-UHFFFAOYSA-N 1 0 306.365 4.382 50 0 DIAARO CC[C@@H]([NH2+]Cc1ccncc1)c1ccccc1Br ZINC000089947911 192918040 /nfs/dbraw/zinc/91/80/40/192918040.db2.gz AQOSKWJJEZWNHY-OAHLLOKOSA-N 1 0 305.219 4.085 50 0 DIAARO C[C@@]1(O)CCC[N@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000216452326 201494039 /nfs/dbraw/zinc/49/40/39/201494039.db2.gz HLDHIEWVPFJNON-OAQYLSRUSA-N 1 0 309.453 4.055 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccc2ccccc2n1 ZINC000095967679 193465172 /nfs/dbraw/zinc/46/51/72/193465172.db2.gz GOKCWFVCCZJLHQ-LSDHHAIUSA-N 1 0 306.409 4.222 50 0 DIAARO Fc1ccccc1CC[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000095996208 193484329 /nfs/dbraw/zinc/48/43/29/193484329.db2.gz NYJGVVLFINHJRN-HXUWFJFHSA-N 1 0 306.384 4.142 50 0 DIAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)ccc1O ZINC000015836752 182020326 /nfs/dbraw/zinc/02/03/26/182020326.db2.gz SXDUSQIYCNJIHD-MRXNPFEDSA-N 1 0 317.816 4.391 50 0 DIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015837025 182020528 /nfs/dbraw/zinc/02/05/28/182020528.db2.gz FOFSOPIJPNWAOZ-HXUWFJFHSA-N 1 0 311.425 4.431 50 0 DIAARO Cc1ccc(C(C)(C)C)c(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247711 182038559 /nfs/dbraw/zinc/03/85/59/182038559.db2.gz FMWUSLYWNUBRIU-CALCHBBNSA-N 1 0 319.489 4.171 50 0 DIAARO Cc1cc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C(C)C)c1 ZINC000016247219 182038839 /nfs/dbraw/zinc/03/88/39/182038839.db2.gz GTFXIXHZLGHJRL-HDICACEKSA-N 1 0 319.489 4.387 50 0 DIAARO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C)CC1 ZINC000016606531 182052965 /nfs/dbraw/zinc/05/29/65/182052965.db2.gz NWDXAHQHAPAIJV-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO C[C@H](C[N@@H+]1CCC[C@@H](c2ccccc2)C1)n1cnc2ccccc21 ZINC000019112197 182104797 /nfs/dbraw/zinc/10/47/97/182104797.db2.gz QFKDUXSSMSKSKN-IEBWSBKVSA-N 1 0 319.452 4.477 50 0 DIAARO FC(F)(F)c1ccccc1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019300565 182114341 /nfs/dbraw/zinc/11/43/41/182114341.db2.gz HCJDUKIQGBZKBQ-INIZCTEOSA-N 1 0 316.326 4.422 50 0 DIAARO CC1CCC(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000019771302 182145317 /nfs/dbraw/zinc/14/53/17/182145317.db2.gz YTLAGVUSFRKDFA-UHFFFAOYSA-N 1 0 316.533 4.007 50 0 DIAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(-c2ccccc2)cc1 ZINC000019771287 182145409 /nfs/dbraw/zinc/14/54/09/182145409.db2.gz SQSJKDBFOPDVHW-UWJYYQICSA-N 1 0 306.453 4.022 50 0 DIAARO Cc1c2c(c(C)c3c1[C@]1(C)CC[C@@]3(C)[N@@H+]1C)[C@]1(C)C=C[C@@]2(C)N1C ZINC000019878398 182159904 /nfs/dbraw/zinc/15/99/04/182159904.db2.gz NIKDGIJCFAIYSB-ZDNVTZCJSA-N 1 0 322.496 4.419 50 0 DIAARO c1ccc2c(c1)cccc2CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019880295 182159927 /nfs/dbraw/zinc/15/99/27/182159927.db2.gz ROAYTCQGBNKYLT-LJQANCHMSA-N 1 0 320.480 4.314 50 0 DIAARO CC[C@H](C)[NH+]1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019889693 182160541 /nfs/dbraw/zinc/16/05/41/182160541.db2.gz BWIZVCZPDZIFHQ-SFHVURJKSA-N 1 0 324.468 4.395 50 0 DIAARO CC[C@@H](C)[NH+]1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019889690 182160682 /nfs/dbraw/zinc/16/06/82/182160682.db2.gz BWIZVCZPDZIFHQ-GOSISDBHSA-N 1 0 324.468 4.395 50 0 DIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)s2)c1 ZINC000020012749 182177665 /nfs/dbraw/zinc/17/76/65/182177665.db2.gz QGLFSGWMWNENAR-JTQLQIEISA-N 1 0 308.834 4.211 50 0 DIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)s2)c1 ZINC000020012746 182178002 /nfs/dbraw/zinc/17/80/02/182178002.db2.gz QGLFSGWMWNENAR-SNVBAGLBSA-N 1 0 308.834 4.211 50 0 DIAARO CC[NH+](CC)CCN(C)CC1c2ccccc2Oc2ccccc21 ZINC000020413572 182216056 /nfs/dbraw/zinc/21/60/56/182216056.db2.gz BZGFBMZTCFGEOL-UHFFFAOYSA-N 1 0 324.468 4.198 50 0 DIAARO CC[NH+]1CCN(Cc2csc(C)c2-c2ccc(C)cc2)CC1 ZINC000020514462 182226411 /nfs/dbraw/zinc/22/64/11/182226411.db2.gz CMJZHYSUQKYJBU-UHFFFAOYSA-N 1 0 314.498 4.169 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cccc(Cl)c1Cl ZINC000022781208 182334279 /nfs/dbraw/zinc/33/42/79/182334279.db2.gz SXXGGFSUGFMPFD-UHOFOFEASA-N 1 0 314.256 4.291 50 0 DIAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CCC(C(C)(C)C)CC2)C1 ZINC000023283394 182355382 /nfs/dbraw/zinc/35/53/82/182355382.db2.gz VSEDVSKIPIJAEK-WWDZGPRUSA-N 1 0 322.537 4.172 50 0 DIAARO C[NH+](C)Cc1ccccc1NC(=O)c1cccc(Cl)c1Cl ZINC000024809344 182391333 /nfs/dbraw/zinc/39/13/33/182391333.db2.gz FAARIQLTJOUDIM-UHFFFAOYSA-N 1 0 323.223 4.307 50 0 DIAARO Fc1ccccc1-c1c2cc(Cl)ccc2nc2c1C[NH2+]CC2 ZINC000024632317 182385611 /nfs/dbraw/zinc/38/56/11/182385611.db2.gz ZUFNUXNRGNOBRX-UHFFFAOYSA-N 1 0 312.775 4.340 50 0 DIAARO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCCc2ccccc21 ZINC000024829961 182392415 /nfs/dbraw/zinc/39/24/15/182392415.db2.gz DBKQBWBEEIPDOQ-NRFANRHFSA-N 1 0 317.436 4.382 50 0 DIAARO C[N@H+](Cc1ccccc1NC(=O)c1ccccn1)C1CCCCC1 ZINC000026492352 182443713 /nfs/dbraw/zinc/44/37/13/182443713.db2.gz BTCNKPNYAWVSBN-UHFFFAOYSA-N 1 0 323.440 4.098 50 0 DIAARO Cc1cc(C[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546250 183002686 /nfs/dbraw/zinc/00/26/86/183002686.db2.gz IONXTMCHRQXDCU-UHFFFAOYSA-N 1 0 318.442 4.134 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000040040716 183029356 /nfs/dbraw/zinc/02/93/56/183029356.db2.gz NBSYSPUTHCUZQT-MSOLQXFVSA-N 1 0 302.462 4.340 50 0 DIAARO Cc1ccccc1CN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039769790 183021923 /nfs/dbraw/zinc/02/19/23/183021923.db2.gz JBNGYRVTKLXUGR-RTWAWAEBSA-N 1 0 312.501 4.224 50 0 DIAARO OC1(CCCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000040448971 183068434 /nfs/dbraw/zinc/06/84/34/183068434.db2.gz QCYPWEXDRBOVNC-UHFFFAOYSA-N 1 0 309.453 4.036 50 0 DIAARO c1ccc(COc2ccc(OCC[C@H]3CCCC[NH2+]3)cc2)cc1 ZINC000042773039 183307148 /nfs/dbraw/zinc/30/71/48/183307148.db2.gz ANBSFWNLFHOQPW-GOSISDBHSA-N 1 0 311.425 4.177 50 0 DIAARO Clc1cc(-c2ccccc2)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042774988 183308021 /nfs/dbraw/zinc/30/80/21/183308021.db2.gz SQMCCKVIUMPBOB-CQSZACIVSA-N 1 0 301.817 4.385 50 0 DIAARO CC1(C)CC[C@@H]([NH2+]Cc2cccc3c2OCO3)c2ccccc21 ZINC000058065128 184073095 /nfs/dbraw/zinc/07/30/95/184073095.db2.gz YMFWDXDBFAJRQD-QGZVFWFLSA-N 1 0 309.409 4.318 50 0 DIAARO c1sc2ccccc2c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000058014205 184067237 /nfs/dbraw/zinc/06/72/37/184067237.db2.gz ZVXWSFMHZFLOOE-UHFFFAOYSA-N 1 0 308.450 4.224 50 0 DIAARO Cc1ccc([C@H](CNC(=O)CCC2CCCCC2)[NH+](C)C)cc1 ZINC000058439835 184118337 /nfs/dbraw/zinc/11/83/37/184118337.db2.gz NRFXYDQSLNUMHU-IBGZPJMESA-N 1 0 316.489 4.074 50 0 DIAARO COc1ccc([C@H](C)[N@H+](C)CCO[C@H]2CCCC[C@H]2C)cc1 ZINC000058932660 184132285 /nfs/dbraw/zinc/13/22/85/184132285.db2.gz QTNWFIKCEJOOLS-GJYPPUQNSA-N 1 0 305.462 4.283 50 0 DIAARO Cc1cc(C[N@@H+]2CCC[C@H]2Cc2cccc3ccccc32)on1 ZINC000060890509 184157392 /nfs/dbraw/zinc/15/73/92/184157392.db2.gz ZUOBLDPPXPELLS-SFHVURJKSA-N 1 0 306.409 4.343 50 0 DIAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064667147 184302387 /nfs/dbraw/zinc/30/23/87/184302387.db2.gz GOLBOEWXUFMOOF-QGZVFWFLSA-N 1 0 300.402 4.144 50 0 DIAARO Cc1c(O)ccc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1C ZINC000426726761 257243723 /nfs/dbraw/zinc/24/37/23/257243723.db2.gz KWUQPUSWAKJYGX-INIZCTEOSA-N 1 0 311.425 4.069 50 0 DIAARO COc1cc(C)cc(OC)c1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000426668173 257244143 /nfs/dbraw/zinc/24/41/43/257244143.db2.gz AIFHQCNOXATPKL-UHFFFAOYSA-N 1 0 311.425 4.275 50 0 DIAARO C[C@H](c1cccc(-c2ccc3oc(=O)[nH]c3c2)c1)[NH+]1CCCC1 ZINC000426584686 257245826 /nfs/dbraw/zinc/24/58/26/257245826.db2.gz LIDURXDNTMYCGB-CYBMUJFWSA-N 1 0 308.381 4.357 50 0 DIAARO CNC(=O)c1cccc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c1 ZINC000426552068 257246810 /nfs/dbraw/zinc/24/68/10/257246810.db2.gz VAAJTXPOCZNECE-INIZCTEOSA-N 1 0 322.452 4.260 50 0 DIAARO CC(C)[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccn2)c2ccccc2)CCO1 ZINC000408514147 257256177 /nfs/dbraw/zinc/25/61/77/257256177.db2.gz HAWSCTVRCKYSRB-NJYVYQBISA-N 1 0 324.468 4.159 50 0 DIAARO Cc1cnn(C)c1C[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC000286405526 131234417 /nfs/dbraw/zinc/23/44/17/131234417.db2.gz HQNDWWOTMASKBB-SFHVURJKSA-N 1 0 311.429 4.270 50 0 DIAARO C[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1cccc(O)c1 ZINC000132222164 196236497 /nfs/dbraw/zinc/23/64/97/196236497.db2.gz RLSWAVITHLTVEH-HNNXBMFYSA-N 1 0 304.393 4.305 50 0 DIAARO Cc1ccc2nc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)cn2c1 ZINC000560541550 332355392 /nfs/dbraw/zinc/35/53/92/332355392.db2.gz BDDOVKHSPUTCHY-SFHVURJKSA-N 1 0 305.425 4.022 50 0 DIAARO Cc1c[nH+]ccc1N1CCC(Oc2ccccc2Cl)CC1 ZINC000192718501 337307089 /nfs/dbraw/zinc/30/70/89/337307089.db2.gz AKUADAHENJQFJD-UHFFFAOYSA-N 1 0 302.805 4.091 50 0 DIAARO COc1ccc([C@@H]([NH2+]Cc2scnc2C)C(C)C)c(F)c1 ZINC000421840297 337653232 /nfs/dbraw/zinc/65/32/32/337653232.db2.gz YPEVXFLZGMBXPN-INIZCTEOSA-N 1 0 308.422 4.086 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@H]3C)c2cc1Cl ZINC000002358051 563927218 /nfs/dbraw/zinc/92/72/18/563927218.db2.gz IWBGOPQIZMLDEE-GFCCVEGCSA-N 1 0 305.805 4.129 50 0 DIAARO Cc1cc(C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cs1 ZINC000057992729 563943586 /nfs/dbraw/zinc/94/35/86/563943586.db2.gz SMMXNKLMYVFJBA-UHFFFAOYSA-N 1 0 320.889 4.341 50 0 DIAARO Clc1ccc2c(c1)[C@@H](C1=[NH+]CCN1)c1ccccc1CS2 ZINC000000004155 563211114 /nfs/dbraw/zinc/21/11/14/563211114.db2.gz HLSOHEMSDNNTJI-INIZCTEOSA-N 1 0 314.841 4.079 50 0 DIAARO Clc1ccc2c(c1)CCc1cccnc1C2=C1CC[NH2+]CC1 ZINC000000001261 563211082 /nfs/dbraw/zinc/21/10/82/563211082.db2.gz JAUOIFJMECXRGI-UHFFFAOYSA-N 1 0 310.828 4.019 50 0 fda DIAARO Clc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000000431669 563253482 /nfs/dbraw/zinc/25/34/82/563253482.db2.gz PBIFXKDAVNPOMV-UHFFFAOYSA-N 1 0 300.833 4.417 50 0 DIAARO CC(C)(C)C1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000001229333 563279902 /nfs/dbraw/zinc/27/99/02/563279902.db2.gz RELYLOXDCLSWTQ-UHFFFAOYSA-N 1 0 300.490 4.414 50 0 DIAARO CC[NH+](CC)[C@H]1C(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1 ZINC000001294318 563281047 /nfs/dbraw/zinc/28/10/47/563281047.db2.gz OEGOERCGICFUBB-RTBURBONSA-N 1 0 308.425 4.439 50 0 DIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(F)c(Cl)c1 ZINC000002514907 563305335 /nfs/dbraw/zinc/30/53/35/563305335.db2.gz BKOJVZKRAONRJW-UHFFFAOYSA-N 1 0 315.775 4.082 50 0 DIAARO CSc1ccccc1C(=O)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514891 563305391 /nfs/dbraw/zinc/30/53/91/563305391.db2.gz WZFGLOGPLKYKSZ-UHFFFAOYSA-N 1 0 309.434 4.011 50 0 DIAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1cc(F)cc(F)c1 ZINC000002515036 563305762 /nfs/dbraw/zinc/30/57/62/563305762.db2.gz WWQYXMDZOYXDOT-UHFFFAOYSA-N 1 0 315.363 4.182 50 0 DIAARO CSc1ccccc1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515058 563305825 /nfs/dbraw/zinc/30/58/25/563305825.db2.gz BJIRMOODTDMJEP-UHFFFAOYSA-N 1 0 311.450 4.235 50 0 DIAARO CCCC[NH2+]CCCCOc1ccc(C)cc1Br ZINC000003002018 563320467 /nfs/dbraw/zinc/32/04/67/563320467.db2.gz WNNDDCWFOYKBLR-UHFFFAOYSA-N 1 0 314.267 4.306 50 0 DIAARO FC(F)(F)c1cccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000004980590 563328304 /nfs/dbraw/zinc/32/83/04/563328304.db2.gz JQYDSAVYMCXYTA-OAHLLOKOSA-N 1 0 324.390 4.184 50 0 DIAARO Cc1ccc(C)c(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c1 ZINC000004981226 563328344 /nfs/dbraw/zinc/32/83/44/563328344.db2.gz HLHMERMDTZCCDJ-UHFFFAOYSA-N 1 0 324.512 4.250 50 0 DIAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OC1CCCC1 ZINC000005078344 563329157 /nfs/dbraw/zinc/32/91/57/563329157.db2.gz XJHZEKZZUDBHGG-UHFFFAOYSA-N 1 0 303.446 4.439 50 0 DIAARO CC[C@H](Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccccc1 ZINC000071909501 563333186 /nfs/dbraw/zinc/33/31/86/563333186.db2.gz PCSWONIUOLMVAY-NRFANRHFSA-N 1 0 324.468 4.207 50 0 DIAARO C[C@@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccncc1 ZINC000097370691 563336490 /nfs/dbraw/zinc/33/64/90/563336490.db2.gz GGNFQJPVHIYTIO-GFCCVEGCSA-N 1 0 313.788 4.241 50 0 DIAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1 ZINC000007540870 563339254 /nfs/dbraw/zinc/33/92/54/563339254.db2.gz PLXUGOTXTJMHGW-MRXNPFEDSA-N 1 0 321.420 4.332 50 0 DIAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Cl ZINC000008553293 563348091 /nfs/dbraw/zinc/34/80/91/563348091.db2.gz UZHMQBMKYWOFAJ-MJBXVCDLSA-N 1 0 309.837 4.148 50 0 DIAARO O=C(NC1CCCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010330771 563355817 /nfs/dbraw/zinc/35/58/17/563355817.db2.gz RVKDLVLUKSDUKY-UHFFFAOYSA-N 1 0 314.473 4.125 50 0 DIAARO O=C(Nc1cccc(F)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010335640 563356232 /nfs/dbraw/zinc/35/62/32/563356232.db2.gz LQWKUTHVGJMYQU-UHFFFAOYSA-N 1 0 312.388 4.064 50 0 DIAARO Cc1nn(C)c(C)c1C[N@@H+]1CCCC[C@H]1CCc1cccs1 ZINC000032561114 563358316 /nfs/dbraw/zinc/35/83/16/563358316.db2.gz WUELLVLVCYURSI-INIZCTEOSA-N 1 0 317.502 4.086 50 0 DIAARO Cc1nn(C)c(C)c1C[N@@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000032561113 563358412 /nfs/dbraw/zinc/35/84/12/563358412.db2.gz WUELLVLVCYURSI-MRXNPFEDSA-N 1 0 317.502 4.086 50 0 DIAARO Cc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2C)C1 ZINC000011839940 563359904 /nfs/dbraw/zinc/35/99/04/563359904.db2.gz VNRYNSNLDGVKKC-QFIPXVFZSA-N 1 0 323.480 4.121 50 0 DIAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000012387080 563368211 /nfs/dbraw/zinc/36/82/11/563368211.db2.gz DXZUGEBKHROFSJ-CQSZACIVSA-N 1 0 323.889 4.130 50 0 DIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000012707960 563372139 /nfs/dbraw/zinc/37/21/39/563372139.db2.gz LEAPPSAWKDFVQW-CYBMUJFWSA-N 1 0 311.347 4.153 50 0 DIAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000012713671 563372923 /nfs/dbraw/zinc/37/29/23/563372923.db2.gz FLHXVEUWLLPBAM-ZDUSSCGKSA-N 1 0 311.347 4.153 50 0 DIAARO CCc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@H]3C)c2cc1Cl ZINC000032652312 563375572 /nfs/dbraw/zinc/37/55/72/563375572.db2.gz OBMVSYKIKVNXGQ-GFCCVEGCSA-N 1 0 319.832 4.383 50 0 DIAARO CCOc1ccc2ccccc2c1CNCCC[NH+](CC)CC ZINC000013734396 563388307 /nfs/dbraw/zinc/38/83/07/563388307.db2.gz JOJKIUJVRXSYGK-UHFFFAOYSA-N 1 0 314.473 4.060 50 0 DIAARO c1cc(-c2nc(CN3CCc4ccccc4C3)cs2)cs1 ZINC000032753192 563390740 /nfs/dbraw/zinc/39/07/40/563390740.db2.gz PSHZGUWEIBTQCY-UHFFFAOYSA-N 1 0 312.463 4.430 50 0 DIAARO S=c1n(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc2ccccn21 ZINC000014309194 563400423 /nfs/dbraw/zinc/40/04/23/563400423.db2.gz BZGNDVCWURUFSI-QGZVFWFLSA-N 1 0 309.438 4.265 50 0 DIAARO Cc1c(Cl)cccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000032862287 563403525 /nfs/dbraw/zinc/40/35/25/563403525.db2.gz KYAMXZVABGCVJX-UHFFFAOYSA-N 1 0 323.868 4.079 50 0 DIAARO Cc1c([C@@H](C)[NH2+]CCc2ccccc2)cnn1-c1cccc(F)c1 ZINC000014949155 563404382 /nfs/dbraw/zinc/40/43/82/563404382.db2.gz GAWNPWSULNDIFD-OAHLLOKOSA-N 1 0 323.415 4.213 50 0 DIAARO Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCCC[C@@H]3O)cs2)cs1 ZINC000165259188 563407721 /nfs/dbraw/zinc/40/77/21/563407721.db2.gz HHYOALFLDJVXJW-ZBINZKHDSA-N 1 0 322.499 4.134 50 0 DIAARO Cc1ccc(CCC[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)cc1 ZINC000020541567 563417446 /nfs/dbraw/zinc/41/74/46/563417446.db2.gz AAGUMYWXGXCFEF-NRFANRHFSA-N 1 0 324.468 4.004 50 0 DIAARO Cc1ccc(CCC[N@@H+](Cc2ccncc2)C[C@H]2CCCO2)cc1 ZINC000020541569 563417739 /nfs/dbraw/zinc/41/77/39/563417739.db2.gz AAGUMYWXGXCFEF-OAQYLSRUSA-N 1 0 324.468 4.004 50 0 DIAARO c1ccc2oc(NCc3ccccc3C[NH+]3CCCC3)nc2c1 ZINC000025249742 563422273 /nfs/dbraw/zinc/42/22/73/563422273.db2.gz HRRQGKNBAIAQLH-UHFFFAOYSA-N 1 0 307.397 4.036 50 0 DIAARO CC(C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027663726 563429216 /nfs/dbraw/zinc/42/92/16/563429216.db2.gz RUPNZVDVXHRWBS-QGZVFWFLSA-N 1 0 322.880 4.029 50 0 DIAARO Cc1ccc([C@@H](CNC(=O)CC(C)C)[NH+]2CCCCCC2)cc1 ZINC000027664378 563429271 /nfs/dbraw/zinc/42/92/71/563429271.db2.gz XIASEDNBTGOJFU-LJQANCHMSA-N 1 0 316.489 4.074 50 0 DIAARO CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027662138 563429591 /nfs/dbraw/zinc/42/95/91/563429591.db2.gz JXPBKNOQGIPTJI-IBGZPJMESA-N 1 0 316.489 4.074 50 0 DIAARO CC[NH+](CC)Cc1ccc(CNc2nc3ccccc3o2)cc1 ZINC000029395942 563434682 /nfs/dbraw/zinc/43/46/82/563434682.db2.gz KHURLVKEPWRWRB-UHFFFAOYSA-N 1 0 309.413 4.282 50 0 DIAARO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018648 563443747 /nfs/dbraw/zinc/44/37/47/563443747.db2.gz RYLYVLWETITNMK-UHFFFAOYSA-N 1 0 321.420 4.432 50 0 DIAARO Clc1cccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000000219379 563447119 /nfs/dbraw/zinc/44/71/19/563447119.db2.gz HBZZIGDALTUUSP-VMPITWQZSA-N 1 0 312.844 4.175 50 0 DIAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000022078284 563449011 /nfs/dbraw/zinc/44/90/11/563449011.db2.gz LNEOUCDXRBFVTR-UTKZUKDTSA-N 1 0 322.452 4.147 50 0 DIAARO Cc1ccc(C)c(N2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000004980851 563450554 /nfs/dbraw/zinc/45/05/54/563450554.db2.gz DFAZKXXYTBVFSM-UHFFFAOYSA-N 1 0 308.469 4.058 50 0 DIAARO CN(C)CC[NH2+]Cc1ccccc1Sc1ccccc1Cl ZINC000035287364 563452877 /nfs/dbraw/zinc/45/28/77/563452877.db2.gz KEFJETYMHIDAFA-UHFFFAOYSA-N 1 0 320.889 4.142 50 0 DIAARO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1ccc(O)c(Cl)c1 ZINC000055089005 563470962 /nfs/dbraw/zinc/47/09/62/563470962.db2.gz DKAQSKJVLSUHGQ-ZDUSSCGKSA-N 1 0 304.821 4.241 50 0 DIAARO CCn1nc(C)c(C[N@H+](CC)C/C(C)=C/c2ccco2)c1C ZINC000055060699 563471152 /nfs/dbraw/zinc/47/11/52/563471152.db2.gz IUUOPLBPKSGUQO-SDNWHVSQSA-N 1 0 301.434 4.038 50 0 DIAARO CC[C@@H](C)C[NH+]1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000055224571 563472480 /nfs/dbraw/zinc/47/24/80/563472480.db2.gz OLVFERIOBZHUGV-OAHLLOKOSA-N 1 0 304.482 4.009 50 0 DIAARO CSc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000055291843 563473494 /nfs/dbraw/zinc/47/34/94/563473494.db2.gz WSFGXUCOVREYGQ-UHFFFAOYSA-N 1 0 312.482 4.039 50 0 DIAARO Clc1cccc([C@@H](NCc2cccnc2)c2ccccn2)c1 ZINC000096473238 563483450 /nfs/dbraw/zinc/48/34/50/563483450.db2.gz OZXJSTUEJFOEDM-GOSISDBHSA-N 1 0 309.800 4.009 50 0 DIAARO Fc1cccc([C@H](NCc2cc[nH]n2)c2cccc(Cl)c2)c1 ZINC000096466809 563483614 /nfs/dbraw/zinc/48/36/14/563483614.db2.gz METHTSARHUZFKP-QGZVFWFLSA-N 1 0 315.779 4.081 50 0 DIAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1ccc(O)c(Cl)c1 ZINC000063847249 563485581 /nfs/dbraw/zinc/48/55/81/563485581.db2.gz UOSJZNFBGHLOJI-CYBMUJFWSA-N 1 0 304.821 4.241 50 0 DIAARO Cc1ccccc1OC[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000067655010 563488719 /nfs/dbraw/zinc/48/87/19/563488719.db2.gz AFVICMCKOOMKEF-AWEZNQCLSA-N 1 0 301.352 4.038 50 0 DIAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1nccc2occc21 ZINC000067673816 563488795 /nfs/dbraw/zinc/48/87/95/563488795.db2.gz CKIMTNQLDXIQRA-UHFFFAOYSA-N 1 0 324.380 4.225 50 0 DIAARO CC(C)c1cc(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)[nH]n1 ZINC000067741834 563489285 /nfs/dbraw/zinc/48/92/85/563489285.db2.gz CEXFJKJRKCQKLF-UHFFFAOYSA-N 1 0 319.399 4.191 50 0 DIAARO C[C@H](c1ccncc1)N(C)Cc1ccccc1OC(F)(F)F ZINC000067716185 563489508 /nfs/dbraw/zinc/48/95/08/563489508.db2.gz NFEHJIMDBIRVKR-GFCCVEGCSA-N 1 0 310.319 4.173 50 0 DIAARO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccsc3)C3CC3)cc2c1 ZINC000067821535 563491428 /nfs/dbraw/zinc/49/14/28/563491428.db2.gz XXYUSKCFVYPIJW-UHFFFAOYSA-N 1 0 324.449 4.063 50 0 DIAARO C[C@@H](c1ccc(-c2cccc3[nH]ccc32)cc1)[NH+]1CCOCC1 ZINC000067881726 563493223 /nfs/dbraw/zinc/49/32/23/563493223.db2.gz WBOOABBEZQVBRX-HNNXBMFYSA-N 1 0 306.409 4.228 50 0 DIAARO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000077340864 563509399 /nfs/dbraw/zinc/50/93/99/563509399.db2.gz ICLIZBCHRBQNJT-CQSZACIVSA-N 1 0 311.454 4.312 50 0 DIAARO Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@H]1c1ccsc1 ZINC000247991661 563536650 /nfs/dbraw/zinc/53/66/50/563536650.db2.gz NBYKEYBTYQIATB-YOEHRIQHSA-N 1 0 314.454 4.221 50 0 DIAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(-c3ccco3)c2)C1 ZINC000097742801 563541955 /nfs/dbraw/zinc/54/19/55/563541955.db2.gz JPBDLCWMYXIMNL-NRFANRHFSA-N 1 0 319.404 4.040 50 0 DIAARO Cc1c(O)ccc2c(C[N@@H+](C)[C@H](C)c3ccccc3)cc(=O)oc12 ZINC000012979309 563596038 /nfs/dbraw/zinc/59/60/38/563596038.db2.gz OCUVKVIVKKZXSB-CQSZACIVSA-N 1 0 323.392 4.000 50 0 DIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000124073400 563599283 /nfs/dbraw/zinc/59/92/83/563599283.db2.gz DBQNXTRFKXNREF-LJQANCHMSA-N 1 0 312.388 4.121 50 0 DIAARO CO[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000000293454 563629170 /nfs/dbraw/zinc/62/91/70/563629170.db2.gz IUSFWLVPOJVAGO-HUUCEWRRSA-N 1 0 302.245 4.083 50 0 DIAARO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000000293456 563629466 /nfs/dbraw/zinc/62/94/66/563629466.db2.gz IUSFWLVPOJVAGO-GJZGRUSLSA-N 1 0 302.245 4.083 50 0 DIAARO Fc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000000758131 563632325 /nfs/dbraw/zinc/63/23/25/563632325.db2.gz GMGIXYWKFNMAAW-UHFFFAOYSA-N 1 0 302.368 4.041 50 0 DIAARO O=C(/C=C/c1ccccc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000000514988 563661189 /nfs/dbraw/zinc/66/11/89/563661189.db2.gz RBCCVOQPSIGCGO-SDNWHVSQSA-N 1 0 320.436 4.324 50 0 DIAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000107058470 563682682 /nfs/dbraw/zinc/68/26/82/563682682.db2.gz UCZCMIPOXXIESO-YRNRMSPPSA-N 1 0 324.468 4.137 50 0 DIAARO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000109044293 563690139 /nfs/dbraw/zinc/69/01/39/563690139.db2.gz CDWKJPACYVRXMX-HHXXYDBFSA-N 1 0 316.489 4.058 50 0 DIAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCC2CCCC2)cc1 ZINC000048299434 563695625 /nfs/dbraw/zinc/69/56/25/563695625.db2.gz ADVCHIJMHIITSS-UHFFFAOYSA-N 1 0 316.489 4.115 50 0 DIAARO C[C@@H](C[N@H+]1CC=CCC1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000100812188 563700018 /nfs/dbraw/zinc/70/00/18/563700018.db2.gz JRLONDNYHCBKKH-SIKLNZKXSA-N 1 0 321.464 4.015 50 0 DIAARO C[N@H+](CCc1ccccn1)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000215236641 563704589 /nfs/dbraw/zinc/70/45/89/563704589.db2.gz PPUBUBNEFOVJGZ-KRWDZBQOSA-N 1 0 316.470 4.059 50 0 DIAARO COc1cc2c(cc1C[NH2+][C@H]1CCCc3ccccc31)O[C@@H](C)C2 ZINC000025259865 563726100 /nfs/dbraw/zinc/72/61/00/563726100.db2.gz KOQNBDLESMLTMX-LIRRHRJNSA-N 1 0 323.436 4.186 50 0 DIAARO Cn1c(C[N@@H+]2CCCCC[C@H]2C2CCCCC2)nnc1C1CC1 ZINC000225397044 563754161 /nfs/dbraw/zinc/75/41/61/563754161.db2.gz KDQDHMNTDAAJMR-KRWDZBQOSA-N 1 0 316.493 4.017 50 0 DIAARO Cc1nc2c(n1[C@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)CCCC2 ZINC000225430916 563755474 /nfs/dbraw/zinc/75/54/74/563755474.db2.gz QQRZSKBVCSKMCD-QAPCUYQASA-N 1 0 309.457 4.078 50 0 DIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc3cccnc32)c1 ZINC000028925016 563757927 /nfs/dbraw/zinc/75/79/27/563757927.db2.gz ZMBGAKBVHKCAHL-AWEZNQCLSA-N 1 0 319.408 4.044 50 0 DIAARO CN(Cc1cc(C2CC2)on1)Cc1ccccc1C(F)(F)F ZINC000244795645 563780121 /nfs/dbraw/zinc/78/01/21/563780121.db2.gz RKVCGXPZSVRPFR-UHFFFAOYSA-N 1 0 310.319 4.203 50 0 DIAARO C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCc1ccccc1 ZINC000051999041 563783464 /nfs/dbraw/zinc/78/34/64/563783464.db2.gz MLKZJEVWELDAIB-CYBMUJFWSA-N 1 0 313.426 4.034 50 0 DIAARO Cc1ccc(CCCC(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000052666275 563790105 /nfs/dbraw/zinc/79/01/05/563790105.db2.gz SPJVRXNPLORYDU-UHFFFAOYSA-N 1 0 310.441 4.018 50 0 DIAARO Brc1ccc(-c2csc3[n+]2CCCCC3)cc1 ZINC000012558443 563801380 /nfs/dbraw/zinc/80/13/80/563801380.db2.gz PMXQYLZSJZTRDF-UHFFFAOYSA-N 1 0 309.252 4.192 50 0 DIAARO CC[C@@H](C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000299787651 563806284 /nfs/dbraw/zinc/80/62/84/563806284.db2.gz YBKLAMPEVVEFDI-ZBFHGGJFSA-N 1 0 315.436 4.441 50 0 DIAARO CC[C@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000299787649 563806493 /nfs/dbraw/zinc/80/64/93/563806493.db2.gz YBKLAMPEVVEFDI-GOEBONIOSA-N 1 0 315.436 4.441 50 0 DIAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000012672979 563808978 /nfs/dbraw/zinc/80/89/78/563808978.db2.gz KYHBUFSRGTXJQT-KXBFYZLASA-N 1 0 308.425 4.063 50 0 DIAARO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000012672780 563809148 /nfs/dbraw/zinc/80/91/48/563809148.db2.gz HMSGZGIKWSXIPJ-MGPUTAFESA-N 1 0 322.452 4.317 50 0 DIAARO c1ccc2c(c1)ccc1c2OCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000084055901 563821286 /nfs/dbraw/zinc/82/12/86/563821286.db2.gz YLOXFCYXNLHWGI-LJQANCHMSA-N 1 0 304.393 4.238 50 0 DIAARO Cn1c(Cl)cnc1CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000084303819 563825637 /nfs/dbraw/zinc/82/56/37/563825637.db2.gz JWZWLOGOZNIVHQ-INIZCTEOSA-N 1 0 315.848 4.116 50 0 DIAARO C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(C(F)(F)F)cc1 ZINC000084651530 563828970 /nfs/dbraw/zinc/82/89/70/563828970.db2.gz YSKDCNYJCKYMMV-TZMCWYRMSA-N 1 0 323.362 4.130 50 0 DIAARO Cc1ccc(C(C)(C)C)c(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020167943 563843124 /nfs/dbraw/zinc/84/31/24/563843124.db2.gz FMWUSLYWNUBRIU-IAGOWNOFSA-N 1 0 319.489 4.171 50 0 DIAARO CC(C)[C@H]([NH2+]C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000090664410 563873614 /nfs/dbraw/zinc/87/36/14/563873614.db2.gz VONJRMZOFJTJLS-HNNXBMFYSA-N 1 0 301.352 4.171 50 0 DIAARO Clc1ccc([C@H](OC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000038881034 563876676 /nfs/dbraw/zinc/87/66/76/563876676.db2.gz WIKOEABUWYGKIW-GOSISDBHSA-N 1 0 301.817 4.198 50 0 DIAARO C[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1cccc(F)c1F ZINC000090963234 563876979 /nfs/dbraw/zinc/87/69/79/563876979.db2.gz ZBSMHWSBTYWNHW-STQMWFEESA-N 1 0 304.384 4.443 50 0 DIAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccco1)c1ccco1 ZINC000002102750 563887183 /nfs/dbraw/zinc/88/71/83/563887183.db2.gz TZHGLYOQWYMVTJ-QGZVFWFLSA-N 1 0 311.381 4.193 50 0 biogenic DIAARO c1sc2ccccc2c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000066342451 563894738 /nfs/dbraw/zinc/89/47/38/563894738.db2.gz POMQELBPVMWPED-UHFFFAOYSA-N 1 0 322.477 4.219 50 0 DIAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000007043152 563901528 /nfs/dbraw/zinc/90/15/28/563901528.db2.gz QJKKSFDPFVMOBS-VBKZILBWSA-N 1 0 318.420 4.406 50 0 DIAARO CC(C)(C)c1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000007433787 563906385 /nfs/dbraw/zinc/90/63/85/563906385.db2.gz FHJQYIKWAPIOTK-UHFFFAOYSA-N 1 0 324.468 4.012 50 0 DIAARO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccccc3OC)c21 ZINC000170593085 563906910 /nfs/dbraw/zinc/90/69/10/563906910.db2.gz YNIZJNTWNVSSSE-AWEZNQCLSA-N 1 0 324.424 4.078 50 0 DIAARO C/C=C/c1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000002823364 563913090 /nfs/dbraw/zinc/91/30/90/563913090.db2.gz PZSOOIFECZNCKM-RRGWEWPQSA-N 1 0 303.446 4.229 50 0 DIAARO CC[C@H](C)[C@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1 ZINC000002168040 563915664 /nfs/dbraw/zinc/91/56/64/563915664.db2.gz YHOBTARVXRPKOX-WMZOPIPTSA-N 1 0 305.462 4.091 50 0 DIAARO CC[N@H+](Cc1cnn(CC(C)C)c1)Cc1ccc2[nH]ccc2c1 ZINC000252508091 563916383 /nfs/dbraw/zinc/91/63/83/563916383.db2.gz XCKPVBZETCRKDY-UHFFFAOYSA-N 1 0 310.445 4.043 50 0 DIAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000007785998 563919366 /nfs/dbraw/zinc/91/93/66/563919366.db2.gz MLYRCFYQEOICTJ-UHFFFAOYSA-N 1 0 323.651 4.364 50 0 DIAARO COc1ccnc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000195559727 563919782 /nfs/dbraw/zinc/91/97/82/563919782.db2.gz VHTCPQXEKCMSDR-HNNXBMFYSA-N 1 0 319.408 4.003 50 0 DIAARO Cc1ccccc1NC(=O)C[C@@H]1c2ccccc2CC(C)(C)[N@@H+]1C ZINC000000343577 563920449 /nfs/dbraw/zinc/92/04/49/563920449.db2.gz UKYROQSLELFTPS-LJQANCHMSA-N 1 0 322.452 4.331 50 0 biogenic DIAARO O=C(C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1)Nc1ccccc1 ZINC000079103715 563930308 /nfs/dbraw/zinc/93/03/08/563930308.db2.gz VWFOIORFOGTVHU-RXVVDRJESA-N 1 0 320.436 4.026 50 0 DIAARO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000095422815 563931346 /nfs/dbraw/zinc/93/13/46/563931346.db2.gz BUUXQPAZANUZCE-MNOVXSKESA-N 1 0 315.442 4.183 50 0 DIAARO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000095422817 563931361 /nfs/dbraw/zinc/93/13/61/563931361.db2.gz BUUXQPAZANUZCE-GHMZBOCLSA-N 1 0 315.442 4.183 50 0 DIAARO Cc1nccn1Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000095420122 563931430 /nfs/dbraw/zinc/93/14/30/563931430.db2.gz FJZFRHZXRYGPFX-OAHLLOKOSA-N 1 0 323.415 4.230 50 0 DIAARO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000095423055 563931436 /nfs/dbraw/zinc/93/14/36/563931436.db2.gz GKSBXOPABQKIBV-SJKOYZFVSA-N 1 0 323.358 4.268 50 0 DIAARO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000095423052 563931449 /nfs/dbraw/zinc/93/14/49/563931449.db2.gz GKSBXOPABQKIBV-SJCJKPOMSA-N 1 0 323.358 4.268 50 0 DIAARO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000095967677 563932819 /nfs/dbraw/zinc/93/28/19/563932819.db2.gz GOKCWFVCCZJLHQ-GJZGRUSLSA-N 1 0 306.409 4.222 50 0 DIAARO CC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 ZINC000095968445 563933204 /nfs/dbraw/zinc/93/32/04/563933204.db2.gz CXIGGVZEPOLYLM-BEFAXECRSA-N 1 0 306.413 4.069 50 0 DIAARO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000095968434 563933276 /nfs/dbraw/zinc/93/32/76/563933276.db2.gz HRAAAVFWZYJICW-WMLDXEAASA-N 1 0 312.413 4.045 50 0 DIAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 ZINC000095968444 563933301 /nfs/dbraw/zinc/93/33/01/563933301.db2.gz CXIGGVZEPOLYLM-HNAYVOBHSA-N 1 0 306.413 4.069 50 0 DIAARO C[C@H]1C[C@H](Nc2cccc(CCC(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000095980644 