smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn2c(nc3c(c2Nc2ccc([NH+](C)C)cc2)CCC3)c1-c1ccccc1 ZINC000002350154 209358992 /nfs/dbraw/zinc/35/89/92/209358992.db2.gz FTDWIWQDKHRGOG-UHFFFAOYSA-N 1 2 383.499 5.003 50 0 GKAALO Brc1ccc2ncnc(Nc3ccc([NH+]4CCCCC4)cc3)c2c1 ZINC000000951935 209283874 /nfs/dbraw/zinc/28/38/74/209283874.db2.gz WZACZGDCPUZGTI-UHFFFAOYSA-N 1 2 383.293 5.126 50 0 GKAALO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000000667859 209256283 /nfs/dbraw/zinc/25/62/83/209256283.db2.gz YPOQUKFSQDBXFL-UHFFFAOYSA-N 1 2 383.561 5.282 50 0 GKAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1ccc(Cl)cc1C ZINC000000949017 203866640 /nfs/dbraw/zinc/86/66/40/203866640.db2.gz SCAWKDPEMWKMCS-UHFFFAOYSA-N 1 2 384.863 5.516 50 0 GKAALO Brc1ccc(/C=C2\CCC(C3=CCCC3)=C2[NH+]2CCOCC2)s1 ZINC000003211306 203988703 /nfs/dbraw/zinc/98/87/03/203988703.db2.gz SLEGUAPQQXIDKV-FYWRMAATSA-N 1 2 392.362 5.384 50 0 GKAALO C[C@@H](Nc1nc(N2CCCCC2)[nH+]c2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004361347 204040490 /nfs/dbraw/zinc/04/04/90/204040490.db2.gz YOAQATBFWPFTMD-KNEUKCCGSA-N 1 2 390.575 5.637 50 0 GKAALO CCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000003658766 204018030 /nfs/dbraw/zinc/01/80/30/204018030.db2.gz NMDCAMBBDDEBAQ-UHFFFAOYSA-N 1 2 389.524 5.988 50 0 GKAALO Cc1ccccc1Nc1c(-c2ccccc2O)[nH+]c2ccc(Br)cn21 ZINC000004733836 204070759 /nfs/dbraw/zinc/07/07/59/204070759.db2.gz NLIUWLIWUDEGOW-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO Cc1ccn2c(c1)[nH+]c(-c1ccc(Cl)s1)c2Nc1ccc2c(c1)OCCO2 ZINC000004733877 204071110 /nfs/dbraw/zinc/07/11/10/204071110.db2.gz OMUVRCDMYSIGKJ-UHFFFAOYSA-N 1 2 397.887 5.539 50 0 GKAALO Cc1ccccc1Nc1c(-c2cc(Br)ccc2F)[nH+]c2ccccn21 ZINC000004733717 204071348 /nfs/dbraw/zinc/07/13/48/204071348.db2.gz CIEXPDQTAJTTCW-UHFFFAOYSA-N 1 2 396.263 5.955 50 0 GKAALO Cc1ccc2[nH+]c(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004921884 204091969 /nfs/dbraw/zinc/09/19/69/204091969.db2.gz MJFYODCFYYSDHW-UHFFFAOYSA-N 1 2 395.821 5.575 50 0 GKAALO C(\c1ccccc1)=C1\CCC[C@@H]2C1=[NH+]c1ccccc1S[C@H]2c1ccccc1 ZINC000004844200 204082489 /nfs/dbraw/zinc/08/24/89/204082489.db2.gz UZGHVXQHRUPJIO-DOAJZJKKSA-N 1 2 381.544 7.490 50 0 GKAALO Clc1ccccc1[C@]1(n2cc[nH+]c2)c2ccsc2SCc2ccccc21 ZINC000004529096 204051163 /nfs/dbraw/zinc/05/11/63/204051163.db2.gz VWDROSGRURFAOC-NRFANRHFSA-N 1 2 394.952 6.044 50 0 GKAALO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4ccccc4c2)N3)C1 ZINC000004554097 204051983 /nfs/dbraw/zinc/05/19/83/204051983.db2.gz WRANDMQMQYKIMO-HXUWFJFHSA-N 1 2 377.513 5.097 50 0 GKAALO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4ccccc4c2)N3)C1 ZINC000004554097 204051984 /nfs/dbraw/zinc/05/19/84/204051984.db2.gz WRANDMQMQYKIMO-HXUWFJFHSA-N 1 2 377.513 5.097 50 0 GKAALO CC(C)(C)c1ccc(Cn2c3ccccc3n3cc(-c4ccc(F)cc4)[nH+]c32)cc1 ZINC000005248914 204122448 /nfs/dbraw/zinc/12/24/48/204122448.db2.gz WMWXPIVJMVRVEK-UHFFFAOYSA-N 1 2 397.497 6.441 50 0 GKAALO Clc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005458482 204132864 /nfs/dbraw/zinc/13/28/64/204132864.db2.gz CAFKQBMEQHJCTH-TZIWHRDSSA-N 1 2 394.305 6.489 50 0 GKAALO Fc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005458595 204132970 /nfs/dbraw/zinc/13/29/70/204132970.db2.gz YPAWHTPBKLRGCO-PZJWPPBQSA-N 1 2 377.850 5.975 50 0 GKAALO CCOc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005459894 204133551 /nfs/dbraw/zinc/13/35/51/204133551.db2.gz WCVALFJXTIBBRN-GGAORHGYSA-N 1 2 387.458 5.720 50 0 GKAALO Fc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005459653 204133623 /nfs/dbraw/zinc/13/36/23/204133623.db2.gz VDJRGESRUDDJTJ-CTNGQTDRSA-N 1 2 377.850 5.975 50 0 GKAALO Clc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4[nH+]c32)cc1Cl ZINC000006315813 204174428 /nfs/dbraw/zinc/17/44/28/204174428.db2.gz SRRZUTUKQVWHHV-UHFFFAOYSA-N 1 2 378.262 6.252 50 0 GKAALO Cc1cc(C)c(Cn2cc[nH+]c2CN(C(=O)c2ccccc2F)C(C)C)c(C)c1 ZINC000006724026 204195710 /nfs/dbraw/zinc/19/57/10/204195710.db2.gz UTVGGFVPVHRWJG-UHFFFAOYSA-N 1 2 393.506 5.047 50 0 GKAALO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000006881490 204220230 /nfs/dbraw/zinc/22/02/30/204220230.db2.gz AGGWCQKPWNCZJP-QGZVFWFLSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000006881490 204220232 /nfs/dbraw/zinc/22/02/32/204220232.db2.gz AGGWCQKPWNCZJP-QGZVFWFLSA-N 1 2 385.920 5.034 50 0 GKAALO S=c1n(C[N@@H+]2CCC[C@H]2c2cccs2)nc(C2CC2)n1Cc1ccccc1 ZINC000007143727 204235161 /nfs/dbraw/zinc/23/51/61/204235161.db2.gz XXONJHSXFVSWNJ-SFHVURJKSA-N 1 2 396.585 5.196 50 0 GKAALO S=c1n(C[N@H+]2CCC[C@H]2c2cccs2)nc(C2CC2)n1Cc1ccccc1 ZINC000007143727 204235165 /nfs/dbraw/zinc/23/51/65/204235165.db2.gz XXONJHSXFVSWNJ-SFHVURJKSA-N 1 2 396.585 5.196 50 0 GKAALO CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000007387529 204239686 /nfs/dbraw/zinc/23/96/86/204239686.db2.gz MGWUDSFEZPZXMB-JOCHJYFZSA-N 1 2 394.902 5.208 50 0 GKAALO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000006881491 204220246 /nfs/dbraw/zinc/22/02/46/204220246.db2.gz AGGWCQKPWNCZJP-KRWDZBQOSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000006881491 204220249 /nfs/dbraw/zinc/22/02/49/204220249.db2.gz AGGWCQKPWNCZJP-KRWDZBQOSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@H]3c3cccs3)cs2)cc1 ZINC000008036546 204259016 /nfs/dbraw/zinc/25/90/16/204259016.db2.gz FVBPRDPAQVJULJ-SFHVURJKSA-N 1 2 397.569 5.031 50 0 GKAALO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@H]3c3cccs3)cs2)cc1 ZINC000008036546 204259021 /nfs/dbraw/zinc/25/90/21/204259021.db2.gz FVBPRDPAQVJULJ-SFHVURJKSA-N 1 2 397.569 5.031 50 0 GKAALO Cc1ccc(-n2cc(C[N@@H+](C)[C@H](C)c3ccon3)c(-c3cccc(C)c3)n2)cc1 ZINC000011817828 204354105 /nfs/dbraw/zinc/35/41/05/204354105.db2.gz CVZLOEGCIQPHNP-LJQANCHMSA-N 1 2 386.499 5.337 50 0 GKAALO Cc1ccc(-n2cc(C[N@H+](C)[C@H](C)c3ccon3)c(-c3cccc(C)c3)n2)cc1 ZINC000011817828 204354110 /nfs/dbraw/zinc/35/41/10/204354110.db2.gz CVZLOEGCIQPHNP-LJQANCHMSA-N 1 2 386.499 5.337 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(Nc3ccc(C(C)C)cc3)c12 ZINC000032960529 204934376 /nfs/dbraw/zinc/93/43/76/204934376.db2.gz CXMFVXVVKIMXPB-UHFFFAOYSA-N 1 2 390.918 6.558 50 0 GKAALO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000036347548 205013499 /nfs/dbraw/zinc/01/34/99/205013499.db2.gz MWSYXWKWOHGTAH-OAQYLSRUSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000036347548 205013502 /nfs/dbraw/zinc/01/35/02/205013502.db2.gz MWSYXWKWOHGTAH-OAQYLSRUSA-N 1 2 389.301 5.929 50 0 GKAALO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2F)cc1 ZINC000037522950 205027628 /nfs/dbraw/zinc/02/76/28/205027628.db2.gz VOYOXHUFLLCDSX-DEOSSOPVSA-N 1 2 380.482 5.885 50 0 GKAALO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2F)cc1 ZINC000037522950 205027633 /nfs/dbraw/zinc/02/76/33/205027633.db2.gz VOYOXHUFLLCDSX-DEOSSOPVSA-N 1 2 380.482 5.885 50 0 GKAALO Cc1cc(C)c(-n2cc[nH+]c2P(C2CCCCC2)C2CCCCC2)c(C)c1 ZINC000045074621 205093239 /nfs/dbraw/zinc/09/32/39/205093239.db2.gz ZRVANNJGPCSNAH-UHFFFAOYSA-N 1 2 382.532 6.570 50 0 GKAALO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000055042248 205141931 /nfs/dbraw/zinc/14/19/31/205141931.db2.gz OKDZCMRWNWSETE-UHFFFAOYSA-N 1 2 396.359 5.579 50 0 GKAALO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000055042248 205141934 /nfs/dbraw/zinc/14/19/34/205141934.db2.gz OKDZCMRWNWSETE-UHFFFAOYSA-N 1 2 396.359 5.579 50 0 GKAALO c1ccc(C[N@@H+]2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)cc1 ZINC000057440231 205157188 /nfs/dbraw/zinc/15/71/88/205157188.db2.gz MJZZWZKKZZPBPL-AREMUKBSSA-N 1 2 384.567 6.582 50 0 GKAALO c1ccc(C[N@H+]2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)cc1 ZINC000057440231 205157190 /nfs/dbraw/zinc/15/71/90/205157190.db2.gz MJZZWZKKZZPBPL-AREMUKBSSA-N 1 2 384.567 6.582 50 0 GKAALO O=c1nc(C[N@@H+]2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccccc3)c21 ZINC000057457277 205157854 /nfs/dbraw/zinc/15/78/54/205157854.db2.gz RNFXXDOMBWRYON-MRXNPFEDSA-N 1 2 393.537 5.050 50 0 GKAALO O=c1nc(C[N@H+]2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccccc3)c21 ZINC000057457277 205157859 /nfs/dbraw/zinc/15/78/59/205157859.db2.gz RNFXXDOMBWRYON-MRXNPFEDSA-N 1 2 393.537 5.050 50 0 GKAALO COc1ccc(C[C@@H](Cc2[nH]c3ccccc3[nH+]2)c2nc3ccccc3[nH]2)cc1 ZINC000000852955 209113681 /nfs/dbraw/zinc/11/36/81/209113681.db2.gz GDSUUCHCBXITSQ-KRWDZBQOSA-N 1 2 382.467 5.017 50 0 GKAALO CCC[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000068728343 205272102 /nfs/dbraw/zinc/27/21/02/205272102.db2.gz LEZGVYQYVCUQBH-XCXWGBRNSA-N 1 2 376.327 6.001 50 0 GKAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(C(F)(F)F)cc1 ZINC000001392824 206378569 /nfs/dbraw/zinc/37/85/69/206378569.db2.gz ANAZYJPIJZLXRQ-UHFFFAOYSA-N 1 2 390.361 5.183 50 0 GKAALO Cc1cccc(C[C@@H](c2[nH]c3ccccc3[nH+]2)[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001409354 206379583 /nfs/dbraw/zinc/37/95/83/206379583.db2.gz MRZXGCVXVOWURN-IEBWSBKVSA-N 1 2 380.495 5.878 50 0 GKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2)cc1 ZINC000001447727 206381746 /nfs/dbraw/zinc/38/17/46/206381746.db2.gz UEEQRGWIVDJPBA-UHFFFAOYSA-N 1 2 392.462 5.840 50 0 GKAALO c1ccc(-c2cc(-c3ccc(NC4=[NH+]CCCS4)cc3)nc3ccccc32)cc1 ZINC000005701669 206625191 /nfs/dbraw/zinc/62/51/91/206625191.db2.gz YUUZEYDVELXDIM-UHFFFAOYSA-N 1 2 395.531 6.474 50 0 GKAALO CC(C)(C)c1csc([C@H]([NH2+]Cc2cccc3c[nH]nc32)c2ccccc2)n1 ZINC000097013470 211355434 /nfs/dbraw/zinc/35/54/34/211355434.db2.gz YRFDTTNYQVLRDA-HXUWFJFHSA-N 1 2 376.529 5.196 50 0 GKAALO Cc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C2CCCCC2)cc1C ZINC000082087076 211160285 /nfs/dbraw/zinc/16/02/85/211160285.db2.gz RXRIRGGKCJNWMU-FQEVSTJZSA-N 1 2 378.516 5.141 50 0 GKAALO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+](C)Cc1ccon1 ZINC000072438227 211120158 /nfs/dbraw/zinc/12/01/58/211120158.db2.gz JXSPSEJWBKYCGR-UHFFFAOYSA-N 1 2 393.874 5.184 50 0 GKAALO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@@H+](C)Cc1ccon1 ZINC000072438227 211120161 /nfs/dbraw/zinc/12/01/61/211120161.db2.gz JXSPSEJWBKYCGR-UHFFFAOYSA-N 1 2 393.874 5.184 50 0 GKAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1ccccc1F)N1CCCCC1 ZINC000072328466 211091975 /nfs/dbraw/zinc/09/19/75/211091975.db2.gz JBYQPDUSKIQWQN-UHFFFAOYSA-N 1 2 397.881 5.266 50 0 GKAALO COc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000013810869 207000641 /nfs/dbraw/zinc/00/06/41/207000641.db2.gz BZMIWERBIUDUEA-IFMALSPDSA-N 1 2 389.886 5.845 50 0 GKAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000019879404 207168537 /nfs/dbraw/zinc/16/85/37/207168537.db2.gz IKBXYEIEFAOFAG-NRFANRHFSA-N 1 2 382.294 6.380 50 0 GKAALO CC(C)(C)c1cc([C@@H](c2ccc(O)cc2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000019790504 207161317 /nfs/dbraw/zinc/16/13/17/207161317.db2.gz GZTQKDKRYRWFLP-JOCHJYFZSA-N 1 2 397.559 5.114 50 0 GKAALO CC(C)(C)c1ccc(Cn2c3ccccc3n(CCOc3ccccc3)c2=[NH2+])cc1 ZINC000019855181 207165595 /nfs/dbraw/zinc/16/55/95/207165595.db2.gz QMOJLRKUWVGKAN-UHFFFAOYSA-N 1 2 399.538 5.347 50 0 GKAALO c1csc([C@@H]2c3ccsc3CC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000023968181 207284103 /nfs/dbraw/zinc/28/41/03/207284103.db2.gz SZXHUGXCPNQKDB-IBGZPJMESA-N 1 2 379.510 5.007 50 0 GKAALO c1csc([C@@H]2c3ccsc3CC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000023968181 207284106 /nfs/dbraw/zinc/28/41/06/207284106.db2.gz SZXHUGXCPNQKDB-IBGZPJMESA-N 1 2 379.510 5.007 50 0 GKAALO COc1ccccc1[C@H](C)[NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000023955512 207285113 /nfs/dbraw/zinc/28/51/13/207285113.db2.gz WLBYVSGCKDROEZ-XDHUDOTRSA-N 1 2 384.479 5.451 50 0 GKAALO C[N@H+](Cn1nc(-c2cccs2)n(C2CC2)c1=S)[C@H]1CCCc2ccccc21 ZINC000023611821 207279456 /nfs/dbraw/zinc/27/94/56/207279456.db2.gz DOYPUSBOLQMHKB-SFHVURJKSA-N 1 2 396.585 5.444 50 0 GKAALO C[N@@H+](Cn1nc(-c2cccs2)n(C2CC2)c1=S)[C@H]1CCCc2ccccc21 ZINC000023611821 207279460 /nfs/dbraw/zinc/27/94/60/207279460.db2.gz DOYPUSBOLQMHKB-SFHVURJKSA-N 1 2 396.585 5.444 50 0 GKAALO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)c3nc(-c4cccs4)no3)CC2)c(C)c1 ZINC000026644497 207318239 /nfs/dbraw/zinc/31/82/39/207318239.db2.gz JWERXJLLKFTSNG-MRXNPFEDSA-N 1 2 395.528 5.071 50 0 GKAALO Cn1ccnc1[C@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)c1ccccc1 ZINC000030642858 207373033 /nfs/dbraw/zinc/37/30/33/207373033.db2.gz UIXWJDZALXNYLX-OAQYLSRUSA-N 1 2 377.488 5.167 50 0 GKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccccc1Cl)N1CCCCC1 ZINC000095471185 208191825 /nfs/dbraw/zinc/19/18/25/208191825.db2.gz ZBGMORJUJXTJOV-UHFFFAOYSA-N 1 2 397.881 5.266 50 0 GKAALO COc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101215943 208389467 /nfs/dbraw/zinc/38/94/67/208389467.db2.gz HDLXLVQZANMEDY-IFMALSPDSA-N 1 2 389.886 5.845 50 0 GKAALO COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101215953 208390512 /nfs/dbraw/zinc/39/05/12/208390512.db2.gz HDLXLVQZANMEDY-RBBKRZOGSA-N 1 2 389.886 5.845 50 0 GKAALO CCn1cc[nH+]c1CN(C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000020774702 210361228 /nfs/dbraw/zinc/36/12/28/210361228.db2.gz BPKQDLKQWFZQRB-UHFFFAOYSA-N 1 2 386.499 5.165 50 0 GKAALO Fc1cccc(-c2nnc([C@@H]([NH2+]Cc3ccccc3)c3ccc(Cl)cc3)o2)c1 ZINC000020522699 210342970 /nfs/dbraw/zinc/34/29/70/210342970.db2.gz GTTDYAQWNKYNPB-FQEVSTJZSA-N 1 2 393.849 5.408 50 0 GKAALO C=C1C(CC)=C(c2ccccc2)[NH+]=C(c2ccccc2)N1c1ccc(OC)cc1 ZINC000002270003 220517495 /nfs/dbraw/zinc/51/74/95/220517495.db2.gz XNUOSZLXTVEDBK-UHFFFAOYSA-N 1 2 380.491 6.297 50 0 GKAALO Cc1c(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)noc1-c1ccc(F)cc1 ZINC000008133172 221028210 /nfs/dbraw/zinc/02/82/10/221028210.db2.gz BTGZTDFSBAWBTL-IBGZPJMESA-N 1 2 393.487 5.736 50 0 GKAALO Cc1c(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)noc1-c1ccc(F)cc1 ZINC000008133172 221028214 /nfs/dbraw/zinc/02/82/14/221028214.db2.gz BTGZTDFSBAWBTL-IBGZPJMESA-N 1 2 393.487 5.736 50 0 GKAALO CC[C@@H](c1nnc(SCc2cc(C)cc(C)c2)n1Cc1ccccc1)[NH+](C)C ZINC000007986998 221020037 /nfs/dbraw/zinc/02/00/37/221020037.db2.gz ZXYKASSSFSAYGO-NRFANRHFSA-N 1 2 394.588 5.248 50 0 GKAALO Fc1ccc(-c2noc(C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)n2)cc1 ZINC000008944397 221065318 /nfs/dbraw/zinc/06/53/18/221065318.db2.gz NOEUSDOEHXEIKD-NRFANRHFSA-N 1 2 391.471 5.085 50 0 GKAALO Fc1ccc(-c2noc(C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)n2)cc1 ZINC000008944397 221065320 /nfs/dbraw/zinc/06/53/20/221065320.db2.gz NOEUSDOEHXEIKD-NRFANRHFSA-N 1 2 391.471 5.085 50 0 GKAALO Cc1ccsc1-c1nc(C[N@@H+]2CCC[C@H](C(=O)c3cccs3)C2)c(C)o1 ZINC000012304202 221178362 /nfs/dbraw/zinc/17/83/62/221178362.db2.gz KOBSSTDCMIBBHB-HNNXBMFYSA-N 1 2 386.542 5.176 50 0 GKAALO Cc1ccsc1-c1nc(C[N@H+]2CCC[C@H](C(=O)c3cccs3)C2)c(C)o1 ZINC000012304202 221178367 /nfs/dbraw/zinc/17/83/67/221178367.db2.gz KOBSSTDCMIBBHB-HNNXBMFYSA-N 1 2 386.542 5.176 50 0 GKAALO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3nccs3)c(C)o2)cc1C ZINC000012209260 221168376 /nfs/dbraw/zinc/16/83/76/221168376.db2.gz RAXLAMZOOWDFLO-SFHVURJKSA-N 1 2 383.517 5.151 50 0 GKAALO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3nccs3)c(C)o2)cc1C ZINC000012209260 221168378 /nfs/dbraw/zinc/16/83/78/221168378.db2.gz RAXLAMZOOWDFLO-SFHVURJKSA-N 1 2 383.517 5.151 50 0 GKAALO Fc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000012574531 221208380 /nfs/dbraw/zinc/20/83/80/221208380.db2.gz WQIMFLMJIANBMI-QGZVFWFLSA-N 1 2 391.368 5.232 50 0 GKAALO Fc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000012574531 221208383 /nfs/dbraw/zinc/20/83/83/221208383.db2.gz WQIMFLMJIANBMI-QGZVFWFLSA-N 1 2 391.368 5.232 50 0 GKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCOc2ccccc2C1 ZINC000012387261 221187979 /nfs/dbraw/zinc/18/79/79/221187979.db2.gz BRHKDBFYBFFNBR-UHFFFAOYSA-N 1 2 388.389 5.063 50 0 GKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCOc2ccccc2C1 ZINC000012387261 221187983 /nfs/dbraw/zinc/18/79/83/221187983.db2.gz BRHKDBFYBFFNBR-UHFFFAOYSA-N 1 2 388.389 5.063 50 0 GKAALO Cc1cccc(-n2cc(C[N@H+](C)Cc3nccs3)c(-c3cccc(F)c3)n2)c1 ZINC000012706357 221219110 /nfs/dbraw/zinc/21/91/10/221219110.db2.gz YOZHMYXWZOLRLM-UHFFFAOYSA-N 1 2 392.503 5.075 50 0 GKAALO Cc1cccc(-n2cc(C[N@@H+](C)Cc3nccs3)c(-c3cccc(F)c3)n2)c1 ZINC000012706357 221219114 /nfs/dbraw/zinc/21/91/14/221219114.db2.gz YOZHMYXWZOLRLM-UHFFFAOYSA-N 1 2 392.503 5.075 50 0 GKAALO CCCc1ccc([C@H]([NH2+]Cc2nc(-c3cccs3)no2)c2cccs2)cc1 ZINC000012918608 221246271 /nfs/dbraw/zinc/24/62/71/221246271.db2.gz KXYOLCQQRQVZDN-FQEVSTJZSA-N 1 2 395.553 5.691 50 0 GKAALO CCn1c(CCc2cccc(NC(=O)Nc3cccc(C)c3)c2)[nH+]c2ccccc21 ZINC000013347686 221265958 /nfs/dbraw/zinc/26/59/58/221265958.db2.gz BLUGFKWIUQWITG-UHFFFAOYSA-N 1 2 398.510 5.794 50 0 GKAALO CC(C)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(Cl)c2Cl)cc1 ZINC000013039729 221259427 /nfs/dbraw/zinc/25/94/27/221259427.db2.gz JNNDDVQRXHCAAI-AWEZNQCLSA-N 1 2 379.331 5.576 50 0 GKAALO CC(C)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(Cl)c2Cl)cc1 ZINC000013039729 221259430 /nfs/dbraw/zinc/25/94/30/221259430.db2.gz JNNDDVQRXHCAAI-AWEZNQCLSA-N 1 2 379.331 5.576 50 0 GKAALO CCc1sc(-c2nnc(C[NH2+][C@H](c3cccs3)c3ccccc3)o2)cc1C ZINC000014157474 221301439 /nfs/dbraw/zinc/30/14/39/221301439.db2.gz CVZWLDQGUANGQU-FQEVSTJZSA-N 1 2 395.553 5.610 50 0 GKAALO CC[C@@H](C(=O)Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1ccccc1 ZINC000015863856 221349944 /nfs/dbraw/zinc/34/99/44/221349944.db2.gz ODXYNGMQFXSKDI-OAQYLSRUSA-N 1 2 383.495 5.480 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)CCC2CCCC2)c1 ZINC000015863681 221350105 /nfs/dbraw/zinc/35/01/05/221350105.db2.gz FGOODYZULUJYFG-UHFFFAOYSA-N 1 2 375.516 5.267 50 0 GKAALO CCCCCCNc1[nH+]c2c(ccc3ccccc23)n1CC(=O)c1ccccc1 ZINC000016956608 221374363 /nfs/dbraw/zinc/37/43/63/221374363.db2.gz FFROXVFGOHIAHF-UHFFFAOYSA-N 1 2 385.511 6.065 50 0 GKAALO Cc1cccc(-c2nc3ccccc3c(Nc3ccc([NH+]4CCCCC4)cc3)n2)c1 ZINC000001775564 136193308 /nfs/dbraw/zinc/19/33/08/136193308.db2.gz WSUVYLYVSKLCRE-UHFFFAOYSA-N 1 2 394.522 6.339 50 0 GKAALO FC(F)(F)c1cnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c(Cl)c1 ZINC000014307337 136201567 /nfs/dbraw/zinc/20/15/67/136201567.db2.gz RXHLWPNTVCMYOE-UHFFFAOYSA-N 1 2 380.801 5.014 50 0 GKAALO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000057451180 222033748 /nfs/dbraw/zinc/03/37/48/222033748.db2.gz NDGFOLBNHRUOLD-UHFFFAOYSA-N 1 2 381.785 5.041 50 0 GKAALO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000057451180 222033752 /nfs/dbraw/zinc/03/37/52/222033752.db2.gz NDGFOLBNHRUOLD-UHFFFAOYSA-N 1 2 381.785 5.041 50 0 GKAALO CCC[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000068728342 222173445 /nfs/dbraw/zinc/17/34/45/222173445.db2.gz LEZGVYQYVCUQBH-LGWHJFRWSA-N 1 2 376.327 6.001 50 0 GKAALO C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1c(Cl)cccc1Cl ZINC000096008816 222371591 /nfs/dbraw/zinc/37/15/91/222371591.db2.gz GLCVVNWOVZHVCU-HNNXBMFYSA-N 1 2 394.346 5.012 50 0 GKAALO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1F ZINC000097205947 534234589 /nfs/dbraw/zinc/23/45/89/534234589.db2.gz NSMBQKRYFJELLM-STQMWFEESA-N 1 2 393.384 5.615 50 0 GKAALO COc1cc(OC)c2[nH+]c(C)c3c(c2c1)N(c1cccc(C(F)(F)F)c1)CC3 ZINC000000642434 570213574 /nfs/dbraw/zinc/21/35/74/570213574.db2.gz GNKJAMDQSUTPBH-UHFFFAOYSA-N 1 2 388.389 5.273 50 0 GKAALO Cc1ccc([C@@H]2c3ccccc3OC(c3ccccc3)=C2C[NH+]2CCOCC2)cc1 ZINC000019770567 570217783 /nfs/dbraw/zinc/21/77/83/570217783.db2.gz RYNRCKKXZWKYSH-AREMUKBSSA-N 1 2 397.518 5.263 50 0 GKAALO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1cccc(Br)c1 ZINC000019879357 570226965 /nfs/dbraw/zinc/22/69/65/570226965.db2.gz VGXNPIDAUCMBNF-OAQYLSRUSA-N 1 2 392.300 5.835 50 0 GKAALO CC(=O)c1sc2nc3c(c(-c4cccs4)c2c1-n1cccc1)C[N@H+](C)CC3 ZINC000019889408 570227918 /nfs/dbraw/zinc/22/79/18/570227918.db2.gz YUKMXLKGJGKWPY-UHFFFAOYSA-N 1 2 393.537 5.006 50 0 GKAALO CC(=O)c1sc2nc3c(c(-c4cccs4)c2c1-n1cccc1)C[N@@H+](C)CC3 ZINC000019889408 570227921 /nfs/dbraw/zinc/22/79/21/570227921.db2.gz YUKMXLKGJGKWPY-UHFFFAOYSA-N 1 2 393.537 5.006 50 0 GKAALO Cn1c(=S)n(C[N@@H+]2CCC[C@@H]2c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012814221 570229251 /nfs/dbraw/zinc/22/92/51/570229251.db2.gz GTERHLMHJCZOKX-GOSISDBHSA-N 1 2 384.936 5.066 50 0 GKAALO Cn1c(=S)n(C[N@H+]2CCC[C@@H]2c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012814221 570229253 /nfs/dbraw/zinc/22/92/53/570229253.db2.gz GTERHLMHJCZOKX-GOSISDBHSA-N 1 2 384.936 5.066 50 0 GKAALO Cc1cc(NCc2ccccc2COc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000048354245 570241357 /nfs/dbraw/zinc/24/13/57/570241357.db2.gz YWCGHFUUNVPPMQ-UHFFFAOYSA-N 1 2 382.467 5.038 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccccc3Cl)cc12 ZINC000020113968 570241436 /nfs/dbraw/zinc/24/14/36/570241436.db2.gz CWLGFSRVLMUFJR-UHFFFAOYSA-N 1 2 393.918 5.685 50 0 GKAALO CCOc1ccc(C(=O)Nc2cccc(CCc3[nH]c4ccc(C)cc4[nH+]3)c2)cc1 ZINC000015863595 570279490 /nfs/dbraw/zinc/27/94/90/570279490.db2.gz VSEVIIKZNVAZMN-UHFFFAOYSA-N 1 2 399.494 5.308 50 0 GKAALO CCOc1ccc(C(=O)Nc2cccc(CCc3[nH]c4cc(C)ccc4[nH+]3)c2)cc1 ZINC000015863595 570279493 /nfs/dbraw/zinc/27/94/93/570279493.db2.gz VSEVIIKZNVAZMN-UHFFFAOYSA-N 1 2 399.494 5.308 50 0 GKAALO CC[C@@H](C(=O)Nc1cccc(CCc2[nH]c3ccc(C)cc3[nH+]2)c1)c1ccccc1 ZINC000015863586 570279560 /nfs/dbraw/zinc/27/95/60/570279560.db2.gz ORTGDPCOKPNCMO-JOCHJYFZSA-N 1 2 397.522 5.789 50 0 GKAALO CC[C@@H](C(=O)Nc1cccc(CCc2[nH]c3cc(C)ccc3[nH+]2)c1)c1ccccc1 ZINC000015863586 570279561 /nfs/dbraw/zinc/27/95/61/570279561.db2.gz ORTGDPCOKPNCMO-JOCHJYFZSA-N 1 2 397.522 5.789 50 0 GKAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1ccccc1Cl ZINC000015863879 570279772 /nfs/dbraw/zinc/27/97/72/570279772.db2.gz WWVMVHIDYIKFDG-UHFFFAOYSA-N 1 2 375.859 5.254 50 0 GKAALO CC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)c1C ZINC000035288735 570296816 /nfs/dbraw/zinc/29/68/16/570296816.db2.gz PHWYYIBCWSEWJA-QHCPKHFHSA-N 1 2 394.902 5.049 50 0 GKAALO CC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)c1C ZINC000035288737 570297007 /nfs/dbraw/zinc/29/70/07/570297007.db2.gz PHWYYIBCWSEWJA-HSZRJFAPSA-N 1 2 394.902 5.049 50 0 GKAALO CCc1nc2ccccc2n1Cc1ccc(Cn2c3ccccc3[nH+]c2CC)cc1 ZINC000012311981 570304294 /nfs/dbraw/zinc/30/42/94/570304294.db2.gz JJBZFTCWMUIHRJ-UHFFFAOYSA-N 1 2 394.522 5.607 50 0 GKAALO C[NH+](C)C(C)(C)c1nnnn1[C@@H](/C=C/c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000000754544 570315399 /nfs/dbraw/zinc/31/53/99/570315399.db2.gz KDNZZDWBTGESGU-SOGBHIHOSA-N 1 2 396.366 5.077 50 0 GKAALO C[C@@H](c1cccs1)[N@H+](C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000023338508 570355458 /nfs/dbraw/zinc/35/54/58/570355458.db2.gz YMVZNLFSCPAPNW-KRWDZBQOSA-N 1 2 389.524 5.504 50 0 GKAALO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000023338508 570355462 /nfs/dbraw/zinc/35/54/62/570355462.db2.gz YMVZNLFSCPAPNW-KRWDZBQOSA-N 1 2 389.524 5.504 50 0 GKAALO CCCCCc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000004333188 570368565 /nfs/dbraw/zinc/36/85/65/570368565.db2.gz XTSWTSWUCLHPCD-UHFFFAOYSA-N 1 2 386.561 5.210 50 0 GKAALO Cc1ccc(Nc2c(-c3cccc(Br)c3)[nH+]c3c(C)cccn23)cc1 ZINC000004921865 570369682 /nfs/dbraw/zinc/36/96/82/570369682.db2.gz QIFMCZJRQZRFBH-UHFFFAOYSA-N 1 2 392.300 6.124 50 0 GKAALO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(F)c2)n2c3ccccc3[nH+]c2N1 ZINC000004632155 570389029 /nfs/dbraw/zinc/38/90/29/570389029.db2.gz YBIDUUCWECDALA-JOCHJYFZSA-N 1 2 398.441 5.103 50 0 GKAALO O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)C12CC3CC(CC(C3)C1)C2 ZINC000004631437 570389061 /nfs/dbraw/zinc/38/90/61/570389061.db2.gz GMAKNXARZOCJCW-UHFFFAOYSA-N 1 2 377.532 5.766 50 0 GKAALO Fc1ccc(-c2nc(C[N@@H+]3CCc4sccc4[C@H]3c3cccs3)co2)cc1 ZINC000024756601 570391552 /nfs/dbraw/zinc/39/15/52/570391552.db2.gz APTRCZZWMPDPHF-FQEVSTJZSA-N 1 2 396.512 5.751 50 0 GKAALO Fc1ccc(-c2nc(C[N@H+]3CCc4sccc4[C@H]3c3cccs3)co2)cc1 ZINC000024756601 570391555 /nfs/dbraw/zinc/39/15/55/570391555.db2.gz APTRCZZWMPDPHF-FQEVSTJZSA-N 1 2 396.512 5.751 50 0 GKAALO Fc1ccc(-c2nc(C[N@@H+]3CCc4sccc4[C@@H]3c3cccs3)co2)cc1 ZINC000024756596 570391590 /nfs/dbraw/zinc/39/15/90/570391590.db2.gz APTRCZZWMPDPHF-HXUWFJFHSA-N 1 2 396.512 5.751 50 0 GKAALO Fc1ccc(-c2nc(C[N@H+]3CCc4sccc4[C@@H]3c3cccs3)co2)cc1 ZINC000024756596 570391591 /nfs/dbraw/zinc/39/15/91/570391591.db2.gz APTRCZZWMPDPHF-HXUWFJFHSA-N 1 2 396.512 5.751 50 0 GKAALO Cc1c(C)n(-c2cc(F)cc(F)c2)c2nc[nH+]c(Nc3cccc(Cl)c3)c12 ZINC000032975754 570398604 /nfs/dbraw/zinc/39/86/04/570398604.db2.gz YBLZJQXUEUMPGA-UHFFFAOYSA-N 1 2 384.817 5.713 50 0 GKAALO CCN(CC)c1cc(C)c2cc(NC(=O)Nc3ccc(C)cc3C)ccc2[nH+]1 ZINC000032953961 570398993 /nfs/dbraw/zinc/39/89/93/570398993.db2.gz ZIUZUFLQVQMSSN-UHFFFAOYSA-N 1 2 376.504 5.650 50 0 GKAALO Cn1c2ccc(NC(=O)CCC3CCCC3)cc2[nH+]c1CCc1ccccc1 ZINC000033020502 570399712 /nfs/dbraw/zinc/39/97/12/570399712.db2.gz HYPJKPVTCDCGDL-UHFFFAOYSA-N 1 2 375.516 5.267 50 0 GKAALO Cc1ccc2[nH+]c(-c3cc(C)c(O)c(C)c3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000035622375 570404126 /nfs/dbraw/zinc/40/41/26/570404126.db2.gz IIYUSOONMOQBGY-UHFFFAOYSA-N 1 2 387.439 5.104 50 0 GKAALO CCN(CC)P(=[NH+]c1ccccc1)(c1c(C)nc2ccccn21)N(CC)CC ZINC000005072685 570412987 /nfs/dbraw/zinc/41/29/87/570412987.db2.gz FOMCLTYOEDNTMV-UHFFFAOYSA-N 1 2 397.507 5.315 50 0 GKAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccc(Cl)c(Cl)c1 ZINC000001777762 570423151 /nfs/dbraw/zinc/42/31/51/570423151.db2.gz FUSXAZRDNRDNSA-UHFFFAOYSA-N 1 2 375.255 5.770 50 0 GKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Nc3cccc(Cl)c3)cc12 ZINC000032953725 570433787 /nfs/dbraw/zinc/43/37/87/570433787.db2.gz NEEATJBCYLRYMO-UHFFFAOYSA-N 1 2 394.906 5.831 50 0 GKAALO Cc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1F ZINC000032953787 570433898 /nfs/dbraw/zinc/43/38/98/570433898.db2.gz ZBAVJNYGEPERAO-UHFFFAOYSA-N 1 2 392.478 5.625 50 0 GKAALO Cc1c(Cl)cccc1Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccccc21 ZINC000064471764 570467306 /nfs/dbraw/zinc/46/73/06/570467306.db2.gz MDDYHWNMHPAZCO-UHFFFAOYSA-N 1 2 397.931 5.129 50 0 GKAALO CCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C(C)(C)C)CC3)ccc2[nH+]1 ZINC000006725124 570490280 /nfs/dbraw/zinc/49/02/80/570490280.db2.gz AUVKYNZVPHCBOG-UHFFFAOYSA-N 1 2 395.591 6.180 50 0 GKAALO c1ccc(C[NH+](Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)nc1 ZINC000514250849 570491412 /nfs/dbraw/zinc/49/14/12/570491412.db2.gz PZTAHTHAKURIIR-UHFFFAOYSA-N 1 2 390.490 5.380 50 0 GKAALO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cccc(F)c2)c1 ZINC000002714281 570509363 /nfs/dbraw/zinc/50/93/63/570509363.db2.gz UDPDGRSIMHSTSC-UHFFFAOYSA-N 1 2 394.453 6.279 50 0 GKAALO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cccc(F)c2)cc1 ZINC000002714331 570509461 /nfs/dbraw/zinc/50/94/61/570509461.db2.gz JYNYAYDDMFMYNW-UHFFFAOYSA-N 1 2 394.453 6.279 50 0 GKAALO C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006648884 570518309 /nfs/dbraw/zinc/51/83/09/570518309.db2.gz ZMXIESOEOPFOAZ-SFHVURJKSA-N 1 2 383.451 5.156 50 0 GKAALO Cc1cccn2c(Nc3cccc(Cl)c3C)c(-c3ccc4nccnc4c3)[nH+]c12 ZINC000005248927 570524711 /nfs/dbraw/zinc/52/47/11/570524711.db2.gz BCGBWGBQTGNUMN-UHFFFAOYSA-N 1 2 399.885 5.958 50 0 GKAALO Cc1c(C)n(-c2ccc(F)c(F)c2)c2nc[nH+]c(Nc3cccc(Cl)c3C)c12 ZINC000032960455 570529253 /nfs/dbraw/zinc/52/92/53/570529253.db2.gz RMPWZEAKMSGQPR-UHFFFAOYSA-N 1 2 398.844 6.021 50 0 GKAALO Cc1c(C)n(-c2ccc(F)c(F)c2)c2nc[nH+]c(Nc3ccc(C(C)C)cc3)c12 ZINC000032960465 570529274 /nfs/dbraw/zinc/52/92/74/570529274.db2.gz MUBUAYYVJWYBQZ-UHFFFAOYSA-N 1 2 392.453 6.183 50 0 GKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000032960750 570530797 /nfs/dbraw/zinc/53/07/97/570530797.db2.gz MVQRERVBWGTPHG-UHFFFAOYSA-N 1 2 389.543 5.750 50 0 GKAALO CCn1c(CCc2ccc(NC(=O)c3cccs3)cc2)[nH+]c2ccccc21 ZINC000032960757 570531096 /nfs/dbraw/zinc/53/10/96/570531096.db2.gz NMPAJSJPOQUEBZ-UHFFFAOYSA-N 1 2 375.497 5.155 50 0 GKAALO Cc1ccc(C(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1F ZINC000032960902 570531415 /nfs/dbraw/zinc/53/14/15/570531415.db2.gz ZHHJNOZBQOOKSK-UHFFFAOYSA-N 1 2 387.458 5.058 50 0 GKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000032960764 570531427 /nfs/dbraw/zinc/53/14/27/570531427.db2.gz YNJKRCLNDVDDHB-UHFFFAOYSA-N 1 2 375.516 5.360 50 0 GKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)c4cccc(Cl)c4)cc3)[nH+]c2c1 ZINC000032960915 570532109 /nfs/dbraw/zinc/53/21/09/570532109.db2.gz HMNHMRZIQMRESV-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)c4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000032960915 570532113 /nfs/dbraw/zinc/53/21/13/570532113.db2.gz HMNHMRZIQMRESV-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)[nH+]c2c1 ZINC000032960913 570532187 /nfs/dbraw/zinc/53/21/87/570532187.db2.gz VTBUYGVCZVSTEX-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000032960913 570532193 /nfs/dbraw/zinc/53/21/93/570532193.db2.gz VTBUYGVCZVSTEX-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO CC(C)CN(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)c1cccc(F)c1 ZINC000006689587 570532649 /nfs/dbraw/zinc/53/26/49/570532649.db2.gz TYLDFTSBLMLFBE-UHFFFAOYSA-N 1 2 399.897 5.022 50 0 GKAALO COc1ccccc1C(=O)Nc1ccc2[nH+]c(N3CCC(C)CC3)cc(C)c2c1 ZINC000008591604 570535485 /nfs/dbraw/zinc/53/54/85/570535485.db2.gz JRIICOPQSWQPOB-UHFFFAOYSA-N 1 2 389.499 5.040 50 0 GKAALO Cc1cccc(CC(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)c1 ZINC000008591626 570535608 /nfs/dbraw/zinc/53/56/08/570535608.db2.gz SHTXQRGCWMBGJJ-UHFFFAOYSA-N 1 2 387.527 5.269 50 0 aggregator GKAALO C[C@H]1CCCn2c([C@@H](CC(=O)Nc3ccc(F)cc3)c3ccccc3F)c[nH+]c21 ZINC000034920113 570547752 /nfs/dbraw/zinc/54/77/52/570547752.db2.gz LALXUPSGTOTFEF-KXBFYZLASA-N 1 2 395.453 5.219 50 0 GKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476829 570553708 /nfs/dbraw/zinc/55/37/08/570553708.db2.gz QVPSCVKMSDTXGQ-QFIPXVFZSA-N 1 2 399.519 5.905 50 0 GKAALO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(Nc3ccc(Br)cc3)n2c1 ZINC000035615953 570555664 /nfs/dbraw/zinc/55/56/64/570555664.db2.gz BQQJCJBFAIKQFN-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO COc1c(O)cccc1-c1[nH+]c2cccc(C)n2c1Nc1ccc(C(C)C)cc1 ZINC000035606412 570555889 /nfs/dbraw/zinc/55/58/89/570555889.db2.gz FUIFBWOCDLNOEQ-UHFFFAOYSA-N 1 2 387.483 5.891 50 0 GKAALO Oc1ccccc1-c1[nH+]c2ccccn2c1Nc1ccc(Br)cc1 ZINC000035615989 570555937 /nfs/dbraw/zinc/55/59/37/570555937.db2.gz VFMGOSBLDQEJJG-UHFFFAOYSA-N 1 2 380.245 5.213 50 0 GKAALO Cc1ccc2[nH+]c(-c3cccc(O)c3)c(Nc3ccc(Br)cc3)n2c1 ZINC000035615945 570555973 /nfs/dbraw/zinc/55/59/73/570555973.db2.gz MQMVIFCOUKVTEA-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO COc1cccc(Nc2c(-c3ccc(N(C)C)cc3)[nH+]c3ccc(Cl)cn32)c1 ZINC000035616328 570556272 /nfs/dbraw/zinc/55/62/72/570556272.db2.gz HDOTUCAVSUMQOQ-UHFFFAOYSA-N 1 2 392.890 5.473 50 0 GKAALO COc1cc(-c2[nH+]c3ccc(C)cn3c2Nc2cccc(Cl)c2)ccc1O ZINC000035616228 570556296 /nfs/dbraw/zinc/55/62/96/570556296.db2.gz OQFAMNNEIOSFMB-UHFFFAOYSA-N 1 2 379.847 5.421 50 0 GKAALO COc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2cccc(Cl)c2)cc1OC ZINC000035616145 570556419 /nfs/dbraw/zinc/55/64/19/570556419.db2.gz HIFCRBCTQPPIDF-UHFFFAOYSA-N 1 2 393.874 5.724 50 0 GKAALO Cc1c(Cl)cccc1Nc1c(-c2ccc(O)cc2)[nH+]c2ccc(Cl)cn21 ZINC000035616264 570556426 /nfs/dbraw/zinc/55/64/26/570556426.db2.gz WAJQJXMZIGFFHE-UHFFFAOYSA-N 1 2 384.266 6.066 50 0 GKAALO Cc1c(Cl)cccc1Nc1c(-c2cccc(O)c2)[nH+]c2ccc(Cl)cn21 ZINC000035616532 570556445 /nfs/dbraw/zinc/55/64/45/570556445.db2.gz QHAIJGVBASRCJC-UHFFFAOYSA-N 1 2 384.266 6.066 50 0 GKAALO Cc1[nH+]c2cc(NC(=O)c3nc(Cl)ccc3Cl)ccc2n1-c1ccccc1 ZINC000032971823 570557830 /nfs/dbraw/zinc/55/78/30/570557830.db2.gz UHHDFBTZUGNDKV-UHFFFAOYSA-N 1 2 397.265 5.288 50 0 GKAALO Cc1c(C)n(-c2cc(F)cc(F)c2)c2nc[nH+]c(Nc3cc(C)ccc3C)c12 ZINC000032975759 570570352 /nfs/dbraw/zinc/57/03/52/570570352.db2.gz KGODZOBPLRXNLL-UHFFFAOYSA-N 1 2 378.426 5.676 50 0 GKAALO O=C(c1cccc2ccccc21)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062129270 570579249 /nfs/dbraw/zinc/57/92/49/570579249.db2.gz WCLCDWKPPIBDFQ-UHFFFAOYSA-N 1 2 395.506 5.256 50 0 GKAALO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000011720742 570580978 /nfs/dbraw/zinc/58/09/78/570580978.db2.gz OLWUGPIWSFEMPD-CQSZACIVSA-N 1 2 383.360 5.079 50 0 GKAALO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000011720742 570580979 /nfs/dbraw/zinc/58/09/79/570580979.db2.gz OLWUGPIWSFEMPD-CQSZACIVSA-N 1 2 383.360 5.079 50 0 GKAALO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc(C(F)(F)F)c3)c(C)o2)cc1 ZINC000011815662 570583832 /nfs/dbraw/zinc/58/38/32/570583832.db2.gz MLUBWYNVMVXLAC-UHFFFAOYSA-N 1 2 390.405 5.309 50 0 GKAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(C(F)(F)F)c3)c(C)o2)cc1 ZINC000011815662 570583834 /nfs/dbraw/zinc/58/38/34/570583834.db2.gz MLUBWYNVMVXLAC-UHFFFAOYSA-N 1 2 390.405 5.309 50 0 GKAALO CCOC(=O)c1c(Nc2ccccc2)[nH+]c2ccccc2c1Nc1ccccc1 ZINC000006783937 570590140 /nfs/dbraw/zinc/59/01/40/570590140.db2.gz NRULONUBETWBOU-UHFFFAOYSA-N 1 2 383.451 5.899 50 0 GKAALO Cc1cccc2[nH+]c(-c3cccc4nccnc43)c(Nc3cccc(Cl)c3C)n21 ZINC000005454177 570598133 /nfs/dbraw/zinc/59/81/33/570598133.db2.gz GBIXNMKJJZSGAI-UHFFFAOYSA-N 1 2 399.885 5.958 50 0 GKAALO Cc1ccc(Cn2c3ccccc3n3cc(-c4ccc5c(c4)OCO5)[nH+]c32)cc1 ZINC000005454548 570598682 /nfs/dbraw/zinc/59/86/82/570598682.db2.gz XFPSMSUQMOTIBM-UHFFFAOYSA-N 1 2 381.435 5.041 50 0 GKAALO Cc1ccc(Nc2c(-c3c[nH]c4ccccc43)[nH+]c3ccc(Cl)cn32)cc1C ZINC000005454614 570598698 /nfs/dbraw/zinc/59/86/98/570598698.db2.gz CFMXUKIDCMRWKU-UHFFFAOYSA-N 1 2 386.886 6.496 50 0 GKAALO Cc1ccc(Nc2c(-c3cccc4nccnc43)[nH+]c3ccc(Cl)cn32)c(C)c1 ZINC000005454925 570599538 /nfs/dbraw/zinc/59/95/38/570599538.db2.gz GUGJDKAMNVYCMK-UHFFFAOYSA-N 1 2 399.885 5.958 50 0 GKAALO Fc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005458586 570599715 /nfs/dbraw/zinc/59/97/15/570599715.db2.gz YPAWHTPBKLRGCO-TZIWHRDSSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005458590 570599862 /nfs/dbraw/zinc/59/98/62/570599862.db2.gz YPAWHTPBKLRGCO-FPOVZHCZSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000005459801 570600088 /nfs/dbraw/zinc/60/00/88/570600088.db2.gz BEUYECLFJIHHDZ-QUCCMNQESA-N 1 2 377.850 5.975 50 0 GKAALO CCc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460059 570600395 /nfs/dbraw/zinc/60/03/95/570600395.db2.gz CRALDRDYIVZISS-FYYLOGMGSA-N 1 2 387.914 6.398 50 0 GKAALO COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000005458281 570602112 /nfs/dbraw/zinc/60/21/12/570602112.db2.gz VMFJGHWHHQTYJC-CTNGQTDRSA-N 1 2 389.886 5.845 50 0 GKAALO Clc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c(Cl)c1 ZINC000005460693 570603820 /nfs/dbraw/zinc/60/38/20/570603820.db2.gz LGGACSMJQBHJJC-CTNGQTDRSA-N 1 2 394.305 6.489 50 0 GKAALO COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000005460625 570603862 /nfs/dbraw/zinc/60/38/62/570603862.db2.gz PLQFJQJXWJVEDR-CTNGQTDRSA-N 1 2 385.467 5.200 50 0 GKAALO Clc1cccc([C@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1Cl ZINC000005460754 570604376 /nfs/dbraw/zinc/60/43/76/570604376.db2.gz CISVVJYBEHISQM-UYAOXDASSA-N 1 2 394.305 6.489 50 0 GKAALO COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005461340 570604385 /nfs/dbraw/zinc/60/43/85/570604385.db2.gz CIEUYUDBXOOBHQ-UNMCSNQZSA-N 1 2 389.886 5.845 50 0 GKAALO Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccccc2Cl)c2ccccc2)cc1Cl ZINC000003367201 570604913 /nfs/dbraw/zinc/60/49/13/570604913.db2.gz IXGWVZVAWJEKFT-OAQYLSRUSA-N 1 2 399.321 5.771 50 0 GKAALO CC(=O)c1ccc(Oc2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)cc1 ZINC000033012183 570624366 /nfs/dbraw/zinc/62/43/66/570624366.db2.gz OGUJKRMVDXDAFF-UHFFFAOYSA-N 1 2 395.528 5.289 50 0 GKAALO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)c1OC ZINC000036347951 570630502 /nfs/dbraw/zinc/63/05/02/570630502.db2.gz IQDHCLSEXGLAAN-JOCHJYFZSA-N 1 2 396.918 5.154 50 0 GKAALO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)c1OC ZINC000036347951 570630503 /nfs/dbraw/zinc/63/05/03/570630503.db2.gz IQDHCLSEXGLAAN-JOCHJYFZSA-N 1 2 396.918 5.154 50 0 GKAALO Fc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348255 570630832 /nfs/dbraw/zinc/63/08/32/570630832.db2.gz WPSZCNZZCUJXSE-NRFANRHFSA-N 1 2 388.408 5.641 50 0 GKAALO Fc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348255 570630834 /nfs/dbraw/zinc/63/08/34/570630834.db2.gz WPSZCNZZCUJXSE-NRFANRHFSA-N 1 2 388.408 5.641 50 0 GKAALO CCCn1c(CCc2ccccc2NC(=O)c2cccs2)[nH+]c2ccccc21 ZINC000033019757 570645571 /nfs/dbraw/zinc/64/55/71/570645571.db2.gz PEQZWTRBDZQXMP-UHFFFAOYSA-N 1 2 389.524 5.545 50 0 GKAALO Cc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)cc1F ZINC000033020591 570646725 /nfs/dbraw/zinc/64/67/25/570646725.db2.gz WLKUHZLGYJRMPC-UHFFFAOYSA-N 1 2 387.458 5.058 50 0 GKAALO CCCCn1c(-c2ccccc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000012411008 570656158 /nfs/dbraw/zinc/65/61/58/570656158.db2.gz BAIHKFFQEHNBKJ-UHFFFAOYSA-N 1 2 391.518 6.937 50 0 GKAALO Cc1csc([C@@H](C)[N@H+](C)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)n1 ZINC000012433415 570660723 /nfs/dbraw/zinc/66/07/23/570660723.db2.gz KWQSMZPITYUKES-QGZVFWFLSA-N 1 2 388.540 5.702 50 0 GKAALO Cc1csc([C@@H](C)[N@@H+](C)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)n1 ZINC000012433415 570660726 /nfs/dbraw/zinc/66/07/26/570660726.db2.gz KWQSMZPITYUKES-QGZVFWFLSA-N 1 2 388.540 5.702 50 0 GKAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4s3)c(C)o2)s1 ZINC000012455396 570669186 /nfs/dbraw/zinc/66/91/86/570669186.db2.gz OWRJGKNXQOLBCO-QGZVFWFLSA-N 1 2 395.553 5.967 50 0 GKAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4s3)c(C)o2)s1 ZINC000012455396 570669189 /nfs/dbraw/zinc/66/91/89/570669189.db2.gz OWRJGKNXQOLBCO-QGZVFWFLSA-N 1 2 395.553 5.967 50 0 GKAALO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036398727 570683460 /nfs/dbraw/zinc/68/34/60/570683460.db2.gz VOXRVPIHSQKNLK-JOCHJYFZSA-N 1 2 396.581 5.519 50 0 GKAALO CC(C)c1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036398727 570683464 /nfs/dbraw/zinc/68/34/64/570683464.db2.gz VOXRVPIHSQKNLK-JOCHJYFZSA-N 1 2 396.581 5.519 50 0 GKAALO C[C@@H]1CCC[C@H](C)[N@H+]1Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000005660311 570684714 /nfs/dbraw/zinc/68/47/14/570684714.db2.gz TUYKJMLVUBXSOK-HDICACEKSA-N 1 2 378.545 5.291 50 0 GKAALO C[C@@H]1CCC[C@H](C)[N@@H+]1Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000005660311 570684718 /nfs/dbraw/zinc/68/47/18/570684718.db2.gz 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GKAALO CC[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658678 570881767 /nfs/dbraw/zinc/88/17/67/570881767.db2.gz DMGZYKXGFUHHJL-OAHLLOKOSA-N 1 2 377.488 6.117 50 0 GKAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cccc(Oc2ccccc2)c1 ZINC000012589704 570883250 /nfs/dbraw/zinc/88/32/50/570883250.db2.gz CWFITQYFIJTYLP-UHFFFAOYSA-N 1 2 397.478 5.807 50 0 GKAALO O=C(Nc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC000012590390 570883845 /nfs/dbraw/zinc/88/38/45/570883845.db2.gz BJICFJBBMPMZPO-UHFFFAOYSA-N 1 2 380.757 5.189 50 0 GKAALO C[N@H+](Cc1nc(-c2cccs2)no1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000032893577 570890548 /nfs/dbraw/zinc/89/05/48/570890548.db2.gz YOVYNEGZQMYLKA-FQEVSTJZSA-N 1 2 379.460 5.159 50 0 GKAALO C[N@@H+](Cc1nc(-c2cccs2)no1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000032893577 570890550 /nfs/dbraw/zinc/89/05/50/570890550.db2.gz YOVYNEGZQMYLKA-FQEVSTJZSA-N 1 2 379.460 5.159 50 0 GKAALO O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)[NH+]=C(Nc1nc3ccccc3s1)N2 ZINC000104089576 570895236 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Cc1ccc(-c2[nH+]c3ccc(Br)cn3c2Nc2ccccc2C)s1 ZINC000004733842 570948209 /nfs/dbraw/zinc/94/82/09/570948209.db2.gz UFGHAGZGUNKDBI-UHFFFAOYSA-N 1 2 398.329 6.186 50 0 GKAALO Clc1ccc2[nH+]c(-c3ccccc3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733679 570948340 /nfs/dbraw/zinc/94/83/40/570948340.db2.gz YLEULPDJRIUBLZ-UHFFFAOYSA-N 1 2 377.831 5.170 50 0 GKAALO Cc1ccn2c(c1)[nH+]c(-c1ccc(N3CCOCC3)cc1)c2Nc1ccccc1C ZINC000004733742 570948356 /nfs/dbraw/zinc/94/83/56/570948356.db2.gz JANJYEHFYFKWSO-UHFFFAOYSA-N 1 2 398.510 5.198 50 0 GKAALO Cc1ccc2[nH+]c(-c3ccc(N4CCOCC4)cc3)c(Nc3ccccc3C)n2c1 ZINC000004733767 570948375 /nfs/dbraw/zinc/94/83/75/570948375.db2.gz AJQIMELZRJBRTJ-UHFFFAOYSA-N 1 2 398.510 5.198 50 0 GKAALO CSc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735087 570948974 /nfs/dbraw/zinc/94/89/74/570948974.db2.gz WHOPRUXVSZZWDQ-UHFFFAOYSA-N 1 2 389.480 5.504 50 0 aggregator GKAALO Cc1ccc2[nH+]c(-c3cc(Cl)ccc3F)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004735076 570948984 /nfs/dbraw/zinc/94/89/84/570948984.db2.gz VCIMAANXDNPAQC-UHFFFAOYSA-N 1 2 395.821 5.575 50 0 GKAALO C[C@@H](Cn1cc[nH+]c1)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000000638726 570949204 /nfs/dbraw/zinc/94/92/04/570949204.db2.gz SHHHPGCBAJDAIJ-AWEZNQCLSA-N 1 2 389.282 5.288 50 0 GKAALO COc1cc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc(Cl)cc2)ccc1O ZINC000004733527 570949405 /nfs/dbraw/zinc/94/94/05/570949405.db2.gz HSYIAUSQEMANIJ-UHFFFAOYSA-N 1 2 379.847 5.421 50 0 GKAALO Clc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733590 570949428 /nfs/dbraw/zinc/94/94/28/570949428.db2.gz YQHKLVSVAFDKHT-UHFFFAOYSA-N 1 2 377.831 5.170 50 0 GKAALO CSc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc(Cl)cc2)cc1 ZINC000004733507 570949551 /nfs/dbraw/zinc/94/95/51/570949551.db2.gz PLILRJKHEXNJMT-UHFFFAOYSA-N 1 2 379.916 6.429 50 0 GKAALO COc1cccc(NC(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c1 ZINC000033276954 570952165 /nfs/dbraw/zinc/95/21/65/570952165.db2.gz ZWNMEKJCGGVEHY-UHFFFAOYSA-N 1 2 386.455 5.001 50 0 GKAALO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+](C)[C@H](C)c2nccs2)o1 ZINC000012713230 570967175 /nfs/dbraw/zinc/96/71/75/570967175.db2.gz VKPHIKXWXPRGHG-OAHLLOKOSA-N 1 2 396.491 5.229 50 0 GKAALO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@H+](C)[C@H](C)c2nccs2)o1 ZINC000012713230 570967181 /nfs/dbraw/zinc/96/71/81/570967181.db2.gz VKPHIKXWXPRGHG-OAHLLOKOSA-N 1 2 396.491 5.229 50 0 GKAALO CC[C@H](C(=O)N[C@@H](C)CC)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037398406 571005598 /nfs/dbraw/zinc/00/55/98/571005598.db2.gz KGUQGZQCYWCVBL-LAUBAEHRSA-N 1 2 395.522 5.249 50 0 GKAALO CC[C@@H](C)NC(=O)[C@@H](CC)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037398405 571005656 /nfs/dbraw/zinc/00/56/56/571005656.db2.gz KGUQGZQCYWCVBL-DYESRHJHSA-N 1 2 395.522 5.249 50 0 GKAALO CC[C@H](C(=O)NC(C)C)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037398349 571006261 /nfs/dbraw/zinc/00/62/61/571006261.db2.gz AZZHQUBHAAGRAJ-HXUWFJFHSA-N 1 2 397.950 5.373 50 0 GKAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c(Cl)c1 ZINC000012758891 571008060 /nfs/dbraw/zinc/00/80/60/571008060.db2.gz IMRJMHRLVZUDGC-JOCHJYFZSA-N 1 2 396.943 5.296 50 0 GKAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c(Cl)c1 ZINC000012758891 571008065 /nfs/dbraw/zinc/00/80/65/571008065.db2.gz IMRJMHRLVZUDGC-JOCHJYFZSA-N 1 2 396.943 5.296 50 0 GKAALO Cc1cnc([C@@H](C)Nc2nc(N[C@@H](C)c3ncc(C)s3)c(Cl)c[nH+]2)s1 ZINC000170673595 571008666 /nfs/dbraw/zinc/00/86/66/571008666.db2.gz ZMZSGLLOBLNYTN-WDEREUQCSA-N 1 2 394.957 5.006 50 0 GKAALO Cc1cnc([C@H](C)Nc2nc(N[C@@H](C)c3ncc(C)s3)c(Cl)c[nH+]2)s1 ZINC000170673590 571008736 /nfs/dbraw/zinc/00/87/36/571008736.db2.gz ZMZSGLLOBLNYTN-QWRGUYRKSA-N 1 2 394.957 5.006 50 0 GKAALO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012762861 571012952 /nfs/dbraw/zinc/01/29/52/571012952.db2.gz HBYLMCGOQRQLDA-XMMPIXPASA-N 1 2 390.552 5.458 50 0 GKAALO CC(C)c1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012762861 