563933955 /nfs/dbraw/zinc/93/39/55/563933955.db2.gz PIYIBLCEFXOEIF-WFASDCNBSA-N 1 0 312.379 4.219 50 0 DIAARO CCc1c(C)[nH+]c2ccccc2c1NCCCn1ccnc1C ZINC000095993854 563934359 /nfs/dbraw/zinc/93/43/59/563934359.db2.gz RPUSOPFCVBYYJF-UHFFFAOYSA-N 1 0 308.429 4.113 50 0 DIAARO Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([C@@H](C)O)C3)c2)cc1 ZINC000096003586 563934628 /nfs/dbraw/zinc/93/46/28/563934628.db2.gz RYPDREVQBFRYQL-UTKZUKDTSA-N 1 0 309.453 4.255 50 0 DIAARO O[C@H](CCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000096027157 563935154 /nfs/dbraw/zinc/93/51/54/563935154.db2.gz ICDLQOJXUAQPBX-JOCHJYFZSA-N 1 0 323.480 4.455 50 0 DIAARO COCc1[nH]nc(C)c1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000096148705 563935881 /nfs/dbraw/zinc/93/58/81/563935881.db2.gz AQVBMFMSSNIPRM-HNNXBMFYSA-N 1 0 313.445 4.078 50 0 DIAARO CC1CC[NH+](CCCOc2cc(Cl)ccc2Cl)CC1 ZINC000003247080 563943115 /nfs/dbraw/zinc/94/31/15/563943115.db2.gz YSBJBCXGBCTICS-UHFFFAOYSA-N 1 0 302.245 4.494 50 0 DIAARO CCCc1cnc(NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)nc1 ZINC000670460170 563945450 /nfs/dbraw/zinc/94/54/50/563945450.db2.gz ZJACSRRGOPEJCG-SFHVURJKSA-N 1 0 316.493 4.028 50 0 DIAARO Cc1cccc(CC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000670462759 563945571 /nfs/dbraw/zinc/94/55/71/563945571.db2.gz LDGCOBSABPMBCM-MRXNPFEDSA-N 1 0 300.833 4.075 50 0 DIAARO Cc1ccccc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000008003573 563946175 /nfs/dbraw/zinc/94/61/75/563946175.db2.gz ZBUMOZIYFROUNE-IBGZPJMESA-N 1 0 314.404 4.060 50 0 DIAARO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1 ZINC000008128826 563946824 /nfs/dbraw/zinc/94/68/24/563946824.db2.gz ZVHQORPNPMFUTD-RDTXWAMCSA-N 1 0 314.404 4.202 50 0 DIAARO CC1=C(c2ccc(Cl)cc2)[N+](=O)[C@@](C)(c2ccccc2)N1O ZINC000038344751 563947685 /nfs/dbraw/zinc/94/76/85/563947685.db2.gz FLMBULUSTQVAGO-KRWDZBQOSA-N 1 0 315.780 4.385 50 0 DIAARO COCc1cccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)c1 ZINC000066972901 563948317 /nfs/dbraw/zinc/94/83/17/563948317.db2.gz SJMVZDOUHLZEGJ-UHFFFAOYSA-N 1 0 324.449 4.246 50 0 DIAARO CC[NH+](CC)CC/C=C\C(O)(c1ccccc1)c1ccccc1 ZINC000067340233 563949024 /nfs/dbraw/zinc/94/90/24/563949024.db2.gz MQYZDLDTVOUVQP-BOPFTXTBSA-N 1 0 309.453 4.211 50 0 DIAARO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000008717154 563949934 /nfs/dbraw/zinc/94/99/34/563949934.db2.gz DJJFNASQPGYBEM-LLVKDONJSA-N 1 0 318.848 4.443 50 0 DIAARO CCCC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000008951822 563951750 /nfs/dbraw/zinc/95/17/50/563951750.db2.gz QTHAUWJPWFOHHC-SAKMYQHLSA-N 1 0 314.473 4.355 50 0 DIAARO CC1(C)C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)CCO1 ZINC000160434521 1037003532 /nfs/dbraw/zinc/00/35/32/1037003532.db2.gz UFBRTEUXCXIFHA-INIZCTEOSA-N 1 0 303.446 4.055 50 0 DIAARO CC(=O)Nc1cccc2c1CC[N@@H+](CC[C@@H](C)c1ccccc1)C2 ZINC000193787175 1037221741 /nfs/dbraw/zinc/22/17/41/1037221741.db2.gz QPIZSFRBEKEYDV-MRXNPFEDSA-N 1 0 322.452 4.197 50 0 DIAARO C[N@H+](C[C@H](O)c1ccccc1)C1CCC(c2ccccc2)CC1 ZINC000002498179 1037583411 /nfs/dbraw/zinc/58/34/11/1037583411.db2.gz JNDHWHCBYVIBNC-MNLRITNHSA-N 1 0 309.453 4.378 50 0 DIAARO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Oc3cnccn3)cc2)c(C)o1 ZINC000174414201 1038933721 /nfs/dbraw/zinc/93/37/21/1038933721.db2.gz CKDIUHXHZXEZRL-CQSZACIVSA-N 1 0 323.396 4.330 50 0 DIAARO O=C(c1ccccc1)c1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000003002009 1039061751 /nfs/dbraw/zinc/06/17/51/1039061751.db2.gz YISRXZGAOGLOQO-UHFFFAOYSA-N 1 0 323.436 4.172 50 0 DIAARO CC[C@H](C)[NH2+]CCCOc1ccc(Br)cc1Cl ZINC000002822544 1040115404 /nfs/dbraw/zinc/11/54/04/1040115404.db2.gz WSVRYVUHJOSJKB-JTQLQIEISA-N 1 0 320.658 4.260 50 0 DIAARO C[C@H](CC[N@H+](CCN(C)C)Cc1ccccc1)c1ccccc1 ZINC000023282195 1040550842 /nfs/dbraw/zinc/55/08/42/1040550842.db2.gz KQYBVUIVHKKTTK-LJQANCHMSA-N 1 0 310.485 4.244 50 0 DIAARO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H]1C ZINC000004022885 1041559957 /nfs/dbraw/zinc/55/99/57/1041559957.db2.gz NOOVCEBGGLCWNR-DBXWQHBBSA-N 1 0 314.517 4.108 50 0 DIAARO C[C@@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H]1C ZINC000004022883 1041560918 /nfs/dbraw/zinc/56/09/18/1041560918.db2.gz NOOVCEBGGLCWNR-OPYAIIAOSA-N 1 0 314.517 4.108 50 0 DIAARO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1Cl ZINC000046037256 1041960651 /nfs/dbraw/zinc/96/06/51/1041960651.db2.gz OZDUOFPLUCZIBS-MSOLQXFVSA-N 1 0 301.817 4.211 50 0 DIAARO O[C@@H](C[N@H+](Cc1cccs1)C1CC1)c1ccccc1Cl ZINC000046054388 1041960845 /nfs/dbraw/zinc/96/08/45/1041960845.db2.gz GIEUBQDYIINCTP-INIZCTEOSA-N 1 0 307.846 4.100 50 0 DIAARO CCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C)c1ccccc1 ZINC000048353972 1041991729 /nfs/dbraw/zinc/99/17/29/1041991729.db2.gz NSYFHNRPUKBONW-HXUWFJFHSA-N 1 0 322.452 4.185 50 0 DIAARO O[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004977898 1042119783 /nfs/dbraw/zinc/11/97/83/1042119783.db2.gz DLJIWGXIMPFJLY-MRXNPFEDSA-N 1 0 317.816 4.089 50 0 DIAARO Cc1cc2[nH]c(C[NH+]3CCC4(CCOCC4)CC3)cc2c(C)c1 ZINC000585081479 1042200324 /nfs/dbraw/zinc/20/03/24/1042200324.db2.gz VNQCOPZQZZTPAG-UHFFFAOYSA-N 1 0 312.457 4.177 50 0 DIAARO COc1cccc(CC[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000023634420 1042238622 /nfs/dbraw/zinc/23/86/22/1042238622.db2.gz RZWTWRFUFSVJEW-UHFFFAOYSA-N 1 0 309.331 4.046 50 0 DIAARO CCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1 ZINC000001185730 1042533651 /nfs/dbraw/zinc/53/36/51/1042533651.db2.gz JKAQWGATUYMTAA-UHFFFAOYSA-N 1 0 306.365 4.464 50 0 DIAARO C[C@@H]1C[N@@H+](CCCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000013153554 1043801001 /nfs/dbraw/zinc/80/10/01/1043801001.db2.gz XTAGUVIWDFNXPH-OKILXGFUSA-N 1 0 313.894 4.322 50 0 DIAARO CC(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000019731746 1045579457 /nfs/dbraw/zinc/57/94/57/1045579457.db2.gz CJTFJCDGPSXKKJ-ZDUSSCGKSA-N 1 0 319.399 4.190 50 0 DIAARO CC(=[NH+][N-]c1ccnc2cc(Cl)ccc12)c1cccc(N)c1 ZINC000254345093 1047193291 /nfs/dbraw/zinc/19/32/91/1047193291.db2.gz HFILJPPZPTYTJP-UHFFFAOYSA-N 1 0 310.788 4.307 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(Cl)cc1Cl ZINC000000242788 1047312948 /nfs/dbraw/zinc/31/29/48/1047312948.db2.gz MFCPDRXLSFEJIH-CWRNSKLLSA-N 1 0 314.256 4.291 50 0 DIAARO [NH2+]=c1c2c(n(Cc3cccc(Cl)c3)c3ccccc13)CCC2 ZINC000000977955 1047387135 /nfs/dbraw/zinc/38/71/35/1047387135.db2.gz NWXMYNFMLGUZIH-UHFFFAOYSA-N 1 0 308.812 4.311 50 0 DIAARO Cc1ccc(C)c(CC(=O)Nc2ccccc2C[NH+]2CCCC2)c1 ZINC000076131858 1047398102 /nfs/dbraw/zinc/39/81/02/1047398102.db2.gz KOHKQWUXFLZDKC-UHFFFAOYSA-N 1 0 322.452 4.080 50 0 DIAARO CSc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000000758117 1049105407 /nfs/dbraw/zinc/10/54/07/1049105407.db2.gz HWZSXZUHNFJJBF-UHFFFAOYSA-N 1 0 312.482 4.485 50 0 DIAARO C[N@H+](CCC[C@@H]1CCCO1)Cc1nc(-c2ccccc2)cs1 ZINC000823719824 1050155295 /nfs/dbraw/zinc/15/52/95/1050155295.db2.gz JZEXEJKHQTZYCC-MRXNPFEDSA-N 1 0 316.470 4.201 50 0 DIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1sccc1Cl ZINC000828234792 1050485355 /nfs/dbraw/zinc/48/53/55/1050485355.db2.gz OPYUDMFLDWLQOQ-UHFFFAOYSA-N 1 0 320.845 4.250 50 0 DIAARO Cc1cnc(C2C[NH+](CC3CCCCC3)C2)n1Cc1ccccc1 ZINC000575553368 1050650057 /nfs/dbraw/zinc/65/00/57/1050650057.db2.gz YOKQLHSBURRLSY-UHFFFAOYSA-N 1 0 323.484 4.219 50 0 DIAARO FC(F)COc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000192980510 1051014151 /nfs/dbraw/zinc/01/41/51/1051014151.db2.gz XZOJXMCYDIQQKM-HNNXBMFYSA-N 1 0 307.340 4.091 50 0 DIAARO C[N@@H+]1CCC[C@@H](NC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000952881212 1051120769 /nfs/dbraw/zinc/12/07/69/1051120769.db2.gz GJOYKHPLHIXMPD-QGZVFWFLSA-N 1 0 323.440 4.019 50 0 DIAARO Cc1cc2[nH]c(C[NH2+]C[C@H]3COc4ccccc43)cc2c(C)c1 ZINC000952845902 1051122014 /nfs/dbraw/zinc/12/20/14/1051122014.db2.gz JFSOJDCRIYKUSE-HNNXBMFYSA-N 1 0 306.409 4.051 50 0 DIAARO CC(=O)c1cc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)n(C)c1 ZINC000952973105 1051123435 /nfs/dbraw/zinc/12/34/35/1051123435.db2.gz RJGRLVOSILQLSW-HNNXBMFYSA-N 1 0 312.457 4.074 50 0 DIAARO Cc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000952973732 1051123809 /nfs/dbraw/zinc/12/38/09/1051123809.db2.gz VINZHNSPDCSNPH-UHFFFAOYSA-N 1 0 322.452 4.162 50 0 DIAARO Cc1ccc(N[C@@H]2CCC[N@@H+](C3CCSCC3)C2)cc1C ZINC000011816602 1056710410 /nfs/dbraw/zinc/71/04/10/1056710410.db2.gz UFTULKWOZAZTKB-QGZVFWFLSA-N 1 0 304.503 4.075 50 0 DIAARO C[C@H]1C[N@H+](Cc2cccc3ncccc23)Cc2ccccc2O1 ZINC000012165915 1056990185 /nfs/dbraw/zinc/99/01/85/1056990185.db2.gz VLGOHBXCVHIQNX-HNNXBMFYSA-N 1 0 304.393 4.018 50 0 DIAARO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012315881 1057021423 /nfs/dbraw/zinc/02/14/23/1057021423.db2.gz NQZBRPVJMOQVCT-OAHLLOKOSA-N 1 0 319.452 4.163 50 0 DIAARO c1ccc2c(c1)oc1c2cccc1CN1CC([NH+]2CCCCC2)C1 ZINC000820414252 1057762126 /nfs/dbraw/zinc/76/21/26/1057762126.db2.gz ZUFNCMCQWAASEZ-UHFFFAOYSA-N 1 0 320.436 4.256 50 0 DIAARO CCOc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)ccc1OC ZINC000823364528 1057827549 /nfs/dbraw/zinc/82/75/49/1057827549.db2.gz JCTVLHBCLHHSOQ-DLBZAZTESA-N 1 0 303.446 4.249 50 0 DIAARO C[N@H+](CC[C@H]1CCCCO1)Cc1cc(C(F)(F)F)ccc1F ZINC001529186306 1058632249 /nfs/dbraw/zinc/63/22/49/1058632249.db2.gz BMOWLNCQKAUVBK-CQSZACIVSA-N 1 0 319.342 4.236 50 0 DIAARO CCCO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001506416779 1063506864 /nfs/dbraw/zinc/50/68/64/1063506864.db2.gz LXAAUMLOYTYFJT-LJQANCHMSA-N 1 0 310.441 4.140 50 0 DIAARO Cc1ccc(N2CCC([NH2+][C@H](C)c3cc(C)ccn3)CC2)cc1 ZINC001506415332 1063507677 /nfs/dbraw/zinc/50/76/77/1063507677.db2.gz WQHJPJBPSJYOBW-QGZVFWFLSA-N 1 0 309.457 4.018 50 0 DIAARO Clc1ccccc1C1([NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506398554 1063507845 /nfs/dbraw/zinc/50/78/45/1063507845.db2.gz DYEDGGCHZWCFQU-OAHLLOKOSA-N 1 0 312.844 4.198 50 0 DIAARO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)[C@H]1CCN(c2ccccc2)C1 ZINC001506417804 1063509617 /nfs/dbraw/zinc/50/96/17/1063509617.db2.gz BSZJPCUAQDLSIX-IBGZPJMESA-N 1 0 323.415 4.018 50 0 DIAARO Cc1cccc(N2CCC([NH2+]CCCc3ccco3)CC2)c1C ZINC001506418025 1063509826 /nfs/dbraw/zinc/50/98/26/1063509826.db2.gz NFNSTMGRYWLKPY-UHFFFAOYSA-N 1 0 312.457 4.088 50 0 DIAARO C[C@H]([NH2+]C1CSCCSC1)c1ccccc1C(F)(F)F ZINC001506424595 1063510477 /nfs/dbraw/zinc/51/04/77/1063510477.db2.gz BBQSESATOBOADV-JTQLQIEISA-N 1 0 321.433 4.205 50 0 DIAARO C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000095520086 185377202 /nfs/dbraw/zinc/37/72/02/185377202.db2.gz URHKIYYKMDEBJH-KRWDZBQOSA-N 1 0 314.816 4.040 50 0 DIAARO C[NH+](C)Cc1cccc(CNc2ccc3ccc(F)cc3n2)c1 ZINC000095403067 185354984 /nfs/dbraw/zinc/35/49/84/185354984.db2.gz MEIPRCRUQJRNRT-UHFFFAOYSA-N 1 0 309.388 4.048 50 0 DIAARO CCOCc1cc(C[N@H+]([C@H](C)C(C)C)C2CC2)ccc1OC ZINC000095453802 185369400 /nfs/dbraw/zinc/36/94/00/185369400.db2.gz SNSVPBUEADQCER-OAHLLOKOSA-N 1 0 305.462 4.241 50 0 DIAARO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2ccccc2)cc1 ZINC000095462536 185371321 /nfs/dbraw/zinc/37/13/21/185371321.db2.gz UJEPOJWZZZCMQY-LJQANCHMSA-N 1 0 311.425 4.168 50 0 DIAARO CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccncc1 ZINC000097017080 185397620 /nfs/dbraw/zinc/39/76/20/185397620.db2.gz FMCKBCIIHZGDEY-DNVCBOLYSA-N 1 0 323.440 4.010 50 0 DIAARO Cc1nc(C)c(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)s1 ZINC000097021699 185398511 /nfs/dbraw/zinc/39/85/11/185398511.db2.gz KQJFDPLFWSRQOP-UHFFFAOYSA-N 1 0 318.339 4.208 50 0 DIAARO Cc1nc(-c2cccc(N[C@@H](C)C3CC[NH+](C)CC3)c2)oc1C ZINC000097038180 185401396 /nfs/dbraw/zinc/40/13/96/185401396.db2.gz RXEOJXWARMUZIO-AWEZNQCLSA-N 1 0 313.445 4.101 50 0 DIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000072115906 191037535 /nfs/dbraw/zinc/03/75/35/191037535.db2.gz QBEPVZBWCMZTGM-MRXNPFEDSA-N 1 0 323.868 4.116 50 0 DIAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000072170447 191068174 /nfs/dbraw/zinc/06/81/74/191068174.db2.gz LZQJVRJEMZMFAA-IBGZPJMESA-N 1 0 309.388 4.348 50 0 DIAARO c1cc2cc(C[NH+]3CCC(OCc4cccnc4)CC3)ccc2o1 ZINC000072174083 191069436 /nfs/dbraw/zinc/06/94/36/191069436.db2.gz ARCUJLVRYFJHIA-UHFFFAOYSA-N 1 0 322.408 4.009 50 0 DIAARO C[NH+](C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000000137 180667666 /nfs/dbraw/zinc/66/76/66/180667666.db2.gz KKHPNPMTPORSQE-GOSISDBHSA-N 1 0 303.833 4.182 50 0 in-man DIAARO CCOc1ccc(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000063370 180681500 /nfs/dbraw/zinc/68/15/00/180681500.db2.gz DQUJPBBWZKHBFK-HXUWFJFHSA-N 1 0 323.436 4.148 50 0 DIAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000072458432 191173522 /nfs/dbraw/zinc/17/35/22/191173522.db2.gz OXXPLWMRLFTGDL-GOSISDBHSA-N 1 0 323.396 4.015 50 0 DIAARO Cc1ccccc1[C@H](Cn1ccnc1-c1ccsc1)[NH+](C)C ZINC000072475466 191176584 /nfs/dbraw/zinc/17/65/84/191176584.db2.gz QUXJEIYFBYFRHZ-KRWDZBQOSA-N 1 0 311.454 4.223 50 0 DIAARO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000072474847 191176720 /nfs/dbraw/zinc/17/67/20/191176720.db2.gz DMSXHPUENZVCFT-UHFFFAOYSA-N 1 0 323.415 4.390 50 0 DIAARO COc1ccc(Br)cc1C[NH2+]C1CCCCCC1 ZINC000000293230 180750604 /nfs/dbraw/zinc/75/06/04/180750604.db2.gz JCVNKZFGXXFSNK-UHFFFAOYSA-N 1 0 312.251 4.270 50 0 DIAARO FC(F)(F)c1cccc(OCCCC[NH2+]C2CCCC2)c1 ZINC000002844211 180962986 /nfs/dbraw/zinc/96/29/86/180962986.db2.gz YFJGYOGZXJUCCI-UHFFFAOYSA-N 1 0 301.352 4.397 50 0 DIAARO CCCC[N@H+](CC)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000003381055 181013688 /nfs/dbraw/zinc/01/36/88/181013688.db2.gz LUGKPWICKMNDAN-SFHVURJKSA-N 1 0 321.505 4.154 50 0 DIAARO Cc1ccc(NC(=O)[C@H]([NH2+]C2CCCC2)c2ccccc2)cc1 ZINC000003338292 181008330 /nfs/dbraw/zinc/00/83/30/181008330.db2.gz QMDBIVYFVYHCQJ-LJQANCHMSA-N 1 0 308.425 4.207 50 0 DIAARO Cc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003347348 181009960 /nfs/dbraw/zinc/00/99/60/181009960.db2.gz YJHJDBRUZNLUAB-INIZCTEOSA-N 1 0 318.420 4.265 50 0 DIAARO O=C(C[NH+]1CCCCCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000003456267 181022665 /nfs/dbraw/zinc/02/26/65/181022665.db2.gz KZEBJTMQOJMCMY-UHFFFAOYSA-N 1 0 315.244 4.198 50 0 DIAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Cl ZINC000003904946 181055027 /nfs/dbraw/zinc/05/50/27/181055027.db2.gz UZHMQBMKYWOFAJ-MELADBBJSA-N 1 0 309.837 4.148 50 0 DIAARO COc1cccc(OCCCCCC[NH+]2CCC(C)CC2)c1 ZINC000003906286 181055748 /nfs/dbraw/zinc/05/57/48/181055748.db2.gz UIHHRYGOOHXZJD-UHFFFAOYSA-N 1 0 305.462 4.366 50 0 DIAARO CCCCCO[P@](C)(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004026827 181063954 /nfs/dbraw/zinc/06/39/54/181063954.db2.gz OBQHAFZZMZRBHR-MRUHUIDDSA-N 1 0 317.410 4.297 50 0 biogenic DIAARO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+]2C2CCCCC2)c(C)c1 ZINC000004012129 181062032 /nfs/dbraw/zinc/06/20/32/181062032.db2.gz AHWVRPGVKAZVCR-GOSISDBHSA-N 1 0 314.473 4.347 50 0 DIAARO CCc1nc(C)cc(C[N@H+](C)C23CC4CC(CC(C4)C2)C3)c1O ZINC000004007945 181062358 /nfs/dbraw/zinc/06/23/58/181062358.db2.gz GOLYVFKPIKGLTH-UHFFFAOYSA-N 1 0 314.473 4.059 50 0 DIAARO Cc1ccc([C@@](O)(CC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004141801 181078739 /nfs/dbraw/zinc/07/87/39/181078739.db2.gz NFQNJBIQNAMAAK-OAQYLSRUSA-N 1 0 309.453 4.107 50 0 DIAARO C[NH+](C)CCn1c(-c2ccccc2)cc(=S)c2c1CCCC2 ZINC000004276305 181091562 /nfs/dbraw/zinc/09/15/62/181091562.db2.gz RUEJVRZMMOBQJX-UHFFFAOYSA-N 1 0 312.482 4.325 50 0 DIAARO Fc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315271 181096559 /nfs/dbraw/zinc/09/65/59/181096559.db2.gz CQOUCNAZYFRFDS-UHFFFAOYSA-N 1 0 309.388 4.082 50 0 DIAARO CC(C)(C)c1ccc(CN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000004607734 181129483 /nfs/dbraw/zinc/12/94/83/181129483.db2.gz JHMDZWAJFVAQEN-UHFFFAOYSA-N 1 0 305.425 4.180 50 0 DIAARO COc1cc(C[NH2+]CC(C)C)ccc1OCCc1ccccc1 ZINC000004657681 181132498 /nfs/dbraw/zinc/13/24/98/181132498.db2.gz WSRLUIPSVUMHCH-UHFFFAOYSA-N 1 0 313.441 4.062 50 0 DIAARO Clc1ccccc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000004703434 181139795 /nfs/dbraw/zinc/13/97/95/181139795.db2.gz RWTGUBBBINUODQ-UHFFFAOYSA-N 1 0 306.881 4.180 50 0 DIAARO CCc1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)cc1 ZINC000004678470 181135511 /nfs/dbraw/zinc/13/55/11/181135511.db2.gz YGEMQOZGVWSQHW-UHFFFAOYSA-N 1 0 309.388 4.401 50 0 DIAARO CCCOc1ccc([C@](O)(CCC)CC[NH+]2CCCCC2)cc1 ZINC000004716297 181141770 /nfs/dbraw/zinc/14/17/70/181141770.db2.gz SROKXKMTKYUSNU-FQEVSTJZSA-N 1 0 319.489 4.339 50 0 DIAARO CCc1ccc(C[NH+]2CCC(Nc3ccccc3F)CC2)cc1 ZINC000004817065 181156011 /nfs/dbraw/zinc/15/60/11/181156011.db2.gz TTXXYGHZQDSFIE-UHFFFAOYSA-N 1 0 312.432 4.465 50 0 DIAARO COc1cc(Cl)c(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000004857539 181164335 /nfs/dbraw/zinc/16/43/35/181164335.db2.gz ABCLYPUTFNBOQR-GFCCVEGCSA-N 1 0 305.805 4.208 50 0 DIAARO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2)c(OC)c1 ZINC000004891824 181168713 /nfs/dbraw/zinc/16/87/13/181168713.db2.gz JMWXUYGKDQRTIM-UHFFFAOYSA-N 1 0 307.393 4.147 50 0 DIAARO C[C@H]([NH2+]C1(c2ccccc2)CCCC1)[C@@H]1COc2ccccc2O1 ZINC000005254748 181222310 /nfs/dbraw/zinc/22/23/10/181222310.db2.gz ZNSMSWDLNQNJIQ-JXFKEZNVSA-N 1 0 323.436 4.274 50 0 DIAARO C[C@H](Cc1nc2ccccc2s1)[NH2+]CCc1ccsc1 ZINC000177727890 198767341 /nfs/dbraw/zinc/76/73/41/198767341.db2.gz MPIWJMLAENWVCF-GFCCVEGCSA-N 1 0 302.468 4.121 50 0 DIAARO CCOC(=O)c1ccc(Sc2ccccc2C[NH+](C)C)cc1 ZINC000005953249 181300137 /nfs/dbraw/zinc/30/01/37/181300137.db2.gz UDRYFPMHZWFPOS-UHFFFAOYSA-N 1 0 315.438 4.076 50 0 DIAARO Cc1ccc2[nH+]c(C)cc(Nc3ccc4c(c3)OCCO4)c2c1 ZINC000006267691 181324459 /nfs/dbraw/zinc/32/44/59/181324459.db2.gz NOGWKIKUGIOGRI-UHFFFAOYSA-N 1 0 306.365 4.366 50 0 DIAARO C[C@@H](C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000194525285 201244601 /nfs/dbraw/zinc/24/46/01/201244601.db2.gz GQRGWLSLRWXXHQ-ZWKOTPCHSA-N 1 0 323.484 4.000 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@H](C1CCCCC1)[NH2+]CC2 ZINC000006595646 181359503 /nfs/dbraw/zinc/35/95/03/181359503.db2.gz XOUHJVHSCZPGNA-IBGZPJMESA-N 1 0 303.446 4.251 50 0 DIAARO c1cncc([C@H]2CCCC[N@H+]2CCOc2ccc3c(c2)CCC3)c1 ZINC000006624607 181362316 /nfs/dbraw/zinc/36/23/16/181362316.db2.gz ZTWYFGQMBYHVSK-OAQYLSRUSA-N 1 0 322.452 4.176 50 0 biogenic DIAARO C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000006667609 181367832 /nfs/dbraw/zinc/36/78/32/181367832.db2.gz SKMLRJBUSBETJM-CQSZACIVSA-N 1 0 303.833 4.199 50 0 DIAARO Fc1ccccc1COc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000006701484 181373414 /nfs/dbraw/zinc/37/34/14/181373414.db2.gz JSGGVASCXUOQDB-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO CC1(C)C[C@](CC[NH2+]Cc2cccnc2)(c2ccccc2)CCO1 ZINC000006719095 181376747 /nfs/dbraw/zinc/37/67/47/181376747.db2.gz KKKGDIUSZMZXSN-OAQYLSRUSA-N 1 0 324.468 4.088 50 0 DIAARO Fc1ccc(COc2cccc(C[NH2+]Cc3ccccn3)c2)cc1 ZINC000006703534 181374494 /nfs/dbraw/zinc/37/44/94/181374494.db2.gz SWXRVTRJXINRCY-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006785494 181388505 /nfs/dbraw/zinc/38/85/05/181388505.db2.gz CFOAZCLJQLEJMF-KRWDZBQOSA-N 1 0 324.468 4.483 50 0 DIAARO C[C@@H]([NH2+]C1CCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006837441 181397394 /nfs/dbraw/zinc/39/73/94/181397394.db2.gz BJFCKKMOTKTDQM-OAHLLOKOSA-N 1 0 324.424 4.338 50 0 DIAARO c1c2ccccc2oc1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000215063698 201449810 /nfs/dbraw/zinc/44/98/10/201449810.db2.gz FBFRJEIDFJXBFE-UHFFFAOYSA-N 1 0 322.408 4.009 50 0 DIAARO COc1ccccc1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000095960355 193460397 /nfs/dbraw/zinc/46/03/97/193460397.db2.gz AQMVZLGWTCKPPA-UHFFFAOYSA-N 1 0 319.364 4.086 50 0 DIAARO CCC[C@]1(CC[NH2+][C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 ZINC000096115342 193544702 /nfs/dbraw/zinc/54/47/02/193544702.db2.gz UWNBQNKLNFHFPE-APWZRJJASA-N 1 0 311.510 4.299 50 0 biogenic DIAARO CC(C)=CC[NH+]1CCC(CCC(=O)Nc2cccc(C)c2)CC1 ZINC000012387690 181755234 /nfs/dbraw/zinc/75/52/34/181755234.db2.gz GCSKZMUGANQUDY-UHFFFAOYSA-N 1 0 314.473 4.392 50 0 DIAARO Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCS3)cc1 ZINC000015973868 182027288 /nfs/dbraw/zinc/02/72/88/182027288.db2.gz BMLQCIBCOGEKNQ-UHFFFAOYSA-N 1 0 313.833 4.191 50 0 DIAARO Clc1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000016046984 182030893 /nfs/dbraw/zinc/03/08/93/182030893.db2.gz ORDWTQMJVXHERZ-ZIAGYGMSSA-N 1 0 321.848 4.219 50 0 DIAARO Cc1ccc(C(C)C)c(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247555 182038253 /nfs/dbraw/zinc/03/82/53/182038253.db2.gz VCQXBKQYABSASJ-HDICACEKSA-N 1 0 319.489 4.387 50 0 DIAARO CCN(CC(=O)Nc1cccc2ccccc21)Cc1ccccc1 ZINC000016483190 182046864 /nfs/dbraw/zinc/04/68/64/182046864.db2.gz PSFQSNWOMRWKRP-UHFFFAOYSA-N 1 0 318.420 4.300 50 0 DIAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000016606459 182052924 /nfs/dbraw/zinc/05/29/24/182052924.db2.gz YWTBLAWAGCUSEC-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016607021 182052989 /nfs/dbraw/zinc/05/29/89/182052989.db2.gz JDPIMTGJCZOKSZ-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000016606298 182053267 /nfs/dbraw/zinc/05/32/67/182053267.db2.gz CFHZCXRBUGWUGU-UHFFFAOYSA-N 1 0 322.452 4.154 50 0 DIAARO C[C@H]1CCC[C@@H](N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)C1 ZINC000019156869 182106171 /nfs/dbraw/zinc/10/61/71/182106171.db2.gz IJNUPCMESUBVMN-XDSQKNPHSA-N 1 0 316.533 4.007 50 0 DIAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000019691219 182137546 /nfs/dbraw/zinc/13/75/46/182137546.db2.gz LEMNAJQPLKKRHZ-HXUWFJFHSA-N 1 0 321.420 4.062 50 0 DIAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000019788256 182148445 /nfs/dbraw/zinc/14/84/45/182148445.db2.gz CCQYDTDTHNYNAO-YJBOKZPZSA-N 1 0 306.881 4.036 50 0 DIAARO Clc1ccccc1CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019788219 182148135 /nfs/dbraw/zinc/14/81/35/182148135.db2.gz AEEXLWFEWQZBPW-UHFFFAOYSA-N 1 0 306.881 4.180 50 0 DIAARO CSc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019842562 182155456 /nfs/dbraw/zinc/15/54/56/182155456.db2.gz ZWAUGLACBVVYJK-AEFFLSMTSA-N 1 0 318.530 4.105 50 0 DIAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccoc3)C2)c1 ZINC000019837925 182155663 /nfs/dbraw/zinc/15/56/63/182155663.db2.gz YCKBYEMHYPKQBC-SFHVURJKSA-N 1 0 321.424 4.358 50 0 DIAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019792507 182150393 /nfs/dbraw/zinc/15/03/93/182150393.db2.gz HRXCKJQKTGGVOT-MRXNPFEDSA-N 1 0 315.436 4.127 50 0 DIAARO Cc1ccccc1CC[NH2+]Cc1ccc(Br)cc1 ZINC000019815246 182153588 /nfs/dbraw/zinc/15/35/88/182153588.db2.gz PPYKOJSWKQUSKW-UHFFFAOYSA-N 1 0 304.231 4.090 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000019872542 182159096 /nfs/dbraw/zinc/15/90/96/182159096.db2.gz BIUVLLRAYUPCMA-UHFFFAOYSA-N 1 0 307.393 4.288 50 0 biogenic DIAARO CC(C)c1ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020167080 182194194 /nfs/dbraw/zinc/19/41/94/182194194.db2.gz LGVLGDFURSCELP-IRXDYDNUSA-N 1 0 305.462 4.078 50 0 DIAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000020204864 182197782 /nfs/dbraw/zinc/19/77/82/182197782.db2.gz BPJYMUCQDIIJDJ-AWEZNQCLSA-N 1 0 303.475 4.049 50 0 DIAARO Cc1ccc(Cl)c(OCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000020322424 182206687 /nfs/dbraw/zinc/20/66/87/182206687.db2.gz CFVDXHSQQLTGMR-UHFFFAOYSA-N 1 0 301.817 4.086 50 0 DIAARO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000021810298 182292131 /nfs/dbraw/zinc/29/21/31/182292131.db2.gz KGUKLRRCJRUYQS-UHFFFAOYSA-N 1 0 310.224 4.334 50 0 DIAARO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccccc1C)O[C@H](C)C2 ZINC000022777478 182334165 /nfs/dbraw/zinc/33/41/65/182334165.db2.gz GAOSVTVSRXCOEZ-CABCVRRESA-N 1 0 311.425 4.178 50 0 DIAARO CCCC[NH+]1CCC(Nc2ncnc3c4ccccc4oc32)CC1 ZINC000032937608 182683310 /nfs/dbraw/zinc/68/33/10/182683310.db2.gz IXJBTTVXDJWROW-UHFFFAOYSA-N 1 0 324.428 4.052 50 0 DIAARO CC1CCC([N@H+](C)CC(=O)Nc2cccc3ccccc32)CC1 ZINC000039978295 183026648 /nfs/dbraw/zinc/02/66/48/183026648.db2.gz MSBSSSGEUXEOJS-UHFFFAOYSA-N 1 0 310.441 4.289 50 0 DIAARO Clc1cc(C[NH2+]CCCCc2ccccc2)cc2c1OCO2 ZINC000040019959 183028354 /nfs/dbraw/zinc/02/83/54/183028354.db2.gz QIGCHAATGKOPFM-UHFFFAOYSA-N 1 0 317.816 4.181 50 0 DIAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000039395943 183018637 /nfs/dbraw/zinc/01/86/37/183018637.db2.gz ICKPJOFWQXLABK-QGZVFWFLSA-N 1 0 305.425 4.251 50 0 DIAARO Fc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769799 183021991 /nfs/dbraw/zinc/02/19/91/183021991.db2.gz DHMMQFBVMCMNCO-UXHICEINSA-N 1 0 316.464 4.055 50 0 DIAARO COC(=O)c1oc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1C ZINC000040153677 183040755 /nfs/dbraw/zinc/04/07/55/183040755.db2.gz AONSGHUSWDDFPH-QGZVFWFLSA-N 1 0 313.397 4.020 50 0 DIAARO CC(C)c1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000042933619 183320036 /nfs/dbraw/zinc/32/00/36/183320036.db2.gz QOQPRSVZNPMOGQ-OAHLLOKOSA-N 1 0 320.440 4.446 50 0 DIAARO CC[C@@H](C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774557 183307478 /nfs/dbraw/zinc/30/74/78/183307478.db2.gz QCMRKGDUFPJXTK-DGCLKSJQSA-N 1 0 312.251 4.093 50 0 DIAARO Brc1ccc(SCC[C@H]2CCCC[NH2+]2)cc1 ZINC000043499555 183367380 /nfs/dbraw/zinc/36/73/80/183367380.db2.gz YJEGDPYEKJQVJQ-GFCCVEGCSA-N 1 0 300.265 4.073 50 0 DIAARO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1O ZINC000048301162 183640549 /nfs/dbraw/zinc/64/05/49/183640549.db2.gz JEHLEMJDVKCXLH-AWEZNQCLSA-N 1 0 311.425 4.130 50 0 DIAARO Clc1c2ccccc2sc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000058328258 184105880 /nfs/dbraw/zinc/10/58/80/184105880.db2.gz OWRZBSFQPPZYLN-ZDUSSCGKSA-N 1 0 320.889 4.225 50 0 DIAARO COc1c(C[NH2+][C@@H](C)c2cc(C)sc2C)c(C(C)C)nn1C ZINC000058404215 184113632 /nfs/dbraw/zinc/11/36/32/184113632.db2.gz AUVXCUSSIBIZGQ-LBPRGKRZSA-N 1 0 321.490 4.081 50 0 DIAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000058418379 184115159 /nfs/dbraw/zinc/11/51/59/184115159.db2.gz HQDFYUAWQCEFAV-HXUWFJFHSA-N 1 0 320.436 4.071 50 0 DIAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000058418380 184115484 /nfs/dbraw/zinc/11/54/84/184115484.db2.gz HQDFYUAWQCEFAV-FQEVSTJZSA-N 1 0 320.436 4.071 50 0 DIAARO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CC2CCCCC2)o1 ZINC000058430114 184116983 /nfs/dbraw/zinc/11/69/83/184116983.db2.gz WSDNHGMORNAWPA-GOSISDBHSA-N 1 0 311.429 4.058 50 0 DIAARO COc1ccc([C@H](C)[N@H+](C)CCO[C@H]2CCCC[C@@H]2C)cc1 ZINC000058932663 184132672 /nfs/dbraw/zinc/13/26/72/184132672.db2.gz QTNWFIKCEJOOLS-BXWFABGCSA-N 1 0 305.462 4.283 50 0 DIAARO c1nc2c([nH]1)[C@@H](c1cccc3c4ccccc4sc31)[NH2+]CC2 ZINC000065385949 184333142 /nfs/dbraw/zinc/33/31/42/184333142.db2.gz KKXLAWOBUOQBQR-MRXNPFEDSA-N 1 0 305.406 4.013 50 0 DIAARO COc1cccc(Cl)c1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC000065493889 184354200 /nfs/dbraw/zinc/35/42/00/184354200.db2.gz OHACLOKZRRBLRE-UHFFFAOYSA-N 1 0 316.832 4.397 50 0 DIAARO CC[N@@H+]1CCC[C@H](c2nccn2-c2cccc(Cl)c2C)C1 ZINC000065421356 184342126 /nfs/dbraw/zinc/34/21/26/184342126.db2.gz HVSWLGGVRSZFTE-AWEZNQCLSA-N 1 0 303.837 4.033 50 0 DIAARO COc1ccc(C[NH2+]C2C[C@H](C(C)C)O[C@@H](C(C)C)C2)cc1 ZINC000524734242 257213527 /nfs/dbraw/zinc/21/35/27/257213527.db2.gz MGRPDMITEUROCW-RTBURBONSA-N 1 0 305.462 4.013 50 0 DIAARO C[C@H](c1ccc(-c2ccc(C(N)=O)s2)cc1)[NH+]1CCCCC1 ZINC000426722688 257243249 /nfs/dbraw/zinc/24/32/49/257243249.db2.gz SYJRANQKYBUFBE-CYBMUJFWSA-N 1 0 314.454 4.061 50 0 DIAARO CCOc1ccc(Cl)cc1-c1ccc(C[NH+]2CCCC2)cn1 ZINC000426668503 257244123 /nfs/dbraw/zinc/24/41/23/257244123.db2.gz WOEJIADERAZDBR-UHFFFAOYSA-N 1 0 316.832 4.397 50 0 DIAARO Cc1nc2c(C)cc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)cn2n1 ZINC000426690725 257244724 /nfs/dbraw/zinc/24/47/24/257244724.db2.gz RQZKVHYUZKJZOP-HNNXBMFYSA-N 1 0 320.440 4.170 50 0 DIAARO C[C@H](c1ccc(-c2n[nH]c(C3CCC3)n2)cc1)[NH+]1CCCCC1 ZINC000426384037 257252703 /nfs/dbraw/zinc/25/27/03/257252703.db2.gz ZPSPLUOLNCEEPW-CQSZACIVSA-N 1 0 310.445 4.286 50 0 DIAARO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H](C3CC3)C1)CCCO2 ZINC000240744082 257259397 /nfs/dbraw/zinc/25/93/97/257259397.db2.gz HUKQFANVYFWGDT-QXAKKESOSA-N 1 0 315.457 4.064 50 0 DIAARO Cc1ccccc1CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000240163526 257259839 /nfs/dbraw/zinc/25/98/39/257259839.db2.gz JBNGYRVTKLXUGR-SFTDATJTSA-N 1 0 312.501 4.224 50 0 DIAARO C[C@@H]1N(O)C(c2ccccc2)=C(c2ccccc2)[N+](=O)C1(C)C ZINC000334157295 257261893 /nfs/dbraw/zinc/26/18/93/257261893.db2.gz VSYBQWIUEJNUAN-AWEZNQCLSA-N 1 0 309.389 4.163 50 0 DIAARO COc1ccc([C@H](C)[NH2+]Cc2cccc3[nH]ccc32)c(C)c1OC ZINC000288371645 131322376 /nfs/dbraw/zinc/32/23/76/131322376.db2.gz FEFGOKMYSVXPKJ-AWEZNQCLSA-N 1 0 324.424 4.344 50 0 DIAARO CCC1CCC([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000000212517 134432002 /nfs/dbraw/zinc/43/20/02/134432002.db2.gz ARUZBSVKMDHBKR-UHFFFAOYSA-N 1 0 306.881 4.431 50 0 DIAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(OC2CCOCC2)cc1 ZINC000132237902 196237791 /nfs/dbraw/zinc/23/77/91/196237791.db2.gz RGWVUYRAUAGNLU-TWOQFEAHSA-N 1 0 317.473 4.474 50 0 DIAARO C[C@H]([NH2+][C@H]1CCCO[C@@H]1c1ccncc1)c1cc2ccccc2o1 ZINC000291412110 222374075 /nfs/dbraw/zinc/37/40/75/222374075.db2.gz GOBFCDLOHBGDQB-GZRFBZBPSA-N 1 0 322.408 4.399 50 0 DIAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(O)c3)c2c1 ZINC000000081064 331459228 /nfs/dbraw/zinc/45/92/28/331459228.db2.gz ABUYBSFUDUZBMR-UHFFFAOYSA-N 1 0 322.364 4.169 50 0 DIAARO C[NH+](C)CCN(Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000019632872 331580452 /nfs/dbraw/zinc/58/04/52/331580452.db2.gz ZCLHNTDJFTVBFW-UHFFFAOYSA-N 1 0 320.839 4.043 50 0 DIAARO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000006566374 332711287 /nfs/dbraw/zinc/71/12/87/332711287.db2.gz XGHOGRQGQKPKTK-GWCFXTLKSA-N 1 0 315.244 4.100 50 0 DIAARO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1cc(C2CC2)on1 ZINC000534640912 334311042 /nfs/dbraw/zinc/31/10/42/334311042.db2.gz ZSYUJKWONJBENM-CYBMUJFWSA-N 1 0 309.413 4.144 50 0 DIAARO C[C@H](c1ccc(-c2cnc3ccccc3n2)cc1)[NH+]1CCCC1 ZINC000534656769 334314149 /nfs/dbraw/zinc/31/41/49/334314149.db2.gz SXLGMVZJSRQRTL-OAHLLOKOSA-N 1 0 303.409 4.454 50 0 DIAARO c1sc(C[NH2+]C[C@@H]2COc3ccccc32)nc1-c1ccccc1 ZINC000342428588 334540150 /nfs/dbraw/zinc/54/01/50/334540150.db2.gz OLAUDZTXLZBLKT-OAHLLOKOSA-N 1 0 322.433 4.076 50 0 DIAARO CCOC1=C(C[NH+](C)C)[C@H](c2ccc(C)cc2)Oc2ccccc21 ZINC000071405270 334876112 /nfs/dbraw/zinc/87/61/12/334876112.db2.gz QAQPYIKTJWDZCV-FQEVSTJZSA-N 1 0 323.436 4.438 50 0 DIAARO c1c[nH]c([C@@H]2CCCCN2c2nc(C3CCCCC3)ns2)n1 ZINC000333756649 336209687 /nfs/dbraw/zinc/20/96/87/336209687.db2.gz ZWDAPBABDZPSTN-ZDUSSCGKSA-N 1 0 317.462 4.041 50 0 DIAARO CCOC1CC2(C1)CC[N@H+](Cc1cc3ccccc3s1)C2 ZINC000512827536 340379616 /nfs/dbraw/zinc/37/96/16/340379616.db2.gz KHGRZJZIIMXRRT-UHFFFAOYSA-N 1 0 301.455 4.292 50 0 DIAARO CC(C)CCN(Cn1nc(-c2cccs2)[nH]c1=S)C1CC1 ZINC000048344351 563696996 /nfs/dbraw/zinc/69/69/96/563696996.db2.gz NPPUMBMKSOBIRY-UHFFFAOYSA-N 1 0 322.503 4.137 50 0 DIAARO Cc1ccc(-c2noc([C@H](C)[N@@H+](C)CCC(C)C)n2)cc1F ZINC000069350375 563952410 /nfs/dbraw/zinc/95/24/10/563952410.db2.gz VNLKIRSVMHHLQJ-ZDUSSCGKSA-N 1 0 305.397 4.223 50 0 DIAARO COCCC[NH2+]CC[C@@]1(CCC(C)C)CCO[C@H](C(C)C)C1 ZINC000013655137 563468414 /nfs/dbraw/zinc/46/84/14/563468414.db2.gz BUASARGVQPMCPF-OALUTQOASA-N 1 0 313.526 4.260 50 0 DIAARO C[C@H](CC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000000183286 563228513 /nfs/dbraw/zinc/22/85/13/563228513.db2.gz GPNQMDLKARMLTR-QGZVFWFLSA-N 1 0 312.432 4.142 50 0 DIAARO Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000000238282 563232190 /nfs/dbraw/zinc/23/21/90/563232190.db2.gz FDUKBXPYEVPRMX-UHFFFAOYSA-N 1 0 314.860 4.279 50 0 DIAARO CCOc1ccccc1N1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000000292335 563236482 /nfs/dbraw/zinc/23/64/82/563236482.db2.gz LJNWZRKWMLIUHF-UHFFFAOYSA-N 1 0 324.468 4.024 50 0 DIAARO CC(C)(C)c1cn2c3ccccc3n(CC[NH+]3CCCCC3)c2n1 ZINC000000299136 563237029 /nfs/dbraw/zinc/23/70/29/563237029.db2.gz MURSQCPLOHCLID-UHFFFAOYSA-N 1 0 324.472 4.072 50 0 DIAARO CCOC(=O)c1oc2ccc(C[NH2+]C(C)(C)C)c(Cl)c2c1C ZINC000000296121 563237357 /nfs/dbraw/zinc/23/73/57/563237357.db2.gz IMAPRFVWUNXVBD-UHFFFAOYSA-N 1 0 323.820 4.459 50 0 DIAARO COc1ccccc1NC(=[NH2+])Nc1cccc(C(F)(F)F)c1 ZINC000000314506 563240267 /nfs/dbraw/zinc/24/02/67/563240267.db2.gz CIVUFLZMZOVXDA-UHFFFAOYSA-N 1 0 309.291 4.173 50 0 DIAARO Cc1sc(NC(=O)c2ccccc2)c(C[NH2+]C(C)C)c1C ZINC000000359469 563244148 /nfs/dbraw/zinc/24/41/48/563244148.db2.gz HDVCBLILSKPFSK-UHFFFAOYSA-N 1 0 302.443 4.115 50 0 DIAARO Cc1ccccc1N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000001227316 563280063 /nfs/dbraw/zinc/28/00/63/563280063.db2.gz AWVAGQTWIWNNHC-UHFFFAOYSA-N 1 0 308.469 4.441 50 0 DIAARO CC[NH+](CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 ZINC000001420561 563283373 /nfs/dbraw/zinc/28/33/73/563283373.db2.gz NZLBHDRPUJLHCE-UHFFFAOYSA-N 1 0 322.496 4.392 50 0 world DIAARO C[NH+](C)CCCOC(=O)N1c2ccccc2C=Cc2ccccc21 ZINC000001820547 563296398 /nfs/dbraw/zinc/29/63/98/563296398.db2.gz CVMPCTOEVSJRNO-UHFFFAOYSA-N 1 0 322.408 4.397 50 0 DIAARO COc1ccccc1Nc1c2cc(N)ccc2[nH+]c2c1CCCC2 ZINC000002456125 563303836 /nfs/dbraw/zinc/30/38/36/563303836.db2.gz WUWOVCONCUEISL-UHFFFAOYSA-N 1 0 319.408 4.448 50 0 DIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(Cl)c(F)c1 ZINC000002514906 563305325 /nfs/dbraw/zinc/30/53/25/563305325.db2.gz FAJDOXARJQPRNX-UHFFFAOYSA-N 1 0 315.775 4.082 50 0 DIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000002514572 563305353 /nfs/dbraw/zinc/30/53/53/563305353.db2.gz BJBBTODQXQAHCM-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)c(Cl)c1 ZINC000002515074 563305887 /nfs/dbraw/zinc/30/58/87/563305887.db2.gz LXBURPITSUZFFI-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO O=C(c1ccc(F)c(F)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515532 563306062 /nfs/dbraw/zinc/30/60/62/563306062.db2.gz XDLNBUNIWMBRHL-UHFFFAOYSA-N 1 0 315.363 4.182 50 0 DIAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1Cl ZINC000002515081 563306277 /nfs/dbraw/zinc/30/62/77/563306277.db2.gz OGBGPQYZPGKGPJ-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO O=C(c1ccc(F)c(Cl)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515570 563306326 /nfs/dbraw/zinc/30/63/26/563306326.db2.gz PIABEICXOSYLEE-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000002783857 563312940 /nfs/dbraw/zinc/31/29/40/563312940.db2.gz CJTFIBVGQVEAAS-UHFFFAOYSA-N 1 0 316.832 4.191 50 0 DIAARO Cc1ccc2c(c1)sc[n+]2Cc1cccc(Br)c1 ZINC000002871081 563315761 /nfs/dbraw/zinc/31/57/61/563315761.db2.gz CCCMWUSWPWTOMI-UHFFFAOYSA-N 1 0 319.247 4.308 50 0 DIAARO CC[N@H+](CCCC(=O)c1ccc(F)cc1)CCc1ccccc1 ZINC000002972365 563318973 /nfs/dbraw/zinc/31/89/73/563318973.db2.gz MDXWILWJWQTRQH-UHFFFAOYSA-N 1 0 313.416 4.353 50 0 DIAARO CCCC[NH2+]CCOCCOc1ccccc1-c1ccccc1 ZINC000003000586 563320605 /nfs/dbraw/zinc/32/06/05/563320605.db2.gz HNGIURSRGBTUKQ-UHFFFAOYSA-N 1 0 313.441 4.139 50 0 DIAARO CCCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004054448 563326673 /nfs/dbraw/zinc/32/66/73/563326673.db2.gz XFJMYVIQQRIHKS-UHFFFAOYSA-N 1 0 314.395 4.408 50 0 DIAARO C[N@@H+]1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2F)C1 ZINC000005525650 563329460 /nfs/dbraw/zinc/32/94/60/563329460.db2.gz LHJBCLDBYVWZGT-HZPDHXFCSA-N 1 0 317.791 4.007 50 0 DIAARO C[C@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccncc1 ZINC000097370690 563336622 /nfs/dbraw/zinc/33/66/22/563336622.db2.gz GGNFQJPVHIYTIO-LBPRGKRZSA-N 1 0 313.788 4.241 50 0 DIAARO c1csc(COc2ccc(C[NH2+]Cc3ccncc3)cc2)c1 ZINC000007365252 563337868 /nfs/dbraw/zinc/33/78/68/563337868.db2.gz JUABFTKIFWNJOO-UHFFFAOYSA-N 1 0 310.422 4.012 50 0 DIAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000008326711 563346150 /nfs/dbraw/zinc/34/61/50/563346150.db2.gz WMDAFSNOHFWOQO-AWEZNQCLSA-N 1 0 317.404 4.301 50 0 DIAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[NH+]1CCCCCC1 ZINC000008700853 563349326 /nfs/dbraw/zinc/34/93/26/563349326.db2.gz BBTAQBRIONVENJ-UHFFFAOYSA-N 1 0 304.821 4.278 50 0 DIAARO Clc1ccc2ncc(C[NH2+]C34CC5CC(CC(C5)C3)C4)n2c1 ZINC000008855331 563350865 /nfs/dbraw/zinc/35/08/65/563350865.db2.gz OLKCUCNHBKYSHI-UHFFFAOYSA-N 1 0 315.848 4.046 50 0 DIAARO CCc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010362041 563356888 /nfs/dbraw/zinc/35/68/88/563356888.db2.gz XCJYVOLTQVIVNR-UHFFFAOYSA-N 1 0 322.452 4.487 50 0 DIAARO Cc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2C)C1 ZINC000011839939 563360106 /nfs/dbraw/zinc/36/01/06/563360106.db2.gz VNRYNSNLDGVKKC-JOCHJYFZSA-N 1 0 323.480 4.121 50 0 DIAARO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH2+]C1CCC1 ZINC000011935931 563361000 /nfs/dbraw/zinc/36/10/00/563361000.db2.gz YNJNCQIFRWYXMS-UHFFFAOYSA-N 1 0 303.409 4.386 50 0 DIAARO Fc1ccc(CC[C@H]2CCC[N@H+](Cc3nccs3)C2)cc1F ZINC000012052847 563361112 /nfs/dbraw/zinc/36/11/12/563361112.db2.gz YDBJTURQUZGRCI-CQSZACIVSA-N 1 0 322.424 4.266 50 0 DIAARO Cc1c([C@H](C)[NH2+]C2CCCCC2)cnn1-c1ccc(F)cc1F ZINC000012315471 563366107 /nfs/dbraw/zinc/36/61/07/563366107.db2.gz QARCTVPWRVOIIC-LBPRGKRZSA-N 1 0 319.399 4.442 50 0 DIAARO CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012373359 563367130 /nfs/dbraw/zinc/36/71/30/563367130.db2.gz NYQJCKNMOVSPQY-AWEZNQCLSA-N 1 0 305.809 4.155 50 0 DIAARO Cc1nn2c(nc(C)cc2Nc2cc[nH+]cc2)c1-c1ccccc1 ZINC000012374420 563367290 /nfs/dbraw/zinc/36/72/90/563367290.db2.gz RCCWJNGMHPXYAY-UHFFFAOYSA-N 1 0 315.380 4.152 50 0 DIAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000012713666 563373326 /nfs/dbraw/zinc/37/33/26/563373326.db2.gz FLHXVEUWLLPBAM-CYBMUJFWSA-N 1 0 311.347 4.153 50 0 DIAARO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000015310113 563409086 /nfs/dbraw/zinc/40/90/86/563409086.db2.gz UVLHJJBBKHXQLK-IBGZPJMESA-N 1 0 323.436 4.493 50 0 DIAARO c1nn(Cc2ccccc2)c2c1[C@H]([NH2+]Cc1ccccc1)CCC2 ZINC000027222416 563427329 /nfs/dbraw/zinc/42/73/29/563427329.db2.gz LMPRBSXCAMABJF-HXUWFJFHSA-N 1 0 317.436 4.099 50 0 DIAARO Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)o1 ZINC000027223052 563427372 /nfs/dbraw/zinc/42/73/72/563427372.db2.gz QBNBAAPIRFCEOR-LJQANCHMSA-N 1 0 321.424 4.000 50 0 DIAARO CC(C)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029482410 563434411 /nfs/dbraw/zinc/43/44/11/563434411.db2.gz XGMFBRBOCBUIPX-HXUWFJFHSA-N 1 0 322.452 4.368 50 0 DIAARO CCCC[N@H+](CCCN1CCOC1=O)[C@H](CC)c1ccccc1 ZINC000072285252 563434543 /nfs/dbraw/zinc/43/45/43/563434543.db2.gz ULNLBDMJMKYRCO-GOSISDBHSA-N 1 0 318.461 4.082 50 0 DIAARO FC(F)(F)c1ccccc1C[NH2+]CCCNc1ccccc1 ZINC000072289948 563436059 /nfs/dbraw/zinc/43/60/59/563436059.db2.gz QZLJZFULJWIFJH-UHFFFAOYSA-N 1 0 308.347 4.297 50 0 DIAARO COc1ccc(-n2c3ccccc3nc2C[NH+]2CCCCC2)cc1 ZINC000029922388 563436232 /nfs/dbraw/zinc/43/62/32/563436232.db2.gz ZFVIGFOMGQCQKQ-UHFFFAOYSA-N 1 0 321.424 4.020 50 0 DIAARO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000019636659 563448995 /nfs/dbraw/zinc/44/89/95/563448995.db2.gz MWKBBHQWUSYYJS-ZDUSSCGKSA-N 1 0 323.358 4.435 50 0 DIAARO CCOc1ccc(C[N@H+](CCCC(F)(F)F)C2CC2)cc1 ZINC000055383344 563474658 /nfs/dbraw/zinc/47/46/58/563474658.db2.gz RPAIJBGFKJQQCD-UHFFFAOYSA-N 1 0 301.352 4.392 50 0 DIAARO Cc1ccc(C)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055543830 563476625 /nfs/dbraw/zinc/47/66/25/563476625.db2.gz ALWHYFGIMWRYPM-UHFFFAOYSA-N 1 0 314.860 4.279 50 0 DIAARO C[N+](Cc1ccccc1)=C1C=C(N2CCCCC2)CC(C)(C)C1 ZINC000058158308 563478583 /nfs/dbraw/zinc/47/85/83/563478583.db2.gz WNMVXGAPMUPKLJ-UHFFFAOYSA-N 1 0 311.493 4.460 50 0 DIAARO Cc1nn(CN2CCCC[C@H]2Cc2ccccc2)c(=S)s1 ZINC000058158622 563478866 /nfs/dbraw/zinc/47/88/66/563478866.db2.gz QDUURUOCEVLDIR-HNNXBMFYSA-N 1 0 319.499 4.037 50 0 DIAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(CC)no2)cc1 ZINC000064666981 563485815 /nfs/dbraw/zinc/48/58/15/563485815.db2.gz RWYVGKMGDKPAIK-GOSISDBHSA-N 1 0 314.429 4.363 50 0 DIAARO Cc1ccc2[nH]c([C@H]([NH2+]C3CCSCC3)C(C)C)nc2c1 ZINC000067673485 563488749 /nfs/dbraw/zinc/48/87/49/563488749.db2.gz DVAQGAKYMSORIP-MRXNPFEDSA-N 1 0 303.475 4.054 50 0 DIAARO Cc1ccc2cc(C[N@H+](Cc3ccsc3)C3CC3)c(=O)[nH]c2c1 ZINC000067689218 563488753 /nfs/dbraw/zinc/48/87/53/563488753.db2.gz WKSDFBZFOHBJHS-UHFFFAOYSA-N 1 0 324.449 4.063 50 0 DIAARO C[C@@]12CCCC(=O)[C@H]1[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000068677144 563495381 /nfs/dbraw/zinc/49/53/81/563495381.db2.gz XCTUOBOQUJSQJX-UWHLTILDSA-N 1 0 305.421 4.448 50 0 DIAARO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000097151478 563507373 /nfs/dbraw/zinc/50/73/73/563507373.db2.gz VBDILHRTXFYXOK-MRXNPFEDSA-N 1 0 317.816 4.352 50 0 DIAARO Clc1ccc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2)s1 ZINC000077438310 563509971 /nfs/dbraw/zinc/50/99/71/563509971.db2.gz ARPNQHLZWSEHGS-CYBMUJFWSA-N 1 0 309.866 4.043 50 0 DIAARO Cn1ccnc1CC[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000077471924 563510963 /nfs/dbraw/zinc/51/09/63/563510963.db2.gz YCMSJCXNRJQIRY-QGZVFWFLSA-N 1 0 323.440 4.154 50 0 DIAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000000075310 563523599 /nfs/dbraw/zinc/52/35/99/563523599.db2.gz BVPNPNFRRPQTNG-HXUWFJFHSA-N 1 0 305.425 4.447 50 0 DIAARO C[N@@H+]1CC[C@@](OC(=O)c2ccccc2)(c2ccccc2)C(C)(C)C1 ZINC000000080847 563524847 /nfs/dbraw/zinc/52/48/47/563524847.db2.gz ZKZBUCGVJVYHEN-OAQYLSRUSA-N 1 0 323.436 4.101 50 0 DIAARO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 ZINC000072670455 563526193 /nfs/dbraw/zinc/52/61/93/563526193.db2.gz HJQCMCQQKRNPOI-CQSZACIVSA-N 1 0 311.816 4.377 50 0 DIAARO CC(C)n1ccnc1[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000095352453 563528975 /nfs/dbraw/zinc/52/89/75/563528975.db2.gz NUVDAPUQYLMVRR-INIZCTEOSA-N 1 0 320.440 4.396 50 0 DIAARO O[C@H](C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000247796056 563539151 /nfs/dbraw/zinc/53/91/51/563539151.db2.gz RNYDSULXEGZJTK-DLBZAZTESA-N 1 0 324.449 4.167 50 0 DIAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(-c3ccco3)c2)C1 ZINC000097742802 563541975 /nfs/dbraw/zinc/54/19/75/563541975.db2.gz JPBDLCWMYXIMNL-OAQYLSRUSA-N 1 0 319.404 4.040 50 0 DIAARO CCOC(=O)c1cccc(Nc2cc(C)[nH+]c3ccccc23)c1 ZINC000000120716 563570756 /nfs/dbraw/zinc/57/07/56/563570756.db2.gz JSCMDZQSKALNCS-UHFFFAOYSA-N 1 0 306.365 4.464 50 0 DIAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccccc3C)c2c1 ZINC000000144061 563573246 /nfs/dbraw/zinc/57/32/46/563573246.db2.gz DVJXWHRDFKRHGX-UHFFFAOYSA-N 1 0 306.365 4.382 50 0 DIAARO CC1(C)CCC(CN2CC[NH2+]CC2)=C(c2ccc(Cl)cc2)C1 ZINC000114022179 563587051 /nfs/dbraw/zinc/58/70/51/563587051.db2.gz YCNNHDUZLQPKJY-UHFFFAOYSA-N 1 0 318.892 4.209 50 0 DIAARO O=C(C[NH2+]C1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000000411627 563611323 /nfs/dbraw/zinc/61/13/23/563611323.db2.gz IWASZWZXCNPPHQ-UHFFFAOYSA-N 1 0 324.424 4.340 50 0 DIAARO CC(C)c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000075572789 563617014 /nfs/dbraw/zinc/61/70/14/563617014.db2.gz SXBSVZITHPAAAI-INIZCTEOSA-N 1 0 310.441 4.317 50 0 DIAARO CC(C)CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000078702873 563618013 /nfs/dbraw/zinc/61/80/13/563618013.db2.gz BTQDWIFRMGKQRW-MRXNPFEDSA-N 1 0 300.446 4.117 50 0 DIAARO CCc1noc(CC)c1C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000166931781 563618741 /nfs/dbraw/zinc/61/87/41/563618741.db2.gz OCLJQBAULIPLJH-HXPMCKFVSA-N 1 0 316.420 4.352 50 0 DIAARO CCc1noc(CC)c1C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000166931672 563618779 /nfs/dbraw/zinc/61/87/79/563618779.db2.gz OCLJQBAULIPLJH-BUXKBTBVSA-N 1 0 316.420 4.352 50 0 DIAARO CCOC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000000240516 563628225 /nfs/dbraw/zinc/62/82/25/563628225.db2.gz UFFVOQWYVIDLKP-UHFFFAOYSA-N 1 0 323.436 4.129 50 0 DIAARO c1n(Cc2ccccc2)c2ccccc2[n+]1CCc1ccccc1 ZINC000169667244 563647330 /nfs/dbraw/zinc/64/73/30/563647330.db2.gz PSLPDVMHIWXGPT-UHFFFAOYSA-N 1 0 313.424 4.220 50 0 DIAARO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCCCC1 ZINC000051086110 563650281 /nfs/dbraw/zinc/65/02/81/563650281.db2.gz MGHNXXJBACJRLB-INIZCTEOSA-N 1 0 308.425 4.486 50 0 DIAARO COc1ccc(C[C@H](C)[NH2+]CCC2=CCCCC2)cc1OC ZINC000012383597 563652476 /nfs/dbraw/zinc/65/24/76/563652476.db2.gz ZBGAECRVLFXUHD-HNNXBMFYSA-N 1 0 303.446 4.115 50 0 DIAARO Cc1ccc(CCn2c3ccc(C)cc3c3c2CCN(C)C3)cc1 ZINC000045387600 563689208 /nfs/dbraw/zinc/68/92/08/563689208.db2.gz KRPHBUMURAALTO-UHFFFAOYSA-N 1 0 318.464 4.489 50 0 DIAARO CC(C)CC[C@H](C)[NH+]1CCC(n2cc(C(C)(C)C)nn2)CC1 ZINC000048170757 563693454 /nfs/dbraw/zinc/69/34/54/563693454.db2.gz FHLLYPKNSTXZDD-HNNXBMFYSA-N 1 0 306.498 4.037 50 0 DIAARO CCCCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048342287 563697092 /nfs/dbraw/zinc/69/70/92/563697092.db2.gz SVYYTXWWZQOMNC-KRWDZBQOSA-N 1 0 316.489 4.115 50 0 DIAARO CCn1nc(C)c(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c1C ZINC000215242661 563704549 /nfs/dbraw/zinc/70/45/49/563704549.db2.gz FUSBMGVXRSCALA-OAHLLOKOSA-N 1 0 317.864 4.163 50 0 DIAARO C[C@H](c1cccnc1)N(C)Cc1cnc(C2CCCCC2)nc1 ZINC000215469792 563705834 /nfs/dbraw/zinc/70/58/34/563705834.db2.gz YRFJXMCRGSGNDI-OAHLLOKOSA-N 1 0 310.445 4.112 50 0 DIAARO COc1cccc([C@@H]2CCN2Cc2cc3c(cc2OC)CCC3)c1 ZINC000216385675 563709199 /nfs/dbraw/zinc/70/91/99/563709199.db2.gz CSRRHXKITRHTGE-FQEVSTJZSA-N 1 0 323.436 4.140 50 0 DIAARO COc1ccc(C[NH2+]Cc2ccco2)cc1OCc1ccccc1 ZINC000000810252 563718947 /nfs/dbraw/zinc/71/89/47/563718947.db2.gz QWAJCCHUZOIAQE-UHFFFAOYSA-N 1 0 323.392 4.157 50 0 DIAARO C[C@H]1C[C@H](C)C[N+](=C2C=C(N3CCCCC3)CC(C)(C)C2)C1 ZINC000033402442 563724403 /nfs/dbraw/zinc/72/44/03/563724403.db2.gz DMCMMNOYIPXYFH-IRXDYDNUSA-N 1 0 303.514 4.306 50 0 DIAARO Cc1nc2c(n1[C@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)CCCC2 ZINC000225430878 563754682 /nfs/dbraw/zinc/75/46/82/563754682.db2.gz QQRZSKBVCSKMCD-YJBOKZPZSA-N 1 0 309.457 4.078 50 0 DIAARO Cc1cc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)ccc1C(C)C ZINC000239274591 563775841 /nfs/dbraw/zinc/77/58/41/563775841.db2.gz AKQJFRFSGLFOOG-KZNAEPCWSA-N 1 0 319.489 4.121 50 0 DIAARO CO[C@H](C)c1noc(C[N@@H+]2CCCCC[C@H]2C2CCCCC2)n1 ZINC000241383229 563777047 /nfs/dbraw/zinc/77/70/47/563777047.db2.gz MTLLZKJLYUGEKB-ZBFHGGJFSA-N 1 0 321.465 4.102 50 0 DIAARO FC(F)(F)c1cccc([C@@H]([NH2+]Cc2cc[nH]n2)C2CCC2)c1 ZINC000242292529 563778461 /nfs/dbraw/zinc/77/84/61/563778461.db2.gz YMYBQEYCAKQGGA-HNNXBMFYSA-N 1 0 309.335 4.060 50 0 DIAARO Cc1c[nH]c(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c(C)c1=O ZINC000253537125 563784215 /nfs/dbraw/zinc/78/42/15/563784215.db2.gz YQUFTUZPIHYCEP-CQSZACIVSA-N 1 0 316.832 4.047 50 0 DIAARO COc1cc(C[NH+]2CCC(c3cccs3)CC2)cc(OC)c1 ZINC000085473467 563837995 /nfs/dbraw/zinc/83/79/95/563837995.db2.gz AGNQAWFPZWUQJU-UHFFFAOYSA-N 1 0 317.454 4.145 50 0 DIAARO Cc1cc(C)n(CC2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000075154725 563860653 /nfs/dbraw/zinc/86/06/53/563860653.db2.gz AYHOBRXDMNVLCL-UHFFFAOYSA-N 1 0 317.864 4.066 50 0 DIAARO NNc1[nH+]nc(-c2ccc(-c3ccccc3)cc2)c2ccccc21 ZINC000075283416 563874576 /nfs/dbraw/zinc/87/45/76/563874576.db2.gz WFMZFSMBYXSHIO-UHFFFAOYSA-N 1 0 312.376 4.249 50 0 DIAARO Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](C)c3ccc(C)cc3)c(C)n2n1 ZINC000091726811 563879238 /nfs/dbraw/zinc/87/92/38/563879238.db2.gz FHTQKQZCHGYYOY-GOEBONIOSA-N 1 0 322.456 4.109 50 0 DIAARO Cc1csc(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)n1 ZINC000092787512 563882548 /nfs/dbraw/zinc/88/25/48/563882548.db2.gz UZCVYETYWSMXAZ-UHFFFAOYSA-N 1 0 319.499 4.165 50 0 DIAARO COC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)cc1 ZINC000006571336 563890393 /nfs/dbraw/zinc/89/03/93/563890393.db2.gz RCVCPBNUJRCPDW-UHFFFAOYSA-N 1 0 322.364 4.082 50 0 biogenic DIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)Cc2ccccc2)s1 ZINC000036100954 563893391 /nfs/dbraw/zinc/89/33/91/563893391.db2.gz CKNNCDCCJVVNTP-GOSISDBHSA-N 1 0 317.498 4.118 50 0 DIAARO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000007016078 563901154 /nfs/dbraw/zinc/90/11/54/563901154.db2.gz JDSHRESXWBORPT-UHFFFAOYSA-N 1 0 308.425 4.315 50 0 DIAARO CCC1CCC([NH2+]C2(c3nc(C)cs3)CCOCC2)CC1 ZINC000170084566 563903641 /nfs/dbraw/zinc/90/36/41/563903641.db2.gz YEFPGRXTIADWPK-UHFFFAOYSA-N 1 0 308.491 4.016 50 0 DIAARO Cc1ccc(CCC[N@@H+]2CCCCC[C@H]2c2ccncc2)cn1 ZINC000170607012 563907699 /nfs/dbraw/zinc/90/76/99/563907699.db2.gz CWTIHQHMNMBFIY-FQEVSTJZSA-N 1 0 309.457 4.335 50 0 DIAARO C[C@H](O)C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)c1ccccc1 ZINC000192956745 563908538 /nfs/dbraw/zinc/90/85/38/563908538.db2.gz ZUHBDXZYTDQOMA-DJPFJPOOSA-N 1 0 324.468 4.078 50 0 DIAARO CCc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000013325266 563909626 /nfs/dbraw/zinc/90/96/26/563909626.db2.gz WLHNBPXTUWDGPL-UHFFFAOYSA-N 1 0 323.440 4.489 50 0 DIAARO COc1ccnc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000195559729 563919816 /nfs/dbraw/zinc/91/98/16/563919816.db2.gz VHTCPQXEKCMSDR-OAHLLOKOSA-N 1 0 319.408 4.003 50 0 DIAARO Clc1ccc2c(c1)nccc2NCc1ccc2c(c1)OCO2 ZINC000007813832 563919984 /nfs/dbraw/zinc/91/99/84/563919984.db2.gz VCEZMHMECFTULX-UHFFFAOYSA-N 1 0 312.756 4.229 50 0 DIAARO C(C1CCCCC1)N1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000022859695 563923628 /nfs/dbraw/zinc/92/36/28/563923628.db2.gz GBNBYPBMSVRMBX-VQTJNVASSA-N 1 0 304.522 4.296 50 0 DIAARO O=[N+]1C(c2ccccc2)=C(c2ccccc2)N(O)[C@H]2CCCC[C@H]21 ZINC000137023411 563924290 /nfs/dbraw/zinc/92/42/90/563924290.db2.gz ORDFLFRJKXTMTM-ZWKOTPCHSA-N 1 0 321.400 4.307 50 0 DIAARO Clc1ccc(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000253425583 563925125 /nfs/dbraw/zinc/92/51/25/563925125.db2.gz FJMUWRSZDWHNIJ-OAHLLOKOSA-N 1 0 304.846 4.102 50 0 DIAARO c1ccc([C@@H]2C[N@@H+](C[C@@H]3CCCCO3)Cc3ccccc32)cc1 ZINC000095947995 563932253 /nfs/dbraw/zinc/93/22/53/563932253.db2.gz BIWSCYRZAJFDGR-FPOVZHCZSA-N 1 0 307.437 4.203 50 0 DIAARO COc1ccccc1[C@@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000095953678 563932331 /nfs/dbraw/zinc/93/23/31/563932331.db2.gz ZDKORRXGMUSUOW-IBGZPJMESA-N 1 0 313.466 4.270 50 0 DIAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H]2CC(C)(C)Cc3occc32)n1 ZINC000095967319 563932861 /nfs/dbraw/zinc/93/28/61/563932861.db2.gz ZJNQTUBSEBZFSC-CXAGYDPISA-N 1 0 315.461 4.032 50 0 DIAARO CCn1nc(C)c([C@H](C)[NH2+]CCc2c[nH]c3cc(C)ccc23)c1C ZINC000095967571 563932931 /nfs/dbraw/zinc/93/29/31/563932931.db2.gz GUUHHCCTMORQFJ-AWEZNQCLSA-N 1 0 324.472 4.203 50 0 DIAARO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(Cl)c1Cl ZINC000095968154 563933134 /nfs/dbraw/zinc/93/31/34/563933134.db2.gz XPUULFNWWCDUDS-WOPDTQHZSA-N 1 0 313.272 4.269 50 0 DIAARO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc2ccccc2o1 ZINC000095968311 563933143 /nfs/dbraw/zinc/93/31/43/563933143.db2.gz PLLXCXITFDWIDE-SJCJKPOMSA-N 1 0 301.411 4.053 50 0 DIAARO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc2ccccc21 ZINC000095983774 563933915 /nfs/dbraw/zinc/93/39/15/563933915.db2.gz DROFNNIBRNZWOO-DOTOQJQBSA-N 1 0 311.425 4.176 50 0 DIAARO Fc1ccccc1CC[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000095996207 563934361 /nfs/dbraw/zinc/93/43/61/563934361.db2.gz NYJGVVLFINHJRN-FQEVSTJZSA-N 1 0 306.384 4.142 50 0 DIAARO O=C1CCCC[C@]1([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000096027265 563935025 /nfs/dbraw/zinc/93/50/25/563935025.db2.gz DIMCBBSBDXBNEX-NRFANRHFSA-N 1 0 323.436 4.084 50 0 DIAARO O=C(OC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000096026382 563935082 /nfs/dbraw/zinc/93/50/82/563935082.db2.gz SUZFXTWUYXOXCK-IBGZPJMESA-N 1 0 309.409 4.071 50 0 DIAARO CC(C)(C)[NH2+]C[C@](O)(c1cc2ccccc2o1)c1ccccc1 ZINC000096027699 563935139 /nfs/dbraw/zinc/93/51/39/563935139.db2.gz ASQLFPNCWHPNMB-HXUWFJFHSA-N 1 0 309.409 4.057 50 0 DIAARO CCC[NH2+]CCCOc1c(Cl)cc(Cl)c2cccnc21 ZINC000096028210 563935332 /nfs/dbraw/zinc/93/53/32/563935332.db2.gz MDCLQZGEKDMVTA-UHFFFAOYSA-N 1 0 313.228 4.310 50 0 DIAARO Cc1ccc(OCCCC[NH2+]C[C@@H]2CCCO2)c(C(C)(C)C)c1 ZINC000003247027 563943073 /nfs/dbraw/zinc/94/30/73/563943073.db2.gz SOZKIJQGZWGXKN-KRWDZBQOSA-N 1 0 319.489 4.220 50 0 DIAARO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1 ZINC000008128824 563946833 /nfs/dbraw/zinc/94/68/33/563946833.db2.gz ZVHQORPNPMFUTD-KDOFPFPSSA-N 1 0 314.404 4.202 50 0 DIAARO CCC[NH+](CCC)Cc1c(C)[nH]c2c(CC)cccc2c1=O ZINC000008714171 563949949 /nfs/dbraw/zinc/94/99/49/563949949.db2.gz HBROYPZTWCZORH-UHFFFAOYSA-N 1 0 300.446 4.433 50 0 DIAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(OCCC)cc2c1=O ZINC000008717130 563950023 /nfs/dbraw/zinc/95/00/23/563950023.db2.gz CCWGOAGHZASTSQ-UHFFFAOYSA-N 1 0 316.445 4.270 50 0 DIAARO COc1cccc(C[N@H+](C)[C@@H](C)c2cccc(F)c2)c1OC ZINC000040157186 563951680 /nfs/dbraw/zinc/95/16/80/563951680.db2.gz IJUUGKHOMAWQJH-ZDUSSCGKSA-N 1 0 303.377 4.036 50 0 DIAARO CC(C)(C)[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000069592190 563953752 /nfs/dbraw/zinc/95/37/52/563953752.db2.gz WUCOOQBYSPZMPC-LJQANCHMSA-N 1 0 320.436 4.405 50 0 DIAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]C[C@H](C)c1ccccc1 ZINC000071839156 563959279 /nfs/dbraw/zinc/95/92/79/563959279.db2.gz PAWDDYAJAFNDQC-AWEZNQCLSA-N 1 0 319.880 4.394 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000071857538 563959354 /nfs/dbraw/zinc/95/93/54/563959354.db2.gz ZQNVCORGIAEWBY-FQEVSTJZSA-N 1 0 308.425 4.276 50 0 DIAARO CC[NH2+][C@@H]1CCO[C@H](c2ccccc2-c2ccc(OC)cc2)C1 ZINC000665887142 563960438 /nfs/dbraw/zinc/96/04/38/563960438.db2.gz ACEXRRNOQMCUOL-UZLBHIALSA-N 1 0 311.425 4.192 50 0 DIAARO CCCCSC1=[NH+]c2ccccc2NC(CC(=O)OC)=C1 ZINC000035480683 563961877 /nfs/dbraw/zinc/96/18/77/563961877.db2.gz PHPICQDVMLETJL-UHFFFAOYSA-N 1 0 304.415 4.122 50 0 DIAARO CC1(C)C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)CCO1 ZINC000160434440 1037004617 /nfs/dbraw/zinc/00/46/17/1037004617.db2.gz UFBRTEUXCXIFHA-MRXNPFEDSA-N 1 0 303.446 4.055 50 0 DIAARO CC[C@H](C)[NH2+]CCOc1ccc2ccccc2c1Br ZINC000002822803 1038623178 /nfs/dbraw/zinc/62/31/78/1038623178.db2.gz JFELWGTXQIMGPO-LBPRGKRZSA-N 1 0 322.246 4.369 50 0 DIAARO CC[NH+](CC)CCCCCOc1ccccc1Br ZINC000002880493 1038725053 /nfs/dbraw/zinc/72/50/53/1038725053.db2.gz JRKNIECZGDVLRZ-UHFFFAOYSA-N 1 0 314.267 4.340 50 0 DIAARO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)s1 ZINC000170060217 1040112049 /nfs/dbraw/zinc/11/20/49/1040112049.db2.gz QKTCBUHODUGECC-KKSFZXQISA-N 1 0 319.495 4.131 50 0 DIAARO CSc1ccc(NC(=O)c2ccc([C@H]3CCC[NH2+]3)s2)cc1 ZINC000023429765 1040758605 /nfs/dbraw/zinc/75/86/05/1040758605.db2.gz CPQXCJMAHUNWSH-CYBMUJFWSA-N 1 0 318.467 4.147 50 0 DIAARO Cc1cc(NCC[NH+]2CCCCC2)nc2cc(Cl)ccc12 ZINC000023550109 1040905676 /nfs/dbraw/zinc/90/56/76/1040905676.db2.gz QWVBRJBKBFPBFV-UHFFFAOYSA-N 1 0 303.837 4.094 50 0 DIAARO CN1CCCCCC[N@H+](CC2CCCCC2)[C@H]2CCC[C@H]2C1=O ZINC000257186179 1041554336 /nfs/dbraw/zinc/55/43/36/1041554336.db2.gz YOIUWCGUVVLBKL-MOPGFXCFSA-N 1 0 320.521 4.070 50 0 DIAARO CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@@H](C[NH3+])C4)s1 ZINC000299778062 1041824367 /nfs/dbraw/zinc/82/43/67/1041824367.db2.gz PXNOYXTWTSWGDP-CQSZACIVSA-N 1 0 323.417 4.033 50 0 DIAARO Cc1ccc2[nH]c(C[NH2+]C[C@@H]3COc4ccccc43)cc2c1C ZINC000585083561 1042200916 /nfs/dbraw/zinc/20/09/16/1042200916.db2.gz FRHLCICRHWBREI-OAHLLOKOSA-N 1 0 306.409 4.051 50 0 DIAARO CC1(c2ccc(F)cc2)CC([NH2+]C[C@H]2COc3ccccc32)C1 ZINC000585083671 1042201065 /nfs/dbraw/zinc/20/10/65/1042201065.db2.gz AEIDTMKFLLBJGO-JTOQLSFASA-N 1 0 311.400 4.012 50 0 DIAARO COc1ccc(CC[NH2+]CCc2ccccc2)c2ccccc12 ZINC000888096101 1042263726 /nfs/dbraw/zinc/26/37/26/1042263726.db2.gz JWMJRAUISXHMRV-UHFFFAOYSA-N 1 0 305.421 4.223 50 0 DIAARO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000239527642 1042387866 /nfs/dbraw/zinc/38/78/66/1042387866.db2.gz ATOQGYVKUHKFHI-ZOCIIQOWSA-N 1 0 314.473 4.381 50 0 DIAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000001229407 1042916260 /nfs/dbraw/zinc/91/62/60/1042916260.db2.gz JYTHHZBKYBVDOX-UHFFFAOYSA-N 1 0 308.469 4.173 50 0 DIAARO FC(F)(F)c1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191631038 1043261865 /nfs/dbraw/zinc/26/18/65/1043261865.db2.gz YSOQYMRWIXCOBL-UHFFFAOYSA-N 1 0 320.358 4.480 50 0 DIAARO CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1C ZINC000073982012 1043326071 /nfs/dbraw/zinc/32/60/71/1043326071.db2.gz RPXYOAPQWFESIY-UHFFFAOYSA-N 1 0 322.452 4.258 50 0 DIAARO Cc1ccc([C@@H]([NH2+]C[C@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000025664779 1044549598 /nfs/dbraw/zinc/54/95/98/1044549598.db2.gz WRKBIPRRSXHZAA-VXKWHMMOSA-N 1 0 317.432 4.408 50 0 DIAARO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)s1 ZINC000155255105 1044693316 /nfs/dbraw/zinc/69/33/16/1044693316.db2.gz YEDUCODJAKBUCM-AWEZNQCLSA-N 1 0 314.454 4.034 50 0 DIAARO Fc1ccc(/C=C\C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000222243711 1044767332 /nfs/dbraw/zinc/76/73/32/1044767332.db2.gz VQPITKOPASEPNM-RQOWECAXSA-N 1 0 310.416 4.189 50 0 DIAARO c1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000126744351 1044814383 /nfs/dbraw/zinc/81/43/83/1044814383.db2.gz HXLMLYKUOVLKPG-RTWAWAEBSA-N 1 0 317.436 4.361 50 0 DIAARO Cc1ccccc1C[NH2+][C@H](C)c1cnc(-c2ccncc2)nc1C ZINC000014970096 1045562427 /nfs/dbraw/zinc/56/24/27/1045562427.db2.gz JUPLYLLFDDXGFD-OAHLLOKOSA-N 1 0 318.424 4.006 50 0 DIAARO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000019952700 1045579909 /nfs/dbraw/zinc/57/99/09/1045579909.db2.gz JICTYILWHXDRCW-HNNXBMFYSA-N 1 0 315.848 4.320 50 0 DIAARO CN(Cc1cc(C[NH+]2CCCC2)cs1)Cc1ccccc1F ZINC000823715031 1050156525 /nfs/dbraw/zinc/15/65/25/1050156525.db2.gz JJNJTZLKKAWHHA-UHFFFAOYSA-N 1 0 318.461 4.115 50 0 DIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000828111408 1050471935 /nfs/dbraw/zinc/47/19/35/1050471935.db2.gz QNBLGPUQUVUZNA-VQTJNVASSA-N 1 0 320.436 4.025 50 0 DIAARO Cc1ccccc1Oc1ccccc1C[NH2+][C@@H](C)c1ccnn1C ZINC000192840193 1051012219 /nfs/dbraw/zinc/01/22/19/1051012219.db2.gz NBVBOZZZWTUWSD-INIZCTEOSA-N 1 0 321.424 4.372 50 0 DIAARO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1ncccc1O)C(C)C ZINC000952845604 1051120897 /nfs/dbraw/zinc/12/08/97/1051120897.db2.gz DACBLKDOWYCBJD-SFHVURJKSA-N 1 0 310.397 4.329 50 0 DIAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1cc(C)ccc1-n1cccn1 ZINC000952978662 1051123186 /nfs/dbraw/zinc/12/31/86/1051123186.db2.gz YXVGYOMEPFBXKR-LJQANCHMSA-N 1 0 320.440 4.159 50 0 DIAARO CC(C)Cc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)s1 ZINC000821459801 1057779113 /nfs/dbraw/zinc/77/91/13/1057779113.db2.gz GRPATXCKMFKRDD-UHFFFAOYSA-N 1 0 303.475 4.049 50 0 DIAARO COc1ccnc(C[N@@H+]2CCCC[C@@H]2CCc2cccs2)c1 ZINC001529172004 1058628234 /nfs/dbraw/zinc/62/82/34/1058628234.db2.gz CHVCTPLRSKEEOM-MRXNPFEDSA-N 1 0 316.470 4.139 50 0 DIAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2c2ncccc2Cl)cc1 ZINC001529181847 1058632467 /nfs/dbraw/zinc/63/24/67/1058632467.db2.gz QIGTWLIHFHQXOL-KRWDZBQOSA-N 1 0 315.848 4.138 50 0 DIAARO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000225413556 201704625 /nfs/dbraw/zinc/70/46/25/201704625.db2.gz ATOQGYVKUHKFHI-NIKGAXFTSA-N 1 0 314.473 4.381 50 0 DIAARO COc1cc2c(cc1OC)[C@H]1C[C@H](c3ccccc3)CC[N@@H+]1CC2 ZINC000095561611 185379927 /nfs/dbraw/zinc/37/99/27/185379927.db2.gz SPYSWTOTYSJXHH-VQIMIIECSA-N 1 0 323.436 4.181 50 0 DIAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nccc3ccsc32)C1 ZINC000328592723 231234961 /nfs/dbraw/zinc/23/49/61/231234961.db2.gz VMCMSPDJZKDULC-FMKPAKJESA-N 1 0 315.486 4.138 50 0 DIAARO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)c1ccccc1 ZINC000096954046 185393713 /nfs/dbraw/zinc/39/37/13/185393713.db2.gz QBGLFOAOTXJMSQ-KRWDZBQOSA-N 1 0 310.441 4.407 50 0 DIAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000082108832 192356957 /nfs/dbraw/zinc/35/69/57/192356957.db2.gz CCOFNABVGBPSNE-GFCCVEGCSA-N 1 0 324.255 4.107 50 0 DIAARO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccsc1 ZINC000090668037 185308893 /nfs/dbraw/zinc/30/88/93/185308893.db2.gz XIZNDGOJCJZKHV-HUUCEWRRSA-N 1 0 315.486 4.019 50 0 DIAARO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(-n2cncn2)cc1 ZINC000095419437 185359764 /nfs/dbraw/zinc/35/97/64/185359764.db2.gz XHGVELINQZDQBJ-SUMWQHHRSA-N 1 0 324.453 4.057 50 0 DIAARO Cc1cccnc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000095422103 185360797 /nfs/dbraw/zinc/36/07/97/185360797.db2.gz ATJCRCFKBSDNMG-HNNXBMFYSA-N 1 0 302.805 4.047 50 0 DIAARO CCSCC[C@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000095454569 185369730 /nfs/dbraw/zinc/36/97/30/185369730.db2.gz TYQGXPBCMGZWOE-NFOMZHRRSA-N 1 0 315.523 4.008 50 0 DIAARO CC(C)CC1(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)CC1 ZINC000095462841 185371141 /nfs/dbraw/zinc/37/11/41/185371141.db2.gz BAKAQURUVBEIRO-SFHVURJKSA-N 1 0 315.436 4.065 50 0 DIAARO Cc1ccc([C@H](C[NH2+][C@@H](C)CSC(C)(C)C)N2CCCC2)o1 ZINC000097016741 185397463 /nfs/dbraw/zinc/39/74/63/185397463.db2.gz GQVIHCFILKMKMY-HOCLYGCPSA-N 1 0 324.534 4.235 50 0 DIAARO CC(C)(CC1CCCCCC1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000170602250 197785110 /nfs/dbraw/zinc/78/51/10/197785110.db2.gz NTXZYDWACKXELK-UHFFFAOYSA-N 1 0 302.462 4.014 50 0 DIAARO Clc1ccc([C@@H]2CN(c3cc[nH+]c4ccccc43)CCO2)cc1 ZINC000071754442 191024403 /nfs/dbraw/zinc/02/44/03/191024403.db2.gz QUDWVKHCLCJSED-IBGZPJMESA-N 1 0 324.811 4.466 50 0 DIAARO Clc1ccc([C@H]2CN(c3cc[nH+]c4ccccc43)CCO2)cc1 ZINC000071754443 191024844 /nfs/dbraw/zinc/02/48/44/191024844.db2.gz QUDWVKHCLCJSED-LJQANCHMSA-N 1 0 324.811 4.466 50 0 DIAARO COc1ccc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000071770117 191030223 /nfs/dbraw/zinc/03/02/23/191030223.db2.gz ONWKXRQPNJSRNF-LPHOPBHVSA-N 1 0 302.462 4.152 50 0 DIAARO Fc1ccc(CC[C@H]2CCC[N@H+](CCc3ccccn3)C2)cc1 ZINC000072121784 191040607 /nfs/dbraw/zinc/04/06/07/191040607.db2.gz VJVKFAVFQLEPAZ-GOSISDBHSA-N 1 0 312.432 4.108 50 0 DIAARO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2c(C)noc2C)c1 ZINC000072133084 191044542 /nfs/dbraw/zinc/04/45/42/191044542.db2.gz YQYWMWAPOVWJLH-SFHVURJKSA-N 1 0 300.402 4.027 50 0 DIAARO Cc1ccccc1CC[C@H]1CCC[N@H+](Cc2cncn2C2CC2)C1 ZINC000072146377 191053194 /nfs/dbraw/zinc/05/31/94/191053194.db2.gz WEKDQPOPAQZWLO-GOSISDBHSA-N 1 0 323.484 4.371 50 0 DIAARO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cc(-c3ccccn3)no2)cc1 ZINC000072149257 191054646 /nfs/dbraw/zinc/05/46/46/191054646.db2.gz PJEKROCXZMQLTG-LJQANCHMSA-N 1 0 323.371 4.213 50 0 DIAARO c1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)s2)n[nH]1 ZINC000072156869 191060576 /nfs/dbraw/zinc/06/05/76/191060576.db2.gz NNXFPSQWMYNLOI-QGZVFWFLSA-N 1 0 324.453 4.260 50 0 DIAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000072170446 191068486 /nfs/dbraw/zinc/06/84/86/191068486.db2.gz LZQJVRJEMZMFAA-LJQANCHMSA-N 1 0 309.388 4.348 50 0 DIAARO C[NH+](C)[C@H](Cn1ccnc1-c1ccoc1)c1ccccc1Cl ZINC000072417828 191154973 /nfs/dbraw/zinc/15/49/73/191154973.db2.gz UEFJQNIXIDKUOW-MRXNPFEDSA-N 1 0 315.804 4.099 50 0 DIAARO COC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(C)cc23)cc1 ZINC000000076997 180685537 /nfs/dbraw/zinc/68/55/37/180685537.db2.gz MXDIMMDFTKZLJC-UHFFFAOYSA-N 1 0 306.365 4.382 50 0 DIAARO O=C(CCc1ccccc1)[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072472950 191176155 /nfs/dbraw/zinc/17/61/55/191176155.db2.gz YXRRZVOYFBTKHT-QGZVFWFLSA-N 1 0 313.466 4.162 50 0 DIAARO C[NH+](C)CCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000001592053 180876172 /nfs/dbraw/zinc/87/61/72/180876172.db2.gz YVXDVQJWLGIVOL-UHFFFAOYSA-N 1 0 321.505 4.357 50 0 DIAARO CC(C)(C)c1ccccc1OCCOCC[NH+]1CCCCCC1 ZINC000002824156 180961993 /nfs/dbraw/zinc/96/19/93/180961993.db2.gz PATQZWQCQOLOBF-UHFFFAOYSA-N 1 0 319.489 4.256 50 0 DIAARO CCOc1ccccc1OCCCCCC[NH2+]Cc1ccco1 ZINC000003247113 180995528 /nfs/dbraw/zinc/99/55/28/180995528.db2.gz DPEGLGFTKYKHPU-UHFFFAOYSA-N 1 0 317.429 4.407 50 0 DIAARO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N+]#N ZINC000003861466 181050215 /nfs/dbraw/zinc/05/02/15/181050215.db2.gz DKPBKNZQVUOHRQ-UHFFFAOYSA-O 1 0 312.349 4.221 50 0 DIAARO C[C@H]([NH2+]Cc1nc2ccccc2n1C)C12CC3CC(CC(C3)C1)C2 ZINC000003877090 181051644 /nfs/dbraw/zinc/05/16/44/181051644.db2.gz NBYVHZCBQXBVFZ-HILYYZTDSA-N 1 0 323.484 4.268 50 0 DIAARO [NH2+]=C(COc1ccc(Cl)c(Cl)c1)NC1CCCCC1 ZINC000004015686 181063242 /nfs/dbraw/zinc/06/32/42/181063242.db2.gz VPJXMKAYAPVWDP-UHFFFAOYSA-N 1 0 301.217 4.272 50 0 DIAARO CCCCCO[P@@](C)(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004026828 181063324 /nfs/dbraw/zinc/06/33/24/181063324.db2.gz OBQHAFZZMZRBHR-GCKMJXCFSA-N 1 0 317.410 4.297 50 0 biogenic DIAARO Cc1cc(C)c(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000004024717 181063775 /nfs/dbraw/zinc/06/37/75/181063775.db2.gz XKNGNLUBHDCEQV-ZWKOTPCHSA-N 1 0 315.457 4.033 50 0 biogenic DIAARO C[NH+](C)Cc1c(C=O)c(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000004015315 181062739 /nfs/dbraw/zinc/06/27/39/181062739.db2.gz QLQSLYJKGXHJMZ-UHFFFAOYSA-N 1 0 304.393 4.223 50 0 DIAARO Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000004123477 181076816 /nfs/dbraw/zinc/07/68/16/181076816.db2.gz ZDKFSRSOBMBSMR-FQEVSTJZSA-N 1 0 305.425 4.447 50 0 DIAARO O[C@@](CCc1ccccc1)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000004141806 181078784 /nfs/dbraw/zinc/07/87/84/181078784.db2.gz GQPXHWUIIKRGPJ-QFIPXVFZSA-N 1 0 323.480 4.383 50 0 DIAARO c1ccc(-c2cc(NCC[NH+]3CCCC3)c3ccccc3n2)cc1 ZINC000004541734 181122061 /nfs/dbraw/zinc/12/20/61/181122061.db2.gz OFJOGASATYCYAV-UHFFFAOYSA-N 1 0 317.436 4.410 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccc(C(C)C)cc2)cc1OC ZINC000004700428 181139108 /nfs/dbraw/zinc/13/91/08/181139108.db2.gz YYDJWBFVFMPXMZ-UHFFFAOYSA-N 1 0 313.441 4.160 50 0 DIAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(F)cc3F)n2C)cc1 ZINC000004678529 181135893 /nfs/dbraw/zinc/13/58/93/181135893.db2.gz YLOVZTLBHWHYAT-UHFFFAOYSA-N 1 0 313.351 4.286 50 0 DIAARO COCCC[NH2+]CCCCOc1cc(C)ccc1C(C)(C)C ZINC000004845234 181162658 /nfs/dbraw/zinc/16/26/58/181162658.db2.gz GFMKDMLGSHHQHS-UHFFFAOYSA-N 1 0 307.478 4.078 50 0 DIAARO COc1ccccc1C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000004891780 181168351 /nfs/dbraw/zinc/16/83/51/181168351.db2.gz BVTVXDNDPDQCNL-UHFFFAOYSA-N 1 0 307.393 4.147 50 0 DIAARO COc1ccc(OC)c(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000004923587 181173879 /nfs/dbraw/zinc/17/38/79/181173879.db2.gz XNLOWBUSWAIMQM-UHFFFAOYSA-N 1 0 320.392 4.484 50 0 DIAARO COc1ccc(C[NH+]2CCCCCCC2)cc1Br ZINC000004978350 181183532 /nfs/dbraw/zinc/18/35/32/181183532.db2.gz MEGBDRZEYIIHGQ-UHFFFAOYSA-N 1 0 312.251 4.224 50 0 DIAARO COc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1OC ZINC000004985615 181184955 /nfs/dbraw/zinc/18/49/55/181184955.db2.gz QDIQZVMFTAJSOO-UHFFFAOYSA-N 1 0 321.420 4.489 50 0 DIAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000005008147 181189857 /nfs/dbraw/zinc/18/98/57/181189857.db2.gz BIWOHGQOCMGKSL-FKBYEOEOSA-N 1 0 321.464 4.339 50 0 DIAARO Cc1cc(C(c2ccc(N)cc2)=C2C=CC(=[NH2+])C=C2)ccc1N ZINC000005138592 181208825 /nfs/dbraw/zinc/20/88/25/181208825.db2.gz WVYMEHMNEMRCEL-UHFFFAOYSA-N 1 0 301.393 4.107 50 0 in-man DIAARO C[C@H]([NH2+]C1(c2ccccc2)CCCC1)[C@H]1COc2ccccc2O1 ZINC000005254753 181222360 /nfs/dbraw/zinc/22/23/60/181222360.db2.gz ZNSMSWDLNQNJIQ-OXJNMPFZSA-N 1 0 323.436 4.274 50 0 DIAARO Cc1cc(C)c(NC(=O)CC[N@@H+](C)CC2CCC2)c(Cl)c1 ZINC000244852487 202503753 /nfs/dbraw/zinc/50/37/53/202503753.db2.gz UTIYBEUDKMTHOM-UHFFFAOYSA-N 1 0 308.853 4.017 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@@H](C1CCCCC1)[NH2+]CC2 ZINC000006595649 181359439 /nfs/dbraw/zinc/35/94/39/181359439.db2.gz XOUHJVHSCZPGNA-LJQANCHMSA-N 1 0 303.446 4.251 50 0 DIAARO CCOc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OC(F)F ZINC000006600868 181359632 /nfs/dbraw/zinc/35/96/32/181359632.db2.gz HDXIQRNHMOBNGD-UHFFFAOYSA-N 1 0 321.367 4.285 50 0 DIAARO CC(C)[C@@H](CC[NH2+]C1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000006670269 181368789 /nfs/dbraw/zinc/36/87/89/181368789.db2.gz VGJCPUJNUJHWDU-GOSISDBHSA-N 1 0 308.897 4.154 50 0 DIAARO COc1cc(C[NH2+]C2CCC(C(C)(C)C)CC2)cc(OC)c1 ZINC000006761715 181384682 /nfs/dbraw/zinc/38/46/82/181384682.db2.gz BUFZYPGXURBIOB-UHFFFAOYSA-N 1 0 305.462 4.398 50 0 DIAARO CC(C)c1ccc(NC(=O)[C@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000007043381 181433771 /nfs/dbraw/zinc/43/37/71/181433771.db2.gz IGPXYDIIFGZSJT-HNNXBMFYSA-N 1 0 302.462 4.449 50 0 DIAARO CCn1nc(C)c([C@@H](C)[NH2+]CCc2c[nH]c3cc(C)ccc23)c1C ZINC000095967570 193464117 /nfs/dbraw/zinc/46/41/17/193464117.db2.gz GUUHHCCTMORQFJ-CQSZACIVSA-N 1 0 324.472 4.203 50 0 DIAARO Cc1noc(C)c1CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000095969131 193466249 /nfs/dbraw/zinc/46/62/49/193466249.db2.gz ZHJRLHNEVOUQKL-INIZCTEOSA-N 1 0 302.443 4.051 50 0 DIAARO Cc1nc2cc(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)cnc2[nH]1 ZINC000096165794 193559321 /nfs/dbraw/zinc/55/93/21/193559321.db2.gz ZAPCELNMINSXBE-CYBMUJFWSA-N 1 0 306.413 4.090 50 0 DIAARO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009516832 181626445 /nfs/dbraw/zinc/62/64/45/181626445.db2.gz BPOLBYLBIPESAE-RDTXWAMCSA-N 1 0 314.404 4.284 50 0 DIAARO C[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc2ccccc21 ZINC000016634147 182054579 /nfs/dbraw/zinc/05/45/79/182054579.db2.gz GZXXZDKCSLGLBC-UHFFFAOYSA-N 1 0 322.383 4.049 50 0 DIAARO C[C@]12CCCC(=O)[C@@H]1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000017111953 182075652 /nfs/dbraw/zinc/07/56/52/182075652.db2.gz XCTUOBOQUJSQJX-NCYKPQTJSA-N 1 0 305.421 4.448 50 0 DIAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3C)c(C)o2)c(F)c1 ZINC000019111063 182104618 /nfs/dbraw/zinc/10/46/18/182104618.db2.gz LVHPSMPBWGAMAQ-LBPRGKRZSA-N 1 0 318.392 4.172 50 0 DIAARO CC(C)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019359520 182118580 /nfs/dbraw/zinc/11/85/80/182118580.db2.gz FUEQIGHEMLEGLS-UHFFFAOYSA-N 1 0 308.469 4.128 50 0 DIAARO COc1cccc(CC[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000019720875 182138142 /nfs/dbraw/zinc/13/81/42/182138142.db2.gz HVPURIZOUMDNRB-UHFFFAOYSA-N 1 0 309.331 4.046 50 0 DIAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000019788252 182148612 /nfs/dbraw/zinc/14/86/12/182148612.db2.gz CCQYDTDTHNYNAO-MAUKXSAKSA-N 1 0 306.881 4.036 50 0 DIAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000019788359 182149259 /nfs/dbraw/zinc/14/92/59/182149259.db2.gz AORKJOSATZXBRX-RDJZCZTQSA-N 1 0 306.881 4.036 50 0 DIAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019792508 182149714 /nfs/dbraw/zinc/14/97/14/182149714.db2.gz HRXCKJQKTGGVOT-INIZCTEOSA-N 1 0 315.436 4.127 50 0 DIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(Cl)cc1 ZINC000019798376 182150603 /nfs/dbraw/zinc/15/06/03/182150603.db2.gz RYQSSFYKOIWPCP-KRWDZBQOSA-N 1 0 312.800 4.065 50 0 biogenic DIAARO FC(F)(F)c1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019798364 182151214 /nfs/dbraw/zinc/15/12/14/182151214.db2.gz MECNATMMNGQQES-MRXNPFEDSA-N 1 0 316.326 4.422 50 0 DIAARO C[C@@H]1CCC[C@H](N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)C1 ZINC000019831700 182155115 /nfs/dbraw/zinc/15/51/15/182155115.db2.gz IJNUPCMESUBVMN-CRXUISOOSA-N 1 0 316.533 4.007 50 0 DIAARO C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@H](O)c1ccccc1 ZINC000019872188 182158792 /nfs/dbraw/zinc/15/87/92/182158792.db2.gz AIIOQSJZJUEIIZ-BZNIZROVSA-N 1 0 310.224 4.205 50 0 DIAARO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@@H](O)c1ccccc1 ZINC000019872192 182159039 /nfs/dbraw/zinc/15/90/39/182159039.db2.gz JHYSENDMFUMZPU-BDJLRTHQSA-N 1 0 310.224 4.205 50 0 DIAARO C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000019872184 182159350 /nfs/dbraw/zinc/15/93/50/182159350.db2.gz AIIOQSJZJUEIIZ-BDJLRTHQSA-N 1 0 310.224 4.205 50 0 DIAARO C[C@H]1C[NH+](CCCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000020168472 182194630 /nfs/dbraw/zinc/19/46/30/182194630.db2.gz XTAGUVIWDFNXPH-KBPBESRZSA-N 1 0 313.894 4.322 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(Br)cc1 ZINC000020127542 182190074 /nfs/dbraw/zinc/19/00/74/182190074.db2.gz JWRVWFSOKODUGN-NEPJUHHUSA-N 1 0 305.219 4.256 50 0 DIAARO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)Cc2ccc(Cl)cc2)n1 ZINC000020515141 182226462 /nfs/dbraw/zinc/22/64/62/182226462.db2.gz UXVQOURBLIWGRB-VXGBXAGGSA-N 1 0 307.825 4.128 50 0 DIAARO CC(C)CC[C@H](CC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000020573568 182234309 /nfs/dbraw/zinc/23/43/09/182234309.db2.gz CKZXYKDYTTZJGL-GOSISDBHSA-N 1 0 322.924 4.497 50 0 DIAARO Fc1cc(F)cc(CC[N@@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000020598094 182236281 /nfs/dbraw/zinc/23/62/81/182236281.db2.gz GFGOBANQJINKTG-GOSISDBHSA-N 1 0 302.368 4.130 50 0 DIAARO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1c(C)noc1CC ZINC000021720902 182285985 /nfs/dbraw/zinc/28/59/85/182285985.db2.gz MWELTVPWGHPLRR-INIZCTEOSA-N 1 0 314.429 4.281 50 0 DIAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021720498 182286376 /nfs/dbraw/zinc/28/63/76/182286376.db2.gz GYNOSSRIRDSULN-KRWDZBQOSA-N 1 0 300.402 4.027 50 0 DIAARO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc(OC)c1 ZINC000021789628 182289171 /nfs/dbraw/zinc/28/91/71/182289171.db2.gz AEFREVAQGMOMKV-LBPRGKRZSA-N 1 0 305.805 4.208 50 0 DIAARO C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000022240946 182315270 /nfs/dbraw/zinc/31/52/70/182315270.db2.gz SBDDVTFBHZDRAG-UHFFFAOYSA-N 1 0 317.392 4.226 50 0 DIAARO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CCCCC1 ZINC000022197568 182312824 /nfs/dbraw/zinc/31/28/24/182312824.db2.gz VECCWQNTKAJQAK-UHFFFAOYSA-N 1 0 312.816 4.072 50 0 DIAARO CCC[N@@H+](Cc1coc2ccc(Cl)cc2c1=O)CC1CC1 ZINC000023281600 182355669 /nfs/dbraw/zinc/35/56/69/182355669.db2.gz STWHYLRGCBFYTJ-UHFFFAOYSA-N 1 0 305.805 4.068 50 0 DIAARO COc1ccccc1C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000023280414 182355952 /nfs/dbraw/zinc/35/59/52/182355952.db2.gz JAWNGBTVCMDOHL-ZDUSSCGKSA-N 1 0 323.358 4.435 50 0 DIAARO c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)n2)cc1 ZINC000023340556 182357505 /nfs/dbraw/zinc/35/75/05/182357505.db2.gz SUNCVSDWOKKGEM-SFHVURJKSA-N 1 0 319.408 4.116 50 0 DIAARO c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000023340553 182357742 /nfs/dbraw/zinc/35/77/42/182357742.db2.gz SUNCVSDWOKKGEM-GOSISDBHSA-N 1 0 319.408 4.116 50 0 DIAARO c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000024081587 182374913 /nfs/dbraw/zinc/37/49/13/182374913.db2.gz NZVUDFDNJSEDBR-OAQYLSRUSA-N 1 0 317.436 4.099 50 0 DIAARO NC(=[NH2+])Sc1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000026422284 182440871 /nfs/dbraw/zinc/44/08/71/182440871.db2.gz ZLXLWKUWAMEGSR-UHFFFAOYSA-N 1 0 301.802 4.474 50 0 DIAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018618 182688606 /nfs/dbraw/zinc/68/86/06/182688606.db2.gz RAVINFUCCKVWDG-UHFFFAOYSA-N 1 0 307.393 4.124 50 0 DIAARO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c1OC ZINC000040007513 183027780 /nfs/dbraw/zinc/02/77/80/183027780.db2.gz RORIPQZPHLKCDV-ZDUSSCGKSA-N 1 0 303.377 4.036 50 0 DIAARO Cc1ccsc1CN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039408732 183018930 /nfs/dbraw/zinc/01/89/30/183018930.db2.gz LNYKFDYVUPKCTB-MJGOQNOKSA-N 1 0 318.530 4.285 50 0 DIAARO CC(C)(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000040088603 183033022 /nfs/dbraw/zinc/03/30/22/183033022.db2.gz UIMQVTQYGDWWAD-GOSISDBHSA-N 1 0 319.395 4.086 50 0 DIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)cc1C)CC(C)C ZINC000040103542 183034967 /nfs/dbraw/zinc/03/49/67/183034967.db2.gz DULULSBVESGHNZ-INIZCTEOSA-N 1 0 323.456 4.012 50 0 DIAARO Cc1cc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c(C)c1Cl ZINC000042773706 183306649 /nfs/dbraw/zinc/30/66/49/183306649.db2.gz XHEDULLYAGTNIJ-GFCCVEGCSA-N 1 0 302.245 4.379 50 0 DIAARO Clc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042772926 183307209 /nfs/dbraw/zinc/30/72/09/183307209.db2.gz FCZDRDDIGFLXLG-NSHDSACASA-N 1 0 318.642 4.014 50 0 DIAARO CC(C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000043630150 183376250 /nfs/dbraw/zinc/37/62/50/183376250.db2.gz SAIKXVUDVVMGCI-UHFFFAOYSA-N 1 0 322.861 4.286 50 0 DIAARO c1ccc([C@@H]2C[N@@H+](Cc3cccnc3)Cc3ccccc32)cc1 ZINC000043670548 183378363 /nfs/dbraw/zinc/37/83/63/183378363.db2.gz YXEFCMBKCLLCHG-NRFANRHFSA-N 1 0 300.405 4.229 50 0 DIAARO CCCCc1cn(C2CC[NH+]([C@@H]3CCCC(C)(C)C3)CC2)nn1 ZINC000048214459 183627352 /nfs/dbraw/zinc/62/73/52/183627352.db2.gz NBFOEVOVYYTLQT-GOSISDBHSA-N 1 0 318.509 4.226 50 0 DIAARO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1C ZINC000057877223 184060128 /nfs/dbraw/zinc/06/01/28/184060128.db2.gz SVAYMCZZWPVRCY-AWEZNQCLSA-N 1 0 316.832 4.246 50 0 DIAARO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(F)c2)cc1)C(C)C ZINC000058244675 184093915 /nfs/dbraw/zinc/09/39/15/184093915.db2.gz PEEUFWFFGLRUNH-UHFFFAOYSA-N 1 0 314.404 4.308 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H](C)C3CC3)c2cc1C(C)C ZINC000058394077 184112616 /nfs/dbraw/zinc/11/26/16/184112616.db2.gz TZWLATPMIYYXJE-AWEZNQCLSA-N 1 0 313.441 4.455 50 0 DIAARO Cc1ncc(C[N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)s1 ZINC000064007211 184291658 /nfs/dbraw/zinc/29/16/58/184291658.db2.gz NPERFXIWQQZBNW-KRWDZBQOSA-N 1 0 315.486 4.145 50 0 DIAARO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCCCCCC1)c1ccccc1 ZINC000064938801 184306835 /nfs/dbraw/zinc/30/68/35/184306835.db2.gz YSGQFGKEAWYDDJ-LJQANCHMSA-N 1 0 316.489 4.156 50 0 DIAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065394943 184334381 /nfs/dbraw/zinc/33/43/81/184334381.db2.gz IVZZYSVXVCHVEZ-INIZCTEOSA-N 1 0 303.409 4.337 50 0 DIAARO CO[C@H](C)c1ccc(-c2ccc(C[NH+]3CCCCC3)cn2)cc1 ZINC000065384186 184332872 /nfs/dbraw/zinc/33/28/72/184332872.db2.gz BSQIXCXZCLICNI-MRXNPFEDSA-N 1 0 310.441 4.442 50 0 DIAARO c1cc(-c2c(-c3ccccc3)ncn2CC[NH+]2CCCCC2)co1 ZINC000065399395 184336259 /nfs/dbraw/zinc/33/62/59/184336259.db2.gz WKGLWSIIWNZOGJ-UHFFFAOYSA-N 1 0 321.424 4.296 50 0 DIAARO CC(=O)c1ccc(C[N@@H+](C)Cc2cccc3cnccc32)cc1 ZINC000065500620 184355480 /nfs/dbraw/zinc/35/54/80/184355480.db2.gz XEVFOUMLNRKOCT-UHFFFAOYSA-N 1 0 304.393 4.069 50 0 DIAARO Fc1ccccc1Oc1cc(C[NH2+]Cc2ccsc2)ccn1 ZINC000362960460 257235963 /nfs/dbraw/zinc/23/59/63/257235963.db2.gz NUYIDYZGJGSWRD-UHFFFAOYSA-N 1 0 314.385 4.364 50 0 DIAARO Cc1c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)cnn1C(F)F ZINC000426728124 257243216 /nfs/dbraw/zinc/24/32/16/257243216.db2.gz BHVWYAQQQMXLIG-GFCCVEGCSA-N 1 0 305.372 4.410 50 0 DIAARO Cc1nc2c(c(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)n1)CCC2 ZINC000426511981 257247625 /nfs/dbraw/zinc/24/76/25/257247625.db2.gz CIHMRPSCNBVTME-CQSZACIVSA-N 1 0 307.441 4.098 50 0 DIAARO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccn2)c2ccccc2)CCO1 ZINC000408514145 257256077 /nfs/dbraw/zinc/25/60/77/257256077.db2.gz HAWSCTVRCKYSRB-HBMCJLEFSA-N 1 0 324.468 4.159 50 0 DIAARO CC[C@@H](C[NH2+][C@H]1CCCO[C@@H]1c1ccncc1)c1ccccc1 ZINC000408514225 257256221 /nfs/dbraw/zinc/25/62/21/257256221.db2.gz UFSNSDHIVKGRJY-FFZOFVMBSA-N 1 0 310.441 4.085 50 0 DIAARO CC[C@H](C[NH2+][C@H]1CCCO[C@@H]1c1ccncc1)c1ccccc1 ZINC000408514226 257256512 /nfs/dbraw/zinc/25/65/12/257256512.db2.gz UFSNSDHIVKGRJY-LSTHTHJFSA-N 1 0 310.441 4.085 50 0 DIAARO CC[C@@H]1C[C@H](C[N@@H+]2CCCCC[C@H]2c2ccncc2)CCO1 ZINC000252511455 257258294 /nfs/dbraw/zinc/25/82/94/257258294.db2.gz GYZBBVXEBJAFNE-QRQLOZEOSA-N 1 0 302.462 4.204 50 0 DIAARO Cc1ccccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019536795 134533325 /nfs/dbraw/zinc/53/33/25/134533325.db2.gz ARWQVLAPMQHGGL-UHFFFAOYSA-N 1 0 316.448 4.470 50 0 DIAARO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000006416433 336383506 /nfs/dbraw/zinc/38/35/06/336383506.db2.gz PLDURCBEFFSVNI-CQSZACIVSA-N 1 0 303.833 4.112 50 0 DIAARO COc1ccccc1CC[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000005005587 338006160 /nfs/dbraw/zinc/00/61/60/338006160.db2.gz YZOUXMPBNNGXKA-UHFFFAOYSA-N 1 0 321.420 4.189 50 0 DIAARO c1ccc(C[NH+]2CCC(Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000005589605 338011401 /nfs/dbraw/zinc/01/14/01/338011401.db2.gz KMSDSQXDJKUOJQ-UHFFFAOYSA-N 1 0 306.453 4.252 50 0 DIAARO Cc1noc(C)c1C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000080916372 341276649 /nfs/dbraw/zinc/27/66/49/341276649.db2.gz HIZGPQBKJRLGNX-UHFFFAOYSA-N 1 0 321.424 4.370 50 0 DIAARO CCC[C@H](C)C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055270568 563473425 /nfs/dbraw/zinc/47/34/25/563473425.db2.gz QTMOMSKNOVUMIB-HNNXBMFYSA-N 1 0 304.482 4.009 50 0 DIAARO c1ccc2c(c1)[nH+]c1c(c2Nc2ccc3c(c2)OCCO3)CCC1 ZINC000000122843 563220547 /nfs/dbraw/zinc/22/05/47/563220547.db2.gz PDTBHOPGDSOFNR-UHFFFAOYSA-N 1 0 318.376 4.238 50 0 DIAARO COc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000000183664 563228466 /nfs/dbraw/zinc/22/84/66/563228466.db2.gz UKLQDVAMCDQMPL-RISCZKNCSA-N 1 0 312.251 4.126 50 0 DIAARO CC(C)=CCC[C@@H](C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000000214466 563231090 /nfs/dbraw/zinc/23/10/90/563231090.db2.gz WBTOYJQHYYBOHL-QGZVFWFLSA-N 1 0 304.453 4.330 50 0 DIAARO C=C(c1ccccc1)[n+]1ccc(/C=C/c2cccc(O)c2)cc1 ZINC000001199253 563279131 /nfs/dbraw/zinc/27/91/31/563279131.db2.gz YMHTXEDYWONGGJ-ZHACJKMWSA-O 1 0 300.381 4.369 50 0 DIAARO C[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000001530637 563284812 /nfs/dbraw/zinc/28/48/12/563284812.db2.gz RTHCYVBBDHJXIQ-INIZCTEOSA-N 1 0 309.331 4.435 50 0 biogenic,fda DIAARO C[NH2+]CC[C@H](Oc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000002506697 563305386 /nfs/dbraw/zinc/30/53/86/563305386.db2.gz OWRFQEWHKCKNEN-INIZCTEOSA-N 1 0 309.331 4.435 50 0 in-vitro DIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1F ZINC000002514582 563305499 /nfs/dbraw/zinc/30/54/99/563305499.db2.gz LXSJUYFRKPWMPD-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO CCn1c2ccccc2c2cc(C[NH2+]C[C@@H]3CCCO3)ccc21 ZINC000002545036 563308461 /nfs/dbraw/zinc/30/84/61/563308461.db2.gz XBUPRSWJADEZNF-INIZCTEOSA-N 1 0 308.425 4.083 50 0 DIAARO CCCC[NH2+]CCCOc1ccc(OCc2ccccc2)cc1 ZINC000003001743 563320648 /nfs/dbraw/zinc/32/06/48/563320648.db2.gz WAKVOJWTLVIREH-UHFFFAOYSA-N 1 0 313.441 4.424 50 0 DIAARO C[C@@H](C[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000004980564 563328196 /nfs/dbraw/zinc/32/81/96/563328196.db2.gz IQSBLKYGLFGAAX-INIZCTEOSA-N 1 0 314.860 4.266 50 0 DIAARO CCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002190282 563329734 /nfs/dbraw/zinc/32/97/34/563329734.db2.gz LLLKFHBUBLEWAT-KRWDZBQOSA-N 1 0 302.462 4.205 50 0 DIAARO CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000007262357 563337234 /nfs/dbraw/zinc/33/72/34/563337234.db2.gz DMEKZSYMJDVOOV-UHFFFAOYSA-N 1 0 319.832 4.427 50 0 DIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(CC)cc2c1=O ZINC000008714141 563349432 /nfs/dbraw/zinc/34/94/32/563349432.db2.gz JDFYOMFSESQBII-UHFFFAOYSA-N 1 0 300.446 4.433 50 0 DIAARO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010332165 563356108 /nfs/dbraw/zinc/35/61/08/563356108.db2.gz XBHZHAHEJIPISC-UHFFFAOYSA-N 1 0 308.425 4.233 50 0 DIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000011951824 563361151 /nfs/dbraw/zinc/36/11/51/563361151.db2.gz JBPDRVHTSPXTOM-GOSISDBHSA-N 1 0 319.448 4.243 50 0 DIAARO CSCC[NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012300644 563365425 /nfs/dbraw/zinc/36/54/25/563365425.db2.gz KWONVCHUQWIEMF-UHFFFAOYSA-N 1 0 323.465 4.196 50 0 DIAARO Fc1cccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1F ZINC000012304459 563366077 /nfs/dbraw/zinc/36/60/77/563366077.db2.gz SSGBKOJNBCAZLE-INIZCTEOSA-N 1 0 302.368 4.041 50 0 DIAARO COc1cccc(C[NH2+]C2CCC(C(C)(C)C)CC2)c1OC ZINC000012381371 563367826 /nfs/dbraw/zinc/36/78/26/563367826.db2.gz RDSZWLOTNXQIOE-UHFFFAOYSA-N 1 0 305.462 4.398 50 0 DIAARO Cc1cccc(-n2cc(C[NH+](C)C)c(-c3cccc(F)c3)n2)c1 ZINC000012431823 563368937 /nfs/dbraw/zinc/36/89/37/563368937.db2.gz BZHHFIHKNJYJEP-UHFFFAOYSA-N 1 0 309.388 4.048 50 0 DIAARO c1ccc(N[C@@H]2CCC[N@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000012430362 563369277 /nfs/dbraw/zinc/36/92/77/563369277.db2.gz PVRFFJIMHKPIPA-SGRZJPDBSA-N 1 0 310.485 4.388 50 0 DIAARO c1ccc(N[C@H]2CCC[N@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000012430363 563369299 /nfs/dbraw/zinc/36/92/99/563369299.db2.gz PVRFFJIMHKPIPA-PIIHOCENSA-N 1 0 310.485 4.388 50 0 DIAARO CCc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@@H]3C)c2cc1Cl ZINC000032652308 563375562 /nfs/dbraw/zinc/37/55/62/563375562.db2.gz OBMVSYKIKVNXGQ-LBPRGKRZSA-N 1 0 319.832 4.383 50 0 DIAARO CCc1cccc(CC)c1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000013323075 563380707 /nfs/dbraw/zinc/38/07/07/563380707.db2.gz KXXBWCXCWAFASF-UHFFFAOYSA-N 1 0 302.462 4.014 50 0 DIAARO COCC[N@H+](Cc1nc(-c2ccc(Cl)cc2)oc1C)C(C)C ZINC000014975400 563404197 /nfs/dbraw/zinc/40/41/97/563404197.db2.gz CLWVTYRRQMJGFA-UHFFFAOYSA-N 1 0 322.836 4.160 50 0 DIAARO CC(C)(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000014991683 563404290 /nfs/dbraw/zinc/40/42/90/563404290.db2.gz DDLVEEQRESXMPF-HNNXBMFYSA-N 1 0 315.436 4.441 50 0 DIAARO O=C(Nc1ccc(Cl)cc1)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000015240426 563408224 /nfs/dbraw/zinc/40/82/24/563408224.db2.gz GRDMMPXVOYPCJQ-CJNGLKHVSA-N 1 0 322.836 4.153 50 0 biogenic DIAARO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000015310111 563409180 /nfs/dbraw/zinc/40/91/80/563409180.db2.gz UVLHJJBBKHXQLK-LJQANCHMSA-N 1 0 323.436 4.493 50 0 DIAARO Cc1ccsc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019537188 563416436 /nfs/dbraw/zinc/41/64/36/563416436.db2.gz MBXDNLYBGACORU-UHFFFAOYSA-N 1 0 306.862 4.032 50 0 DIAARO CC(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582731 563428707 /nfs/dbraw/zinc/42/87/07/563428707.db2.gz DOWBWNNUHMWDAY-KRWDZBQOSA-N 1 0 322.880 4.029 50 0 DIAARO CCC(CC)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027741426 563429198 /nfs/dbraw/zinc/42/91/98/563429198.db2.gz ZQCUJOPBAIQSMF-MRXNPFEDSA-N 1 0 322.518 4.218 50 0 DIAARO Cc1ccc([C@H](CNC(=O)CC(C)C)[NH+]2CCCCCC2)cc1 ZINC000027664379 563429498 /nfs/dbraw/zinc/42/94/98/563429498.db2.gz XIASEDNBTGOJFU-IBGZPJMESA-N 1 0 316.489 4.074 50 0 DIAARO Cc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1F ZINC000070160123 563438937 /nfs/dbraw/zinc/43/89/37/563438937.db2.gz BNPAWWPGAIOYIK-UHFFFAOYSA-N 1 0 308.194 4.186 50 0 DIAARO c1csc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCC4)c1 ZINC000032919306 563443936 /nfs/dbraw/zinc/44/39/36/563443936.db2.gz HXWQTTOWNKEGJJ-INIZCTEOSA-N 1 0 312.463 4.282 50 0 DIAARO C[NH+](C)Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000047452658 563466114 /nfs/dbraw/zinc/46/61/14/563466114.db2.gz JOBMMUWJHLRXCZ-UHFFFAOYSA-N 1 0 322.330 4.019 50 0 in-vitro DIAARO CC(C)[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000052537267 563468732 /nfs/dbraw/zinc/46/87/32/563468732.db2.gz LBBWWBVVWSGTKL-NRFANRHFSA-N 1 0 308.469 4.029 50 0 DIAARO CCC[C@@H](C)C[NH+]1CCC(n2cc(-c3ccccc3)nn2)CC1 ZINC000055089391 563471188 /nfs/dbraw/zinc/47/11/88/563471188.db2.gz BDIPXEPENWNUES-MRXNPFEDSA-N 1 0 312.461 4.018 50 0 DIAARO FC(F)(F)CCC[N@@H+](Cc1ccsc1)C[C@H]1CCCO1 ZINC000055183146 563472073 /nfs/dbraw/zinc/47/20/73/563472073.db2.gz VLKUXFMSEDWAHJ-CYBMUJFWSA-N 1 0 307.381 4.072 50 0 DIAARO Cc1ccsc1C[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055310057 563473431 /nfs/dbraw/zinc/47/34/31/563473431.db2.gz UISHKAUNSYKSSQ-UHFFFAOYSA-N 1 0 315.417 4.218 50 0 DIAARO C/C(=C\c1ccco1)CN(CC[NH+](C)C)Cc1sccc1C ZINC000055281751 563473685 /nfs/dbraw/zinc/47/36/85/563473685.db2.gz MCJRLQPZCOYTKJ-NTCAYCPXSA-N 1 0 318.486 4.117 50 0 DIAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cnc3ccccc3c2)c1 ZINC000055309253 563473857 /nfs/dbraw/zinc/47/38/57/563473857.db2.gz ZCENNSUXWOCTPC-MRXNPFEDSA-N 1 0 305.425 4.001 50 0 DIAARO CC[C@H](C)[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccnc1 ZINC000055340828 563474693 /nfs/dbraw/zinc/47/46/93/563474693.db2.gz UGZBFCJOIAHPLS-KRWDZBQOSA-N 1 0 320.440 4.068 50 0 DIAARO CCOc1ccccc1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000055543324 563476066 /nfs/dbraw/zinc/47/60/66/563476066.db2.gz MQCJONCLOGLXBC-UHFFFAOYSA-N 1 0 324.468 4.024 50 0 DIAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cccc3cnccc32)c1 ZINC000063847516 563485380 /nfs/dbraw/zinc/48/53/80/563485380.db2.gz JDSPTVDKYIOZAP-MRXNPFEDSA-N 1 0 305.425 4.001 50 0 DIAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)on1 ZINC000064666976 563485826 /nfs/dbraw/zinc/48/58/26/563485826.db2.gz RJPMGXXWGBWGNG-SFHVURJKSA-N 1 0 314.429 4.361 50 0 DIAARO Cc1ccccc1OC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000067655009 563488475 /nfs/dbraw/zinc/48/84/75/563488475.db2.gz AFVICMCKOOMKEF-CQSZACIVSA-N 1 0 301.352 4.038 50 0 DIAARO