571012955 /nfs/dbraw/zinc/01/29/55/571012955.db2.gz HBYLMCGOQRQLDA-XMMPIXPASA-N 1 2 390.552 5.458 50 0 GKAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(Oc3ccccc3)cc2)C(=O)[C@H]1C ZINC000037520120 571022481 /nfs/dbraw/zinc/02/24/81/571022481.db2.gz JNIXQBHAEXHPKS-HXUWFJFHSA-N 1 2 386.495 5.025 50 0 GKAALO Cc1ccccc1C[N@H+]1CCN(c2ccc(Oc3ccccc3)cc2)C(=O)[C@H]1C ZINC000037520120 571022486 /nfs/dbraw/zinc/02/24/86/571022486.db2.gz JNIXQBHAEXHPKS-HXUWFJFHSA-N 1 2 386.495 5.025 50 0 GKAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(Oc3ccccc3)cc2)C(=O)[C@@H]1C ZINC000037520119 571022758 /nfs/dbraw/zinc/02/27/58/571022758.db2.gz JNIXQBHAEXHPKS-FQEVSTJZSA-N 1 2 386.495 5.025 50 0 GKAALO Cc1ccccc1C[N@H+]1CCN(c2ccc(Oc3ccccc3)cc2)C(=O)[C@@H]1C ZINC000037520119 571022761 /nfs/dbraw/zinc/02/27/61/571022761.db2.gz JNIXQBHAEXHPKS-FQEVSTJZSA-N 1 2 386.495 5.025 50 0 GKAALO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2c(F)cccc2F)cc1 ZINC000037523379 571025053 /nfs/dbraw/zinc/02/50/53/571025053.db2.gz ZDCVCJWUKQDJQH-XMMPIXPASA-N 1 2 380.482 5.885 50 0 GKAALO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2c(F)cccc2F)cc1 ZINC000037523379 571025056 /nfs/dbraw/zinc/02/50/56/571025056.db2.gz ZDCVCJWUKQDJQH-XMMPIXPASA-N 1 2 380.482 5.885 50 0 GKAALO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)cc1 ZINC000095372879 571062270 /nfs/dbraw/zinc/06/22/70/571062270.db2.gz YVQWYNUKBNJKIU-HXUWFJFHSA-N 1 2 379.548 5.001 50 0 GKAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000095530420 571092933 /nfs/dbraw/zinc/09/29/33/571092933.db2.gz GDNHWRBSMCXNOP-IBGZPJMESA-N 1 2 389.499 5.276 50 0 GKAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4cccc(Cl)c4)c3)[nH+]c2c1 ZINC000015863570 210175413 /nfs/dbraw/zinc/17/54/13/210175413.db2.gz SFLSRYYDODMKGI-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO Cc1ccc2[nH+]c(CCc3cccc(NC(=O)c4cccc(Cl)c4)c3)[nH]c2c1 ZINC000015863570 210175419 /nfs/dbraw/zinc/17/54/19/210175419.db2.gz SFLSRYYDODMKGI-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO CCc1sc(-c2nnc(C[NH2+][C@@H](c3cccs3)c3ccccc3)o2)cc1C ZINC000014157477 210105226 /nfs/dbraw/zinc/10/52/26/210105226.db2.gz CVZWLDQGUANGQU-HXUWFJFHSA-N 1 2 395.553 5.610 50 0 GKAALO CSc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012928118 210032464 /nfs/dbraw/zinc/03/24/64/210032464.db2.gz DORBQHMFJOCZBA-QFIPXVFZSA-N 1 2 394.565 5.056 50 0 GKAALO CSc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012928118 210032467 /nfs/dbraw/zinc/03/24/67/210032467.db2.gz DORBQHMFJOCZBA-QFIPXVFZSA-N 1 2 394.565 5.056 50 0 GKAALO Cc1ccc([C@@H]([NH2+]Cc2nc(-c3ccc(F)cc3)no2)c2cccs2)cc1 ZINC000012792794 210009574 /nfs/dbraw/zinc/00/95/74/210009574.db2.gz XDNQLXOKXVLNBB-HXUWFJFHSA-N 1 2 379.460 5.125 50 0 GKAALO Brc1ccc2c(c1)c1c3n2CC[N@H+](Cc2ccccc2)[C@@H]3CCC1 ZINC000055031720 291142486 /nfs/dbraw/zinc/14/24/86/291142486.db2.gz IWUMSIWXCHHAQK-HXUWFJFHSA-N 1 2 381.317 5.297 50 0 biogenic GKAALO Brc1ccc2c(c1)c1c3n2CC[N@@H+](Cc2ccccc2)[C@@H]3CCC1 ZINC000055031720 291142487 /nfs/dbraw/zinc/14/24/87/291142487.db2.gz IWUMSIWXCHHAQK-HXUWFJFHSA-N 1 2 381.317 5.297 50 0 biogenic GKAALO COc1ccc(C[C@H](c2[nH]c3ccccc3[nH+]2)[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000001205666 209313833 /nfs/dbraw/zinc/31/38/33/209313833.db2.gz CYYBFUSTFOYCEL-LPHOPBHVSA-N 1 2 396.494 5.578 50 0 GKAALO COc1ccc(C[C@H](c2[nH]c3ccccc3[nH+]2)[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000001205658 212228342 /nfs/dbraw/zinc/22/83/42/212228342.db2.gz CYYBFUSTFOYCEL-APWZRJJASA-N 1 2 396.494 5.578 50 0 GKAALO COc1ccccc1-n1c[nH+]c2cc(Nc3nnc(C)c4ccccc34)ccc21 ZINC000001026847 212205687 /nfs/dbraw/zinc/20/56/87/212205687.db2.gz JEBGEGDSZKLPJM-UHFFFAOYSA-N 1 2 381.439 5.029 50 0 GKAALO Cc1cc(C)cc(C[C@@H](Cc2[nH]c3ccccc3[nH+]2)c2nc3ccccc3[nH]2)c1 ZINC000000852953 212190303 /nfs/dbraw/zinc/19/03/03/212190303.db2.gz KOUSZODOLMDLOR-IBGZPJMESA-N 1 2 380.495 5.625 50 0 GKAALO COc1ccccc1C[C@@H](Cc1[nH]c2ccccc2[nH+]1)c1nc2ccccc2[nH]1 ZINC000000824048 212185122 /nfs/dbraw/zinc/18/51/22/212185122.db2.gz FQFJIJMMCVBRBL-KRWDZBQOSA-N 1 2 382.467 5.017 50 0 GKAALO CC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658700 204017764 /nfs/dbraw/zinc/01/77/64/204017764.db2.gz WHVSTKUUXRCMKP-HNNXBMFYSA-N 1 2 391.471 5.296 50 0 GKAALO CC[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1OC ZINC000003658712 204018388 /nfs/dbraw/zinc/01/83/88/204018388.db2.gz IDWQWCFDIQAOLG-INIZCTEOSA-N 1 2 389.524 5.987 50 0 GKAALO CCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658736 204018574 /nfs/dbraw/zinc/01/85/74/204018574.db2.gz WJIGXOPCKXCPOC-UHFFFAOYSA-N 1 2 389.524 5.988 50 0 GKAALO C[C@H](Nc1nc(N2CCCC2)[nH+]c2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004269409 204035772 /nfs/dbraw/zinc/03/57/72/204035772.db2.gz HCTGIYTYULBRDA-RNXZQOMOSA-N 1 2 376.548 5.247 50 0 GKAALO CCCC[NH+](Cc1ccc(Cl)cc1Cl)Cc1ccc(Cl)cc1Cl ZINC000004699182 204065535 /nfs/dbraw/zinc/06/55/35/204065535.db2.gz BEBFKVCTCGRXPF-UHFFFAOYSA-N 1 2 391.169 7.103 50 0 GKAALO Cc1ccccc1Nc1c(-c2ccc(O)cc2)[nH+]c2ccc(Br)cn21 ZINC000004733840 204070381 /nfs/dbraw/zinc/07/03/81/204070381.db2.gz KEDDUUSMEZNOLA-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004733940 204071179 /nfs/dbraw/zinc/07/11/79/204071179.db2.gz BOULGNURQFVESQ-UHFFFAOYSA-N 1 2 377.831 5.435 50 0 GKAALO Clc1ccc2[nH+]c(-c3ccsc3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733874 204071413 /nfs/dbraw/zinc/07/14/13/204071413.db2.gz DRNUWTJYDRPUCE-UHFFFAOYSA-N 1 2 383.860 5.231 50 0 GKAALO Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)[nH+]c3c(C)cccn23)cc1 ZINC000004765228 204074280 /nfs/dbraw/zinc/07/42/80/204074280.db2.gz PONXNPSPBNEXKP-UHFFFAOYSA-N 1 2 398.510 5.198 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccc(Cl)nc3)cc12 ZINC000004757636 204074852 /nfs/dbraw/zinc/07/48/52/204074852.db2.gz XRPHWJGAOBJDSE-UHFFFAOYSA-N 1 2 394.906 5.080 50 0 GKAALO Cc1ccc(Nc2c(-c3cccc(Br)c3)[nH+]c3ccccn32)cc1 ZINC000004794000 204076385 /nfs/dbraw/zinc/07/63/85/204076385.db2.gz ZVZUSWKKFHBZNL-UHFFFAOYSA-N 1 2 378.273 5.816 50 0 GKAALO COCCn1c(-c2ccccc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000004625624 204057884 /nfs/dbraw/zinc/05/78/84/204057884.db2.gz HRPSNAQZWMUTPF-UHFFFAOYSA-N 1 2 393.490 5.783 50 0 GKAALO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c3ccccc3[nH+]c2N1 ZINC000004632166 204059797 /nfs/dbraw/zinc/05/97/97/204059797.db2.gz XGNHNRNPFGOFEE-HXUWFJFHSA-N 1 2 386.480 5.025 50 0 GKAALO Cc1ccccc1Nc1c(-c2cccc3cccnc32)[nH+]c2ccc(Cl)cn21 ZINC000005248894 204122024 /nfs/dbraw/zinc/12/20/24/204122024.db2.gz QSYYZNVRCZLVJW-UHFFFAOYSA-N 1 2 384.870 6.255 50 0 GKAALO Brc1ccccc1-n1c(-c2ccccc2)cn2c3ccccc3[nH+]c21 ZINC000006315820 204173855 /nfs/dbraw/zinc/17/38/55/204173855.db2.gz MHJFZMAUCYUCMT-UHFFFAOYSA-N 1 2 388.268 5.708 50 0 GKAALO FC(F)(F)c1cccc(-n2c(-c3ccccc3)cn3c4ccccc4[nH+]c32)c1 ZINC000006315818 204174173 /nfs/dbraw/zinc/17/41/73/204174173.db2.gz BIKFQZVKKKAIED-UHFFFAOYSA-N 1 2 377.369 5.964 50 0 GKAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(C(=O)c2ccc(Cl)cc2)C(C)C)c1 ZINC000006690518 204191212 /nfs/dbraw/zinc/19/12/12/204191212.db2.gz MWSKHLFNYLDPLU-UHFFFAOYSA-N 1 2 395.934 5.252 50 0 GKAALO CC(C)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCCC1 ZINC000006689446 204191453 /nfs/dbraw/zinc/19/14/53/204191453.db2.gz FMQKSSUQIWPDAA-UHFFFAOYSA-N 1 2 394.346 5.165 50 0 GKAALO CCCCCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)cc1 ZINC000035701184 204996461 /nfs/dbraw/zinc/99/64/61/204996461.db2.gz LFWWBPUXWDJVHW-UHFFFAOYSA-N 1 2 397.522 6.295 50 0 GKAALO Fc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347478 205012368 /nfs/dbraw/zinc/01/23/68/205012368.db2.gz OUGHLQIBEFFPSO-NRFANRHFSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347478 205012370 /nfs/dbraw/zinc/01/23/70/205012370.db2.gz OUGHLQIBEFFPSO-NRFANRHFSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347479 205012808 /nfs/dbraw/zinc/01/28/08/205012808.db2.gz OUGHLQIBEFFPSO-OAQYLSRUSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347479 205012812 /nfs/dbraw/zinc/01/28/12/205012812.db2.gz OUGHLQIBEFFPSO-OAQYLSRUSA-N 1 2 389.301 5.929 50 0 GKAALO Cc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1C ZINC000036446894 205017871 /nfs/dbraw/zinc/01/78/71/205017871.db2.gz CJCYKFYXCQOMNW-OAQYLSRUSA-N 1 2 382.554 5.013 50 0 GKAALO Cc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1C ZINC000036446894 205017875 /nfs/dbraw/zinc/01/78/75/205017875.db2.gz CJCYKFYXCQOMNW-OAQYLSRUSA-N 1 2 382.554 5.013 50 0 GKAALO COc1ccc(C(C)=O)cc1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000058160599 205165254 /nfs/dbraw/zinc/16/52/54/205165254.db2.gz REBFZFRPGUZKQQ-IBGZPJMESA-N 1 2 380.513 5.235 50 0 GKAALO COc1ccc(C(C)=O)cc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000058160599 205165259 /nfs/dbraw/zinc/16/52/59/205165259.db2.gz REBFZFRPGUZKQQ-IBGZPJMESA-N 1 2 380.513 5.235 50 0 GKAALO O=c1nc(C[N@@H+]2CCC[C@H]2c2cccs2)[nH]c2sc(-c3ccccc3)cc21 ZINC000058160588 205166000 /nfs/dbraw/zinc/16/60/00/205166000.db2.gz IAFWJLWAEINAPL-INIZCTEOSA-N 1 2 393.537 5.050 50 0 GKAALO O=c1nc(C[N@H+]2CCC[C@H]2c2cccs2)[nH]c2sc(-c3ccccc3)cc21 ZINC000058160588 205166003 /nfs/dbraw/zinc/16/60/03/205166003.db2.gz IAFWJLWAEINAPL-INIZCTEOSA-N 1 2 393.537 5.050 50 0 GKAALO COc1cc(-c2ccccc2C)cc2c1OCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000059314273 205178930 /nfs/dbraw/zinc/17/89/30/205178930.db2.gz OJVZLPWYRQIRNZ-UHFFFAOYSA-N 1 2 395.449 5.343 50 0 GKAALO COc1cc(-c2ccccc2C)cc2c1OCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000059314273 205178934 /nfs/dbraw/zinc/17/89/34/205178934.db2.gz OJVZLPWYRQIRNZ-UHFFFAOYSA-N 1 2 395.449 5.343 50 0 GKAALO CC(C)c1ccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)cc1 ZINC000064471772 205190148 /nfs/dbraw/zinc/19/01/48/205190148.db2.gz TXWGVSPMJHYBKR-UHFFFAOYSA-N 1 2 391.540 5.291 50 0 GKAALO C[C@H](CCc1ccccc1)Nc1c(C(=O)N2CCCC2)c[nH+]c2ccc(F)cc21 ZINC000067288297 205244797 /nfs/dbraw/zinc/24/47/97/205244797.db2.gz IGMRZTDLCUEZFT-QGZVFWFLSA-N 1 2 391.490 5.043 50 0 GKAALO Cc1ccccc1NC(=O)Cc1nc(C[N@H+](Cc2ccccc2)C(C)C)cs1 ZINC000072314829 205324905 /nfs/dbraw/zinc/32/49/05/205324905.db2.gz YRQCYDACSVDZGE-UHFFFAOYSA-N 1 2 393.556 5.043 50 0 GKAALO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](Cc2ccccc2)C(C)C)cs1 ZINC000072314829 205324909 /nfs/dbraw/zinc/32/49/09/205324909.db2.gz YRQCYDACSVDZGE-UHFFFAOYSA-N 1 2 393.556 5.043 50 0 GKAALO CC(C)(C)c1cc(-c2[nH+]c(-c3ccccc3)c3ccccn32)cc(C(C)(C)C)c1 ZINC000002708407 211516003 /nfs/dbraw/zinc/51/60/03/211516003.db2.gz ORPZVGKSEDHRSV-UHFFFAOYSA-N 1 2 382.551 7.263 50 0 GKAALO COc1ccccc1/C=C\C1N(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000034868748 206310549 /nfs/dbraw/zinc/31/05/49/206310549.db2.gz REWSNFZIGXBLFO-MSUUIHNZSA-N 1 2 384.523 5.053 50 0 GKAALO COc1ccccc1/C=C\C1N(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000034868748 206310553 /nfs/dbraw/zinc/31/05/53/206310553.db2.gz REWSNFZIGXBLFO-MSUUIHNZSA-N 1 2 384.523 5.053 50 0 GKAALO COc1ccccc1C[C@H](Cc1[nH]c2ccccc2[nH+]1)c1nc2ccccc2[nH]1 ZINC000000824049 206325532 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GKAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 ZINC000023994037 207284733 /nfs/dbraw/zinc/28/47/33/207284733.db2.gz QCCBHXZHBLBIAK-UHFFFAOYSA-N 1 2 399.857 5.005 50 0 GKAALO C[N@H+](Cn1nc(-c2cccs2)n(C2CC2)c1=S)[C@@H]1CCCc2ccccc21 ZINC000023611818 207280397 /nfs/dbraw/zinc/28/03/97/207280397.db2.gz DOYPUSBOLQMHKB-GOSISDBHSA-N 1 2 396.585 5.444 50 0 GKAALO C[N@@H+](Cn1nc(-c2cccs2)n(C2CC2)c1=S)[C@@H]1CCCc2ccccc21 ZINC000023611818 207280400 /nfs/dbraw/zinc/28/04/00/207280400.db2.gz DOYPUSBOLQMHKB-GOSISDBHSA-N 1 2 396.585 5.444 50 0 GKAALO O=C(NCCCCCc1[nH]c2ccccc2[nH+]1)c1cc2cccc(Cl)c2s1 ZINC000096118707 208266359 /nfs/dbraw/zinc/26/63/59/208266359.db2.gz QBZBLHOQWOVMKO-UHFFFAOYSA-N 1 2 397.931 5.574 50 0 GKAALO CC(C)(C)c1cc([C@H](c2cccs2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000019790509 210294800 /nfs/dbraw/zinc/29/48/00/210294800.db2.gz LSOCBNJQMCEICU-HXUWFJFHSA-N 1 2 387.589 5.470 50 0 GKAALO COc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(-c2cc(C)cc(C)[nH+]2)c1 ZINC000299785228 209089290 /nfs/dbraw/zinc/08/92/90/209089290.db2.gz RAGOSJARMLKKDZ-IBGZPJMESA-N 1 2 388.511 5.077 50 0 GKAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008158071 221029430 /nfs/dbraw/zinc/02/94/30/221029430.db2.gz RHCKMBAMMKDKAI-OAHLLOKOSA-N 1 2 384.932 5.528 50 0 GKAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008158071 221029433 /nfs/dbraw/zinc/02/94/33/221029433.db2.gz RHCKMBAMMKDKAI-OAHLLOKOSA-N 1 2 384.932 5.528 50 0 GKAALO Cc1sc2nc(C[NH+]3CCCC3)nc(Oc3ccc4ccncc4c3)c2c1C ZINC000008706723 221050761 /nfs/dbraw/zinc/05/07/61/221050761.db2.gz HOLNBQQKNUTAIJ-UHFFFAOYSA-N 1 2 390.512 5.244 50 0 GKAALO C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009378126 221079311 /nfs/dbraw/zinc/07/93/11/221079311.db2.gz ZQEPRPBSSRQOSW-HXUWFJFHSA-N 1 2 395.506 5.272 50 0 GKAALO C[C@H](c1nnc(SCc2ccc(F)cc2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000011214864 221113183 /nfs/dbraw/zinc/11/31/83/221113183.db2.gz BNOSVZCCTDNDGK-QGZVFWFLSA-N 1 2 396.535 5.246 50 0 GKAALO Cc1c(C)n(Cc2cccnc2)c2[nH+]c(-c3cccc(Cl)c3)c(C)c(N)c12 ZINC000012322754 221180692 /nfs/dbraw/zinc/18/06/92/221180692.db2.gz UNHWKBXRVWEGKZ-UHFFFAOYSA-N 1 2 376.891 5.307 50 0 GKAALO Cc1ccc(C)c(-n2cc(C[N@@H+](C)[C@H](C)c3ccon3)c(-c3ccccc3)n2)c1 ZINC000012372815 221186183 /nfs/dbraw/zinc/18/61/83/221186183.db2.gz IQWDKNARKURKBI-LJQANCHMSA-N 1 2 386.499 5.337 50 0 GKAALO Cc1ccc(C)c(-n2cc(C[N@H+](C)[C@H](C)c3ccon3)c(-c3ccccc3)n2)c1 ZINC000012372815 221186185 /nfs/dbraw/zinc/18/61/85/221186185.db2.gz IQWDKNARKURKBI-LJQANCHMSA-N 1 2 386.499 5.337 50 0 GKAALO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012601143 221212891 /nfs/dbraw/zinc/21/28/91/221212891.db2.gz BHZRHXHLDJZGEH-ZDUSSCGKSA-N 1 2 399.903 5.905 50 0 GKAALO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012601143 221212894 /nfs/dbraw/zinc/21/28/94/221212894.db2.gz BHZRHXHLDJZGEH-ZDUSSCGKSA-N 1 2 399.903 5.905 50 0 GKAALO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1sc2ccccc2c1Cl ZINC000012688199 221218329 /nfs/dbraw/zinc/21/83/29/221218329.db2.gz QFIMALVLDJFGOK-UHFFFAOYSA-N 1 2 388.920 5.024 50 0 GKAALO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1sc2ccccc2c1Cl ZINC000012688199 221218331 /nfs/dbraw/zinc/21/83/31/221218331.db2.gz QFIMALVLDJFGOK-UHFFFAOYSA-N 1 2 388.920 5.024 50 0 GKAALO Cc1ccc(C)c(-n2cc(C[N@H+](C)Cc3nccs3)c(-c3ccccc3)n2)c1 ZINC000012589372 221211805 /nfs/dbraw/zinc/21/18/05/221211805.db2.gz DLOYOPDZHUSBMG-UHFFFAOYSA-N 1 2 388.540 5.245 50 0 GKAALO Cc1ccc(C)c(-n2cc(C[N@@H+](C)Cc3nccs3)c(-c3ccccc3)n2)c1 ZINC000012589372 221211808 /nfs/dbraw/zinc/21/18/08/221211808.db2.gz DLOYOPDZHUSBMG-UHFFFAOYSA-N 1 2 388.540 5.245 50 0 GKAALO Cc1ccccc1N1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000013041087 221259017 /nfs/dbraw/zinc/25/90/17/221259017.db2.gz DUMXGMWFVQQIOO-UHFFFAOYSA-N 1 2 383.948 5.094 50 0 GKAALO Cc1ccc(-c2noc3c2ncnc3Nc2ccc([NH+]3CCC(C)CC3)cc2)cc1 ZINC000064835093 136157973 /nfs/dbraw/zinc/15/79/73/136157973.db2.gz CIOSHRQVVNHDHJ-UHFFFAOYSA-N 1 2 399.498 5.573 50 0 GKAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccccc1-c1ccccc1 ZINC000071808123 136166671 /nfs/dbraw/zinc/16/66/71/136166671.db2.gz OXMUDJWKJPSYIK-UHFFFAOYSA-N 1 2 386.499 5.061 50 0 GKAALO COc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000065152877 222105201 /nfs/dbraw/zinc/10/52/01/222105201.db2.gz CRZRXYKINULOOA-UHFFFAOYSA-N 1 2 389.480 5.077 50 0 GKAALO Ic1ccc(-c2[nH+]c(-c3ccccc3)c3ccccn32)cc1 ZINC000000945227 570230855 /nfs/dbraw/zinc/23/08/55/570230855.db2.gz MGJYPQVQHUIGMJ-UHFFFAOYSA-N 1 2 396.231 5.273 50 0 GKAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c(C)c1 ZINC000035262648 570278555 /nfs/dbraw/zinc/27/85/55/570278555.db2.gz FXNGTAHBGRRVNB-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c(C)c1 ZINC000035262648 570278556 /nfs/dbraw/zinc/27/85/56/570278556.db2.gz FXNGTAHBGRRVNB-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO CC[C@H]1C(=O)[C@@H](CC)[C@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000020806277 570282002 /nfs/dbraw/zinc/28/20/02/570282002.db2.gz SIHNWMZLNPZZLD-YRPNKDGESA-N 1 2 376.327 6.001 50 0 GKAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc2ccccc21 ZINC000015880231 570282424 /nfs/dbraw/zinc/28/24/24/570282424.db2.gz FPVSFHDKPVSUAD-UHFFFAOYSA-N 1 2 399.519 5.107 50 0 GKAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc2ccccc21 ZINC000015880231 570282425 /nfs/dbraw/zinc/28/24/25/570282425.db2.gz FPVSFHDKPVSUAD-UHFFFAOYSA-N 1 2 399.519 5.107 50 0 GKAALO Cc1ccc(Cc2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)cs2)cc1 ZINC000023439265 570324104 /nfs/dbraw/zinc/32/41/04/570324104.db2.gz CABAPNPUFZDZEJ-UHFFFAOYSA-N 1 2 398.575 6.245 50 0 GKAALO Clc1ccc(-c2nc(N3CCCCC3)c(Cl)c(N3CCCCC3)[nH+]2)cc1 ZINC000003170143 570331136 /nfs/dbraw/zinc/33/11/36/570331136.db2.gz TUTARRSJTXFYCR-UHFFFAOYSA-N 1 2 391.346 5.431 50 0 GKAALO Cc1cccc2[nH+]c(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCO4)n21 ZINC000004921908 570369617 /nfs/dbraw/zinc/36/96/17/570369617.db2.gz YUOPKESPFHZNLD-UHFFFAOYSA-N 1 2 395.821 5.575 50 0 GKAALO Clc1cccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)c1 ZINC000004921926 570369627 /nfs/dbraw/zinc/36/96/27/570369627.db2.gz GTWFQWKHYBDPBT-UHFFFAOYSA-N 1 2 398.249 5.780 50 0 GKAALO Cc1cccc2[nH+]c(-c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000004921905 570369734 /nfs/dbraw/zinc/36/97/34/570369734.db2.gz QQIFSFPRCZAFRP-UHFFFAOYSA-N 1 2 377.831 5.435 50 0 GKAALO Cc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000004921868 570369781 /nfs/dbraw/zinc/36/97/81/570369781.db2.gz LRYPZBSEVQEAOM-UHFFFAOYSA-N 1 2 377.469 5.194 50 0 GKAALO c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023955877 570375357 /nfs/dbraw/zinc/37/53/57/570375357.db2.gz RQHXXGGMKFHIEF-QGZVFWFLSA-N 1 2 376.485 5.074 50 0 GKAALO c1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023955877 570375361 /nfs/dbraw/zinc/37/53/61/570375361.db2.gz RQHXXGGMKFHIEF-QGZVFWFLSA-N 1 2 376.485 5.074 50 0 GKAALO Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 ZINC000023956983 570375811 /nfs/dbraw/zinc/37/58/11/570375811.db2.gz SVWLIVSWRLHWTB-INIZCTEOSA-N 1 2 396.903 5.337 50 0 GKAALO Clc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 ZINC000023956983 570375813 /nfs/dbraw/zinc/37/58/13/570375813.db2.gz SVWLIVSWRLHWTB-INIZCTEOSA-N 1 2 396.903 5.337 50 0 GKAALO Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 ZINC000023956980 570375881 /nfs/dbraw/zinc/37/58/81/570375881.db2.gz SVWLIVSWRLHWTB-MRXNPFEDSA-N 1 2 396.903 5.337 50 0 GKAALO Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 ZINC000023956980 570375883 /nfs/dbraw/zinc/37/58/83/570375883.db2.gz SVWLIVSWRLHWTB-MRXNPFEDSA-N 1 2 396.903 5.337 50 0 GKAALO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000023956105 570375941 /nfs/dbraw/zinc/37/59/41/570375941.db2.gz UPFCETRJPVBKGT-ISKFKSNPSA-N 1 2 382.463 5.205 50 0 GKAALO Clc1ccccc1[C@@]1(n2cc[nH+]c2)c2ccsc2SCc2ccccc21 ZINC000004529094 570382067 /nfs/dbraw/zinc/38/20/67/570382067.db2.gz VWDROSGRURFAOC-OAQYLSRUSA-N 1 2 394.952 6.044 50 0 GKAALO Cc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004632168 570389054 /nfs/dbraw/zinc/38/90/54/570389054.db2.gz GYSUOACBVOLLBB-QHCPKHFHSA-N 1 2 394.478 5.272 50 0 GKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccccc1Cl ZINC000032960688 570397645 /nfs/dbraw/zinc/39/76/45/570397645.db2.gz PJCXDWBVGUCFAC-UHFFFAOYSA-N 1 2 375.859 5.254 50 0 GKAALO CC(=O)c1cccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)c1 ZINC000032960461 570397670 /nfs/dbraw/zinc/39/76/70/570397670.db2.gz LCQPFRUFVPCZLO-UHFFFAOYSA-N 1 2 392.409 5.262 50 0 GKAALO Cc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccccc1 ZINC000004741614 570401103 /nfs/dbraw/zinc/40/11/03/570401103.db2.gz HVHGWOLQNPHGDF-HSZRJFAPSA-N 1 2 394.478 5.272 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3cccc(Cl)c3)cc12 ZINC000004757583 570403725 /nfs/dbraw/zinc/40/37/25/570403725.db2.gz KOWBZYNTILBMGW-UHFFFAOYSA-N 1 2 393.918 5.685 50 0 GKAALO COC(=O)c1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(C)cc2C)cc1 ZINC000035622061 570403806 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COc1cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000036347445 570628547 /nfs/dbraw/zinc/62/85/47/570628547.db2.gz UDFBRQVPNIXXGH-HSZRJFAPSA-N 1 2 396.918 5.154 50 0 GKAALO COc1cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000036347445 570628552 /nfs/dbraw/zinc/62/85/52/570628552.db2.gz UDFBRQVPNIXXGH-HSZRJFAPSA-N 1 2 396.918 5.154 50 0 GKAALO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000036347468 570628698 /nfs/dbraw/zinc/62/86/98/570628698.db2.gz AYCXABFDGHDONS-QFIPXVFZSA-N 1 2 385.338 6.099 50 0 GKAALO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000036347468 570628703 /nfs/dbraw/zinc/62/87/03/570628703.db2.gz AYCXABFDGHDONS-QFIPXVFZSA-N 1 2 385.338 6.099 50 0 GKAALO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000036347475 570628784 /nfs/dbraw/zinc/62/87/84/570628784.db2.gz BYZSNNUYUUTXNF-NRFANRHFSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000036347475 570628786 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GKAALO Cc1c(C)n(Cc2ccccn2)c2[nH+]c(-c3cccc(Cl)c3)c(C)c(N)c12 ZINC000036351231 570633927 /nfs/dbraw/zinc/63/39/27/570633927.db2.gz SSXFOQAAOKWRDI-UHFFFAOYSA-N 1 2 376.891 5.307 50 0 GKAALO CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH+]ccn2CC)cc1 ZINC000012305693 570638768 /nfs/dbraw/zinc/63/87/68/570638768.db2.gz INZGPAASKOCGEL-VWLOTQADSA-N 1 2 384.527 5.094 50 0 GKAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccccc1Cl ZINC000033019615 570645524 /nfs/dbraw/zinc/64/55/24/570645524.db2.gz ORLFPNRMAHOQRS-UHFFFAOYSA-N 1 2 375.859 5.254 50 0 GKAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cs1 ZINC000012385152 570650303 /nfs/dbraw/zinc/65/03/03/570650303.db2.gz AZSBLCCEONGFJG-INIZCTEOSA-N 1 2 375.921 5.007 50 0 GKAALO CC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cs1 ZINC000012385152 570650305 /nfs/dbraw/zinc/65/03/05/570650305.db2.gz AZSBLCCEONGFJG-INIZCTEOSA-N 1 2 375.921 5.007 50 0 GKAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)c(C)o2)o1 ZINC000012457544 570669628 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GKAALO C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000012797287 570716681 /nfs/dbraw/zinc/71/66/81/570716681.db2.gz MJXOLLLKTWLCCC-GFCCVEGCSA-N 1 2 399.903 5.091 50 0 GKAALO C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000012797287 570716687 /nfs/dbraw/zinc/71/66/87/570716687.db2.gz MJXOLLLKTWLCCC-GFCCVEGCSA-N 1 2 399.903 5.091 50 0 GKAALO O=C(Oc1ccc(-c2[nH+]c(-c3ccccc3)c3ccccn32)cc1)c1ccccc1 ZINC000000939209 570731350 /nfs/dbraw/zinc/73/13/50/570731350.db2.gz JDQKBZADXPGTBJ-UHFFFAOYSA-N 1 2 390.442 5.888 50 0 GKAALO Cc1ccc(NC(=O)[C@H](Nc2ccc([NH+]3CCCC3)cc2)c2ccccc2)cc1 ZINC000007003999 570735361 /nfs/dbraw/zinc/73/53/61/570735361.db2.gz OIHQZCPIGFCUHW-XMMPIXPASA-N 1 2 385.511 5.387 50 0 GKAALO CCOC(=O)c1c(C)n(-c2ccc([NH+](C)C)cc2)c2c1cc(O)c1ccccc21 ZINC000000975694 570741704 /nfs/dbraw/zinc/74/17/04/570741704.db2.gz XTUILQNIACGSDN-UHFFFAOYSA-N 1 2 388.467 5.040 50 0 GKAALO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)cc1 ZINC000004632342 570742510 /nfs/dbraw/zinc/74/25/10/570742510.db2.gz NUVZAKWWEQJCQI-UHFFFAOYSA-N 1 2 384.266 6.060 50 0 GKAALO Cc1cccn2cc(-c3ccccc3NC(=O)c3c(F)cccc3Cl)[nH+]c12 ZINC000206900553 570754931 /nfs/dbraw/zinc/75/49/31/570754931.db2.gz NGOIJMJCUKKQGQ-UHFFFAOYSA-N 1 2 379.822 5.355 50 0 GKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000064790094 570756523 /nfs/dbraw/zinc/75/65/23/570756523.db2.gz CZJDVGOGRPPVHD-SFHVURJKSA-N 1 2 395.509 5.560 50 0 GKAALO Cc1cccc(C)c1NC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2nccs2)cc1 ZINC000065393955 570765012 /nfs/dbraw/zinc/76/50/12/570765012.db2.gz IGBDWWHDAUBLLA-KRWDZBQOSA-N 1 2 379.529 5.205 50 0 GKAALO Cc1cccc(C)c1NC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2nccs2)cc1 ZINC000065393955 570765016 /nfs/dbraw/zinc/76/50/16/570765016.db2.gz IGBDWWHDAUBLLA-KRWDZBQOSA-N 1 2 379.529 5.205 50 0 GKAALO C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000036624511 570767665 /nfs/dbraw/zinc/76/76/65/570767665.db2.gz QMHSOGCMFCSKHQ-QGZVFWFLSA-N 1 2 395.462 5.192 50 0 GKAALO COc1ccccc1C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067678984 570786240 /nfs/dbraw/zinc/78/62/40/570786240.db2.gz KJWNGAOGDSQZTF-UHFFFAOYSA-N 1 2 395.886 5.116 50 0 GKAALO COc1ccccc1C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067678984 570786244 /nfs/dbraw/zinc/78/62/44/570786244.db2.gz KJWNGAOGDSQZTF-UHFFFAOYSA-N 1 2 395.886 5.116 50 0 GKAALO COc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000013810868 570791155 /nfs/dbraw/zinc/79/11/55/570791155.db2.gz BZMIWERBIUDUEA-IRLDBZIGSA-N 1 2 389.886 5.845 50 0 GKAALO C[N@H+](Cc1csc(-c2ccsc2)n1)Cc1ccc(OC(F)(F)F)cc1 ZINC000032777490 570799913 /nfs/dbraw/zinc/79/99/13/570799913.db2.gz YKLHJCWQESNNLM-UHFFFAOYSA-N 1 2 384.448 5.402 50 0 GKAALO C[N@@H+](Cc1csc(-c2ccsc2)n1)Cc1ccc(OC(F)(F)F)cc1 ZINC000032777490 570799914 /nfs/dbraw/zinc/79/99/14/570799914.db2.gz YKLHJCWQESNNLM-UHFFFAOYSA-N 1 2 384.448 5.402 50 0 GKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc12 ZINC000033084571 570806144 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O=C(Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC000012558937 570861121 /nfs/dbraw/zinc/86/11/21/570861121.db2.gz BKRXNGVPFURRJM-UHFFFAOYSA-N 1 2 380.757 5.189 50 0 GKAALO O=C(Nc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC000012559296 570861225 /nfs/dbraw/zinc/86/12/25/570861225.db2.gz XDDGRKTVTLIZJR-UHFFFAOYSA-N 1 2 380.757 5.189 50 0 GKAALO C[S@](=O)c1ccc(CNc2ccc(-c3cccc(C(F)(F)F)c3)c[nH+]2)cc1 ZINC000159044803 570880817 /nfs/dbraw/zinc/88/08/17/570880817.db2.gz XIERXAGJKSCFEA-HHHXNRCGSA-N 1 2 390.430 5.117 50 0 GKAALO CC[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658737 570881599 /nfs/dbraw/zinc/88/15/99/570881599.db2.gz HYJPZEXZUFBKPN-MRXNPFEDSA-N 1 2 389.524 5.987 50 0 GKAALO CC[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658738 570881881 /nfs/dbraw/zinc/88/18/81/570881881.db2.gz HYJPZEXZUFBKPN-INIZCTEOSA-N 1 2 389.524 5.987 50 0 GKAALO FC(F)(F)c1nc2ccccc2c(SCc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000022249205 570884794 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Cc1ccn2c(c1)[nH+]c(-c1cccc(Cl)c1)c2Nc1ccc2c(c1)OCCO2 ZINC000004733617 570948144 /nfs/dbraw/zinc/94/81/44/570948144.db2.gz ZTMROJGSVVSINJ-UHFFFAOYSA-N 1 2 391.858 5.478 50 0 GKAALO Cc1cccc2[nH+]c(-c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000004733664 570948198 /nfs/dbraw/zinc/94/81/98/570948198.db2.gz GDVFYSLEBUJFMZ-UHFFFAOYSA-N 1 2 391.858 5.478 50 0 GKAALO Cc1ccc2[nH+]c(-c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733636 570948262 /nfs/dbraw/zinc/94/82/62/570948262.db2.gz AROHVBHKMIXYHA-UHFFFAOYSA-N 1 2 391.858 5.478 50 0 GKAALO Cc1ccc(Nc2c(-c3ccccc3O)[nH+]c3ccc(Br)cn32)cc1 ZINC000004733923 570948285 /nfs/dbraw/zinc/94/82/85/570948285.db2.gz JRHYHKCDYPLQOM-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO Cc1ccn2c(c1)[nH+]c(-c1ccc(Cl)cc1)c2Nc1ccc2c(c1)OCO2 ZINC000004735112 570948979 /nfs/dbraw/zinc/94/89/79/570948979.db2.gz FRQLFNUYWCUMCL-UHFFFAOYSA-N 1 2 377.831 5.435 50 0 GKAALO Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)[nH+]c3cccc(C)n32)cc1 ZINC000004735085 570949000 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Cc1ccc(Nc2c(-c3c(F)cccc3Cl)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004794011 570993398 /nfs/dbraw/zinc/99/33/98/570993398.db2.gz LDESADPCHHIURT-UHFFFAOYSA-N 1 2 386.257 6.499 50 0 GKAALO Cc1cccc(C)c1Nc1c(-c2ccc(Cl)s2)[nH+]c2ccc(Cl)cn21 ZINC000004793922 570993684 /nfs/dbraw/zinc/99/36/84/570993684.db2.gz VGWDRPRKSOOCHM-UHFFFAOYSA-N 1 2 388.323 6.730 50 0 GKAALO CCC[C@@H](C(=O)NC1CC1)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037397318 571003782 /nfs/dbraw/zinc/00/37/82/571003782.db2.gz OPMLKDSNADXNLF-NRFANRHFSA-N 1 2 393.506 5.003 50 0 GKAALO CCC[C@H](C(=O)NC1CC1)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037397319 571003833 /nfs/dbraw/zinc/00/38/33/571003833.db2.gz OPMLKDSNADXNLF-OAQYLSRUSA-N 1 2 393.506 5.003 50 0 GKAALO CC[C@H](C(=O)NC1CC1)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037398138 571005229 /nfs/dbraw/zinc/00/52/29/571005229.db2.gz INUPLAMLLIMDGF-HXUWFJFHSA-N 1 2 395.934 5.127 50 0 GKAALO CC[C@H](C)NC(=O)[C@H](CC)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037398408 571005575 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GKAALO O=C(CSc1ccccc1)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000015863642 210176574 /nfs/dbraw/zinc/17/65/74/210176574.db2.gz SOCRPMPXEUOICY-UHFFFAOYSA-N 1 2 387.508 5.079 50 0 GKAALO CCn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000015863674 210175350 /nfs/dbraw/zinc/17/53/50/210175350.db2.gz CIUSBPZLRFZSIJ-UHFFFAOYSA-N 1 2 387.458 5.233 50 0 GKAALO Cc1ccc(-n2cc(C[N@H+](C)Cc3nccs3)c(-c3cccc(C)c3)n2)cc1 ZINC000015074548 210151485 /nfs/dbraw/zinc/15/14/85/210151485.db2.gz GEYVIGQZJQBFOC-UHFFFAOYSA-N 1 2 388.540 5.245 50 0 GKAALO Cc1ccc(-n2cc(C[N@@H+](C)Cc3nccs3)c(-c3cccc(C)c3)n2)cc1 ZINC000015074548 210151488 /nfs/dbraw/zinc/15/14/88/210151488.db2.gz GEYVIGQZJQBFOC-UHFFFAOYSA-N 1 2 388.540 5.245 50 0 GKAALO CSc1ccc(Cl)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000012818865 210014676 /nfs/dbraw/zinc/01/46/76/210014676.db2.gz FSYUSQBIHFRNOV-LBPRGKRZSA-N 1 2 395.981 5.003 50 0 GKAALO CSc1ccc(Cl)c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000012818865 210014681 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6.448 50 0 GKAALO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2)c1 ZINC000001447695 209329714 /nfs/dbraw/zinc/32/97/14/209329714.db2.gz QGQHXQOAVDJMKP-UHFFFAOYSA-N 1 2 376.463 6.140 50 0 GKAALO Cc1ccc(C[C@H](c2[nH]c3ccccc3[nH+]2)[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000000662804 209256309 /nfs/dbraw/zinc/25/63/09/209256309.db2.gz WQKUPEGKMDLING-HKUYNNGSSA-N 1 2 380.495 5.878 50 0 GKAALO Cc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 ZINC000245380889 209218387 /nfs/dbraw/zinc/21/83/87/209218387.db2.gz RSLRCOFYVKTFNQ-VWLOTQADSA-N 1 2 392.493 5.680 50 0 GKAALO Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 ZINC000245380889 209218384 /nfs/dbraw/zinc/21/83/84/209218384.db2.gz RSLRCOFYVKTFNQ-VWLOTQADSA-N 1 2 392.493 5.680 50 0 GKAALO COc1ccc(C[C@@H](c2[nH]c3ccccc3[nH+]2)[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000001205649 212228897 /nfs/dbraw/zinc/22/88/97/212228897.db2.gz CYYBFUSTFOYCEL-VQIMIIECSA-N 1 2 396.494 5.578 50 0 GKAALO CC[NH+](CC)c1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn43)cs2)cc1 ZINC000000753720 212178869 /nfs/dbraw/zinc/17/88/69/212178869.db2.gz OTUWDJSIDRUPEU-UHFFFAOYSA-N 1 2 391.544 5.664 50 0 GKAALO Fc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000000756777 212178931 /nfs/dbraw/zinc/17/89/31/212178931.db2.gz QOIFTBUXPRKENM-UHFFFAOYSA-N 1 2 380.426 5.970 50 0 GKAALO Clc1ccc(CO[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000000643055 212168173 /nfs/dbraw/zinc/16/81/73/212168173.db2.gz LEZWWPYKPKIXLL-SFHVURJKSA-N 1 2 381.690 5.801 50 0 aggregator,fda GKAALO CC(C)c1[nH]c2ccc(NC(=O)C[C@@H](c3ccsc3)n3cccc3)cc2[nH+]1 ZINC000263587507 212140994 /nfs/dbraw/zinc/14/09/94/212140994.db2.gz HOXWWVDWHLIJSP-IBGZPJMESA-N 1 2 378.501 5.168 50 0 GKAALO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000003389753 204002905 /nfs/dbraw/zinc/00/29/05/204002905.db2.gz OUZYWMFITSKIIE-CQSZACIVSA-N 1 2 375.299 5.110 50 0 GKAALO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000003389753 204002909 /nfs/dbraw/zinc/00/29/09/204002909.db2.gz OUZYWMFITSKIIE-CQSZACIVSA-N 1 2 375.299 5.110 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CC3CCCCC3)cc12 ZINC000003894489 204020495 /nfs/dbraw/zinc/02/04/95/204020495.db2.gz NSICXUAHRHTFFT-UHFFFAOYSA-N 1 2 379.548 5.688 50 0 GKAALO Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)[nH+]c3cc(C)ccn32)cc1 ZINC000004735111 204070301 /nfs/dbraw/zinc/07/03/01/204070301.db2.gz KFIWDNOWXRWWBU-UHFFFAOYSA-N 1 2 398.510 5.198 50 0 GKAALO Cc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000004733661 204070635 /nfs/dbraw/zinc/07/06/35/204070635.db2.gz URMJURGYWHILJD-UHFFFAOYSA-N 1 2 377.469 5.194 50 0 GKAALO C/C(=C\c1ccccc1)c1[nH+]c2ccc(Cl)cn2c1Nc1ccc(Cl)cc1 ZINC000004733533 204071212 /nfs/dbraw/zinc/07/12/12/204071212.db2.gz CKBMXNLOOXQVEJ-FYWRMAATSA-N 1 2 394.305 6.945 50 0 GKAALO Clc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004921922 204091996 /nfs/dbraw/zinc/09/19/96/204091996.db2.gz ZOAAVZPFPRTLCG-UHFFFAOYSA-N 1 2 398.249 5.780 50 0 GKAALO O=C(Nc1c2ccccc2[nH+]c2c1CCCC2)c1ccccc1Br