Cc1ccsc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000077340860 563509498 /nfs/dbraw/zinc/50/94/98/563509498.db2.gz ICLIZBCHRBQNJT-AWEZNQCLSA-N 1 0 311.454 4.312 50 0 DIAARO COCCC[C@H]1CCC[N@H+](Cc2c(C)ccc3ncccc32)C1 ZINC000077379936 563509850 /nfs/dbraw/zinc/50/98/50/563509850.db2.gz ZDWPTPOWAKFKBV-QGZVFWFLSA-N 1 0 312.457 4.182 50 0 DIAARO FC(F)c1cccc(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000097232257 563514644 /nfs/dbraw/zinc/51/46/44/563514644.db2.gz YKOQFVLSZHTDNR-UHFFFAOYSA-N 1 0 317.383 4.096 50 0 DIAARO COc1ccc2[nH+]c(C)cc(Nc3cccc(C(C)=O)c3)c2c1 ZINC000000071678 563522740 /nfs/dbraw/zinc/52/27/40/563522740.db2.gz RHURAQJSKPCOOZ-UHFFFAOYSA-N 1 0 306.365 4.498 50 0 DIAARO CCC[NH+](CCC)Cc1c(C)[nH]c2ccc(C(C)=O)cc2c1=O ZINC000008717264 563523557 /nfs/dbraw/zinc/52/35/57/563523557.db2.gz FLRWKMSNRSSEPK-UHFFFAOYSA-N 1 0 314.429 4.073 50 0 DIAARO CC(C)n1ccnc1[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000095352452 563528718 /nfs/dbraw/zinc/52/87/18/563528718.db2.gz NUVDAPUQYLMVRR-MRXNPFEDSA-N 1 0 320.440 4.396 50 0 DIAARO CC(C)n1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000095361205 563529855 /nfs/dbraw/zinc/52/98/55/563529855.db2.gz NFBILJSQIMDUSO-OAHLLOKOSA-N 1 0 319.399 4.122 50 0 DIAARO C[C@@H](c1ccc(-c2cnc3[nH]cnc3c2)cc1)[NH+]1CCCCC1 ZINC000096148239 563533915 /nfs/dbraw/zinc/53/39/15/563533915.db2.gz GUKIHUADFSARBQ-AWEZNQCLSA-N 1 0 306.413 4.172 50 0 DIAARO Cc1ccccc1NC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 ZINC000247991658 563536359 /nfs/dbraw/zinc/53/63/59/563536359.db2.gz NBYKEYBTYQIATB-PBHICJAKSA-N 1 0 314.454 4.221 50 0 DIAARO O[C@@H](C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000247796058 563539203 /nfs/dbraw/zinc/53/92/03/563539203.db2.gz RNYDSULXEGZJTK-IRXDYDNUSA-N 1 0 324.449 4.167 50 0 DIAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)on1 ZINC000097631910 563541343 /nfs/dbraw/zinc/54/13/43/563541343.db2.gz FINGYHBEKCRCFT-MRXNPFEDSA-N 1 0 312.413 4.034 50 0 DIAARO Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccn2)ccc1F ZINC000102806033 563560235 /nfs/dbraw/zinc/56/02/35/563560235.db2.gz UTAYGULOSGZVPU-GGPHIMKMSA-N 1 0 310.416 4.440 50 0 DIAARO Cc1ccccc1[C@H]([NH2+]Cc1cc2ccccc2c(=O)[nH]1)C(C)C ZINC000119731314 563565254 /nfs/dbraw/zinc/56/52/54/563565254.db2.gz AJKJKXVKEMYNNE-HXUWFJFHSA-N 1 0 320.436 4.323 50 0 DIAARO COc1ccc(C[NH2+]C2CCCC2)cc1OCc1ccccc1 ZINC000000285241 563584744 /nfs/dbraw/zinc/58/47/44/563584744.db2.gz VAZRAXNSPXDSLL-UHFFFAOYSA-N 1 0 311.425 4.306 50 0 DIAARO COc1ccc(C(=O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000346103 563589426 /nfs/dbraw/zinc/58/94/26/563589426.db2.gz AWFRFXXLSFRWKY-HXUWFJFHSA-N 1 0 323.436 4.148 50 0 DIAARO CCC[N@@H+]1CCC[C@]2(C)[C@H](OC(=O)c3ccccc3)CCC[C@H]12 ZINC000248026331 563599480 /nfs/dbraw/zinc/59/94/80/563599480.db2.gz MIJNOPJLAXKPEM-NSHGMRRFSA-N 1 0 315.457 4.277 50 0 biogenic DIAARO CCc1ccc(C(OCC[NH+](C)C)c2ccc(CC)cc2)cc1 ZINC000005556651 563623788 /nfs/dbraw/zinc/62/37/88/563623788.db2.gz CQGGOFHOBBXTNB-UHFFFAOYSA-N 1 0 311.469 4.479 50 0 DIAARO CCC(CC)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863047 563625494 /nfs/dbraw/zinc/62/54/94/563625494.db2.gz CXDLVMLZUMTAHT-KRWDZBQOSA-N 1 0 322.518 4.218 50 0 DIAARO Cc1ccc(-c2c[n+](Cc3ccc(Cl)cc3)c3n2CCC3)cc1 ZINC000017248000 563626906 /nfs/dbraw/zinc/62/69/06/563626906.db2.gz UTZZQJLEKCJZCN-UHFFFAOYSA-N 1 0 323.847 4.399 50 0 DIAARO CC(C)c1cc(N2CC[NH+](C)CC2)cc2c3ccccc3[nH]c21 ZINC000002596439 563626989 /nfs/dbraw/zinc/62/69/89/563626989.db2.gz VYKZIDJHEXFDIE-UHFFFAOYSA-N 1 0 307.441 4.196 50 0 DIAARO Fc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000003683697 563636374 /nfs/dbraw/zinc/63/63/74/563636374.db2.gz MOIWUVUOYDEETD-UHFFFAOYSA-N 1 0 316.395 4.084 50 0 DIAARO C[C@@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cnccn1 ZINC000108462246 563688867 /nfs/dbraw/zinc/68/88/67/563688867.db2.gz LQQHFJQVEHGSOT-JKSUJKDBSA-N 1 0 310.445 4.024 50 0 DIAARO CC(C)C[C@H](C)[NH+]1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000048229025 563694058 /nfs/dbraw/zinc/69/40/58/563694058.db2.gz NEEBMHPHSICISK-INIZCTEOSA-N 1 0 318.509 4.397 50 0 DIAARO c1c(C[N@@H+]2CCC[C@@H]2c2ccccn2)onc1-c1ccccc1 ZINC000215478576 563705348 /nfs/dbraw/zinc/70/53/48/563705348.db2.gz GQHUUNSMTFIVHC-LJQANCHMSA-N 1 0 305.381 4.074 50 0 DIAARO COc1cccc([C@@H]2CCCN2Cc2csc(C(C)=O)c2)c1 ZINC000215424679 563705697 /nfs/dbraw/zinc/70/56/97/563705697.db2.gz XMNHSHDHAYZHJK-KRWDZBQOSA-N 1 0 315.438 4.296 50 0 DIAARO CC[C@H]([NH2+]Cc1ccn(C)c1)c1ccccc1Br ZINC000095968903 563714114 /nfs/dbraw/zinc/71/41/14/563714114.db2.gz FBNRXWWVZLEWKI-HNNXBMFYSA-N 1 0 307.235 4.029 50 0 DIAARO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000241515599 563777496 /nfs/dbraw/zinc/77/74/96/563777496.db2.gz OGKSXUYCCKUANP-HFSMHLIXSA-N 1 0 309.453 4.297 50 0 DIAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC000241946719 563777837 /nfs/dbraw/zinc/77/78/37/563777837.db2.gz UNKNHESEVWMSHB-AWEZNQCLSA-N 1 0 304.796 4.254 50 0 DIAARO Cc1cnccc1C[N@H+](C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000252479308 563783762 /nfs/dbraw/zinc/78/37/62/563783762.db2.gz BCUDEFRCHRMFKG-AEVNEEFTSA-N 1 0 322.452 4.084 50 0 DIAARO CC1CC[NH+](CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000003247007 563799639 /nfs/dbraw/zinc/79/96/39/563799639.db2.gz KVKZOFRWIKTBCX-UHFFFAOYSA-N 1 0 302.245 4.494 50 0 DIAARO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000012672761 563808955 /nfs/dbraw/zinc/80/89/55/563808955.db2.gz HMSGZGIKWSXIPJ-YWZLYKJASA-N 1 0 322.452 4.317 50 0 DIAARO C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(C(F)(F)F)cc1 ZINC000084651527 563829000 /nfs/dbraw/zinc/82/90/00/563829000.db2.gz YSKDCNYJCKYMMV-JSGCOSHPSA-N 1 0 323.362 4.130 50 0 DIAARO C[N@H+](Cc1ccccc1NCCCCCO)C1CCCCC1 ZINC000075094589 563859402 /nfs/dbraw/zinc/85/94/02/563859402.db2.gz XOWNQVYCKLWNGW-UHFFFAOYSA-N 1 0 304.478 4.026 50 0 DIAARO O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)C1CCCCC1 ZINC000000968273 563874429 /nfs/dbraw/zinc/87/44/29/563874429.db2.gz HWHLPVGTWGOCJO-FQEVSTJZSA-N 1 0 301.474 4.331 50 0 fda DIAARO OC1CCC([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000090800637 563876097 /nfs/dbraw/zinc/87/60/97/563876097.db2.gz HFRGTMHTYUBFIX-PIMMBPRGSA-N 1 0 311.878 4.160 50 0 DIAARO C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1cccc(F)c1F ZINC000090963237 563877062 /nfs/dbraw/zinc/87/70/62/563877062.db2.gz ZBSMHWSBTYWNHW-CHWSQXEVSA-N 1 0 304.384 4.443 50 0 DIAARO Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](C)c3ccc(C)cc3)c(C)n2n1 ZINC000091726812 563879197 /nfs/dbraw/zinc/87/91/97/563879197.db2.gz FHTQKQZCHGYYOY-GDBMZVCRSA-N 1 0 322.456 4.109 50 0 DIAARO O[C@@H](C[N@@H+]1CCC[C@H]1c1cccs1)c1ccccc1Cl ZINC000242346928 563881013 /nfs/dbraw/zinc/88/10/13/563881013.db2.gz ZKGAVHXHAOLNLC-GJZGRUSLSA-N 1 0 307.846 4.272 50 0 DIAARO C[C@@H]1C[C@@H]([NH2+]CCCO[C@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000245840124 563882388 /nfs/dbraw/zinc/88/23/88/563882388.db2.gz DGPPYUDOLOMBQO-WQDJSCAQSA-N 1 0 317.473 4.016 50 0 DIAARO CC(C)[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000075568186 563884890 /nfs/dbraw/zinc/88/48/90/563884890.db2.gz JAVPQCZOXMYSHP-JXFKEZNVSA-N 1 0 310.441 4.391 50 0 DIAARO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000006566375 563890581 /nfs/dbraw/zinc/89/05/81/563890581.db2.gz XGHOGRQGQKPKTK-ZWNOBZJWSA-N 1 0 315.244 4.100 50 0 DIAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccccc1 ZINC000036095365 563892741 /nfs/dbraw/zinc/89/27/41/563892741.db2.gz YDLLTKVQXMZOKE-IBGZPJMESA-N 1 0 301.405 4.017 50 0 DIAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)Cc1ccccc1 ZINC000036097433 563892826 /nfs/dbraw/zinc/89/28/26/563892826.db2.gz PXKFWSJEHYMLMF-NRFANRHFSA-N 1 0 311.469 4.119 50 0 DIAARO CC[C@H](c1nc(Cc2ccccc2Cl)no1)[NH+](CC)CC ZINC000170606728 563907615 /nfs/dbraw/zinc/90/76/15/563907615.db2.gz QDXCDWOIQJJAMG-CQSZACIVSA-N 1 0 307.825 4.107 50 0 DIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(c3ccccc3C)CC2)o1 ZINC000170618721 563908419 /nfs/dbraw/zinc/90/84/19/563908419.db2.gz ITHZSRQDHQDPCX-UHFFFAOYSA-N 1 0 321.424 4.108 50 0 DIAARO Clc1cnccc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964621 563911449 /nfs/dbraw/zinc/91/14/49/563911449.db2.gz ZAKYCCAESPTJEA-AWEZNQCLSA-N 1 0 318.873 4.349 50 0 DIAARO CCCC[NH+](CCCC)Cc1cc(=O)oc2cc(C)c(O)cc12 ZINC000002114557 563914646 /nfs/dbraw/zinc/91/46/46/563914646.db2.gz WMFSZDFOGKVCKM-UHFFFAOYSA-N 1 0 317.429 4.209 50 0 biogenic DIAARO CCCCc1noc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)n1 ZINC000252516093 563916726 /nfs/dbraw/zinc/91/67/26/563916726.db2.gz QBDSAVMMAINTCS-HZPDHXFCSA-N 1 0 313.445 4.099 50 0 DIAARO CCCCNc1nc2ccccc2n1Cc1cccc(OC)c1 ZINC000007738593 563918489 /nfs/dbraw/zinc/91/84/89/563918489.db2.gz WTNROUOYOJYVLJ-UHFFFAOYSA-N 1 0 309.413 4.305 50 0 DIAARO C[C@H]1CCCC[N@@H+]1Cc1cncc(-c2cc(F)cc(F)c2)c1 ZINC000037554051 563918733 /nfs/dbraw/zinc/91/87/33/563918733.db2.gz PBZMFLASBQHION-ZDUSSCGKSA-N 1 0 302.368 4.401 50 0 DIAARO CCc1ccc2c(c1)c1nc(C)sc1n2CC[NH+](CC)CC ZINC000002242194 563920806 /nfs/dbraw/zinc/92/08/06/563920806.db2.gz VBQTYHDWMNRWKO-UHFFFAOYSA-N 1 0 315.486 4.464 50 0 DIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)c(C)c1 ZINC000007945781 563928904 /nfs/dbraw/zinc/92/89/04/563928904.db2.gz QGMJUULSCCCPQD-UHFFFAOYSA-N 1 0 324.468 4.075 50 0 DIAARO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000095420466 563931314 /nfs/dbraw/zinc/93/13/14/563931314.db2.gz XQMZYHSYNSWXSK-ZIAGYGMSSA-N 1 0 316.470 4.127 50 0 DIAARO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000095423053 563931323 /nfs/dbraw/zinc/93/13/23/563931323.db2.gz GKSBXOPABQKIBV-PXAZEXFGSA-N 1 0 323.358 4.268 50 0 DIAARO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CSCc2ccccc21 ZINC000095949745 563932159 /nfs/dbraw/zinc/93/21/59/563932159.db2.gz XZNGPLGANZELGO-LJQANCHMSA-N 1 0 308.450 4.288 50 0 DIAARO C[C@]1([NH2+]Cc2cnn(-c3ccccc3)c2)CCCc2ccccc21 ZINC000095953325 563932311 /nfs/dbraw/zinc/93/23/11/563932311.db2.gz OWWSDWWPMJJZRC-NRFANRHFSA-N 1 0 317.436 4.214 50 0 DIAARO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000095968436 563933085 /nfs/dbraw/zinc/93/30/85/563933085.db2.gz HRAAAVFWZYJICW-RHSMWYFYSA-N 1 0 312.413 4.045 50 0 DIAARO Clc1ccc([C@@H]([NH2+]CC2=CCCOC2)c2ccccc2)cc1 ZINC000095971801 563933481 /nfs/dbraw/zinc/93/34/81/563933481.db2.gz WVNTYXWUZYNBLI-IBGZPJMESA-N 1 0 313.828 4.366 50 0 DIAARO Cc1nnc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)s1 ZINC000095984202 563933935 /nfs/dbraw/zinc/93/39/35/563933935.db2.gz OEGKGLDVTGVQEB-ZETCQYMHSA-N 1 0 302.230 4.004 50 0 DIAARO CCCn1c(C)nnc1CN[C@@H](C)c1ccc2ccccc2c1 ZINC000095984198 563934017 /nfs/dbraw/zinc/93/40/17/563934017.db2.gz DUMCLJLYMZJEKF-AWEZNQCLSA-N 1 0 308.429 4.001 50 0 DIAARO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000095985872 563934114 /nfs/dbraw/zinc/93/41/14/563934114.db2.gz ZVCGNOBNIWWTLP-CYBMUJFWSA-N 1 0 307.397 4.204 50 0 DIAARO C[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)(C)C)c1ccc(F)cc1F ZINC000095986419 563934203 /nfs/dbraw/zinc/93/42/03/563934203.db2.gz JHEZRMXBVUXTNG-ZBEGNZNMSA-N 1 0 307.388 4.136 50 0 DIAARO Cc1ccc(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000031620695 563944636 /nfs/dbraw/zinc/94/46/36/563944636.db2.gz DJEMSMWMHIPISE-UHFFFAOYSA-N 1 0 322.452 4.162 50 0 DIAARO CN(C)[C@@H]1CC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000670457150 563945226 /nfs/dbraw/zinc/94/52/26/563945226.db2.gz KHPMSODNPCJZBJ-OAHLLOKOSA-N 1 0 310.466 4.190 50 0 DIAARO c1cn(-c2ccc(C[NH2+]CC34CC5CC(CC(C5)C3)C4)cc2)cn1 ZINC000007984352 563945961 /nfs/dbraw/zinc/94/59/61/563945961.db2.gz IRUZDLYDSNWHHW-UHFFFAOYSA-N 1 0 321.468 4.178 50 0 DIAARO COc1cc(C[NH2+]Cc2cnc(-c3ccccc3)s2)ccc1C ZINC000066990292 563948285 /nfs/dbraw/zinc/94/82/85/563948285.db2.gz DDJYEBUYLAHZLM-UHFFFAOYSA-N 1 0 324.449 4.417 50 0 DIAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@H+]1CCCC[C@H]1C ZINC000008700896 563949822 /nfs/dbraw/zinc/94/98/22/563949822.db2.gz YQPXDZMMGCBFOW-LLVKDONJSA-N 1 0 304.821 4.277 50 0 DIAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccccc2c1=O ZINC000008717595 563950294 /nfs/dbraw/zinc/95/02/94/563950294.db2.gz NRTIQVHBXRVRNJ-UHFFFAOYSA-N 1 0 306.409 4.271 50 0 DIAARO C[C@H]([NH3+])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000040712789 563954319 /nfs/dbraw/zinc/95/43/19/563954319.db2.gz FLEBIYNUTZNISZ-ZOVJPLRPSA-N 1 0 317.517 4.274 50 0 DIAARO Oc1cccc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)c1 ZINC000069776834 563954634 /nfs/dbraw/zinc/95/46/34/563954634.db2.gz HSEKFPRBJJRING-UHFFFAOYSA-N 1 0 324.355 4.008 50 0 DIAARO Cc1cc(CN2CCCC[C@H]2c2nc3ccccc3s2)on1 ZINC000009446762 563955962 /nfs/dbraw/zinc/95/59/62/563955962.db2.gz DOYSZWLCICPNHU-HNNXBMFYSA-N 1 0 313.426 4.320 50 0 DIAARO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1F)c1ccccc1 ZINC000009516826 563956628 /nfs/dbraw/zinc/95/66/28/563956628.db2.gz CHHDCMJGHBBNQU-WMLDXEAASA-N 1 0 314.404 4.284 50 0 DIAARO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1C ZINC000010310903 563958533 /nfs/dbraw/zinc/95/85/33/563958533.db2.gz XAXYKJGTFLHZQL-LJQANCHMSA-N 1 0 308.425 4.079 50 0 DIAARO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000010311084 563958702 /nfs/dbraw/zinc/95/87/02/563958702.db2.gz OZWLWPGLKFTNBE-IBGZPJMESA-N 1 0 308.425 4.079 50 0 DIAARO CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000002741225 568414148 /nfs/dbraw/zinc/41/41/48/568414148.db2.gz UDHRPRPURNIQMQ-UHFFFAOYSA-N 1 0 319.832 4.427 50 0 DIAARO O=C(CC[N@H+](Cc1ccco1)C1CCCC1)Nc1ccccc1 ZINC000053140498 568417772 /nfs/dbraw/zinc/41/77/72/568417772.db2.gz DELOMMFFYOLVLE-UHFFFAOYSA-N 1 0 312.413 4.053 50 0 DIAARO C[N@H+](CCc1ccccn1)Cc1ccc(-c2ccccc2)cc1 ZINC000002493906 1037574092 /nfs/dbraw/zinc/57/40/92/1037574092.db2.gz OJGGEZPZQWRURW-UHFFFAOYSA-N 1 0 302.421 4.423 50 0 DIAARO Cc1ccccc1N1Cc2ccccc2C2(CCOCC2)C1=[NH2+] ZINC000022589163 1038073377 /nfs/dbraw/zinc/07/33/77/1038073377.db2.gz GWQRFHHQILYNEU-UHFFFAOYSA-N 1 0 306.409 4.041 50 0 DIAARO COc1ccc(Oc2cc(C[NH2+][C@@H](C)C3CCC3)ccn2)cc1 ZINC000178197653 1038081451 /nfs/dbraw/zinc/08/14/51/1038081451.db2.gz CZQJUEUVUJVJGQ-AWEZNQCLSA-N 1 0 312.413 4.161 50 0 DIAARO COc1ccc(Oc2cc(C[NH2+][C@H](C)c3ccoc3)ccn2)cc1 ZINC000178198270 1038083666 /nfs/dbraw/zinc/08/36/66/1038083666.db2.gz PCENIBCYZINPDJ-CQSZACIVSA-N 1 0 324.380 4.326 50 0 DIAARO OC[C@H]1CCC[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000023281025 1040548498 /nfs/dbraw/zinc/54/84/98/1040548498.db2.gz KVCMAIMTIPTBRW-MRXNPFEDSA-N 1 0 317.816 4.089 50 0 DIAARO CSc1ccc(NC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)cc1 ZINC000023429761 1040759190 /nfs/dbraw/zinc/75/91/90/1040759190.db2.gz CPQXCJMAHUNWSH-ZDUSSCGKSA-N 1 0 318.467 4.147 50 0 DIAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)o1 ZINC000162486383 1041704966 /nfs/dbraw/zinc/70/49/66/1041704966.db2.gz UNEJMBTWKPBBFX-OAHLLOKOSA-N 1 0 313.445 4.078 50 0 DIAARO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@H]1C ZINC000299872818 1041827684 /nfs/dbraw/zinc/82/76/84/1041827684.db2.gz NOOVCEBGGLCWNR-LVCYWYKZSA-N 1 0 314.517 4.108 50 0 DIAARO Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([C@H](C)O)C3)c2)cc1 ZINC000108386986 1041914888 /nfs/dbraw/zinc/91/48/88/1041914888.db2.gz RYPDREVQBFRYQL-LAUBAEHRSA-N 1 0 309.453 4.255 50 0 DIAARO c1ccc([C@H](CC2CCC2)[NH2+][C@H]2COCc3ncccc32)cc1 ZINC000888101080 1042266319 /nfs/dbraw/zinc/26/63/19/1042266319.db2.gz YQDUKRNXPURFRL-ICSRJNTNSA-N 1 0 308.425 4.174 50 0 DIAARO Cc1ccc([C@H]([NH2+]C[C@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000025664782 1044548326 /nfs/dbraw/zinc/54/83/26/1044548326.db2.gz WRKBIPRRSXHZAA-FCHUYYIVSA-N 1 0 317.432 4.408 50 0 DIAARO c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(OC3CCCC3)c1)CO2 ZINC000014978172 1045561283 /nfs/dbraw/zinc/56/12/83/1045561283.db2.gz KCYRGBFPAMWZRY-SFHVURJKSA-N 1 0 323.436 4.101 50 0 DIAARO Cc1ccsc1-c1nc(C[N@@H+]2C[C@H]3C[C@@H]2CCC3)c(C)o1 ZINC000020202413 1045579141 /nfs/dbraw/zinc/57/91/41/1045579141.db2.gz RNTWDVDCFGRYNW-KGLIPLIRSA-N 1 0 302.443 4.394 50 0 DIAARO Cc1ccsc1C[N@H+]1CCC[C@@H](n2c(C)cnc2C2CC2)C1 ZINC000575547011 1045669148 /nfs/dbraw/zinc/66/91/48/1045669148.db2.gz VTWOEGGFIPHORZ-MRXNPFEDSA-N 1 0 315.486 4.276 50 0 DIAARO Clc1ccccc1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000000214426 1047308844 /nfs/dbraw/zinc/30/88/44/1047308844.db2.gz WGGWRKFUAXNQEF-UHFFFAOYSA-N 1 0 314.860 4.095 50 0 DIAARO CCOc1cc2c[nH+]c(N3CCCCC3)cc2cc1OCC ZINC000000534999 1047352596 /nfs/dbraw/zinc/35/25/96/1047352596.db2.gz XMVUYEAMIPFNGM-UHFFFAOYSA-N 1 0 300.402 4.023 50 0 DIAARO Cc1cnccc1OC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000348356268 1049509589 /nfs/dbraw/zinc/50/95/89/1049509589.db2.gz MDGDDICZUPMGAY-UHFFFAOYSA-N 1 0 322.408 4.180 50 0 DIAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@H](c2cccc(C)c2)C1 ZINC000952964348 1051123115 /nfs/dbraw/zinc/12/31/15/1051123115.db2.gz NPUVPOJPEZNIHO-KRWDZBQOSA-N 1 0 311.425 4.089 50 0 DIAARO COc1cc(F)ccc1C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000952979096 1051123169 /nfs/dbraw/zinc/12/31/69/1051123169.db2.gz TUBNKLZMKUIVNG-UHFFFAOYSA-N 1 0 310.372 4.015 50 0 DIAARO COc1cc(F)ccc1C[NH2+][C@@H](CC(C)C)c1cccnc1 ZINC000952986867 1051125172 /nfs/dbraw/zinc/12/51/72/1051125172.db2.gz GRCLBLGOUZYKFT-KRWDZBQOSA-N 1 0 302.393 4.106 50 0 DIAARO CC(=O)Nc1ccc2nc(C[NH2+][C@H](C)C3=CCCCC3)ccc2c1 ZINC000952982682 1051125238 /nfs/dbraw/zinc/12/52/38/1051125238.db2.gz ZUBOPFPVGXSDDX-CQSZACIVSA-N 1 0 323.440 4.172 50 0 DIAARO Cc1cnc(C[C@H]2CC[N@H+](CC3CCCCC3)C2)n1C(C)C ZINC000581805993 1051319167 /nfs/dbraw/zinc/31/91/67/1051319167.db2.gz JNYGPSSLKQPAGR-GOSISDBHSA-N 1 0 303.494 4.217 50 0 DIAARO Cc1ccc(N[C@H]2CCC[N@@H+](C3CCSCC3)C2)cc1C ZINC000011816603 1056710439 /nfs/dbraw/zinc/71/04/39/1056710439.db2.gz UFTULKWOZAZTKB-KRWDZBQOSA-N 1 0 304.503 4.075 50 0 DIAARO C[C@@H]1C[N@H+](Cc2cccc3ncccc23)Cc2ccccc2O1 ZINC000012165909 1056990351 /nfs/dbraw/zinc/99/03/51/1056990351.db2.gz VLGOHBXCVHIQNX-OAHLLOKOSA-N 1 0 304.393 4.018 50 0 DIAARO Cc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)n1 ZINC000012305353 1057019147 /nfs/dbraw/zinc/01/91/47/1057019147.db2.gz PJKOXLXTLPTDBD-HXUWFJFHSA-N 1 0 309.457 4.083 50 0 DIAARO Cc1ccc(C[N@@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)c2ccccc12 ZINC001529119394 1058615603 /nfs/dbraw/zinc/61/56/03/1058615603.db2.gz WCQMYVPSHJUDJJ-QGFMHUBQSA-N 1 0 309.453 4.130 50 0 DIAARO Cc1ncsc1C[N@@H+](C)C[C@@]1(c2ccccc2)CC1(C)C ZINC001529162073 1058629462 /nfs/dbraw/zinc/62/94/62/1058629462.db2.gz UJAQRLOOPRRDOF-GOSISDBHSA-N 1 0 300.471 4.251 50 0 DIAARO CCC(CC)(CO)C[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001506409313 1063507388 /nfs/dbraw/zinc/50/73/88/1063507388.db2.gz GNMYEWVIPARLIP-UHFFFAOYSA-N 1 0 321.358 4.075 50 0 DIAARO Cc1nnc([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCCCC2)o1 ZINC000079029808 185147616 /nfs/dbraw/zinc/14/76/16/185147616.db2.gz PULYQVVBYLGGSZ-ZDUSSCGKSA-N 1 0 317.408 4.070 50 0 DIAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nccc3ccsc32)C1 ZINC000328592724 231233520 /nfs/dbraw/zinc/23/35/20/231233520.db2.gz VMCMSPDJZKDULC-IIAWOOMASA-N 1 0 315.486 4.138 50 0 DIAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)c1cnccn1 ZINC000090114989 185283071 /nfs/dbraw/zinc/28/30/71/185283071.db2.gz GBUDDTNOMROPIY-WXRXAMBDSA-N 1 0 301.821 4.178 50 0 DIAARO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415566 185358765 /nfs/dbraw/zinc/35/87/65/185358765.db2.gz UTHGYKJIKBOBNW-INIZCTEOSA-N 1 0 314.454 4.196 50 0 DIAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000095419639 185360011 /nfs/dbraw/zinc/36/00/11/185360011.db2.gz ULRGCDJWYHJUOE-YVEFUNNKSA-N 1 0 312.438 4.143 50 0 DIAARO CCC(=O)N1CCC([NH2+][C@H](CC(C)C)c2ccccc2C)CC1 ZINC000095422360 185361006 /nfs/dbraw/zinc/36/10/06/185361006.db2.gz NZFQSETVNRYJDM-LJQANCHMSA-N 1 0 316.489 4.073 50 0 DIAARO CCSCC[C@@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000095454568 185369661 /nfs/dbraw/zinc/36/96/61/185369661.db2.gz TYQGXPBCMGZWOE-WLYUNCDWSA-N 1 0 315.523 4.008 50 0 DIAARO C[C@@H]1CCC[C@H]1[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000095457062 185370202 /nfs/dbraw/zinc/37/02/02/185370202.db2.gz VFVQTNJXXPSXBA-WQVCFCJDSA-N 1 0 324.262 4.011 50 0 DIAARO CC[C@H](CSC)[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000095459556 185370618 /nfs/dbraw/zinc/37/06/18/185370618.db2.gz LEKVTNUQPZUNBU-CYBMUJFWSA-N 1 0 308.878 4.462 50 0 DIAARO CCCC[C@H](CC)CC[NH2+][C@@H]1CCC[C@@H]([S@@](=O)CC)C1 ZINC000229985142 201858167 /nfs/dbraw/zinc/85/81/67/201858167.db2.gz FUCBSMQHBJPZGH-XLSPSMHOSA-N 1 0 301.540 4.262 50 0 DIAARO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000121457416 185803209 /nfs/dbraw/zinc/80/32/09/185803209.db2.gz JTOBCHARHVLGHP-ZIBATOQPSA-N 1 0 302.245 4.195 50 0 DIAARO CCn1nc(C)c(C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1C ZINC000072146696 191053575 /nfs/dbraw/zinc/05/35/75/191053575.db2.gz SMOTVPPZIYHGQF-QGZVFWFLSA-N 1 0 301.434 4.230 50 0 DIAARO Fc1ccc(CC[C@H]2CCC[N@H+](Cc3cscn3)C2)cc1 ZINC000072150397 191056596 /nfs/dbraw/zinc/05/65/96/191056596.db2.gz LVKGHHHBAPUNJH-OAHLLOKOSA-N 1 0 304.434 4.127 50 0 DIAARO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H]3c3ccccn3)ccc2O1 ZINC000072158541 191061120 /nfs/dbraw/zinc/06/11/20/191061120.db2.gz PBROBYMVKLCIQJ-GOSISDBHSA-N 1 0 308.425 4.132 50 0 DIAARO Cc1cc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)ccc1Cl ZINC000225636463 186285742 /nfs/dbraw/zinc/28/57/42/186285742.db2.gz JTUVNEDFJOWXJT-GOSISDBHSA-N 1 0 317.860 4.498 50 0 DIAARO Cc1ccccc1[C@H]1CCC[N@@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000072410927 191154772 /nfs/dbraw/zinc/15/47/72/191154772.db2.gz KCIUMCGCVWQSDC-KRWDZBQOSA-N 1 0 309.457 4.288 50 0 DIAARO C[NH+](C)[C@@H](Cn1ccnc1-c1ccoc1)c1ccccc1Cl ZINC000072417827 191155647 /nfs/dbraw/zinc/15/56/47/191155647.db2.gz UEFJQNIXIDKUOW-INIZCTEOSA-N 1 0 315.804 4.099 50 0 DIAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000072418522 191156340 /nfs/dbraw/zinc/15/63/40/191156340.db2.gz LETNWDXGUXUJTE-FQEVSTJZSA-N 1 0 324.468 4.122 50 0 DIAARO CC(C)[NH2+]CCCOc1ccc2ccccc2c1Br ZINC000003000612 180975994 /nfs/dbraw/zinc/97/59/94/180975994.db2.gz AEWBEFVHUPNPHC-UHFFFAOYSA-N 1 0 322.246 4.369 50 0 DIAARO Cc1ccc(OCCCC[NH+]2CCCC2)c(Br)c1 ZINC000003002196 180976310 /nfs/dbraw/zinc/97/63/10/180976310.db2.gz FROKCLCUUNWILU-UHFFFAOYSA-N 1 0 312.251 4.012 50 0 DIAARO CC[C@@H](C)c1ccccc1OCCOCC[NH+]1CCC(C)CC1 ZINC000003003360 180976611 /nfs/dbraw/zinc/97/66/11/180976611.db2.gz YGNWDCHVMDFMMK-GOSISDBHSA-N 1 0 319.489 4.327 50 0 DIAARO O=C(C[NH+]1CCCCCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000003289365 181000968 /nfs/dbraw/zinc/00/09/68/181000968.db2.gz RAOMTSRZZOOOCO-UHFFFAOYSA-N 1 0 324.424 4.293 50 0 DIAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1 ZINC000003314844 181003896 /nfs/dbraw/zinc/00/38/96/181003896.db2.gz QGVPHWMENUKFSI-AWEZNQCLSA-N 1 0 317.816 4.017 50 0 DIAARO Cc1[nH]c2ccccc2c1C(=O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000003335726 181007763 /nfs/dbraw/zinc/00/77/63/181007763.db2.gz YNCYOIVUOAIOFH-SFHVURJKSA-N 1 0 318.420 4.326 50 0 DIAARO CC(C)(C)[NH2+]CCOc1ccc2ccccc2c1Br ZINC000003461538 181023539 /nfs/dbraw/zinc/02/35/39/181023539.db2.gz BRRIBGYAYKOFJV-UHFFFAOYSA-N 1 0 322.246 4.369 50 0 DIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@H]1CC=C(C)C[C@@H]1C ZINC000004029030 181064213 /nfs/dbraw/zinc/06/42/13/181064213.db2.gz SSBXMBLMSWKYIH-ZUEVXXBESA-N 1 0 310.441 4.356 50 0 biogenic DIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@H]1CC=C(C)C[C@H]1C ZINC000004029029 181064384 /nfs/dbraw/zinc/06/43/84/181064384.db2.gz SSBXMBLMSWKYIH-FRIZHTMISA-N 1 0 310.441 4.356 50 0 biogenic DIAARO CCCCOc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004181403 181082609 /nfs/dbraw/zinc/08/26/09/181082609.db2.gz YDHKFRBGUOGGQN-QGZVFWFLSA-N 1 0 305.462 4.160 50 0 DIAARO CCCCOc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1 ZINC000004181404 181082238 /nfs/dbraw/zinc/08/22/38/181082238.db2.gz YDHKFRBGUOGGQN-KRWDZBQOSA-N 1 0 305.462 4.160 50 0 DIAARO COc1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1OC ZINC000004506069 181117174 /nfs/dbraw/zinc/11/71/74/181117174.db2.gz IAZWOYFMQJUDLW-ACCUITESSA-N 1 0 322.428 4.423 50 0 DIAARO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)C1(C)O ZINC000004555393 181124096 /nfs/dbraw/zinc/12/40/96/181124096.db2.gz XDCSRNLDRQBFAD-HQKNPNQUSA-N 1 0 309.453 4.438 50 0 DIAARO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCC ZINC000004657532 181132538 /nfs/dbraw/zinc/13/25/38/181132538.db2.gz CETMRBZMRPTYFP-UHFFFAOYSA-N 1 0 319.832 4.427 50 0 DIAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(F)c3)n2C)cc1C ZINC000004678881 181135973 /nfs/dbraw/zinc/13/59/73/181135973.db2.gz SJDXOEKGOSIFDR-UHFFFAOYSA-N 1 0 309.388 4.455 50 0 DIAARO COc1ccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)cc1 ZINC000004678990 181136349 /nfs/dbraw/zinc/13/63/49/181136349.db2.gz DHMOISAEYOUHRW-UHFFFAOYSA-N 1 0 321.424 4.325 50 0 DIAARO CC1CC[NH+](C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000004745823 181146944 /nfs/dbraw/zinc/14/69/44/181146944.db2.gz ZKRZODUALCDBEY-UHFFFAOYSA-N 1 0 306.881 4.036 50 0 DIAARO O=C(C[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000004783177 181151420 /nfs/dbraw/zinc/15/14/20/181151420.db2.gz VRATXEGKBMSAJF-UHFFFAOYSA-N 1 0 303.833 4.081 50 0 DIAARO Cc1ccccc1OCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004833805 181159532 /nfs/dbraw/zinc/15/95/32/181159532.db2.gz WENQDAVPWMEUCF-UHFFFAOYSA-N 1 0 309.453 4.329 50 0 DIAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942918 181176792 /nfs/dbraw/zinc/17/67/92/181176792.db2.gz SAMMYIXARWNYFU-LLVKDONJSA-N 1 0 314.212 4.114 50 0 DIAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942917 181176822 /nfs/dbraw/zinc/17/68/22/181176822.db2.gz SAMMYIXARWNYFU-NSHDSACASA-N 1 0 314.212 4.114 50 0 DIAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004942872 181176848 /nfs/dbraw/zinc/17/68/48/181176848.db2.gz WHYMIYDTVBPNCA-LLVKDONJSA-N 1 0 314.212 4.114 50 0 DIAARO c1ccc(CN2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000004989489 181185797 /nfs/dbraw/zinc/18/57/97/181185797.db2.gz NPKWIBDFHNKRIF-UHFFFAOYSA-N 1 0 324.512 4.065 50 0 DIAARO CCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000004991313 181186439 /nfs/dbraw/zinc/18/64/39/181186439.db2.gz FWPMOWFREMXLAZ-UHFFFAOYSA-N 1 0 322.452 4.487 50 0 DIAARO Cc1ccc(C[N@@H+]2CC[C@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000005018087 181191231 /nfs/dbraw/zinc/19/12/31/181191231.db2.gz DRTYOXXPPQRSHF-SFHVURJKSA-N 1 0 309.409 4.022 50 0 DIAARO CC[NH+](CC)CC/C=C/C1(O)c2ccccc2-c2ccccc21 ZINC000005044028 181196229 /nfs/dbraw/zinc/19/62/29/181196229.db2.gz FGQSXDMCBOCBRH-OQLLNIDSSA-N 1 0 307.437 4.191 50 0 DIAARO CC(C)CC(=O)Nc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000078702867 191914927 /nfs/dbraw/zinc/91/49/27/191914927.db2.gz BTQDWIFRMGKQRW-INIZCTEOSA-N 1 0 300.446 4.117 50 0 DIAARO Cc1nc2c(-c3ccccc3)cnn2c(Nc2cc[nH+]cc2)c1C ZINC000005240560 181220595 /nfs/dbraw/zinc/22/05/95/181220595.db2.gz JVYISACPMRIZGV-UHFFFAOYSA-N 1 0 315.380 4.152 50 0 DIAARO CC[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000005564331 181257887 /nfs/dbraw/zinc/25/78/87/181257887.db2.gz YDKLZQZGUFZJGR-UHFFFAOYSA-N 1 0 322.452 4.026 50 0 DIAARO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1(O)CCCCC1 ZINC000087017578 192611753 /nfs/dbraw/zinc/61/17/53/192611753.db2.gz UCDNFBOCWLUZGI-GFCCVEGCSA-N 1 0 310.507 4.095 50 0 DIAARO CC(C)[NH+]1CCC(C(=O)NC2CCC3(CCCCC3)CC2)CC1 ZINC000240668537 202459552 /nfs/dbraw/zinc/45/95/52/202459552.db2.gz HNFKINYTZBSSAW-UHFFFAOYSA-N 1 0 320.521 4.116 50 0 DIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000005996886 181304446 /nfs/dbraw/zinc/30/44/46/181304446.db2.gz ZQQMOWWGLHLIOV-UHFFFAOYSA-N 1 0 312.388 4.064 50 0 DIAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006542936 181352461 /nfs/dbraw/zinc/35/24/61/181352461.db2.gz KENNCAPANAJUCK-QGZVFWFLSA-N 1 0 322.452 4.090 50 0 DIAARO Cc1cc2oc(=O)cc(C[NH2+][C@@H]3CCCC[C@H]3C)c2cc1Cl ZINC000006552423 181353100 /nfs/dbraw/zinc/35/31/00/181353100.db2.gz KFVKPVKLMZZWSZ-BDJLRTHQSA-N 1 0 319.832 4.423 50 0 DIAARO Cc1cc(-n2c(C)cc(C[NH2+][C@H](C)c3cccs3)c2C)no1 ZINC000006651116 181364939 /nfs/dbraw/zinc/36/49/39/181364939.db2.gz ISNDDXXZGCOJBA-CYBMUJFWSA-N 1 0 315.442 4.303 50 0 DIAARO Brc1ccccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000006667648 181368165 /nfs/dbraw/zinc/36/81/65/181368165.db2.gz CHYWFJMKFFHFEX-UHFFFAOYSA-N 1 0 320.274 4.363 50 0 DIAARO C[C@H]([NH2+]C1CCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006837406 181397865 /nfs/dbraw/zinc/39/78/65/181397865.db2.gz BJFCKKMOTKTDQM-HNNXBMFYSA-N 1 0 324.424 4.338 50 0 DIAARO CCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000091780119 193107159 /nfs/dbraw/zinc/10/71/59/193107159.db2.gz MHMHSBOTITZJJA-AWEZNQCLSA-N 1 0 321.827 4.075 50 0 DIAARO CCC[NH+]1CCC(n2cc(-c3oc4ccccc4c3C)nn2)CC1 ZINC000092081007 193154925 /nfs/dbraw/zinc/15/49/25/193154925.db2.gz GRCUYVHJUAORDD-UHFFFAOYSA-N 1 0 324.428 4.047 50 0 DIAARO Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000222109043 201602756 /nfs/dbraw/zinc/60/27/56/201602756.db2.gz ODBXLKDHBXNKCO-UVFQYZLESA-N 1 0 309.457 4.339 50 0 DIAARO c1csc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)c1 ZINC000252506000 202857038 /nfs/dbraw/zinc/85/70/38/202857038.db2.gz VVJKZPMYOWDLPR-UHFFFAOYSA-N 1 0 302.424 4.177 50 0 DIAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@H]2CC(C)(C)Cc3occc32)n1 ZINC000095967321 193464168 /nfs/dbraw/zinc/46/41/68/193464168.db2.gz ZJNQTUBSEBZFSC-DYVFJYSZSA-N 1 0 315.461 4.032 50 0 DIAARO CCc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010365241 181667892 /nfs/dbraw/zinc/66/78/92/181667892.db2.gz VBPONMNANRQETP-UHFFFAOYSA-N 1 0 322.452 4.487 50 0 DIAARO COCCC[NH2+]CC[C@]1(CCC(C)C)CCO[C@@H](C(C)C)C1 ZINC000013655135 181874377 /nfs/dbraw/zinc/87/43/77/181874377.db2.gz BUASARGVQPMCPF-RTBURBONSA-N 1 0 313.526 4.260 50 0 DIAARO c1cncc(-c2ncc3c(n2)CCC[C@H]3[NH2+]CC2CCCCC2)c1 ZINC000015066319 181985265 /nfs/dbraw/zinc/98/52/65/181985265.db2.gz IUTVDPFZUUPPIH-GOSISDBHSA-N 1 0 322.456 4.086 50 0 DIAARO COc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1OC ZINC000015837267 182020433 /nfs/dbraw/zinc/02/04/33/182020433.db2.gz JPPOSOKDMYMWLR-KRWDZBQOSA-N 1 0 315.388 4.180 50 0 DIAARO CSc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000015866913 182023207 /nfs/dbraw/zinc/02/32/07/182023207.db2.gz KFAXLAFFTXRAPB-MRXNPFEDSA-N 1 0 302.443 4.350 50 0 DIAARO C[C@@H]1C[C@H](C)C[N+](=C2C=C(N3CCCCC3)CC(C)(C)C2)C1 ZINC000015906351 182024087 /nfs/dbraw/zinc/02/40/87/182024087.db2.gz DMCMMNOYIPXYFH-CALCHBBNSA-N 1 0 303.514 4.306 50 0 DIAARO Clc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000016046983 182031278 /nfs/dbraw/zinc/03/12/78/182031278.db2.gz ORDWTQMJVXHERZ-UONOGXRCSA-N 1 0 321.848 4.219 50 0 DIAARO Cc1cccc(Oc2ccc(NC(=O)C[NH2+]C(C)(C)C)cc2)c1 ZINC000016473397 182045944 /nfs/dbraw/zinc/04/59/44/182045944.db2.gz CSLHFDPNGAPNCB-UHFFFAOYSA-N 1 0 312.413 4.114 50 0 DIAARO C(=C/c1ccccc1)\CN1CC[NH+](C[C@@H]2CC23CCCCC3)CC1 ZINC000019229395 182109044 /nfs/dbraw/zinc/10/90/44/182109044.db2.gz RNBKELRELRUYJD-CLNPQZTCSA-N 1 0 324.512 4.288 50 0 DIAARO CC[NH+](CC)CCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000019371425 182119706 /nfs/dbraw/zinc/11/97/06/182119706.db2.gz GINHCWKIPFCPGO-UHFFFAOYSA-N 1 0 306.837 4.031 50 0 DIAARO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019608860 182133584 /nfs/dbraw/zinc/13/35/84/182133584.db2.gz MFUAJHUBRUTBJC-ZDUSSCGKSA-N 1 0 323.358 4.435 50 0 DIAARO Cc1noc(C)c1CC[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000019744037 182142015 /nfs/dbraw/zinc/14/20/15/182142015.db2.gz WMGVBQPNJUDNKT-INIZCTEOSA-N 1 0 318.848 4.367 50 0 DIAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000019788254 182148170 /nfs/dbraw/zinc/14/81/70/182148170.db2.gz CCQYDTDTHNYNAO-QAPCUYQASA-N 1 0 306.881 4.036 50 0 DIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(Cl)cc1 ZINC000019798375 182150869 /nfs/dbraw/zinc/15/08/69/182150869.db2.gz RYQSSFYKOIWPCP-QGZVFWFLSA-N 1 0 312.800 4.065 50 0 biogenic DIAARO CC[C@@H](C)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019900130 182162017 /nfs/dbraw/zinc/16/20/17/182162017.db2.gz KWDAXLMBWKAZOQ-QHGAOEGBSA-N 1 0 300.490 4.129 50 0 DIAARO O[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000019944860 182168926 /nfs/dbraw/zinc/16/89/26/182168926.db2.gz KKJGAZRIFJEPKA-NHCUHLMSSA-N 1 0 303.405 4.251 50 0 DIAARO CCOc1ccc(C[NH2+]CCc2ccccc2F)cc1Cl ZINC000020064279 182184440 /nfs/dbraw/zinc/18/44/40/182184440.db2.gz RRAHHPCVMRMURW-UHFFFAOYSA-N 1 0 307.796 4.210 50 0 DIAARO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)c1cccnc1 ZINC000020127545 182189854 /nfs/dbraw/zinc/18/98/54/182189854.db2.gz JWRVWFSOKODUGN-NWDGAFQWSA-N 1 0 305.219 4.256 50 0 DIAARO Cc1ccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000020166821 182194030 /nfs/dbraw/zinc/19/40/30/182194030.db2.gz COAPJICCURBBLA-IRXDYDNUSA-N 1 0 319.489 4.171 50 0 DIAARO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@H](O)c1ccccc1 ZINC000020312697 182205676 /nfs/dbraw/zinc/20/56/76/182205676.db2.gz YSZXGHITYXCDQV-BZNIZROVSA-N 1 0 310.224 4.205 50 0 DIAARO CCc1c(CN2CC[NH+](C3CCCCC3)CC2)csc1C ZINC000020514397 182226879 /nfs/dbraw/zinc/22/68/79/182226879.db2.gz SRUQNBLMQNHTJA-UHFFFAOYSA-N 1 0 306.519 4.069 50 0 DIAARO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000021720360 182285794 /nfs/dbraw/zinc/28/57/94/182285794.db2.gz WWRMZVIGYPMTMM-GOSISDBHSA-N 1 0 314.429 4.416 50 0 DIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021720496 182285893 /nfs/dbraw/zinc/28/58/93/182285893.db2.gz GYNOSSRIRDSULN-QGZVFWFLSA-N 1 0 300.402 4.027 50 0 DIAARO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1OC(C)C ZINC000021720524 182286144 /nfs/dbraw/zinc/28/61/44/182286144.db2.gz GTZDERSJWGUZIJ-QGZVFWFLSA-N 1 0 314.429 4.416 50 0 DIAARO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1OC(C)C ZINC000021720526 182286546 /nfs/dbraw/zinc/28/65/46/182286546.db2.gz GTZDERSJWGUZIJ-KRWDZBQOSA-N 1 0 314.429 4.416 50 0 DIAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021720378 182286722 /nfs/dbraw/zinc/28/67/22/182286722.db2.gz RCEVZOZHASLTPS-SFHVURJKSA-N 1 0 314.429 4.417 50 0 DIAARO CC[NH+](CC)CCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022945566 182343672 /nfs/dbraw/zinc/34/36/72/182343672.db2.gz UEBYTWSSSYFWKE-UHFFFAOYSA-N 1 0 320.864 4.340 50 0 DIAARO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccccc1C)O[C@@H](C)C2 ZINC000022777483 182334229 /nfs/dbraw/zinc/33/42/29/182334229.db2.gz GAOSVTVSRXCOEZ-GJZGRUSLSA-N 1 0 311.425 4.178 50 0 DIAARO C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)c1ccccc1 ZINC000023280428 182355758 /nfs/dbraw/zinc/35/57/58/182355758.db2.gz ZLYXYVVOVYERBM-INIZCTEOSA-N 1 0 310.224 4.159 50 0 DIAARO Cc1ccc(-c2ccccc2C[NH2+][C@H]2COc3ccccc3C2)o1 ZINC000023339622 182357217 /nfs/dbraw/zinc/35/72/17/182357217.db2.gz MNSGJUYFJDAIOP-GOSISDBHSA-N 1 0 319.404 4.348 50 0 DIAARO CC[NH2+][C@@H](C(=O)c1c[nH]c2c1cccc2CC)c1ccccc1 ZINC000023425268 182360525 /nfs/dbraw/zinc/36/05/25/182360525.db2.gz AAUMWNSHXIIZSU-LJQANCHMSA-N 1 0 306.409 4.264 50 0 DIAARO C1=CC[C@H](CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000023471780 182361709 /nfs/dbraw/zinc/36/17/09/182361709.db2.gz SREOCUTYLOXMPK-IHPCNDPISA-N 1 0 302.506 4.072 50 0 DIAARO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](C)CCCC(C)(C)O)c1C ZINC000032598301 182649650 /nfs/dbraw/zinc/64/96/50/182649650.db2.gz JZIBUDKNUBDIOY-HNNXBMFYSA-N 1 0 319.489 4.234 50 0 DIAARO CC[C@@H]([NH3+])c1ccccc1OCc1ccccc1Br ZINC000037698602 182919638 /nfs/dbraw/zinc/91/96/38/182919638.db2.gz LHOVOWOEPOGJJZ-OAHLLOKOSA-N 1 0 320.230 4.438 50 0 DIAARO CC(C)[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccs1 ZINC000039985628 183026418 /nfs/dbraw/zinc/02/64/18/183026418.db2.gz LBMGVNQFGAZJOA-GOSISDBHSA-N 1 0 311.454 4.421 50 0 DIAARO c1cc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)n[nH]1 ZINC000039445899 183018663 /nfs/dbraw/zinc/01/86/63/183018663.db2.gz VPGAYMLCRSKRDS-HXUWFJFHSA-N 1 0 317.436 4.456 50 0 DIAARO O[C@H](c1ccccc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000041840891 183222244 /nfs/dbraw/zinc/22/22/44/183222244.db2.gz CTDVLAJTGZQELM-OAQYLSRUSA-N 1 0 309.453 4.065 50 0 DIAARO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(Br)cc1 ZINC000042209364 183242821 /nfs/dbraw/zinc/24/28/21/183242821.db2.gz KFTLUFXUKQBZQD-NSHDSACASA-N 1 0 306.203 4.006 50 0 DIAARO Clc1cc(Br)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042772260 183306770 /nfs/dbraw/zinc/30/67/70/183306770.db2.gz CBFQHMHLCRGZOA-NSHDSACASA-N 1 0 318.642 4.014 50 0 DIAARO Cc1cc(C)c(N2C=[N+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 ZINC000043681908 183380571 /nfs/dbraw/zinc/38/05/71/183380571.db2.gz SPZDFWKGLDHBCI-UHFFFAOYSA-N 1 0 323.504 4.441 50 0 DIAARO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(F)c1 ZINC000106108022 194184935 /nfs/dbraw/zinc/18/49/35/194184935.db2.gz FPDDPTLDINSGBI-FOIQADDNSA-N 1 0 313.416 4.160 50 0 DIAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2F)C1 ZINC000106343182 194199521 /nfs/dbraw/zinc/19/95/21/194199521.db2.gz LHJBCLDBYVWZGT-HOTGVXAUSA-N 1 0 317.791 4.007 50 0 DIAARO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000106544685 194228420 /nfs/dbraw/zinc/22/84/20/194228420.db2.gz AXCDKTZXGSMHMO-JHJVBQTASA-N 1 0 319.836 4.429 50 0 DIAARO C[C@@H](c1ccc2ccccc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000056494427 184013747 /nfs/dbraw/zinc/01/37/47/184013747.db2.gz PAVLRQJLYZNNRC-KRWDZBQOSA-N 1 0 308.469 4.461 50 0 DIAARO CCc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000057999860 184065890 /nfs/dbraw/zinc/06/58/90/184065890.db2.gz YJWOEFKJGYKMDQ-ZDUSSCGKSA-N 1 0 316.832 4.019 50 0 DIAARO C[C@@H]([NH2+]Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000058164006 184083337 /nfs/dbraw/zinc/08/33/37/184083337.db2.gz RFEYJAUQEFHKPM-OAHLLOKOSA-N 1 0 310.441 4.101 50 0 DIAARO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1 ZINC000058131386 184079014 /nfs/dbraw/zinc/07/90/14/184079014.db2.gz FHIHRBGMROQCIZ-JKSUJKDBSA-N 1 0 310.441 4.317 50 0 DIAARO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000058445820 184118895 /nfs/dbraw/zinc/11/88/95/184118895.db2.gz TYLDLDCHYPRFBR-LLVKDONJSA-N 1 0 323.223 4.283 50 0 DIAARO COc1ccc([C@H](C)[N@H+](C)CCO[C@@H]2CCCC[C@H]2C)cc1 ZINC000058932666 184132210 /nfs/dbraw/zinc/13/22/10/184132210.db2.gz QTNWFIKCEJOOLS-JTDSTZFVSA-N 1 0 305.462 4.283 50 0 DIAARO COc1ccc([C@H](C)[N@H+](C)CCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000058932670 184132344 /nfs/dbraw/zinc/13/23/44/184132344.db2.gz QTNWFIKCEJOOLS-TXPKVOOTSA-N 1 0 305.462 4.283 50 0 DIAARO CC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000060105681 184144483 /nfs/dbraw/zinc/14/44/83/184144483.db2.gz OSTAULSTMSIVAC-HNNXBMFYSA-N 1 0 300.402 4.115 50 0 DIAARO c1coc(-c2nnc(C[N@H+]3CCC[C@@H]3CC3CCCCC3)o2)c1 ZINC000061040298 184160038 /nfs/dbraw/zinc/16/00/38/184160038.db2.gz YXMSFIJJACEPFE-OAHLLOKOSA-N 1 0 315.417 4.264 50 0 DIAARO c1nc2c([nH]1)[C@H](c1cccc3c4ccccc4sc31)[NH2+]CC2 ZINC000065385951 184333596 /nfs/dbraw/zinc/33/35/96/184333596.db2.gz KKXLAWOBUOQBQR-INIZCTEOSA-N 1 0 305.406 4.013 50 0 DIAARO Oc1cccc(C[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)CC2)c1 ZINC000065393832 184334835 /nfs/dbraw/zinc/33/48/35/184334835.db2.gz AOXPEGQMNQPHCS-NRFANRHFSA-N 1 0 321.420 4.223 50 0 DIAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065409951 184339959 /nfs/dbraw/zinc/33/99/59/184339959.db2.gz PYYXVYPNICFOBE-INIZCTEOSA-N 1 0 303.409 4.337 50 0 DIAARO CC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ncccc1C ZINC000065497315 184355037 /nfs/dbraw/zinc/35/50/37/184355037.db2.gz IUGVTXHBMKEBOY-FQEVSTJZSA-N 1 0 323.484 4.095 50 0 DIAARO c1c(CN2CCCC[C@@H]2c2cccnc2)onc1-c1ccccc1 ZINC000216488938 257273757 /nfs/dbraw/zinc/27/37/57/257273757.db2.gz PBADSUWMZUVZKR-HXUWFJFHSA-N 1 0 319.408 4.464 50 0 DIAARO CC(C)C1CCC([NH2+]CCc2csc(N3CCCC3)n2)CC1 ZINC000236593286 257239597 /nfs/dbraw/zinc/23/95/97/257239597.db2.gz MDPDCNHLLRCXLK-UHFFFAOYSA-N 1 0 321.534 4.090 50 0 DIAARO Cc1c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)cnn1C(F)F ZINC000426728128 257243354 /nfs/dbraw/zinc/24/33/54/257243354.db2.gz BHVWYAQQQMXLIG-LBPRGKRZSA-N 1 0 305.372 4.410 50 0 DIAARO C[C@@H](c1ccc(-c2ccc(C(N)=O)s2)cc1)[NH+]1CCCCC1 ZINC000426722689 257243651 /nfs/dbraw/zinc/24/36/51/257243651.db2.gz SYJRANQKYBUFBE-ZDUSSCGKSA-N 1 0 314.454 4.061 50 0 DIAARO Cc1nc2c(c(-c3cccc([C@H](C)[NH+]4CCCC4)c3)n1)CCC2 ZINC000426511980 257247637 /nfs/dbraw/zinc/24/76/37/257247637.db2.gz CIHMRPSCNBVTME-AWEZNQCLSA-N 1 0 307.441 4.098 50 0 DIAARO Cc1nn(C(F)F)cc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000426504611 257248572 /nfs/dbraw/zinc/24/85/72/257248572.db2.gz PSKOXLPGHYLVBA-CYBMUJFWSA-N 1 0 305.372 4.410 50 0 DIAARO C[C@@H](c1ccc(-c2c[nH]nc2-c2ccncc2)cc1)[NH+]1CCCC1 ZINC000426412987 257251303 /nfs/dbraw/zinc/25/13/03/257251303.db2.gz PGRLUKGZJXRXDW-HNNXBMFYSA-N 1 0 318.424 4.296 50 0 DIAARO Cc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000244647025 257259447 /nfs/dbraw/zinc/25/94/47/257259447.db2.gz GTOXLWVKYOYTEF-NHCUHLMSSA-N 1 0 312.501 4.224 50 0 DIAARO C[C@H]1N(O)C(c2ccccc2)=C(c2ccccc2)[N+](=O)C1(C)C ZINC000334157296 257261644 /nfs/dbraw/zinc/26/16/44/257261644.db2.gz VSYBQWIUEJNUAN-CQSZACIVSA-N 1 0 309.389 4.163 50 0 DIAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(OC2CCOCC2)cc1 ZINC000132237295 196237858 /nfs/dbraw/zinc/23/78/58/196237858.db2.gz RGWVUYRAUAGNLU-GUXCAODWSA-N 1 0 317.473 4.474 50 0 DIAARO COc1ccc(C[NH2+]Cc2cccc3ccccc32)c(OC)c1 ZINC000004685478 262526400 /nfs/dbraw/zinc/52/64/00/262526400.db2.gz HEMILSIYIDXJEW-UHFFFAOYSA-N 1 0 307.393 4.147 50 0 DIAARO C[C@@H](c1ccc(-c2ccc(O)c(CO)c2)cc1)[NH+]1CCCCC1 ZINC000534641273 334311124 /nfs/dbraw/zinc/31/11/24/334311124.db2.gz QGDOOMDIZDPYAO-HNNXBMFYSA-N 1 0 311.425 4.098 50 0 DIAARO COc1ccc([C@H]([NH2+]Cc2scnc2C)C(C)C)c(F)c1 ZINC000421840298 337653286 /nfs/dbraw/zinc/65/32/86/337653286.db2.gz YPEVXFLZGMBXPN-MRXNPFEDSA-N 1 0 308.422 4.086 50 0 DIAARO c1ccc(CCN2CCC([NH2+]CCC3=CCCCC3)CC2)cc1 ZINC000002498880 340430864 /nfs/dbraw/zinc/43/08/64/340430864.db2.gz COJUCPWZTNALIT-UHFFFAOYSA-N 1 0 312.501 4.174 50 0 DIAARO Cc1ncsc1CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000074331611 341144038 /nfs/dbraw/zinc/14/40/38/341144038.db2.gz XKSACSQDNDDJNS-UHFFFAOYSA-N 1 0 314.376 4.145 50 0 DIAARO FC(F)(F)c1cccc([C@@H]([NH2+]C2CCOCC2)C2CCC2)c1 ZINC000367439707 527686245 /nfs/dbraw/zinc/68/62/45/527686245.db2.gz WKWCHKGGXHOUDI-INIZCTEOSA-N 1 0 313.363 4.315 50 0 DIAARO CCC[N@H+](CCc1cccs1)[C@@H]1CCc2c(O)cccc2C1 ZINC000000005151 563211136 /nfs/dbraw/zinc/21/11/36/563211136.db2.gz KFQYTPMOWPVWEJ-MRXNPFEDSA-N 1 0 315.482 4.266 50 0 fda DIAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(-c2ccccc2)cc1 ZINC000000063783 563212569 /nfs/dbraw/zinc/21/25/69/563212569.db2.gz HWSIDZQOIIQFMV-UHFFFAOYSA-N 1 0 308.425 4.168 50 0 DIAARO c1ccc(Cc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000000174019 563227874 /nfs/dbraw/zinc/22/78/74/563227874.db2.gz VLYNCEGTKLNTLR-UHFFFAOYSA-N 1 0 319.452 4.113 50 0 DIAARO C[C@@H]1CCC[N@@H+](C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000000207759 563230090 /nfs/dbraw/zinc/23/00/90/563230090.db2.gz MGTHDFJCMPGPPB-OAHLLOKOSA-N 1 0 306.881 4.036 50 0 DIAARO C[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000000207757 563230440 /nfs/dbraw/zinc/23/04/40/563230440.db2.gz MGTHDFJCMPGPPB-HNNXBMFYSA-N 1 0 306.881 4.036 50 0 DIAARO CC(C)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000238475 563232130 /nfs/dbraw/zinc/23/21/30/563232130.db2.gz GBMSHFFIOUKMGH-UHFFFAOYSA-N 1 0 312.432 4.271 50 0 DIAARO COc1ccccc1Nc1cc(C)[nH+]c2c(C)c(C)cc(N)c12 ZINC000000348936 563243034 /nfs/dbraw/zinc/24/30/34/563243034.db2.gz MHLPRXWFTYXQEE-UHFFFAOYSA-N 1 0 307.397 4.494 50 0 DIAARO Fc1ccccc1COc1cccc(C[NH2+]Cc2ccncc2)c1 ZINC000000360376 563244372 /nfs/dbraw/zinc/24/43/72/563244372.db2.gz FXPGJDAMUCOOSH-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO Cc1c(Cl)cccc1NC(=O)CC[N@@H+](C)Cc1ccccc1 ZINC000000454911 563257415 /nfs/dbraw/zinc/25/74/15/563257415.db2.gz HYBINFIQNVMLGO-UHFFFAOYSA-N 1 0 316.832 4.109 50 0 DIAARO CC[NH+](CC)CCOC(=O)N(c1ccccc1)c1ccccc1 ZINC000001692923 563291872 /nfs/dbraw/zinc/29/18/72/563291872.db2.gz YDUHWSSRUBOPKZ-UHFFFAOYSA-N 1 0 312.413 4.303 50 0 in-man DIAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCCCC1 ZINC000002013843 563297871 /nfs/dbraw/zinc/29/78/71/563297871.db2.gz XZMXXDXFHOVSEF-KRWDZBQOSA-N 1 0 322.452 4.031 50 0 DIAARO Cc1nc2c3cc(F)ccc3n(CC[NH+]3CCCCC3)c2s1 ZINC000002212979 563302076 /nfs/dbraw/zinc/30/20/76/563302076.db2.gz IVZMEVTZCNEYMJ-UHFFFAOYSA-N 1 0 317.433 4.184 50 0 DIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000002514581 563305025 /nfs/dbraw/zinc/30/50/25/563305025.db2.gz PQDAZQDKODDKSQ-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO CSc1ccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000002515059 563306292 /nfs/dbraw/zinc/30/62/92/563306292.db2.gz UCDSMDHBUCWIFV-UHFFFAOYSA-N 1 0 311.450 4.235 50 0 DIAARO Cc1cc(Br)ccc1OCCCC[NH2+]C(C)(C)C ZINC000003000984 563320434 /nfs/dbraw/zinc/32/04/34/563320434.db2.gz IPIFRBXBBIBXHI-UHFFFAOYSA-N 1 0 314.267 4.305 50 0 DIAARO CCOc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000004980698 563328085 /nfs/dbraw/zinc/32/80/85/563328085.db2.gz UEJFBFMEIHNFHZ-UHFFFAOYSA-N 1 0 324.468 4.024 50 0 DIAARO CC(=O)c1ccc(N2CC[NH+](C3CCCCCCC3)CC2)cc1 ZINC000004981249 563328348 /nfs/dbraw/zinc/32/83/48/563328348.db2.gz RYEPEWKFXSGNKW-UHFFFAOYSA-N 1 0 314.473 4.124 50 0 DIAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(F)cc1 ZINC000006883582 563334452 /nfs/dbraw/zinc/33/44/52/563334452.db2.gz JZCQIQPXYAUJFI-UHFFFAOYSA-N 1 0 317.404 4.159 50 0 DIAARO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000002694431 563338590 /nfs/dbraw/zinc/33/85/90/563338590.db2.gz FCQJRYIQFHLBRG-AEFFLSMTSA-N 1 0 319.489 4.204 50 0 DIAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1 ZINC000007540915 563339673 /nfs/dbraw/zinc/33/96/73/563339673.db2.gz AYROCJHUXYFBCN-ZDUSSCGKSA-N 1 0 313.422 4.351 50 0 DIAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(C)cc1 ZINC000008550121 563348012 /nfs/dbraw/zinc/34/80/12/563348012.db2.gz QDRREOAKFHQHDQ-UHFFFAOYSA-N 1 0 313.441 4.471 50 0 DIAARO Cc1[nH]c2ccccc2c(=O)c1C[NH+](CC(C)C)CC(C)C ZINC000008700831 563348952 /nfs/dbraw/zinc/34/89/52/563348952.db2.gz YIRNZSGHZABRAF-UHFFFAOYSA-N 1 0 300.446 4.363 50 0 DIAARO O=C(Nc1ccccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010372220 563356552 /nfs/dbraw/zinc/35/65/52/563356552.db2.gz LYLZUODJQWHIDD-UHFFFAOYSA-N 1 0 314.816 4.188 50 0 DIAARO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc2c(c1)CCCC2 ZINC000071922669 563357319 /nfs/dbraw/zinc/35/73/19/563357319.db2.gz PESMVQFOUXTIGP-OAHLLOKOSA-N 1 0 311.473 4.368 50 0 DIAARO Cc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1C ZINC000011874769 563359666 /nfs/dbraw/zinc/35/96/66/563359666.db2.gz KLDIAIYZWSEGTK-QFIPXVFZSA-N 1 0 323.480 4.121 50 0 DIAARO Cc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1C ZINC000011874770 563359706 /nfs/dbraw/zinc/35/97/06/563359706.db2.gz KLDIAIYZWSEGTK-JOCHJYFZSA-N 1 0 323.480 4.121 50 0 DIAARO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C(C1CC1)C1CC1 ZINC000012056883 563361185 /nfs/dbraw/zinc/36/11/85/563361185.db2.gz AAOTXCBCHZWPRJ-UHFFFAOYSA-N 1 0 317.820 4.010 50 0 DIAARO CC(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012151098 563363232 /nfs/dbraw/zinc/36/32/32/563363232.db2.gz WHUGFVVYKCADRX-OAHLLOKOSA-N 1 0 301.409 4.051 50 0 DIAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000012387081 563368505 /nfs/dbraw/zinc/36/85/05/563368505.db2.gz DXZUGEBKHROFSJ-AWEZNQCLSA-N 1 0 323.889 4.130 50 0 DIAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1C ZINC000012439791 563370147 /nfs/dbraw/zinc/37/01/47/563370147.db2.gz QMRPJUIDZIQDDB-INIZCTEOSA-N 1 0 315.457 4.149 50 0 DIAARO Fc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 ZINC000012524448 563370984 /nfs/dbraw/zinc/37/09/84/563370984.db2.gz MWUMEUOBDPYUMW-UHFFFAOYSA-N 1 0 311.405 4.067 50 0 DIAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000012593655 563371667 /nfs/dbraw/zinc/37/16/67/563371667.db2.gz GXRVLDPMNOIEEA-HNNXBMFYSA-N 1 0 303.471 4.269 50 0 DIAARO Cc1cc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1C(C)C ZINC000013154954 563379272 /nfs/dbraw/zinc/37/92/72/563379272.db2.gz AKQJFRFSGLFOOG-KSZLIROESA-N 1 0 319.489 4.121 50 0 DIAARO CC[C@H]1C[N@H+](C)CC[C@@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000013635458 563384202 /nfs/dbraw/zinc/38/42/02/563384202.db2.gz OJLWUEFIEDXWFB-RXVVDRJESA-N 1 0 323.436 4.101 50 0 DIAARO CCOc1cccc(C[NH2+]C)c1OCc1ccc(Cl)cc1 ZINC000013717511 563387272 /nfs/dbraw/zinc/38/72/72/563387272.db2.gz BYEFUGJJMBHWHW-UHFFFAOYSA-N 1 0 305.805 4.037 50 0 DIAARO Fc1cccc(CC[C@@H]2CCC[N@H+](Cc3nccs3)C2)c1 ZINC000014974416 563404753 /nfs/dbraw/zinc/40/47/53/563404753.db2.gz NRQZBVRXGJOXMT-HNNXBMFYSA-N 1 0 304.434 4.127 50 0 DIAARO Cc1c([C@@H](C)[NH2+]Cc2ccccc2)cnn1-c1cccc(F)c1 ZINC000015072613 563406571 /nfs/dbraw/zinc/40/65/71/563406571.db2.gz FFJXXMRKEVMWQK-CQSZACIVSA-N 1 0 309.388 4.171 50 0 DIAARO CC(C)(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000015069761 563406583 /nfs/dbraw/zinc/40/65/83/563406583.db2.gz OFFUGHOQBXGIFF-OAHLLOKOSA-N 1 0 315.436 4.441 50 0 DIAARO CC(C)(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000015069763 563406909 /nfs/dbraw/zinc/40/69/09/563406909.db2.gz OFFUGHOQBXGIFF-HNNXBMFYSA-N 1 0 315.436 4.441 50 0 DIAARO CCN(CC)c1ncccc1C[NH2+]Cc1[nH]c2ccccc2c1C ZINC000015078901 563406914 /nfs/dbraw/zinc/40/69/14/563406914.db2.gz YLYXQZUZSSJXMY-UHFFFAOYSA-N 1 0 322.456 4.007 50 0 DIAARO Cc1cccc(N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1C ZINC000023157246 563420023 /nfs/dbraw/zinc/42/00/23/563420023.db2.gz WPTJQRPJBCUVFJ-UHFFFAOYSA-N 1 0 319.452 4.107 50 0 DIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1 ZINC000027143735 563427462 /nfs/dbraw/zinc/42/74/62/563427462.db2.gz COCISMFAYLEGKA-UHFFFAOYSA-N 1 0 312.388 4.064 50 0 DIAARO CCC(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027661961 563429533 /nfs/dbraw/zinc/42/95/33/563429533.db2.gz SLYQMQCVXSLDQI-KRWDZBQOSA-N 1 0 322.880 4.029 50 0 DIAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2sccc2C)cc1 ZINC000030640814 563437668 /nfs/dbraw/zinc/43/76/68/563437668.db2.gz GYTYJCOFHGOCIJ-ZDUSSCGKSA-N 1 0 302.443 4.256 50 0 DIAARO COc1ccc(/C=C/c2cc[n+](Cc3ccccc3)cc2)cc1 ZINC000003100105 563439786 /nfs/dbraw/zinc/43/97/86/563439786.db2.gz ZZIYHNCPHDMVGA-BQYQJAHWSA-N 1 0 302.397 4.201 50 0 DIAARO CC(=O)Nc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000000213453 563446830 /nfs/dbraw/zinc/44/68/30/563446830.db2.gz IJOFELMQRBCESJ-UHFFFAOYSA-N 1 0 324.399 4.073 50 0 DIAARO Cc1cc([C@H]2CCCN2Cc2cccc(Br)c2)on1 ZINC000052008230 563468707 /nfs/dbraw/zinc/46/87/07/563468707.db2.gz ZPOWSDRHUAJGHM-CQSZACIVSA-N 1 0 321.218 4.083 50 0 DIAARO Fc1ccc(-c2cccc(N3CCC([NH2+]C4CC4)CC3)c2)cc1 ZINC000055119001 563471982 /nfs/dbraw/zinc/47/19/82/563471982.db2.gz OHBLIKMKZQILBT-UHFFFAOYSA-N 1 0 310.416 4.214 50 0 DIAARO COc1ccc(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)cc1O ZINC000055271672 563473982 /nfs/dbraw/zinc/47/39/82/563473982.db2.gz ZZJIPCHINJULGE-CQSZACIVSA-N 1 0 303.402 4.041 50 0 DIAARO CCC[N@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1cccnc1 ZINC000055415054 563475433 /nfs/dbraw/zinc/47/54/33/563475433.db2.gz KOOVXJSMDOBDBP-QGZVFWFLSA-N 1 0 316.470 4.407 50 0 DIAARO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1ccc(O)c(Cl)c1 ZINC000063847250 563485126 /nfs/dbraw/zinc/48/51/26/563485126.db2.gz UOSJZNFBGHLOJI-ZDUSSCGKSA-N 1 0 304.821 4.241 50 0 DIAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cccc3cnccc32)c1 ZINC000063847518 563485345 /nfs/dbraw/zinc/48/53/45/563485345.db2.gz JDSPTVDKYIOZAP-INIZCTEOSA-N 1 0 305.425 4.001 50 0 DIAARO CCC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2cnc(C)s2)cc1 ZINC000096485581 563485459 /nfs/dbraw/zinc/48/54/59/563485459.db2.gz WDCGXGQBNOFSSI-NWDGAFQWSA-N 1 0 317.458 4.212 50 0 DIAARO COc1ccc(Oc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000067514296 563488020 /nfs/dbraw/zinc/48/80/20/563488020.db2.gz ZMEUOJGDIBHPCA-UHFFFAOYSA-N 1 0 313.397 4.092 50 0 DIAARO C[C@]12CCCC(=O)[C@H]1[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000068677146 563495461 /nfs/dbraw/zinc/49/54/61/563495461.db2.gz XCTUOBOQUJSQJX-BURNTYAHSA-N 1 0 305.421 4.448 50 0 DIAARO CC1(C)CCc2ccccc2[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000097033757 563504092 /nfs/dbraw/zinc/50/40/92/563504092.db2.gz NWXJMWPDVBVHIW-GOSISDBHSA-N 1 0 322.443 4.019 50 0 DIAARO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000097033756 563504548 /nfs/dbraw/zinc/50/45/48/563504548.db2.gz NWXJMWPDVBVHIW-SFHVURJKSA-N 1 0 322.443 4.019 50 0 DIAARO CCC(=O)Nc1ccc(C)c(NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000097037011 563517061 /nfs/dbraw/zinc/51/70/61/563517061.db2.gz YPJBEVTTZACDIH-UHFFFAOYSA-N 1 0 317.477 4.018 50 0 DIAARO CC(C)[N@H+](C)Cc1ccc(NC(=O)c2ccoc2C2CC2)cc1 ZINC000585140542 563519280 /nfs/dbraw/zinc/51/92/80/563519280.db2.gz GSAKDRHOEXXUIA-UHFFFAOYSA-N 1 0 312.413 4.250 50 0 DIAARO Cc1cc(NCc2ccccc2)nc(NCc2ccccc2)[nH+]1 ZINC000000073449 563522728 /nfs/dbraw/zinc/52/27/28/563522728.db2.gz OTEYDVXTQBPLOL-UHFFFAOYSA-N 1 0 304.397 4.009 50 0 DIAARO C[C@H](c1ccc(-c2ncnc3[nH]ccc32)cc1)[NH+]1CCCCC1 ZINC000097521956 563540420 /nfs/dbraw/zinc/54/04/20/563540420.db2.gz QJHICZVGARPPML-CQSZACIVSA-N 1 0 306.413 4.172 50 0 DIAARO COc1ccc(C(=O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000346098 563589379 /nfs/dbraw/zinc/58/93/79/563589379.db2.gz AWFRFXXLSFRWKY-FQEVSTJZSA-N 1 0 323.436 4.148 50 0 DIAARO FC(F)(F)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000000238474 563628655 /nfs/dbraw/zinc/62/86/55/563628655.db2.gz RWQJEXJRMSRPDN-UHFFFAOYSA-N 1 0 320.358 4.028 50 0 DIAARO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000001229317 563633622 /nfs/dbraw/zinc/63/36/22/563633622.db2.gz SFFYUXMUPIMEJO-IBGZPJMESA-N 1 0 322.496 4.262 50 0 DIAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000012383624 563652305 /nfs/dbraw/zinc/65/23/05/563652305.db2.gz CTTRIVBSWYFXMI-ZDUSSCGKSA-N 1 0 323.358 4.435 50 0 DIAARO COc1ccc(C[C@@H](C)[NH2+]CCC2=CCCCC2)cc1OC ZINC000012383598 563652443 /nfs/dbraw/zinc/65/24/43/563652443.db2.gz ZBGAECRVLFXUHD-OAHLLOKOSA-N 1 0 303.446 4.115 50 0 DIAARO Cc1cc(C)cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000045958323 563690933 /nfs/dbraw/zinc/69/09/33/563690933.db2.gz MQOXZVNMMDVLES-KRWDZBQOSA-N 1 0 317.477 4.080 50 0 DIAARO Cc1cc([C@@H]2CCCN2Cc2coc(-c3ccc(C)cc3)n2)on1 ZINC000048262149 563693993 /nfs/dbraw/zinc/69/39/93/563693993.db2.gz ZDJBIKHGQBMBAY-KRWDZBQOSA-N 1 0 323.396 4.284 50 0 DIAARO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(F)c1 ZINC000048368795 563698277 /nfs/dbraw/zinc/69/82/77/563698277.db2.gz FPDDPTLDINSGBI-YWZLYKJASA-N 1 0 313.416 4.160 50 0 DIAARO CC(C)c1nc(CN2CC=C(c3ccc(F)cc3)CC2)co1 ZINC000216367691 563709083 /nfs/dbraw/zinc/70/90/83/563709083.db2.gz MZGHPNCCMDRPLC-UHFFFAOYSA-N 1 0 300.377 4.226 50 0 DIAARO COc1cccc(C[NH2+][C@H]2CCSc3ccccc32)c1OC ZINC000008328514 563721532 /nfs/dbraw/zinc/72/15/32/563721532.db2.gz OLRCSDHTKNVLOZ-HNNXBMFYSA-N 1 0 315.438 4.031 50 0 DIAARO CC[NH+](CC)CCOC(=O)[C@H](c1cccs1)[C@H]1C=CCCC1 ZINC000033648790 563725151 /nfs/dbraw/zinc/72/51/51/563725151.db2.gz KYNUPCMVBZSOJZ-RDJZCZTQSA-N 1 0 321.486 4.073 50 0 DIAARO CC(C)([NH2+]CCc1cccc2ccccc21)[C@@H](O)c1ccccc1 ZINC000039248423 563744057 /nfs/dbraw/zinc/74/40/57/563744057.db2.gz RBIAWPWWQYCFBO-NRFANRHFSA-N 1 0 319.448 4.484 50 0 DIAARO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000225413473 563754085 /nfs/dbraw/zinc/75/40/85/563754085.db2.gz ATOQGYVKUHKFHI-MDASCCDHSA-N 1 0 314.473 4.381 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@@H](c2cccs2)C(C)C)cc1 ZINC000035016935 563795306 /nfs/dbraw/zinc/79/53/06/563795306.db2.gz CWLGAOSWBCSHHR-QGZVFWFLSA-N 1 0 302.443 4.193 50 0 DIAARO C[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000001229349 563802807 /nfs/dbraw/zinc/80/28/07/563802807.db2.gz GBUUCRUNSONKDL-SFHVURJKSA-N 1 0 308.469 4.044 50 0 DIAARO Cc1nc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)oc1C ZINC000064249452 563872948 /nfs/dbraw/zinc/87/29/48/563872948.db2.gz OEYVADIEZSJYRJ-OAHLLOKOSA-N 1 0 304.821 4.152 50 0 DIAARO CC(C)[C@@H]([NH2+]C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000090664411 563873323 /nfs/dbraw/zinc/87/33/23/563873323.db2.gz VONJRMZOFJTJLS-OAHLLOKOSA-N 1 0 301.352 4.171 50 0 DIAARO OCC[N@H+](Cc1ccccc1)Cc1ccc(-c2ccccc2)cc1 ZINC000001226217 563874405 /nfs/dbraw/zinc/87/44/05/563874405.db2.gz RRCSFMPFZAMTCM-UHFFFAOYSA-N 1 0 317.432 4.348 50 0 DIAARO CC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1c(C)noc1C ZINC000090886635 563876670 /nfs/dbraw/zinc/87/66/70/563876670.db2.gz ZHENVOOVVMCWIS-GTNSWQLSSA-N 1 0 315.417 4.052 50 0 DIAARO O[C@@H](C[NH2+]C1CCCCC1)Cn1c2ccccc2c2ccccc21 ZINC000001909572 563883946 /nfs/dbraw/zinc/88/39/46/563883946.db2.gz VKKYZYNAWYQWQN-KRWDZBQOSA-N 1 0 322.452 4.078 50 0 DIAARO Cc1[nH]c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2c1C ZINC000023898636 563890294 /nfs/dbraw/zinc/89/02/94/563890294.db2.gz JWXBJLJNXGHSHQ-UHFFFAOYSA-N 1 0 321.424 4.099 50 0 DIAARO Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCc2ccccc2C1 ZINC000035999900 563891707 /nfs/dbraw/zinc/89/17/07/563891707.db2.gz KLDSETZVRUSJAM-UHFFFAOYSA-N 1 0 318.420 4.026 50 0 DIAARO Cc1scc(C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)c1C ZINC000006797697 563894630 /nfs/dbraw/zinc/89/46/30/563894630.db2.gz JNNPLMSYXVJQKU-HNNXBMFYSA-N 1 0 314.498 4.384 50 0 DIAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016280 563901139 /nfs/dbraw/zinc/90/11/39/563901139.db2.gz LJPZRZPBKPEFGG-IRXDYDNUSA-N 1 0 322.452 4.417 50 0 DIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016282 563901324 /nfs/dbraw/zinc/90/13/24/563901324.db2.gz LJPZRZPBKPEFGG-IAGOWNOFSA-N 1 0 322.452 4.417 50 0 DIAARO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000007043155 563901621 /nfs/dbraw/zinc/90/16/21/563901621.db2.gz QJKKSFDPFVMOBS-XOBRGWDASA-N 1 0 318.420 4.406 50 0 DIAARO C[C@H]([NH2+]Cc1ccccc1Oc1cccnc1)c1ccncc1 ZINC000170074416 563903522 /nfs/dbraw/zinc/90/35/22/563903522.db2.gz INOBNOGNTXWLAY-HNNXBMFYSA-N 1 0 305.381 4.120 50 0 DIAARO CCOc1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)cc1F ZINC000170085045 563903552 /nfs/dbraw/zinc/90/35/52/563903552.db2.gz UHSRESHHSGXHHV-GOSISDBHSA-N 1 0 314.404 4.261 50 0 DIAARO C[C@@H]([NH2+]Cc1ccccc1Oc1cccnc1)c1ccncc1 ZINC000170074419 563903625 /nfs/dbraw/zinc/90/36/25/563903625.db2.gz INOBNOGNTXWLAY-OAHLLOKOSA-N 1 0 305.381 4.120 50 0 DIAARO c1ccc(CSCC[NH2+]CCSCc2ccccc2)cc1 ZINC000003151756 563905705 /nfs/dbraw/zinc/90/57/05/563905705.db2.gz FMFUWFYPONWFSJ-UHFFFAOYSA-N 1 0 317.523 4.443 50 0 DIAARO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000007384111 563905847 /nfs/dbraw/zinc/90/58/47/563905847.db2.gz GJPPZKHLUMREPU-QWRGUYRKSA-N 1 0 315.244 4.052 50 0 DIAARO CC[C@@H](C)[C@@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1 ZINC000002168041 563915649 /nfs/dbraw/zinc/91/56/49/563915649.db2.gz YHOBTARVXRPKOX-SJLPKXTDSA-N 1 0 305.462 4.091 50 0 DIAARO CC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037560634 563918834 /nfs/dbraw/zinc/91/88/34/563918834.db2.gz NYZCEXWSBJHJIZ-UHFFFAOYSA-N 1 0 322.452 4.013 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@@H]3C)c2cc1Cl ZINC000002358055 563927227 /nfs/dbraw/zinc/92/72/27/563927227.db2.gz IWBGOPQIZMLDEE-LBPRGKRZSA-N 1 0 305.805 4.129 50 0 DIAARO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1)Nc1ccccc1 ZINC000079103719 563930234 /nfs/dbraw/zinc/93/02/34/563930234.db2.gz VWFOIORFOGTVHU-GHTZIAJQSA-N 1 0 320.436 4.026 50 0 DIAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000095422816 563931289 /nfs/dbraw/zinc/93/12/89/563931289.db2.gz BUUXQPAZANUZCE-QWRGUYRKSA-N 1 0 315.442 4.183 50 0 DIAARO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000095420465 563931321 /nfs/dbraw/zinc/93/13/21/563931321.db2.gz XQMZYHSYNSWXSK-KBPBESRZSA-N 1 0 316.470 4.127 50 0 DIAARO CC(C)C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccn1 ZINC000095420346 563931325 /nfs/dbraw/zinc/93/13/25/563931325.db2.gz LOWWDJSHMAVPOG-HXUWFJFHSA-N 1 0 320.440 4.144 50 0 DIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)c2cccs2)c1 ZINC000095422756 563931455 /nfs/dbraw/zinc/93/14/55/563931455.db2.gz DKQYXICNERAQJL-QWHCGFSZSA-N 1 0 302.443 4.161 50 0 DIAARO Cc1nnc([C@H](C)[NH2+]CC2(c3cccc(C)c3)CCCCC2)o1 ZINC000095958778 563932422 /nfs/dbraw/zinc/93/24/22/563932422.db2.gz HSJONVPTOFRTOI-HNNXBMFYSA-N 1 0 313.445 4.239 50 0 DIAARO Cc1cc(C)n(C[C@@H](C)C[NH2+][C@H]2CC(C)(C)Cc3occc32)n1 ZINC000095967320 563932991 /nfs/dbraw/zinc/93/29/91/563932991.db2.gz ZJNQTUBSEBZFSC-GUYCJALGSA-N 1 0 315.461 4.032 50 0 DIAARO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc2ccccc2o1 ZINC000095968312 563933138 /nfs/dbraw/zinc/93/31/38/563933138.db2.gz PLLXCXITFDWIDE-PXAZEXFGSA-N 1 0 301.411 4.053 50 0 DIAARO CC(C)(C)[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc2ccccc2o1 ZINC000095996221 563934492 /nfs/dbraw/zinc/93/44/92/563934492.db2.gz HMYDAORUHYSJSZ-KSSFIOAISA-N 1 0 313.397 4.436 50 0 DIAARO c1ccc(CCC2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000096027184 563935048 /nfs/dbraw/zinc/93/50/48/563935048.db2.gz OMMBRFHBBTZZKI-UHFFFAOYSA-N 1 0 309.453 4.410 50 0 DIAARO CC[NH+](CC)C[C@@H](OC(=O)Nc1ccccc1)c1ccccc1 ZINC000096026586 563935084 /nfs/dbraw/zinc/93/50/84/563935084.db2.gz ZHQISMFUAVSTTO-GOSISDBHSA-N 1 0 312.413 4.318 50 0 DIAARO CC[NH+](CC)CCCc1ccccc1NC(=O)c1cccs1 ZINC000096028028 563935274 /nfs/dbraw/zinc/93/52/74/563935274.db2.gz DNSTYZDZSWUJKY-UHFFFAOYSA-N 1 0 316.470 4.275 50 0 DIAARO CCC[C@]1(CC[NH2+][C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 ZINC000096115344 563935521 /nfs/dbraw/zinc/93/55/21/563935521.db2.gz UWNBQNKLNFHFPE-LPHOPBHVSA-N 1 0 311.510 4.299 50 0 biogenic DIAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1F ZINC000096479131 563937447 /nfs/dbraw/zinc/93/74/47/563937447.db2.gz QZVPVJIFTPPAJL-CHWSQXEVSA-N 1 0 313.376 4.325 50 0 DIAARO CCc1c(C)scc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000057992738 563943525 /nfs/dbraw/zinc/94/35/25/563943525.db2.gz BQXMTELPWFXWRV-UHFFFAOYSA-N 1 0 318.461 4.080 50 0 DIAARO CCc1c(C)scc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057992737 563943532 /nfs/dbraw/zinc/94/35/32/563943532.db2.gz MEGZOGVQYGEFBX-UHFFFAOYSA-N 1 0 318.461 4.080 50 0 DIAARO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccccc32)cc1 ZINC000008314497 563947773 /nfs/dbraw/zinc/94/77/73/563947773.db2.gz YBSKUYQIWSCGTN-MRXNPFEDSA-N 1 0 322.452 4.050 50 0 DIAARO CC(C)C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000070036500 563955822 /nfs/dbraw/zinc/95/58/22/563955822.db2.gz ZXLVDYVUYQZQNE-UHFFFAOYSA-N 1 0 309.837 4.122 50 0 DIAARO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000009549106 563956807 /nfs/dbraw/zinc/95/68/07/563956807.db2.gz UVCWCXHGFKCDJW-NBOOPKSLSA-N 1 0 302.462 4.126 50 0 DIAARO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000010310936 563958453 /nfs/dbraw/zinc/95/84/53/563958453.db2.gz PWRMCPRDMQFLRX-SFHVURJKSA-N 1 0 308.425 4.079 50 0 DIAARO CC(=O)Nc1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000071857539 563959358 /nfs/dbraw/zinc/95/93/58/563959358.db2.gz ZQNVCORGIAEWBY-HXUWFJFHSA-N 1 0 308.425 4.276 50 0 DIAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C[C@@H]2CCCO2)o1 ZINC000007538927 568412378 /nfs/dbraw/zinc/41/23/78/568412378.db2.gz ZSMBATONJUXBJZ-ZDUSSCGKSA-N 1 0 305.805 4.177 50 0 DIAARO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000008485260 568416381 /nfs/dbraw/zinc/41/63/81/568416381.db2.gz ZYBSBDPHPGLLNS-UHFFFAOYSA-N 1 0 315.244 4.196 50 0 DIAARO CCCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000022147173 1036734911 /nfs/dbraw/zinc/73/49/11/1036734911.db2.gz VBLZSKOJXRSMPP-KRWDZBQOSA-N 1 0 321.505 4.183 50 0 DIAARO CC1(C)C[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000160464433 1037070897 /nfs/dbraw/zinc/07/08/97/1037070897.db2.gz QQWGEJXCBISCOL-MRXNPFEDSA-N 1 0 303.446 4.055 50 0 DIAARO C[C@H]1CCC[N@H+](CCCOc2cc(Cl)ccc2Cl)C1 ZINC000002822884 1040114076 /nfs/dbraw/zinc/11/40/76/1040114076.db2.gz IBVXGCVRFYPIRL-LBPRGKRZSA-N 1 0 302.245 4.494 50 0 DIAARO CC[C@@H]([NH2+][C@H](C)c1ccc(C(F)F)nc1)c1c(C)noc1C ZINC000657933210 1040192830 /nfs/dbraw/zinc/19/28/30/1040192830.db2.gz PRWJOEZLZYRFQF-NOZJJQNGSA-N 1 0 309.360 4.426 50 0 DIAARO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000023282740 1040563643 /nfs/dbraw/zinc/56/36/43/1040563643.db2.gz LESQVAZXTQEGBR-AWEZNQCLSA-N 1 0 303.833 4.460 50 0 DIAARO CCn1c2ccccc2c2cc(C[NH+]3CCSCC3)ccc21 ZINC000003684014 1041255518 /nfs/dbraw/zinc/25/55/18/1041255518.db2.gz GHOJSQLIVZIWRA-UHFFFAOYSA-N 1 0 310.466 4.363 50 0 DIAARO c1cc2cc(C[N@H+]3CC[C@@H](CCOc4ccccc4)C3)ccc2[nH]1 ZINC000257175404 1041541247 /nfs/dbraw/zinc/54/12/47/1041541247.db2.gz OXGJMYWCCNEVRJ-KRWDZBQOSA-N 1 0 320.436 4.459 50 0 DIAARO c1cc2cc(C[N@H+]3CC[C@H](CCOc4ccccc4)C3)ccc2[nH]1 ZINC000257175405 1041541626 /nfs/dbraw/zinc/54/16/26/1041541626.db2.gz OXGJMYWCCNEVRJ-QGZVFWFLSA-N 1 0 320.436 4.459 50 0 DIAARO CC(C)=CCC[C@H](C)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019633132 1041720612 /nfs/dbraw/zinc/72/06/12/1041720612.db2.gz NKKQBJDCFWZFFP-IBGZPJMESA-N 1 0 300.490 4.187 50 0 DIAARO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccccc1Cl ZINC000046037255 1041960298 /nfs/dbraw/zinc/96/02/98/1041960298.db2.gz OZDUOFPLUCZIBS-ROUUACIJSA-N 1 0 301.817 4.211 50 0 DIAARO O[C@H](C[N@H+](Cc1cccs1)C1CC1)c1ccccc1Cl ZINC000046054387 1041960541 /nfs/dbraw/zinc/96/05/41/1041960541.db2.gz GIEUBQDYIINCTP-MRXNPFEDSA-N 1 0 307.846 4.100 50 0 DIAARO CCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1C)c1ccccc1 ZINC000048353973 1041991913 /nfs/dbraw/zinc/99/19/13/1041991913.db2.gz NSYFHNRPUKBONW-FQEVSTJZSA-N 1 0 322.452 4.185 50 0 DIAARO CCC[N@H+](CCO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004987268 1042123980 /nfs/dbraw/zinc/12/39/80/1042123980.db2.gz ZHAVGQDWOJUXKJ-UHFFFAOYSA-N 1 0 321.505 4.192 50 0 DIAARO CCOC1CC2(C1)CC[N@H+](Cc1ccc(C(C)(C)C)s1)C2 ZINC000585084554 1042205855 /nfs/dbraw/zinc/20/58/55/1042205855.db2.gz UUSDDWKZPFTYIK-UHFFFAOYSA-N 1 0 307.503 4.437 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccc(C)cc2)c2ccccc12 ZINC000888096209 1042263778 /nfs/dbraw/zinc/26/37/78/1042263778.db2.gz NXEQKZJFHDTUKG-UHFFFAOYSA-N 1 0 305.421 4.489 50 0 DIAARO c1ccc([C@@H](CC2CCC2)[NH2+][C@H]2COCc3ncccc32)cc1 ZINC000888101081 1042266353 /nfs/dbraw/zinc/26/63/53/1042266353.db2.gz YQDUKRNXPURFRL-QUCCMNQESA-N 1 0 308.425 4.174 50 0 DIAARO COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)C2CCC2)c1 ZINC000178738756 1042444711 /nfs/dbraw/zinc/44/47/11/1042444711.db2.gz QWMCRMJUWJFYJG-AWEZNQCLSA-N 1 0 312.413 4.161 50 0 DIAARO CCc1ncc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)cn1 ZINC000216080992 1044342770 /nfs/dbraw/zinc/34/27/70/1044342770.db2.gz XGQVLVLUSWCUPK-GOSISDBHSA-N 1 0 313.420 4.295 50 0 DIAARO CCc1ncc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)cn1 ZINC000216081037 1044343141 /nfs/dbraw/zinc/34/31/41/1044343141.db2.gz XGQVLVLUSWCUPK-SFHVURJKSA-N 1 0 313.420 4.295 50 0 DIAARO C[Si](C)(C)C[N@H+](Cc1ccccc1)CC1(N)CCCCC1 ZINC000526058673 1044388109 /nfs/dbraw/zinc/38/81/09/1044388109.db2.gz HHDPYUUHZQUCNL-UHFFFAOYSA-N 1 0 304.554 4.028 50 0 DIAARO Cc1ccsc1C[N@H+]1CCC[C@H](n2c(C)cnc2C2CC2)C1 ZINC000575547010 1045669766 /nfs/dbraw/zinc/66/97/66/1045669766.db2.gz VTWOEGGFIPHORZ-INIZCTEOSA-N 1 0 315.486 4.276 50 0 DIAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1cnc2ccccc2c1 ZINC000055108254 1046430159 /nfs/dbraw/zinc/43/01/59/1046430159.db2.gz FVUBECQKVFAFRG-MRXNPFEDSA-N 1 0 305.425 4.431 50 0 DIAARO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(COC)cc2)s1 ZINC000093612447 1046634212 /nfs/dbraw/zinc/63/42/12/1046634212.db2.gz MGVSDJHXFDPWCC-AWEZNQCLSA-N 1 0 318.486 4.353 50 0 DIAARO CC[C@@H]1C[N@H+](Cc2sccc2C)Cc2cc(OC)ccc2O1 ZINC000067433557 1047272251 /nfs/dbraw/zinc/27/22/51/1047272251.db2.gz BKHLYRGAQCGVNI-OAHLLOKOSA-N 1 0 317.454 4.238 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000823766017 1050156850 /nfs/dbraw/zinc/15/68/50/1050156850.db2.gz SDPUJZCHSFLDDN-APHBMKBZSA-N 1 0 314.256 4.291 50 0 DIAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000826604317 1050369055 /nfs/dbraw/zinc/36/90/55/1050369055.db2.gz YTQGKCSOZURUIQ-IBGZPJMESA-N 1 0 309.388 4.348 50 0 DIAARO Cc1cnc(C2C[NH+](C3CCCCCC3)C2)n1Cc1ccccc1 ZINC000575552552 1050649556 /nfs/dbraw/zinc/64/95/56/1050649556.db2.gz CBPYUQCEQDBIID-UHFFFAOYSA-N 1 0 323.484 4.362 50 0 DIAARO CCCN1CCC[C@H]([NH2+]Cc2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000952978311 1051123399 /nfs/dbraw/zinc/12/33/99/1051123399.db2.gz PQQMVPGPQLODQI-HNNXBMFYSA-N 1 0 319.880 4.094 50 0 DIAARO CCCc1ccc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)o1 ZINC000952969412 1051123767 /nfs/dbraw/zinc/12/37/67/1051123767.db2.gz NEDGOVWPTVLGCA-SFHVURJKSA-N 1 0 319.470 4.239 50 0 DIAARO CC(=O)c1cc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)n(C)c1 ZINC000952973110 1051124319 /nfs/dbraw/zinc/12/43/19/1051124319.db2.gz RJGRLVOSILQLSW-OAHLLOKOSA-N 1 0 312.457 4.074 50 0 DIAARO COc1cc(F)ccc1C[NH2+][C@H](CC(C)C)c1cccnc1 ZINC000952986869 1051125986 /nfs/dbraw/zinc/12/59/86/1051125986.db2.gz GRCLBLGOUZYKFT-QGZVFWFLSA-N 1 0 302.393 4.106 50 0 DIAARO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC000952985241 1051126695 /nfs/dbraw/zinc/12/66/95/1051126695.db2.gz UKLYJGHBRMAYKL-CYBMUJFWSA-N 1 0 311.816 4.476 50 0 DIAARO Cc1ccc2ncccc2c1C[NH2+]CCCn1ccnc1C(C)C ZINC000952967157 1051126850 /nfs/dbraw/zinc/12/68/50/1051126850.db2.gz IUVWPJFPAXPRDN-UHFFFAOYSA-N 1 0 322.456 4.043 50 0 DIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](n3c(C)cnc3C3CC3)C2)s1 ZINC000581806779 1051318481 /nfs/dbraw/zinc/31/84/81/1051318481.db2.gz XUDMSFHUOQGBRO-MRXNPFEDSA-N 1 0 315.486 4.276 50 0 DIAARO Cc1cnc(C[C@@H]2CC[N@H+](CC3CCCCC3)C2)n1C(C)C ZINC000581805996 1051319640 /nfs/dbraw/zinc/31/96/40/1051319640.db2.gz JNYGPSSLKQPAGR-SFHVURJKSA-N 1 0 303.494 4.217 50 0 DIAARO C[NH+](C)C1(CNCc2[nH]c3ccccc3c2Cl)CCCCC1 ZINC000315788902 1052354697 /nfs/dbraw/zinc/35/46/97/1052354697.db2.gz NSRRYZHNLPCPRG-UHFFFAOYSA-N 1 0 319.880 4.175 50 0 DIAARO CC[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H](C)c1cccc(OC)c1 ZINC000179469946 1053013104 /nfs/dbraw/zinc/01/31/04/1053013104.db2.gz BBZKLZJKVXPACC-AWEZNQCLSA-N 1 0 309.413 4.155 50 0 DIAARO Clc1ccccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000011662886 1056573430 /nfs/dbraw/zinc/57/34/30/1056573430.db2.gz ANYCTSLDRAPZGR-QGZVFWFLSA-N 1 0 300.833 4.417 50 0 DIAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)n1 ZINC000011953133 1056885482 /nfs/dbraw/zinc/88/54/82/1056885482.db2.gz KVYYVNOKQYVPGU-AWEZNQCLSA-N 1 0 324.472 4.085 50 0 DIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3ccccc32)cc1C ZINC000012305720 1057019052 /nfs/dbraw/zinc/01/90/52/1057019052.db2.gz RHCOOUJWKITOMY-FQEVSTJZSA-N 1 0 317.436 4.471 50 0 DIAARO CC[NH+]1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000012612316 1057540275 /nfs/dbraw/zinc/54/02/75/1057540275.db2.gz JQEMDFHBIHUYFP-UHFFFAOYSA-N 1 0 322.452 4.332 50 0 DIAARO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(COC)c2)s1 ZINC000179222293 1057739419 /nfs/dbraw/zinc/73/94/19/1057739419.db2.gz CFPDXLAJUNHTJV-AWEZNQCLSA-N 1 0 318.486 4.353 50 0 DIAARO Cc1nc(C[NH2+][C@H](C)CCSc2ccc(F)cc2)cs1 ZINC000821864797 1057786523 /nfs/dbraw/zinc/78/65/23/1057786523.db2.gz WQNGLXKJFVCNFB-LLVKDONJSA-N 1 0 310.463 4.251 50 0 DIAARO Cc1ccc2ccccc2c1C[N@@H+](C)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529174950 1058631246 /nfs/dbraw/zinc/63/12/46/1058631246.db2.gz ZNRFVROBULNJBL-QGFMHUBQSA-N 1 0 309.453 4.130 50 0 DIAARO Cc1cc(N(C)CC[C@H]2CCCCO2)c2cc(F)ccc2[nH+]1 ZINC001506420014 1063509558 /nfs/dbraw/zinc/50/95/58/1063509558.db2.gz QKSYHLDUFFIVCP-OAHLLOKOSA-N 1 0 302.393 4.078 50 0 DIAARO COCc1cc(C[N@H+](C)[C@@H](C)c2cccs2)ccc1OC ZINC001506420554 1063509648 /nfs/dbraw/zinc/50/96/48/1063509648.db2.gz IVIBEYIZTORFAL-ZDUSSCGKSA-N 1 0 305.443 4.096 50 0 DIAARO COc1ccc(C[NH2+][C@H](CC(C)C)c2cccnc2)cc1F ZINC001506426991 1063509851 /nfs/dbraw/zinc/50/98/51/1063509851.db2.gz QXYZNOOBSZAOLY-QGZVFWFLSA-N 1 0 302.393 4.106 50 0 DIAARO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)[C@@H]1CCN(c2ccccc2)C1 ZINC001506417812 1063510818 /nfs/dbraw/zinc/51/08/18/1063510818.db2.gz BSZJPCUAQDLSIX-LJQANCHMSA-N 1 0 323.415 4.018 50 0 DIAARO CC(C)C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccccn1 ZINC000095420787 185360332 /nfs/dbraw/zinc/36/03/32/185360332.db2.gz ABQJKDKIRNUCKK-IBGZPJMESA-N 1 0 320.440 4.144 50 0 DIAARO Cc1nc(C)c(CNc2ccc(SCC[NH+](C)C)cc2)s1 ZINC000095429116 185362563 /nfs/dbraw/zinc/36/25/63/185362563.db2.gz NRQFGVWBWPXLFH-UHFFFAOYSA-N 1 0 321.515 4.026 50 0 DIAARO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3cccnc3)o2)C1 ZINC000097002168 185396461 /nfs/dbraw/zinc/39/64/61/185396461.db2.gz ADFHLPFLLVWNQB-GOEBONIOSA-N 1 0 302.443 4.105 50 0 DIAARO CC(C)C[C@H]([NH2+]C1CCN(Cc2cscn2)CC1)C(C)(C)C ZINC000095462761 185371264 /nfs/dbraw/zinc/37/12/64/185371264.db2.gz KRVLSTDMBIGIQJ-KRWDZBQOSA-N 1 0 323.550 4.158 50 0 DIAARO Brc1cccc(C2(NCc3cscn3)CCC2)c1 ZINC000071924564 191031998 /nfs/dbraw/zinc/03/19/98/191031998.db2.gz ZXKFNMJFHJMSJN-UHFFFAOYSA-N 1 0 323.259 4.075 50 0 DIAARO COc1cccc([C@H]2CCCC[N@@H+]2Cc2c(C)noc2C)c1 ZINC000072133083 191044999 /nfs/dbraw/zinc/04/49/99/191044999.db2.gz YQYWMWAPOVWJLH-GOSISDBHSA-N 1 0 300.402 4.027 50 0 DIAARO COc1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2c2ccccn2)cc1 ZINC000072133841 191046426 /nfs/dbraw/zinc/04/64/26/191046426.db2.gz MKHGNXKQEPSPOG-ROUKRRSUSA-N 1 0 308.425 4.331 50 0 DIAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000072149157 191054605 /nfs/dbraw/zinc/05/46/05/191054605.db2.gz KJLPCIMSCHPXFO-UHFFFAOYSA-N 1 0 313.466 4.179 50 0 DIAARO CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2cc(F)cc(Cl)c2)C1 ZINC000072158100 191061397 /nfs/dbraw/zinc/06/13/97/191061397.db2.gz OASJXYKEFVGGIY-AWEZNQCLSA-N 1 0 312.860 4.031 50 0 DIAARO Cc1cccnc1C[N@H+]1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000072173877 191070183 /nfs/dbraw/zinc/07/01/83/191070183.db2.gz JFOFKHPWNLWPAM-NRFANRHFSA-N 1 0 323.484 4.179 50 0 DIAARO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2cccc(F)c2)c(C)n1 ZINC000072453847 191172017 /nfs/dbraw/zinc/17/20/17/191172017.db2.gz UBPMSHHPPCSOKW-GOSISDBHSA-N 1 0 301.409 4.078 50 0 DIAARO C[C@@H](c1cncs1)[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072468013 191175928 /nfs/dbraw/zinc/17/59/28/191175928.db2.gz NQOGZIMYEPYVTP-AWEZNQCLSA-N 1 0 318.486 4.040 50 0 DIAARO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccccc1 ZINC000000819555 180835465 /nfs/dbraw/zinc/83/54/65/180835465.db2.gz ASZHZNMSQAXDIS-UHFFFAOYSA-N 1 0 311.425 4.306 50 0 DIAARO Cc1cc(OCCOCC[N@@H+]2CCC[C@@H](C)C2)cc(C(C)C)c1 ZINC000002822124 180961262 /nfs/dbraw/zinc/96/12/62/180961262.db2.gz VAIUUVUTDWTVGW-QGZVFWFLSA-N 1 0 319.489 4.246 50 0 DIAARO CCCC[NH2+]CCOCCOc1c(C)cccc1C(C)(C)C ZINC000003002008 180976178 /nfs/dbraw/zinc/97/61/78/180976178.db2.gz KBGUYVNOLVPEMY-UHFFFAOYSA-N 1 0 307.478 4.078 50 0 DIAARO COc1ccccc1OCCCCCC[NH2+]Cc1ccco1 ZINC000003315099 181003727 /nfs/dbraw/zinc/00/37/27/181003727.db2.gz CRKDJPGOAQNHJX-UHFFFAOYSA-N 1 0 303.402 4.017 50 0 DIAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000003352854 181010477 /nfs/dbraw/zinc/01/04/77/181010477.db2.gz RDGICIUONBMKFD-UHFFFAOYSA-N 1 0 315.244 4.196 50 0 DIAARO [NH2+]=c1c2c(n(Cc3ccc(Cl)cc3)c3ccccc13)CCC2 ZINC000003878315 181051654 /nfs/dbraw/zinc/05/16/54/181051654.db2.gz IFVCOIBHNLBWFY-UHFFFAOYSA-N 1 0 308.812 4.311 50 0 DIAARO CC(C)[NH2+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004073713 181069605 /nfs/dbraw/zinc/06/96/05/181069605.db2.gz LWPLXYPCRZFALK-UHFFFAOYSA-N 1 0 324.251 4.227 50 0 DIAARO CCCCCC[n+]1ccccc1/C=C/c1ccc2c(c1)OCO2 ZINC000004118329 181075427 /nfs/dbraw/zinc/07/54/27/181075427.db2.gz ZENXWCHEIUILPV-PKNBQFBNSA-N 1 0 310.417 4.454 50 0 biogenic,in-vitro DIAARO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C(C)(C)C ZINC000004264057 181089078 /nfs/dbraw/zinc/08/90/78/181089078.db2.gz IQGBZGOVPLFYRK-JKSUJKDBSA-N 1 0 321.505 4.354 50 0 DIAARO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C(C)(C)C ZINC000004264056 181089597 /nfs/dbraw/zinc/08/95/97/181089597.db2.gz IQGBZGOVPLFYRK-HZPDHXFCSA-N 1 0 321.505 4.354 50 0 DIAARO Cc1ccc([C@](O)(c2cnc(C(C)C)n2C)c2ccccc2)cc1 ZINC000004312683 181096185 /nfs/dbraw/zinc/09/61/85/181096185.db2.gz GWRPWSLJVJYPPV-NRFANRHFSA-N 1 0 320.436 4.136 50 0 DIAARO Cc1ccccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315203 181096356 /nfs/dbraw/zinc/09/63/56/181096356.db2.gz REOZKCMBURHRGF-UHFFFAOYSA-N 1 0 305.425 4.251 50 0 DIAARO CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C(C)(C)C)C[N@H+](C)[C@@H]1C ZINC000004594138 181128127 /nfs/dbraw/zinc/12/81/27/181128127.db2.gz HXMYADUYVHAIOZ-WRWLIDTKSA-N 1 0 317.473 4.221 50 0 DIAARO CCOc1ccccc1CNc1[nH+]cc(-c2ccc(C)cc2)n1C ZINC000004678375 181135261 /nfs/dbraw/zinc/13/52/61/181135261.db2.gz RSXMVQQVHLNRFV-UHFFFAOYSA-N 1 0 321.424 4.406 50 0 DIAARO COc1ccc(-c2c[nH+]c(NCc3ccc(C)cc3)n2C)cc1 ZINC000004678567 181135846 /nfs/dbraw/zinc/13/58/46/181135846.db2.gz APYWRZUXUPBEED-UHFFFAOYSA-N 1 0 307.397 4.016 50 0 DIAARO Fc1ccc(COc2ccccc2C[NH2+]Cc2ccncc2)cc1 ZINC000004747918 181147703 /nfs/dbraw/zinc/14/77/03/181147703.db2.gz IGEXJNMXYNLBFU-UHFFFAOYSA-N 1 0 322.383 4.090 50 0 DIAARO c1[nH]c2ccccc2c1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000004818434 181156210 /nfs/dbraw/zinc/15/62/10/181156210.db2.gz WTPXAIMFGSXGIL-UHFFFAOYSA-N 1 0 311.473 4.008 50 0 DIAARO CC(=O)c1ccc(OCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004842311 181161202 /nfs/dbraw/zinc/16/12/02/181161202.db2.gz WQQPEWWJJVZSMD-IYBDPMFKSA-N 1 0 303.446 4.026 50 0 DIAARO CC(=O)c1cccc(OCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000004842763 181162027 /nfs/dbraw/zinc/16/20/27/181162027.db2.gz HXBFXVRDQYUEQL-HZPDHXFCSA-N 1 0 303.446 4.026 50 0 DIAARO O=C(C[C@H]1CCC[C@H](CC(=O)c2ccccc2)[NH2+]1)c1ccccc1 ZINC000004958292 181180023 /nfs/dbraw/zinc/18/00/23/181180023.db2.gz OMAMGHBETNHQJC-RTBURBONSA-N 1 0 321.420 4.043 50 0 DIAARO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1C ZINC000004982448 181183890 /nfs/dbraw/zinc/18/38/90/181183890.db2.gz OLHBVBGDBJXXQT-IBGZPJMESA-N 1 0 310.441 4.434 50 0 DIAARO Cc1cc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1C(C)C ZINC000005006169 181189109 /nfs/dbraw/zinc/18/91/09/181189109.db2.gz AKQJFRFSGLFOOG-FGTMMUONSA-N 1 0 319.489 4.121 50 0 DIAARO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@H](CCCOC)C1 ZINC000077490124 191724335 /nfs/dbraw/zinc/72/43/35/191724335.db2.gz PSVKDNQTKYXDDZ-QGZVFWFLSA-N 1 0 314.473 4.300 50 0 DIAARO CC[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000005591652 181261272 /nfs/dbraw/zinc/26/12/72/181261272.db2.gz YEQVMPWSQNBHQN-UHFFFAOYSA-N 1 0 316.832 4.191 50 0 DIAARO c1nc(N2CCCC2)sc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000216538734 201495728 /nfs/dbraw/zinc/49/57/28/201495728.db2.gz STSSOJCIOLVWBJ-MRXNPFEDSA-N 1 0 319.518 4.146 50 0 DIAARO Cc1ccc(C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 ZINC000252508359 202859840 /nfs/dbraw/zinc/85/98/40/202859840.db2.gz XLFVAHOUFPAODT-UHFFFAOYSA-N 1 0 313.424 4.334 50 0 DIAARO Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCCC[C@H]3O)cs2)cs1 ZINC000252535967 202863561 /nfs/dbraw/zinc/86/35/61/202863561.db2.gz HHYOALFLDJVXJW-VZJVUDMVSA-N 1 0 322.499 4.134 50 0 DIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)c2ccsc2)c1 ZINC000095968796 193466394 /nfs/dbraw/zinc/46/63/94/193466394.db2.gz QJKHZCDCKGKKQP-OLZOCXBDSA-N 1 0 302.443 4.161 50 0 DIAARO C[C@@H](CCCC[NH+](C)C)OC(=O)c1cc2ccccc2s1 ZINC000096004156 193486756 /nfs/dbraw/zinc/48/67/56/193486756.db2.gz DKPGPWDJPMASKD-ZDUSSCGKSA-N 1 0 305.443 4.179 50 0 DIAARO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000013545799 181860650 /nfs/dbraw/zinc/86/06/50/181860650.db2.gz RYAUSSKQMZRMAI-IKGGRYGDSA-N 1 0 303.490 4.272 50 0 endogenous,in-man DIAARO Clc1ccc(OCCCSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000015456894 182003675 /nfs/dbraw/zinc/00/36/75/182003675.db2.gz ZZTNNXBYPUKSHP-HUUCEWRRSA-N 1 0 324.877 4.113 50 0 DIAARO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000015836755 182020360 /nfs/dbraw/zinc/02/03/60/182020360.db2.gz SXDUSQIYCNJIHD-INIZCTEOSA-N 1 0 317.816 4.391 50 0 DIAARO Clc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3)cc1 ZINC000015953109 182026578 /nfs/dbraw/zinc/02/65/78/182026578.db2.gz DWGABXRXMISFEC-UHFFFAOYSA-N 1 0 313.833 4.191 50 0 DIAARO CC[C@H](C)c1ccccc1OCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247669 182038682 /nfs/dbraw/zinc/03/86/82/182038682.db2.gz LIMGGLWMINDYAX-YESZJQIVSA-N 1 0 305.462 4.078 50 0 DIAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCCc2ccccc21 ZINC000016342916 182042088 /nfs/dbraw/zinc/04/20/88/182042088.db2.gz SDAWHOPSMHPCTF-OAQYLSRUSA-N 1 0 317.436 4.382 50 0 DIAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCCc2ccccc21 ZINC000016342918 182042207 /nfs/dbraw/zinc/04/22/07/182042207.db2.gz SDAWHOPSMHPCTF-NRFANRHFSA-N 1 0 317.436 4.382 50 0 DIAARO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016606914 182053209 /nfs/dbraw/zinc/05/32/09/182053209.db2.gz QQQCKOLALLJLSD-UHFFFAOYSA-N 1 0 322.452 4.100 50 0 DIAARO Cc1ccccc1C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 ZINC000017207655 182079844 /nfs/dbraw/zinc/07/98/44/182079844.db2.gz NCFCRUBLUSWMFW-UHFFFAOYSA-N 1 0 323.847 4.399 50 0 DIAARO Clc1cccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)c1 ZINC000017208654 182080049 /nfs/dbraw/zinc/08/00/49/182080049.db2.gz IKCLCMAJERYEHU-UHFFFAOYSA-N 1 0 309.820 4.091 50 0 DIAARO Cc1ccc([C@@](O)(C[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000019205303 182107083 /nfs/dbraw/zinc/10/70/83/182107083.db2.gz YLQPEUXBTQONJV-JOCHJYFZSA-N 1 0 317.432 4.021 50 0 DIAARO Cc1ccc([C@](O)(C[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000019205306 182107236 /nfs/dbraw/zinc/10/72/36/182107236.db2.gz YLQPEUXBTQONJV-QFIPXVFZSA-N 1 0 317.432 4.021 50 0 DIAARO COc1ccc2ccccc2c1C[NH2+]CCc1ccccc1F ZINC000019691160 182137891 /nfs/dbraw/zinc/13/78/91/182137891.db2.gz NWMVLEWRZWNUBH-UHFFFAOYSA-N 1 0 309.384 4.320 50 0 DIAARO COc1ccc(CC[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000019720734 182138288 /nfs/dbraw/zinc/13/82/88/182138288.db2.gz FAJJCURXAPQJPJ-UHFFFAOYSA-N 1 0 309.331 4.046 50 0 DIAARO COc1ccccc1CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019720515 182138477 /nfs/dbraw/zinc/13/84/77/182138477.db2.gz BWJAHHBQBBUEGV-UHFFFAOYSA-N 1 0 309.331 4.046 50 0 DIAARO Cc1cc2c(cc1C)[C@@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000019735370 182139904 /nfs/dbraw/zinc/13/99/04/182139904.db2.gz MTYGNMQSSCQVBJ-QGZVFWFLSA-N 1 0 316.242 4.301 50 0 DIAARO C1C[NH+](C2C3CC4CC(C3)CC2C4)CCN1C1CCCCCC1 ZINC000019771303 182145138 /nfs/dbraw/zinc/14/51/38/182145138.db2.gz BNFLZDLCTVUCCV-UHFFFAOYSA-N 1 0 316.533 4.152 50 0 DIAARO Clc1ccc(CN2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019789059 182148840 /nfs/dbraw/zinc/14/88/40/182148840.db2.gz FQLPGRTTWAZLNW-UHFFFAOYSA-N 1 0 306.881 4.180 50 0 DIAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000019831646 182154550 /nfs/dbraw/zinc/15/45/50/182154550.db2.gz NIRUOPOIPAZYMS-YJBOKZPZSA-N 1 0 306.881 4.036 50 0 DIAARO c1ccc(C2CCC([NH+]3CCN(C4CCCC4)CC3)CC2)cc1 ZINC000019831720 182155135 /nfs/dbraw/zinc/15/51/35/182155135.db2.gz XGHVBDJQANKKRB-UHFFFAOYSA-N 1 0 312.501 4.273 50 0 DIAARO CC[C@H](C)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019900132 182161849 /nfs/dbraw/zinc/16/18/49/182161849.db2.gz KWDAXLMBWKAZOQ-KKXNLOMOSA-N 1 0 300.490 4.129 50 0 DIAARO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@H](O)c1ccccc1 ZINC000019872196 182158994 /nfs/dbraw/zinc/15/89/94/182158994.db2.gz JHYSENDMFUMZPU-BZNIZROVSA-N 1 0 310.224 4.205 50 0 DIAARO CCOc1ccc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000019871759 182159340 /nfs/dbraw/zinc/15/93/40/182159340.db2.gz AKAZBQOZBWSGPS-UHFFFAOYSA-N 1 0 307.796 4.210 50 0 DIAARO Cc1cc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(C(C)C)c1 ZINC000020166868 182193891 /nfs/dbraw/zinc/19/38/91/182193891.db2.gz GTFXIXHZLGHJRL-ROUUACIJSA-N 1 0 319.489 4.387 50 0 DIAARO CC[NH+]1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC000021487105 182275235 /nfs/dbraw/zinc/27/52/35/182275235.db2.gz PHOZLMDTTWWBAH-UHFFFAOYSA-N 1 0 317.436 4.044 50 0 DIAARO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1c(C)noc1C ZINC000021720434 182286109 /nfs/dbraw/zinc/28/61/09/182286109.db2.gz JBIFOASYEGAOIG-INIZCTEOSA-N 1 0 300.402 4.027 50 0 DIAARO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000022197666 182312845 /nfs/dbraw/zinc/31/28/45/182312845.db2.gz SRYWGXGRTKKXAI-QGZVFWFLSA-N 1 0 322.452 4.414 50 0 DIAARO CC[C@H](C)C[N@@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000039399681 183018297 /nfs/dbraw/zinc/01/82/97/183018297.db2.gz GFIHLSCKPHFVKK-MAUKXSAKSA-N 1 0 305.462 4.007 50 0 DIAARO COc1cccc2cc(C[NH2+]Cc3cc(F)cc(F)c3)oc21 ZINC000040086361 183032271 /nfs/dbraw/zinc/03/22/71/183032271.db2.gz QXGOSCJHTOAKBU-UHFFFAOYSA-N 1 0 303.308 4.009 50 0 DIAARO CCC[N@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000040119973 183038118 /nfs/dbraw/zinc/03/81/18/183038118.db2.gz KTQVVNNLBGXOGK-UHFFFAOYSA-N 1 0 305.853 4.043 50 0 DIAARO C[C@@H](C[N@@H+]1CCC[C@H](c2ccccc2)C1)n1cnc2ccccc21 ZINC000042437792 183270352 /nfs/dbraw/zinc/27/03/52/183270352.db2.gz QFKDUXSSMSKSKN-HKUYNNGSSA-N 1 0 319.452 4.477 50 0 DIAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)C1 ZINC000105581188 194112868 /nfs/dbraw/zinc/11/28/68/194112868.db2.gz HXDXSJLQUOXYKA-DLBZAZTESA-N 1 0 312.457 4.213 50 0 DIAARO CCCCc1cn(C2CC[NH+]([C@H]3CCCC(C)(C)C3)CC2)nn1 ZINC000048214462 183627467 /nfs/dbraw/zinc/62/74/67/183627467.db2.gz NBFOEVOVYYTLQT-SFHVURJKSA-N 1 0 318.509 4.226 50 0 DIAARO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCCCC1 ZINC000051086111 183813274 /nfs/dbraw/zinc/81/32/74/183813274.db2.gz MGHNXXJBACJRLB-MRXNPFEDSA-N 1 0 308.425 4.486 50 0 DIAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000057999944 184066242 /nfs/dbraw/zinc/06/62/42/184066242.db2.gz QOOMUXCSLYFMOF-OAHLLOKOSA-N 1 0 310.441 4.273 50 0 DIAARO c1csc(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000058159790 184082363 /nfs/dbraw/zinc/08/23/63/184082363.db2.gz HMLRPJFTJCLUAV-CQSZACIVSA-N 1 0 312.438 4.311 50 0 DIAARO CCC(CC)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060206064 184145262 /nfs/dbraw/zinc/14/52/62/184145262.db2.gz ZIXGJJOEDHIYOQ-UHFFFAOYSA-N 1 0 316.489 4.115 50 0 DIAARO COc1ccc2cc(C[NH2+]Cc3ccc(Cl)o3)ccc2c1 ZINC000060841970 184156444 /nfs/dbraw/zinc/15/64/44/184156444.db2.gz SXZKXJIKNCYBCA-UHFFFAOYSA-N 1 0 301.773 4.385 50 0 DIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccccc1 ZINC000065154869 184312859 /nfs/dbraw/zinc/31/28/59/184312859.db2.gz VFSZQOSWMSNJAP-HNNXBMFYSA-N 1 0 305.425 4.340 50 0 DIAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065409953 184340237 /nfs/dbraw/zinc/34/02/37/184340237.db2.gz PYYXVYPNICFOBE-MRXNPFEDSA-N 1 0 303.409 4.337 50 0 DIAARO CCc1oc2c(cc(Cl)cc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1C ZINC000072408757 256546312 /nfs/dbraw/zinc/54/63/12/256546312.db2.gz WOAAUGAIYOEYNQ-CMPLNLGQSA-N 1 0 320.820 4.023 50 0 DIAARO C[C@H](c1ccc(-c2nncc3ccccc32)cc1)[NH+]1CCCC1 ZINC000426733976 257243375 /nfs/dbraw/zinc/24/33/75/257243375.db2.gz HBAFEOANDXBGBI-OAHLLOKOSA-N 1 0 303.409 4.454 50 0 DIAARO C[C@@H](c1ccc(-c2ccc(O)c(Cl)c2)cc1)[NH+]1CCOCC1 ZINC000426386502 257252104 /nfs/dbraw/zinc/25/21/04/257252104.db2.gz YECNBCONWJZJHC-ZDUSSCGKSA-N 1 0 317.816 4.106 50 0 DIAARO C[C@@H](c1ccc(-c2cncc(C(C)(C)O)c2)cc1)[NH+]1CCCC1 ZINC000426360037 257253209 /nfs/dbraw/zinc/25/32/09/257253209.db2.gz YKTMJVXWGLSIAW-HNNXBMFYSA-N 1 0 310.441 4.133 50 0 DIAARO O=[N+]1C(c2ccc(-c3ccccc3)cc2)=CN(O)[C@@H]2CCCC[C@@H]21 ZINC000334157317 257261669 /nfs/dbraw/zinc/26/16/69/257261669.db2.gz WCTJKYVODWDZRK-MOPGFXCFSA-N 1 0 321.400 4.447 50 0 DIAARO Cc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000057992726 134789996 /nfs/dbraw/zinc/78/99/96/134789996.db2.gz SFZJIKGKXYQKTJ-UHFFFAOYSA-N 1 0 306.862 4.032 50 0 DIAARO Cc1cccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c1 ZINC000017249968 331573934 /nfs/dbraw/zinc/57/39/34/331573934.db2.gz ZBXUMYAFWZVEAA-UHFFFAOYSA-N 1 0 323.847 4.399 50 0 DIAARO CC(C)n1ncc2c1[C@@H]([NH2+]Cc1ccc3occc3c1)CCC2 ZINC000375764830 337018951 /nfs/dbraw/zinc/01/89/51/337018951.db2.gz SLYBVRXDMFVMSW-KRWDZBQOSA-N 1 0 309.413 4.377 50 0 DIAARO O[C@@]1(/C=C/c2ccccc2)CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000536558964 337848758 /nfs/dbraw/zinc/84/87/58/337848758.db2.gz VFPKDQGHEBGGKH-ODOOKIQISA-N 1 0 307.437 4.163 50 0 DIAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@H+]1CCC[C@H](C)C1 ZINC000008717540 563950098 /nfs/dbraw/zinc/95/00/98/563950098.db2.gz XIRSHRHDGYANLR-NSHDSACASA-N 1 0 304.821 4.134 50 0 DIAARO C[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000002015181 560185751 /nfs/dbraw/zinc/18/57/51/560185751.db2.gz VLXSCTINYKDTKR-UHFFFAOYSA-N 1 0 324.855 4.361 50 0 in-vitro DIAARO CSc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000000011025 563211110 /nfs/dbraw/zinc/21/11/10/563211110.db2.gz FYXJNIGRTLZKGK-UHFFFAOYSA-N 1 0 313.466 4.452 50 0 DIAARO COC(=O)c1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)cc1 ZINC000000112390 563218642 /nfs/dbraw/zinc/21/86/42/563218642.db2.gz MWTHNSSUESEOKQ-UHFFFAOYSA-N 1 0 306.365 4.382 50 0 DIAARO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000214727 563230842 /nfs/dbraw/zinc/23/08/42/563230842.db2.gz IHTGWHKQERQFGX-INIZCTEOSA-N 1 0 312.432 4.141 50 0 DIAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccccc1 ZINC000000251611 563233560 /nfs/dbraw/zinc/23/35/60/563233560.db2.gz YFPGFGQWWLYWNO-UHFFFAOYSA-N 1 0 323.392 4.157 50 0 DIAARO C[NH+](C)CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000002034754 563298269 /nfs/dbraw/zinc/29/82/69/563298269.db2.gz KKHPNPMTPORSQE-SFHVURJKSA-N 1 0 303.833 4.182 50 0 in-man DIAARO C[NH+](C)CCC[C@@](C)(O)[C@H](Cc1ccccc1)c1ccccc1 ZINC000002187351 563301629 /nfs/dbraw/zinc/30/16/29/563301629.db2.gz VOSQYSATOBJONB-NHCUHLMSSA-N 1 0 311.469 4.106 50 0 DIAARO CC[NH+](CC)CCn1c2ccc(C)cc2c2nc(C)sc21 ZINC000002228280 563302382 /nfs/dbraw/zinc/30/23/82/563302382.db2.gz ABGJCHGVOWVKGN-UHFFFAOYSA-N 1 0 301.459 4.210 50 0 DIAARO Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@@H]3C)c2c(C)c1Cl ZINC000002365508 563302956 /nfs/dbraw/zinc/30/29/56/563302956.db2.gz WBCDOZMPCKMONV-LBPRGKRZSA-N 1 0 319.832 4.438 50 0 biogenic DIAARO CSc1ccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000002514558 563305187 /nfs/dbraw/zinc/30/51/87/563305187.db2.gz AVWCROJZLJYFJD-UHFFFAOYSA-N 1 0 311.450 4.235 50 0 DIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1F ZINC000002514533 563305262 /nfs/dbraw/zinc/30/52/62/563305262.db2.gz XPPOLCGHRJYWDV-UHFFFAOYSA-N 1 0 315.363 4.182 50 0 DIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cc(F)cc(Cl)c1 ZINC000002514915 563305269 /nfs/dbraw/zinc/30/52/69/563305269.db2.gz MPQNWXMMVGMDTE-UHFFFAOYSA-N 1 0 315.775 4.082 50 0 DIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1Cl ZINC000002514580 563305317 /nfs/dbraw/zinc/30/53/17/563305317.db2.gz KVIIPMYFVUNDRU-UHFFFAOYSA-N 1 0 317.791 4.306 50 0 DIAARO CSc1ccccc1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514557 563305346 /nfs/dbraw/zinc/30/53/46/563305346.db2.gz ABWADQZUAXNBDD-UHFFFAOYSA-N 1 0 311.450 4.235 50 0 DIAARO Clc1cc(Br)ccc1OCC[NH2+]C1CCCC1 ZINC000002845349 563314792 /nfs/dbraw/zinc/31/47/92/563314792.db2.gz REALXJKOHZHJSA-UHFFFAOYSA-N 1 0 318.642 4.014 50 0 DIAARO CCCCOc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000002893733 563317722 /nfs/dbraw/zinc/31/77/22/563317722.db2.gz YJSDBLAFRQNHDS-UHFFFAOYSA-N 1 0 324.468 4.188 50 0 DIAARO CC(C)(C)[NH2+]CCCOc1ccc(OCc2ccccc2)cc1 ZINC000003002104 563320546 /nfs/dbraw/zinc/32/05/46/563320546.db2.gz UCLGTYCNHHVZCB-UHFFFAOYSA-N 1 0 313.441 4.423 50 0 DIAARO Cc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c(C)c1 ZINC000004980973 563328541 /nfs/dbraw/zinc/32/85/41/563328541.db2.gz ZJAQIOLEGUNBES-UHFFFAOYSA-N 1 0 308.469 4.242 50 0 DIAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3ccc(F)cc3)CC2)o1 ZINC000005031897 563328956 /nfs/dbraw/zinc/32/89/56/563328956.db2.gz ZECOJURMMLMNFK-HNNXBMFYSA-N 1 0 316.420 4.043 50 0 DIAARO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CCCC1 ZINC000097491333 563351167 /nfs/dbraw/zinc/35/11/67/563351167.db2.gz WJEGVPPQPCKPDJ-CQSZACIVSA-N 1 0 322.880 4.124 50 0 DIAARO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009062779 563351357 /nfs/dbraw/zinc/35/13/57/563351357.db2.gz JPZRDUVMCFXPNS-UHFFFAOYSA-N 1 0 322.452 4.100 50 0 DIAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1cccc(Cl)c1 ZINC000010436174 563356634 /nfs/dbraw/zinc/35/66/34/563356634.db2.gz XRTYWKSPRZQXKV-UHFFFAOYSA-N 1 0 319.832 4.426 50 0 DIAARO OC[C@]1(Cc2ccccc2F)CCC[N@H+](CC2CCCCC2)C1 ZINC000011812946 563359055 /nfs/dbraw/zinc/35/90/55/563359055.db2.gz VWWQAARRMRUNRZ-FQEVSTJZSA-N 1 0 319.464 4.023 50 0 DIAARO CC(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012151099 563362893 /nfs/dbraw/zinc/36/28/93/563362893.db2.gz WHUGFVVYKCADRX-HNNXBMFYSA-N 1 0 301.409 4.051 50 0 DIAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012201755 563364460 /nfs/dbraw/zinc/36/44/60/563364460.db2.gz XOEIVUUUKKSYEN-CQSZACIVSA-N 1 0 303.471 4.246 50 0 DIAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](CC4CC4)C3)ccc2c1 ZINC000012466812 563369660 /nfs/dbraw/zinc/36/96/60/563369660.db2.gz FRZXPZFVZUQQHN-IBGZPJMESA-N 1 0 323.436 4.153 50 0 DIAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)CCC(C)C)cc1 ZINC000032833189 563400924 /nfs/dbraw/zinc/40/09/24/563400924.db2.gz DBSSCXDDGQWVPY-MRXNPFEDSA-N 1 0 304.478 4.083 50 0 DIAARO CC(C)(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000014991681 563404445 /nfs/dbraw/zinc/40/44/45/563404445.db2.gz DDLVEEQRESXMPF-OAHLLOKOSA-N 1 0 315.436 4.441 50 0 DIAARO Cc1c([C@H](C)[NH2+]Cc2cccc(F)c2)cnn1-c1ccccc1 ZINC000015075066 563406768 /nfs/dbraw/zinc/40/67/68/563406768.db2.gz SZBVKHQEYRNGMR-AWEZNQCLSA-N 1 0 309.388 4.171 50 0 DIAARO CCN(CC[NH+](CC)CC)Cc1ccc(Cl)c(Cl)c1 ZINC000019633089 563416435 /nfs/dbraw/zinc/41/64/35/563416435.db2.gz LINYTPQWNGRXFB-UHFFFAOYSA-N 1 0 303.277 4.157 50 0 DIAARO CCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000027579688 563428072 /nfs/dbraw/zinc/42/80/72/563428072.db2.gz NTGGNBVYXLRSFT-MRXNPFEDSA-N 1 0 310.869 4.029 50 0 DIAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1cccc2[nH]ccc21 ZINC000072274468 563431521 /nfs/dbraw/zinc/43/15/21/563431521.db2.gz XMHSBBKHJNMEEJ-GOSISDBHSA-N 1 0 322.456 4.287 50 0 DIAARO Cc1ccsc1[C@@H]1CCCCC[N@H+]1Cc1cn(C)nc1C ZINC000033087104 563444332 /nfs/dbraw/zinc/44/43/32/563444332.db2.gz RQYQWMRZBKQFGS-INIZCTEOSA-N 1 0 303.475 4.216 50 0 DIAARO CCC(=O)Nc1ccc(CCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000032960983 563446375 /nfs/dbraw/zinc/44/63/75/563446375.db2.gz VTQCIJIHVMPHEE-UHFFFAOYSA-N 1 0 307.397 4.005 50 0 DIAARO CCC1CCC([N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000000213782 563446887 /nfs/dbraw/zinc/44/68/87/563446887.db2.gz SRBRTDYVRHOMBP-UHFFFAOYSA-N 1 0 303.446 4.031 50 0 DIAARO CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)[NH+]1CCCCCC1 ZINC000000186668 563446906 /nfs/dbraw/zinc/44/69/06/563446906.db2.gz PIRAZAGTGLMJDK-QGZVFWFLSA-N 1 0 302.462 4.205 50 0 DIAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000022078294 563448695 /nfs/dbraw/zinc/44/86/95/563448695.db2.gz LNEOUCDXRBFVTR-LAUBAEHRSA-N 1 0 322.452 4.147 50 0 DIAARO COc1ccc(CC[N@H+](C)Cc2cccc(Cl)c2)cc1OC ZINC000023114731 563449595 /nfs/dbraw/zinc/44/95/95/563449595.db2.gz MJVYEBUWRNKZPH-UHFFFAOYSA-N 1 0 319.832 4.032 50 0 DIAARO CC[NH+](CC)CCCOC(=O)CC1(c2ccccc2)CCCC1 ZINC000005094360 563450485 /nfs/dbraw/zinc/45/04/85/563450485.db2.gz IYHABZDETHBVPY-UHFFFAOYSA-N 1 0 317.473 4.164 50 0 DIAARO CCC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(C)cc2)N1O ZINC000033387170 563450661 /nfs/dbraw/zinc/45/06/61/563450661.db2.gz AKSRHZDXCCVJQK-IBGZPJMESA-N 1 0 309.389 4.430 50 0 DIAARO CC[C@H](C)c1ccccc1OCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000035349226 563452598 /nfs/dbraw/zinc/45/25/98/563452598.db2.gz LIMGGLWMINDYAX-GVDBMIGSSA-N 1 0 305.462 4.078 50 0 DIAARO C[NH2+]CC[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000044699688 563462522 /nfs/dbraw/zinc/46/25/22/563462522.db2.gz OWRFQEWHKCKNEN-MRXNPFEDSA-N 1 0 309.331 4.435 50 0 in-vitro DIAARO Cc1cc([C@@H]2CCCN2Cc2ccccc2Br)on1 ZINC000052009748 563469133 /nfs/dbraw/zinc/46/91/33/563469133.db2.gz IIVWDCKLKNMERT-AWEZNQCLSA-N 1 0 321.218 4.083 50 0 DIAARO CCn1nc(C)c(C[N@H+](CC)Cc2cnc3ccccc3c2)c1C ZINC000055283607 563473750 /nfs/dbraw/zinc/47/37/50/563473750.db2.gz PAUFUJJWUSSVJV-UHFFFAOYSA-N 1 0 322.456 4.090 50 0 DIAARO Fc1cccc([C@@H](NCc2cc[nH]n2)c2cccc(Cl)c2)c1 ZINC000096466813 563483856 /nfs/dbraw/zinc/48/38/56/563483856.db2.gz METHTSARHUZFKP-KRWDZBQOSA-N 1 0 315.779 4.081 50 0 DIAARO CNc1nc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)cs1 ZINC000072149400 563502445 /nfs/dbraw/zinc/50/24/45/563502445.db2.gz OREDFNHVXSIGPH-KRWDZBQOSA-N 1 0 315.486 4.172 50 0 DIAARO CCOc1cc2c(cc1OCC)[C@H]([C@@H]1CC=CCC1)[NH2+]CC2 ZINC000000032784 563506287 /nfs/dbraw/zinc/50/62/87/563506287.db2.gz NQOAKPOUJMMSCV-KUHUBIRLSA-N 1 0 301.430 4.027 50 0 DIAARO CSc1cccc(C[NH+]2CCC([C@@H](O)CC(C)C)CC2)c1 ZINC000077303859 563508210 /nfs/dbraw/zinc/50/82/10/563508210.db2.gz YDUZWGHKKJKDJZ-SFHVURJKSA-N 1 0 307.503 4.028 50 0 DIAARO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(C)c1 ZINC000097227508 563513402 /nfs/dbraw/zinc/51/34/02/563513402.db2.gz XAVYDQIZCBQCFK-OPAMFIHVSA-N 1 0 315.482 4.200 50 0 DIAARO CCOc1ccc(C[NH2+]Cc2cc(C)c(C)cc2C)cc1OC ZINC000097287862 563515474 /nfs/dbraw/zinc/51/54/74/563515474.db2.gz FTYZRXREDIRMKZ-UHFFFAOYSA-N 1 0 313.441 4.309 50 0 DIAARO CCOc1ccc(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000063367 563517557 /nfs/dbraw/zinc/51/75/57/563517557.db2.gz DQUJPBBWZKHBFK-FQEVSTJZSA-N 1 0 323.436 4.148 50 0 DIAARO C/C=C\c1ccc(OCC[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000033349998 563524710 /nfs/dbraw/zinc/52/47/10/563524710.db2.gz BHHYEQITHTZKMR-UTCJRWHESA-N 1 0 323.436 4.165 50 0 DIAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000095361206 563529812 /nfs/dbraw/zinc/52/98/12/563529812.db2.gz NFBILJSQIMDUSO-HNNXBMFYSA-N 1 0 319.399 4.122 50 0 DIAARO CCN(Cc1cnn(C(C)C)c1)Cc1c(F)cccc1Cl ZINC000097402515 563539179 /nfs/dbraw/zinc/53/91/79/563539179.db2.gz OIYQNFYUOTUWQW-UHFFFAOYSA-N 1 0 309.816 4.279 50 0 DIAARO CC(C)c1nc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)co1 ZINC000097609950 563540399 /nfs/dbraw/zinc/54/03/99/563540399.db2.gz KDIAYMMHMRJENR-GOSISDBHSA-N 1 0 313.445 4.180 50 0 DIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000097660407 563541060 /nfs/dbraw/zinc/54/10/60/563541060.db2.gz SGHKDPWAQBHIGK-IBGZPJMESA-N 1 0 308.425 4.025 50 0 DIAARO Cc1ccccc1[C@@H]([NH2+]Cc1cc2ccccc2c(=O)[nH]1)C(C)C ZINC000119731511 563562214 /nfs/dbraw/zinc/56/22/14/563562214.db2.gz AJKJKXVKEMYNNE-FQEVSTJZSA-N 1 0 320.436 4.323 50 0 DIAARO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cccc2ccccc21 ZINC000135578503 563609687 /nfs/dbraw/zinc/60/96/87/563609687.db2.gz BRBMNONGSNMUHP-LJQANCHMSA-N 1 0 305.425 4.083 50 0 DIAARO CC(C)c1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000075572790 563616798 /nfs/dbraw/zinc/61/67/98/563616798.db2.gz SXBSVZITHPAAAI-MRXNPFEDSA-N 1 0 310.441 4.317 50 0 DIAARO Cc1oc(-c2ccccc2)nc1CC[NH2+]Cc1ccc(F)cc1 ZINC000078758026 563617611 /nfs/dbraw/zinc/61/76/11/563617611.db2.gz ZCDVSRBQBQKYRN-UHFFFAOYSA-N 1 0 310.372 4.121 50 0 DIAARO CCn1c2ccccc2nc1SCc1cn2cc(C)ccc2n1 ZINC000007153834 563624686 /nfs/dbraw/zinc/62/46/86/563624686.db2.gz DARHCHZXHQYKAM-UHFFFAOYSA-N 1 0 322.437 4.305 50 0 DIAARO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000568258 563631307 /nfs/dbraw/zinc/63/13/07/563631307.db2.gz QJARHXUCTVIHRA-UHFFFAOYSA-N 1 0 316.832 4.434 50 0 DIAARO COc1ccc(CC[C@@H](C)[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000001225286 563633512 /nfs/dbraw/zinc/63/35/12/563633512.db2.gz WAVQNOTWADWNLX-WDUYYQOFSA-N 1 0 313.485 4.431 50 0 DIAARO COc1ccc(CC[C@H](C)[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000001225285 563633530 /nfs/dbraw/zinc/63/35/30/563633530.db2.gz WAVQNOTWADWNLX-USMPYCTLSA-N 1 0 313.485 4.431 50 0 DIAARO O=C(Nc1cccc(C[NH2+]Cc2ccc(Cl)s2)c1)C1CC1 ZINC000048340886 563697014 /nfs/dbraw/zinc/69/70/14/563697014.db2.gz XDXWRYQXKXOLGD-UHFFFAOYSA-N 1 0 320.845 4.040 50 0 DIAARO CC1=C(c2ccc(Cl)cc2)[N+](=O)[C@](C)(c2ccccc2)N1O ZINC000038344750 563697846 /nfs/dbraw/zinc/69/78/46/563697846.db2.gz FLMBULUSTQVAGO-QGZVFWFLSA-N 1 0 315.780 4.385 50 0 DIAARO C[C@H](C[N@H+]1CC=CCC1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000100812186 563700191 /nfs/dbraw/zinc/70/01/91/563700191.db2.gz JRLONDNYHCBKKH-DENIHFKCSA-N 1 0 321.464 4.015 50 0 DIAARO CCn1nc(C)c(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)c1C ZINC000215242614 563704245 /nfs/dbraw/zinc/70/42/45/563704245.db2.gz FUSBMGVXRSCALA-HNNXBMFYSA-N 1 0 317.864 4.163 50 0 DIAARO CCc1nccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)n1 ZINC000215367467 563705718 /nfs/dbraw/zinc/70/57/18/563705718.db2.gz CXYODYDSQMIUMZ-GOSISDBHSA-N 1 0 313.420 4.295 50 0 DIAARO C[N@H+](Cc1ccc([C@@H]2CCCO2)s1)C1Cc2ccccc2C1 ZINC000215538808 563706556 /nfs/dbraw/zinc/70/65/56/563706556.db2.gz HKGNMPLTRKBOCX-SFHVURJKSA-N 1 0 313.466 4.199 50 0 DIAARO c1nc(N2CCCC2)sc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000216538682 563710348 /nfs/dbraw/zinc/71/03/48/563710348.db2.gz STSSOJCIOLVWBJ-INIZCTEOSA-N 1 0 319.518 4.146 50 0 DIAARO CCCc1[nH+]c2c(c(C)c(C)n2Cc2ccncc2)c(N)c1CC ZINC000012324452 563713873 /nfs/dbraw/zinc/71/38/73/563713873.db2.gz LHVUMCYWZPFGEO-UHFFFAOYSA-N 1 0 322.456 4.194 50 0 DIAARO COc1cc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)ccn1 ZINC000225714032 563760587 /nfs/dbraw/zinc/76/05/87/563760587.db2.gz RKJYTMKIEJYDOP-WCFLWFBJSA-N 1 0 322.861 4.087 50 0 DIAARO CO[C@@H](C)c1noc(C[N@@H+]2CCCCC[C@H]2C2CCCCC2)n1 ZINC000241383228 563777244 /nfs/dbraw/zinc/77/72/44/563777244.db2.gz MTLLZKJLYUGEKB-HOCLYGCPSA-N 1 0 321.465 4.102 50 0 DIAARO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000241965727 563777977 /nfs/dbraw/zinc/77/79/77/563777977.db2.gz UVCWCXHGFKCDJW-LISAXSMJSA-N 1 0 302.462 4.126 50 0 DIAARO CCc1cc(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)on1 ZINC000242178856 563777984 /nfs/dbraw/zinc/77/79/84/563777984.db2.gz XBMNZHBUKZOYRA-FXAWDEMLSA-N 1 0 312.457 4.171 50 0 DIAARO Cc1nc2c(n1[C@@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)CCCC2 ZINC000241719910 563778064 /nfs/dbraw/zinc/77/80/64/563778064.db2.gz QQRZSKBVCSKMCD-CRAIPNDOSA-N 1 0 309.457 4.078 50 0 DIAARO CC[C@H](Nc1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1)c1ccccc1 ZINC000244874828 563779909 /nfs/dbraw/zinc/77/99/09/563779909.db2.gz XHVUDCYCEKNUEY-ULQDDVLXSA-N 1 0 322.456 4.122 50 0 DIAARO CCCC[C@H](c1cccnc1)N(C)Cc1cncn1C(C)C ZINC000244884318 563779997 /nfs/dbraw/zinc/77/99/97/563779997.db2.gz YJWRRLXYQOMXAX-GOSISDBHSA-N 1 0 300.450 4.222 50 0 DIAARO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCc1ccccc1 ZINC000051999039 563783387 /nfs/dbraw/zinc/78/33/87/563783387.db2.gz MLKZJEVWELDAIB-ZDUSSCGKSA-N 1 0 313.426 4.034 50 0 DIAARO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1F)c1ccccc1 ZINC000012569530 563802024 /nfs/dbraw/zinc/80/20/24/563802024.db2.gz CHHDCMJGHBBNQU-YOEHRIQHSA-N 1 0 314.404 4.284 50 0 DIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)c(C)c1 ZINC000012676510 563809006 /nfs/dbraw/zinc/80/90/06/563809006.db2.gz OVPQPXDZFXRQED-UZLBHIALSA-N 1 0 322.452 4.371 50 0 DIAARO C/C1=C\CC[C@@H]2[C@@H](/C=C(\C)CC1)OC(=O)[C@@H]2C[NH+]1CCCCC1 ZINC000032109694 563811418 /nfs/dbraw/zinc/81/14/18/563811418.db2.gz BYFVAWVWHDPHGP-UDHTUESWSA-N 1 0 317.473 4.097 50 0 DIAARO Clc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc2c1OCO2 ZINC000084525547 563827612 /nfs/dbraw/zinc/82/76/12/563827612.db2.gz PGNQWFPOUMTNQL-OAHLLOKOSA-N 1 0 315.800 4.058 50 0 DIAARO CCC(CC)c1cc[n+](Cc2ccc(-n3cccn3)cc2)cc1 ZINC000074181687 563832236 /nfs/dbraw/zinc/83/22/36/563832236.db2.gz FQYVQTRIDTWHSL-UHFFFAOYSA-N 1 0 306.433 4.112 50 0 DIAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@]2(O)C[NH3+] ZINC000035074950 563836732 /nfs/dbraw/zinc/83/67/32/563836732.db2.gz SNWGRADGFKNELG-GCNBINEPSA-N 1 0 305.506 4.109 50 0 DIAARO Fc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000104276707 563843467 /nfs/dbraw/zinc/84/34/67/563843467.db2.gz DHMMQFBVMCMNCO-VQTJNVASSA-N 1 0 316.464 4.055 50 0 DIAARO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012921516 563854610 /nfs/dbraw/zinc/85/46/10/563854610.db2.gz OGNODPQGJXZMCI-INIZCTEOSA-N 1 0 318.420 4.299 50 0 DIAARO C[N@@H+]1C2CCC(CC2)[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 ZINC000075279679 563862869 /nfs/dbraw/zinc/86/28/69/563862869.db2.gz MSWMGYWWBSBNMO-GQOXECLESA-N 1 0 320.436 4.484 50 0 DIAARO c1ccc(-c2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)cc1 ZINC000035403065 563866805 /nfs/dbraw/zinc/86/68/05/563866805.db2.gz OJZMIPCQFVTJOG-UHFFFAOYSA-N 1 0 317.388 4.372 50 0 DIAARO CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(C)O ZINC000239135362 563879485 /nfs/dbraw/zinc/87/94/85/563879485.db2.gz LDCYUQWOTSEZCL-WOZUAGRISA-N 1 0 309.453 4.486 50 0 DIAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccco1)c1ccco1 ZINC000002102752 563887152 /nfs/dbraw/zinc/88/71/52/563887152.db2.gz TZHGLYOQWYMVTJ-KRWDZBQOSA-N 1 0 311.381 4.193 50 0 biogenic DIAARO Cc1cc(NCCCN2CCc3ccccc32)c2ccccc2[nH+]1 ZINC000089583192 563891201 /nfs/dbraw/zinc/89/12/01/563891201.db2.gz IDUWUBKLLOYPGR-UHFFFAOYSA-N 1 0 317.436 4.408 50 0 DIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)Cc2ccccc2)s1 ZINC000036100956 563893421 /nfs/dbraw/zinc/89/34/21/563893421.db2.gz CKNNCDCCJVVNTP-SFHVURJKSA-N 1 0 317.498 4.118 50 0 DIAARO O=C(C[C@@H]1CCC[C@@H](CC(=O)c2ccccc2)[NH2+]1)c1ccccc1 ZINC000001621672 563895349 /nfs/dbraw/zinc/89/53/49/563895349.db2.gz OMAMGHBETNHQJC-OALUTQOASA-N 1 0 321.420 4.043 50 0 DIAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000007043153 563901613 /nfs/dbraw/zinc/90/16/13/563901613.db2.gz QJKKSFDPFVMOBS-JLTOFOAXSA-N 1 0 318.420 4.406 50 0 DIAARO COc1ccccc1C[NH2+]CCc1c(C)[nH]c2ccc(C)cc21 ZINC000036657783 563902350 /nfs/dbraw/zinc/90/23/50/563902350.db2.gz ASHOBODCENMJAX-UHFFFAOYSA-N 1 0 308.425 4.126 50 0 DIAARO [NH3+]C[C@H](C(=O)Nc1cccc(-c2cccs2)c1)c1ccccc1 ZINC000170048710 563902931 /nfs/dbraw/zinc/90/29/31/563902931.db2.gz UNZCOKGWWLCQMG-KRWDZBQOSA-N 1 0 322.433 4.096 50 0 DIAARO Cn1ccnc1C[NH2+]C1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC000170052919 563903240 /nfs/dbraw/zinc/90/32/40/563903240.db2.gz KNSNAVCEGATDAM-UHFFFAOYSA-N 1 0 311.473 4.277 50 0 DIAARO c1ccc2sc(Nc3ccc(N4CCCCC4)nc3)nc2c1 ZINC000065575202 563905840 /nfs/dbraw/zinc/90/58/40/563905840.db2.gz QXPQMZWSETVCGV-UHFFFAOYSA-N 1 0 310.426 4.425 50 0 DIAARO CCOC[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000076020951 563911726 /nfs/dbraw/zinc/91/17/26/563911726.db2.gz LIRONJMOSQYXJR-HOTGVXAUSA-N 1 0 314.429 4.151 50 0 DIAARO C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000089904667 563912139 /nfs/dbraw/zinc/91/21/39/563912139.db2.gz JVMSJSQSGFJMAH-GFCCVEGCSA-N 1 0 321.827 4.133 50 0 DIAARO c1ccc(CC[NH2+]CCCOc2cccc3ccccc32)cc1 ZINC000002823385 563913071 /nfs/dbraw/zinc/91/30/71/563913071.db2.gz KFGUBVRIRRHYLD-UHFFFAOYSA-N 1 0 305.421 4.441 50 0 DIAARO CC[C@H](C)[NH2+]CCOCCOc1ccccc1-c1ccccc1 ZINC000002825309 563913078 /nfs/dbraw/zinc/91/30/78/563913078.db2.gz MHRGHFADWRHYKY-KRWDZBQOSA-N 1 0 313.441 4.137 50 0 DIAARO C[NH+](C)CCCN1c2cc(Cl)ccc2S[C@H]2C=CC=C[C@H]21 ZINC000252489579 563916113 /nfs/dbraw/zinc/91/61/13/563916113.db2.gz JUIPSBKQGLNCMP-ZBFHGGJFSA-N 1 0 320.889 4.067 50 0 DIAARO COc1ccc(C[NH2+]CC[C@H](c2ccco2)C(C)C)cc1OC ZINC000002206139 563917403 /nfs/dbraw/zinc/91/74/03/563917403.db2.gz UFPNLONKLATBMA-INIZCTEOSA-N 1 0 317.429 4.216 50 0 DIAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccncc2)cc1 ZINC000037523495 563918216 /nfs/dbraw/zinc/91/82/16/563918216.db2.gz AIDAVDQFJHZWIF-OAQYLSRUSA-N 1 0 317.436 4.187 50 0 DIAARO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)c1ccccc1 ZINC000007783023 563919364 /nfs/dbraw/zinc/91/93/64/563919364.db2.gz ZISBLMJMLPJWDH-AWEZNQCLSA-N 1 0 323.392 4.460 50 0 DIAARO CCCCN1C(=O)C2=C(CCCC2)[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020169389 563923635 /nfs/dbraw/zinc/92/36/35/563923635.db2.gz LXUSKGIXOLRPLI-WTLGNFPFSA-N 1 0 318.505 4.240 50 0 DIAARO C[C@@H]1[C@H](c2ccc(F)cc2)[NH2+][C@@H](c2ccc(F)cc2)C[C@@]1(C)O ZINC000013424387 563929458 /nfs/dbraw/zinc/92/94/58/563929458.db2.gz DATTYGUWMMPCKZ-HAFFEQERSA-N 1 0 317.379 4.128 50 0 DIAARO C[N+]1=C(/C=C/c2ccc3c(c2)OCO3)C(C)(C)c2ccccc21 ZINC000013361820 563929554 /nfs/dbraw/zinc/92/95/54/563929554.db2.gz HUDKZKCSVCURRB-PKNBQFBNSA-N 1 0 306.385 4.135 50 0 DIAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000095422818 563931340 /nfs/dbraw/zinc/93/13/40/563931340.db2.gz BUUXQPAZANUZCE-WDEREUQCSA-N 1 0 315.442 4.183 50 0 DIAARO Cc1cccc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)c1 ZINC000095420170 563931374 /nfs/dbraw/zinc/93/13/74/563931374.db2.gz AUXJVKYNUGPLBY-KRWDZBQOSA-N 1 0 305.425 4.091 50 0 DIAARO Cc1cnc(C[N@@H+](C)Cc2ccccc2-c2ccccc2)cn1 ZINC000095938959 563932013 /nfs/dbraw/zinc/93/20/13/563932013.db2.gz PTXHDRQMEYHYQG-UHFFFAOYSA-N 1 0 303.409 4.084 50 0 DIAARO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000095968577 563933107 /nfs/dbraw/zinc/93/31/07/563933107.db2.gz GNKQOTINDNRGAV-DOTOQJQBSA-N 1 0 314.454 4.188 50 0 DIAARO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)C(C)(C)C)c1ccc(F)cc1F ZINC000095986420 563934233 /nfs/dbraw/zinc/93/42/33/563934233.db2.gz JHEZRMXBVUXTNG-BZNIZROVSA-N 1 0 307.388 4.136 50 0 DIAARO CCCC[N@@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000002490396 563938280 /nfs/dbraw/zinc/93/82/80/563938280.db2.gz PFQSSMKHKLCPPA-HXUWFJFHSA-N 1 0 309.453 4.187 50 0 DIAARO c1ccc([C@@H](CC2CCC2)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161831811 563938490 /nfs/dbraw/zinc/93/84/90/563938490.db2.gz QPCLSIABHYGHAB-LJQANCHMSA-N 1 0 315.457 4.193 50 0 DIAARO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CCCCCCC2)c1C ZINC000002639147 563939944 /nfs/dbraw/zinc/93/99/44/563939944.db2.gz IPDRRIRBRBECHD-IBGZPJMESA-N 1 0 319.489 4.054 50 0 DIAARO CC(C)c1cccc(C(C)C)c1OCC[NH2+]C[C@H]1CCCO1 ZINC000003247035 563943160 /nfs/dbraw/zinc/94/31/60/563943160.db2.gz IIHNAEJGWJXMQS-MRXNPFEDSA-N 1 0 305.462 4.081 50 0 DIAARO Cc1nc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)oc1C ZINC000066425249 563946453 /nfs/dbraw/zinc/94/64/53/563946453.db2.gz OEYVADIEZSJYRJ-HNNXBMFYSA-N 1 0 304.821 4.152 50 0 DIAARO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1 ZINC000008128822 563946749 /nfs/dbraw/zinc/94/67/49/563946749.db2.gz ZVHQORPNPMFUTD-KBXCAEBGSA-N 1 0 314.404 4.202 50 0 DIAARO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1 ZINC000008128820 563946751 /nfs/dbraw/zinc/94/67/51/563946751.db2.gz ZVHQORPNPMFUTD-KSSFIOAISA-N 1 0 314.404 4.202 50 0 DIAARO COc1cccc(C[N@H+](C)[C@H](C)c2cccc(F)c2)c1OC ZINC000040157187 563951722 /nfs/dbraw/zinc/95/17/22/563951722.db2.gz IJUUGKHOMAWQJH-CYBMUJFWSA-N 1 0 303.377 4.036 50 0 DIAARO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C)c1ccccc1 ZINC000009217987 563954097 /nfs/dbraw/zinc/95/40/97/563954097.db2.gz NSKDBIAUYCFUDG-VQIMIIECSA-N 1 0 310.441 4.453 50 0 DIAARO CCC[C@H](C)[N@@H+]1Cc2cccc(NCc3c(C)noc3C)c2C1 ZINC000069846082 563954980 /nfs/dbraw/zinc/95/49/80/563954980.db2.gz RRISYWOZCUWWOV-ZDUSSCGKSA-N 1 0 313.445 4.408 50 0 DIAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[NH+]1CCC(C)CC1 ZINC000009992634 563958132 /nfs/dbraw/zinc/95/81/32/563958132.db2.gz ZPBYKTJWUWSIMX-UHFFFAOYSA-N 1 0 304.821 4.134 50 0 DIAARO Clc1cccc2ccc(NCC3(C[NH+]4CCCC4)CC3)nc12 ZINC000534581101 563960487 /nfs/dbraw/zinc/96/04/87/563960487.db2.gz NMXYCPXVYIUZAS-UHFFFAOYSA-N 1 0 315.848 4.176 50 0 DIAARO Cc1cc2c(cc1C)C(NCCc1ccccc1)=[NH+]C(C)(C)C2 ZINC000013624226 568412533 /nfs/dbraw/zinc/41/25/33/568412533.db2.gz XWEOPWARTPPRSG-UHFFFAOYSA-N 1 0 306.453 4.217 50 0 DIAARO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)C1 ZINC000032931178 568416509 /nfs/dbraw/zinc/41/65/09/568416509.db2.gz HXDXSJLQUOXYKA-SJORKVTESA-N 1 0 312.457 4.213 50 0 DIAARO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000039236424 574414455 /nfs/dbraw/zinc/41/44/55/574414455.db2.gz RYAUSSKQMZRMAI-BRWVUGGUSA-N 1 0 303.490 4.272 50 0 endogenous,in-man DIAARO Cc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000025167126 1036272045 /nfs/dbraw/zinc/27/20/45/1036272045.db2.gz ASSOUPGYVYBMGV-UHFFFAOYSA-N 1 0 323.868 4.079 50 0 DIAARO CC(=O)Nc1cccc2c1CC[N@@H+](CC[C@H](C)c1ccccc1)C2 ZINC000193787158 1037221236 /nfs/dbraw/zinc/22/12/36/1037221236.db2.gz QPIZSFRBEKEYDV-INIZCTEOSA-N 1 0 322.452 4.197 50 0 DIAARO FC(F)(F)Oc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000023280633 1040548998 /nfs/dbraw/zinc/54/89/98/1040548998.db2.gz ABRUAUVLVJWRGF-UHFFFAOYSA-N 1 0 307.315 4.144 50 0 DIAARO C[C@H](N(C)Cc1csc(COc2ccccc2)n1)C1(C)CC1 ZINC000177222272 1040572616 /nfs/dbraw/zinc/57/26/16/1040572616.db2.gz PQQHUNRPGKMLGP-AWEZNQCLSA-N 1 0 316.470 4.343 50 0 DIAARO COc1ccc(Oc2cc(C[NH2+][C@@H](C)c3ccoc3)ccn2)cc1 ZINC000178198256 1041060197 /nfs/dbraw/zinc/06/01/97/1041060197.db2.gz PCENIBCYZINPDJ-AWEZNQCLSA-N 1 0 324.380 4.326 50 0 DIAARO Cc1ccccc1C[N@@H+]1CCC[C@](C)(COc2ccncc2)C1 ZINC000257174102 1041540839 /nfs/dbraw/zinc/54/08/39/1041540839.db2.gz CGRLARIAAOAXFF-FQEVSTJZSA-N 1 0 310.441 4.071 50 0 DIAARO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc2ccccc2o1 ZINC000108372357 1041914729 /nfs/dbraw/zinc/91/47/29/1041914729.db2.gz DSIBYAMNVHUIGR-JOQOYGCGSA-N 1 0 317.454 4.138 50 0 DIAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cc(-c3ccccc3)no2)c1 ZINC000216033438 1044341728 /nfs/dbraw/zinc/34/17/28/1044341728.db2.gz ONRWTDBJTHHFKA-INIZCTEOSA-N 1 0 321.424 4.108 50 0 DIAARO Cc1ccc([C@H]([NH2+]C[C@@H](O)c2ccccc2)c2ccccc2)cc1 ZINC000025664775 1044548716 /nfs/dbraw/zinc/54/87/16/1044548716.db2.gz WRKBIPRRSXHZAA-FGZHOGPDSA-N 1 0 317.432 4.408 50 0 DIAARO CCOc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)ccc1OC ZINC000016662727 1045570750 /nfs/dbraw/zinc/57/07/50/1045570750.db2.gz JCTVLHBCLHHSOQ-SJORKVTESA-N 1 0 303.446 4.249 50 0 DIAARO Fc1ccccc1CN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000621436169 1046259735 /nfs/dbraw/zinc/25/97/35/1046259735.db2.gz JDEJKPIDESTDOZ-VQTJNVASSA-N 1 0 316.464 4.055 50 0 DIAARO CCC[C@H]1CCC[N@@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067695346 1047271073 /nfs/dbraw/zinc/27/10/73/1047271073.db2.gz ZJCPQULYTBMGRZ-SFHVURJKSA-N 1 0 320.440 4.161 50 0 DIAARO C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000823766028 1050156144 /nfs/dbraw/zinc/15/61/44/1050156144.db2.gz SDPUJZCHSFLDDN-DAXOMENPSA-N 1 0 314.256 4.291 50 0 DIAARO COc1ccc2[nH]c(C[N@H+](Cc3cccnc3)C(C)C)c(C)c2c1 ZINC000824757775 1050243313 /nfs/dbraw/zinc/24/33/13/1050243313.db2.gz FWWIAUNJVSKDOU-UHFFFAOYSA-N 1 0 323.440 4.291 50 0 DIAARO Cc1ccc2c(cc(C[NH+]3CCC(c4ccncc4)CC3)n2C)c1 ZINC000825206824 1050290486 /nfs/dbraw/zinc/29/04/86/1050290486.db2.gz XNXHXYJQXPADRB-UHFFFAOYSA-N 1 0 319.452 4.261 50 0 DIAARO Cc1ccsc1C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000828234795 1050485441 /nfs/dbraw/zinc/48/54/41/1050485441.db2.gz STEUNZZYTHWEAJ-UHFFFAOYSA-N 1 0 314.454 4.295 50 0 DIAARO CO[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC000952978066 1051123521 /nfs/dbraw/zinc/12/35/21/1051123521.db2.gz PCMJLYHXAQWSRL-FQEVSTJZSA-N 1 0 310.441 4.065 50 0 DIAARO CC[N@@H+](Cc1ccc(-c2cccnc2)cc1)C[C@H]1CCCCO1 ZINC000952975224 1051123709 /nfs/dbraw/zinc/12/37/09/1051123709.db2.gz CQVYQBOROCCKLZ-HXUWFJFHSA-N 1 0 310.441 4.140 50 0 DIAARO COc1cccc(C[NH2+][C@H](CC(C)C)c2cccnc2)c1F ZINC000952980708 1051126666 /nfs/dbraw/zinc/12/66/66/1051126666.db2.gz IATGNUCHZZUYLN-MRXNPFEDSA-N 1 0 302.393 4.106 50 0 DIAARO O=C(Nc1cccc(-c2ccc(Cl)cc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000952967176 1051126897 /nfs/dbraw/zinc/12/68/97/1051126897.db2.gz JATGRUBQLVVDHF-KRWDZBQOSA-N 1 0 314.816 4.088 50 0 DIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000011934128 1056874875 /nfs/dbraw/zinc/87/48/75/1056874875.db2.gz UNTRLKZPASUDRF-ZCQBWMKESA-N 1 0 321.464 4.017 50 0 DIAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)o1 ZINC000012076334 1056962130 /nfs/dbraw/zinc/96/21/30/1056962130.db2.gz OXLKEJBDQSLVKG-HNNXBMFYSA-N 1 0 317.816 4.336 50 0 DIAARO OCC1(Cc2ccccc2)CC[NH+](CCCC2CCCC2)CC1 ZINC000012076549 1056962336 /nfs/dbraw/zinc/96/23/36/1056962336.db2.gz SRVANNIPQOGQHZ-UHFFFAOYSA-N 1 0 315.501 4.274 50 0 DIAARO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H]2CCC3)c(-c2cccc(Cl)c2)n1 ZINC000012469620 1056992929 /nfs/dbraw/zinc/99/29/29/1056992929.db2.gz OQJFZIHZBJLCCR-DYVFJYSZSA-N 1 0 315.848 4.115 50 0 DIAARO C[N@H+](Cc1nc(Cc2ccccc2Cl)no1)C1CCCCC1 ZINC000012457012 1056992950 /nfs/dbraw/zinc/99/29/50/1056992950.db2.gz OAZMNKQIIQXHKY-UHFFFAOYSA-N 1 0 319.836 4.078 50 0 DIAARO CC(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012244379 1057000493 /nfs/dbraw/zinc/00/04/93/1057000493.db2.gz MOXQXAHYQGQFHV-ZDUSSCGKSA-N 1 0 319.399 4.190 50 0 DIAARO Fc1cc(Cl)cnc1NCC1([NH+]2CCCCC2)CCCC1 ZINC001506412630 1063508071 /nfs/dbraw/zinc/50/80/71/1063508071.db2.gz ZTFZONKTUFEVTJ-UHFFFAOYSA-N 1 0 311.832 4.085 50 0 DIAARO COCc1cc(C[N@H+](C)[C@H](C)c2cccs2)ccc1OC ZINC001506420553 1063510679 /nfs/dbraw/zinc/51/06/79/1063510679.db2.gz IVIBEYIZTORFAL-CYBMUJFWSA-N 1 0 305.443 4.096 50 0 DIAARO CCCn1ncc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)c1C ZINC001506419393 1063511560 /nfs/dbraw/zinc/51/15/60/1063511560.db2.gz ZUUWMACGTIDHRA-INIZCTEOSA-N 1 0 313.489 4.448 50 0 DIAARO