ZINC000004995313 204100987 /nfs/dbraw/zinc/10/09/87/204100987.db2.gz HDYXCFDHPFWFAN-UHFFFAOYSA-N 1 2 381.273 5.128 50 0 GKAALO Clc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005458477 204132899 /nfs/dbraw/zinc/13/28/99/204132899.db2.gz CAFKQBMEQHJCTH-CTNGQTDRSA-N 1 2 394.305 6.489 50 0 GKAALO Fc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005461517 204135156 /nfs/dbraw/zinc/13/51/56/204135156.db2.gz UNSCZQCOQKUDFV-FPOVZHCZSA-N 1 2 377.850 5.975 50 0 GKAALO C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006657740 204189686 /nfs/dbraw/zinc/18/96/86/204189686.db2.gz NWGXTANPSLKXIF-ZDUSSCGKSA-N 1 2 381.888 5.231 50 0 GKAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000006689384 204191845 /nfs/dbraw/zinc/19/18/45/204191845.db2.gz LASWOHBSOXGYDS-UHFFFAOYSA-N 1 2 382.335 5.021 50 0 GKAALO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000007004081 204230615 /nfs/dbraw/zinc/23/06/15/204230615.db2.gz UMZILMHOWLZFKT-LJQANCHMSA-N 1 2 385.511 5.393 50 0 GKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000007580492 204243577 /nfs/dbraw/zinc/24/35/77/204243577.db2.gz LMJHAOSURMGNIJ-UHFFFAOYSA-N 1 2 382.529 5.414 50 0 GKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000007580492 204243580 /nfs/dbraw/zinc/24/35/80/204243580.db2.gz LMJHAOSURMGNIJ-UHFFFAOYSA-N 1 2 382.529 5.414 50 0 GKAALO Cc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1F ZINC000008601989 204280899 /nfs/dbraw/zinc/28/08/99/204280899.db2.gz XEMLTQCTEJBVHB-UHFFFAOYSA-N 1 2 377.463 5.233 50 0 GKAALO CC[C@@H](c1nnc(SC/C=C/c2ccccc2)n1Cc1ccccc1)[NH+](C)C ZINC000008128334 204261366 /nfs/dbraw/zinc/26/13/66/204261366.db2.gz BJYNHISEMMJNFO-HZBHDWBUSA-N 1 2 392.572 5.145 50 0 GKAALO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)noc1-c1ccc(F)cc1 ZINC000008133171 204263087 /nfs/dbraw/zinc/26/30/87/204263087.db2.gz BTGZTDFSBAWBTL-LJQANCHMSA-N 1 2 393.487 5.736 50 0 GKAALO Cc1c(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)noc1-c1ccc(F)cc1 ZINC000008133171 204263090 /nfs/dbraw/zinc/26/30/90/204263090.db2.gz BTGZTDFSBAWBTL-LJQANCHMSA-N 1 2 393.487 5.736 50 0 GKAALO Cn1ccnc1[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000011754050 204352278 /nfs/dbraw/zinc/35/22/78/204352278.db2.gz KVNAGWWVWWKERW-HSZRJFAPSA-N 1 2 397.526 5.204 50 0 GKAALO Cn1ccnc1[C@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000011754050 204352281 /nfs/dbraw/zinc/35/22/81/204352281.db2.gz KVNAGWWVWWKERW-HSZRJFAPSA-N 1 2 397.526 5.204 50 0 GKAALO Cc1c(C)n(-c2cc(F)cc(F)c2)c2nc[nH+]c(Nc3ccc(C)c(C)c3)c12 ZINC000032975758 204935089 /nfs/dbraw/zinc/93/50/89/204935089.db2.gz DAAXCILOJOFVQU-UHFFFAOYSA-N 1 2 378.426 5.676 50 0 GKAALO c1ccc(CNc2nc(NCc3ccccc3)c(Cc3ccccc3)c[nH+]2)cc1 ZINC000071769167 205030158 /nfs/dbraw/zinc/03/01/58/205030158.db2.gz WTQYCXZVSOCSMG-UHFFFAOYSA-N 1 2 380.495 5.292 50 0 GKAALO CCn1cc[nH+]c1CN1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1Cl ZINC000097272578 209136349 /nfs/dbraw/zinc/13/63/49/209136349.db2.gz WULRLTJONVXUGX-HSZRJFAPSA-N 1 2 390.918 5.185 50 0 GKAALO COc1ccc(C[C@H](Cc2[nH]c3ccccc3[nH+]2)c2nc3ccccc3[nH]2)cc1 ZINC000000852956 209112981 /nfs/dbraw/zinc/11/29/81/209112981.db2.gz GDSUUCHCBXITSQ-QGZVFWFLSA-N 1 2 382.467 5.017 50 0 GKAALO CCC[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000068728341 205271560 /nfs/dbraw/zinc/27/15/60/205271560.db2.gz LEZGVYQYVCUQBH-KJYZGMDISA-N 1 2 376.327 6.001 50 0 GKAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1ccccc1)N1CCCCC1 ZINC000072328456 205326708 /nfs/dbraw/zinc/32/67/08/205326708.db2.gz LDQYSSACUUYFNN-UHFFFAOYSA-N 1 2 379.891 5.126 50 0 GKAALO Fc1ccccc1CNc1cc(-c2ccccc2)c2cc3c(cc2[nH+]1)OCCO3 ZINC000084560067 205396323 /nfs/dbraw/zinc/39/63/23/205396323.db2.gz KHWJVSWQNWAVFZ-UHFFFAOYSA-N 1 2 386.426 5.424 50 0 GKAALO Cc1cccc(-n2c(=S)n(C[NH+]3CCCC3)nc2-c2ccc(Cl)cc2)c1 ZINC000013097623 211696517 /nfs/dbraw/zinc/69/65/17/211696517.db2.gz VRGKFZKDXWHJOS-UHFFFAOYSA-N 1 2 384.936 5.085 50 0 GKAALO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@H+](Cc1ccoc1)C2 ZINC000299787654 206189710 /nfs/dbraw/zinc/18/97/10/206189710.db2.gz YEKOZZWQAFNOIJ-UHFFFAOYSA-N 1 2 381.497 5.072 50 0 GKAALO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@@H+](Cc1ccoc1)C2 ZINC000299787654 206189712 /nfs/dbraw/zinc/18/97/12/206189712.db2.gz YEKOZZWQAFNOIJ-UHFFFAOYSA-N 1 2 381.497 5.072 50 0 GKAALO O=C(Nc1ccc(Cl)cc1)C1=C([NH+]2CCCCC2)/C(=C/c2ccncc2)CC1 ZINC000006508045 206295018 /nfs/dbraw/zinc/29/50/18/206295018.db2.gz XKPVLIHINJSLEH-FBMGVBCBSA-N 1 2 393.918 5.291 50 0 GKAALO Clc1ccc(CO[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000000596881 206307580 /nfs/dbraw/zinc/30/75/80/206307580.db2.gz LEZWWPYKPKIXLL-GOSISDBHSA-N 1 2 381.690 5.801 50 0 aggregator,fda GKAALO Cc1cccc(C)c1Nc1c(-c2ccc(-c3ccccc3)s2)[nH+]c2ccccn21 ZINC000004733518 206549135 /nfs/dbraw/zinc/54/91/35/206549135.db2.gz FTARBIPMSCOSNT-UHFFFAOYSA-N 1 2 395.531 7.090 50 0 GKAALO Cc1c(Cl)c(C[N@H+](C)Cc2ccc(Br)cc2)nc2ccccc12 ZINC000014086815 207008790 /nfs/dbraw/zinc/00/87/90/207008790.db2.gz WANVYOWILJHMGH-UHFFFAOYSA-N 1 2 389.724 5.591 50 0 GKAALO Cc1c(Cl)c(C[N@@H+](C)Cc2ccc(Br)cc2)nc2ccccc12 ZINC000014086815 207008794 /nfs/dbraw/zinc/00/87/94/207008794.db2.gz WANVYOWILJHMGH-UHFFFAOYSA-N 1 2 389.724 5.591 50 0 GKAALO Cc1ccc2cc(CN(C(=O)c3cccc(Cl)c3)C3CC3)c(N(C)C)[nH+]c2c1 ZINC000014980781 207039330 /nfs/dbraw/zinc/03/93/30/207039330.db2.gz GOPMTABXSKVSIZ-UHFFFAOYSA-N 1 2 393.918 5.067 50 0 GKAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccccc3)n2)c(OC)c1 ZINC000015366874 207051774 /nfs/dbraw/zinc/05/17/74/207051774.db2.gz BASYUUNEBGVGRQ-FQEVSTJZSA-N 1 2 380.513 5.164 50 0 GKAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccccc3)n2)c(OC)c1 ZINC000015366874 207051775 /nfs/dbraw/zinc/05/17/75/207051775.db2.gz BASYUUNEBGVGRQ-FQEVSTJZSA-N 1 2 380.513 5.164 50 0 GKAALO c1csc([C@H]2c3ccsc3CC[N@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000015548789 207053512 /nfs/dbraw/zinc/05/35/12/207053512.db2.gz LIEUGSACDMBFOG-LJQANCHMSA-N 1 2 379.510 5.007 50 0 GKAALO c1csc([C@H]2c3ccsc3CC[N@@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000015548789 207053516 /nfs/dbraw/zinc/05/35/16/207053516.db2.gz LIEUGSACDMBFOG-LJQANCHMSA-N 1 2 379.510 5.007 50 0 GKAALO Cc1ccc(NC(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1 ZINC000021704867 207235334 /nfs/dbraw/zinc/23/53/34/207235334.db2.gz ZAYVIHRZFQTSSQ-UHFFFAOYSA-N 1 2 384.483 5.311 50 0 GKAALO CC(C)(C)CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022623207 207257641 /nfs/dbraw/zinc/25/76/41/207257641.db2.gz SUCRITNRLKZTCI-QFIPXVFZSA-N 1 2 384.951 5.010 50 0 GKAALO C[C@@H](c1nccs1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000023478922 207277357 /nfs/dbraw/zinc/27/73/57/207277357.db2.gz XWTMDFIAOAWCAP-KRWDZBQOSA-N 1 2 394.588 5.784 50 0 GKAALO C[C@@H](c1nccs1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000023478922 207277360 /nfs/dbraw/zinc/27/73/60/207277360.db2.gz XWTMDFIAOAWCAP-KRWDZBQOSA-N 1 2 394.588 5.784 50 0 GKAALO c1csc([C@H]2c3ccsc3CC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000023968183 207284432 /nfs/dbraw/zinc/28/44/32/207284432.db2.gz SZXHUGXCPNQKDB-LJQANCHMSA-N 1 2 379.510 5.007 50 0 GKAALO c1csc([C@H]2c3ccsc3CC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000023968183 207284437 /nfs/dbraw/zinc/28/44/37/207284437.db2.gz SZXHUGXCPNQKDB-LJQANCHMSA-N 1 2 379.510 5.007 50 0 GKAALO Cc1cc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3nc4ccccc4s3)o2)c(C)o1 ZINC000023957148 207284681 /nfs/dbraw/zinc/28/46/81/207284681.db2.gz LVVRWKJGRLPIBI-KRWDZBQOSA-N 1 2 394.500 5.283 50 0 GKAALO Cc1cc(-c2nnc(C[N@H+]3CCCC[C@H]3c3nc4ccccc4s3)o2)c(C)o1 ZINC000023957148 207284684 /nfs/dbraw/zinc/28/46/84/207284684.db2.gz LVVRWKJGRLPIBI-KRWDZBQOSA-N 1 2 394.500 5.283 50 0 GKAALO C[C@H](c1nccs1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000023478920 207278603 /nfs/dbraw/zinc/27/86/03/207278603.db2.gz XWTMDFIAOAWCAP-QGZVFWFLSA-N 1 2 394.588 5.784 50 0 GKAALO C[C@H](c1nccs1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000023478920 207278608 /nfs/dbraw/zinc/27/86/08/207278608.db2.gz XWTMDFIAOAWCAP-QGZVFWFLSA-N 1 2 394.588 5.784 50 0 GKAALO CC(C)c1ccc([C@H]([NH2+]Cc2nc(-c3ccsc3)no2)c2cccs2)cc1 ZINC000029963210 207366645 /nfs/dbraw/zinc/36/66/45/207366645.db2.gz GQAXMDJWBLEODP-FQEVSTJZSA-N 1 2 395.553 5.862 50 0 GKAALO CC(C)c1ccc([C@@H]([NH2+]Cc2nc(-c3ccsc3)no2)c2cccs2)cc1 ZINC000029963206 207366875 /nfs/dbraw/zinc/36/68/75/207366875.db2.gz GQAXMDJWBLEODP-HXUWFJFHSA-N 1 2 395.553 5.862 50 0 GKAALO FC(F)(F)c1ccc(-c2nc(Cn3cc[nH+]c3-c3cccnc3)cs2)cc1 ZINC000095464712 208189227 /nfs/dbraw/zinc/18/92/27/208189227.db2.gz VZHJQKVDMHWXFE-UHFFFAOYSA-N 1 2 386.402 5.136 50 0 GKAALO FC(F)(F)c1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cc[nH+]2)c1 ZINC000012204370 210457232 /nfs/dbraw/zinc/45/72/32/210457232.db2.gz MUZHSZPGGGEVLT-NRFANRHFSA-N 1 2 396.416 5.058 50 0 GKAALO Cc1ccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c(C)c1 ZINC000021704947 210388994 /nfs/dbraw/zinc/38/89/94/210388994.db2.gz VQKFFRNIIRUXRA-UHFFFAOYSA-N 1 2 398.510 5.619 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3cccc(F)c3)cc12 ZINC000021116093 210378104 /nfs/dbraw/zinc/37/81/04/210378104.db2.gz QMHVLSHUQUITEX-UHFFFAOYSA-N 1 2 377.463 5.171 50 0 GKAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000020529074 210343569 /nfs/dbraw/zinc/34/35/69/210343569.db2.gz RBAQUPUEENWLNV-AREMUKBSSA-N 1 2 382.507 5.633 50 0 biogenic,in-vitro GKAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000020529074 210343574 /nfs/dbraw/zinc/34/35/74/210343574.db2.gz RBAQUPUEENWLNV-AREMUKBSSA-N 1 2 382.507 5.633 50 0 biogenic,in-vitro GKAALO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000019879411 210305373 /nfs/dbraw/zinc/30/53/73/210305373.db2.gz IRADSKWXOJBRMS-OAQYLSRUSA-N 1 2 392.300 5.835 50 0 GKAALO COc1cccc([C@H]2CCCN2C(=O)c2cccc(-c3cc(C)cc(C)[nH+]3)c2)c1 ZINC000299788301 209088979 /nfs/dbraw/zinc/08/89/79/209088979.db2.gz TZNVLBGNGAOJKO-XMMPIXPASA-N 1 2 386.495 5.351 50 0 GKAALO c1nc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)oc1-c1ccccc1 ZINC000008005073 221023523 /nfs/dbraw/zinc/02/35/23/221023523.db2.gz IRORLTMXCOSTIA-SFHVURJKSA-N 1 2 375.497 5.679 50 0 GKAALO c1nc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3s2)oc1-c1ccccc1 ZINC000008005073 221023528 /nfs/dbraw/zinc/02/35/28/221023528.db2.gz IRORLTMXCOSTIA-SFHVURJKSA-N 1 2 375.497 5.679 50 0 GKAALO c1c(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)noc1-c1ccccc1 ZINC000008005220 221024223 /nfs/dbraw/zinc/02/42/23/221024223.db2.gz AEIZJYKYLIMVSM-IBGZPJMESA-N 1 2 375.497 5.679 50 0 GKAALO c1c(C[N@H+]2CCCC[C@H]2c2nc3ccccc3s2)noc1-c1ccccc1 ZINC000008005220 221024226 /nfs/dbraw/zinc/02/42/26/221024226.db2.gz AEIZJYKYLIMVSM-IBGZPJMESA-N 1 2 375.497 5.679 50 0 GKAALO Cn1cc[nH+]c1CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000008719725 221051600 /nfs/dbraw/zinc/05/16/00/221051600.db2.gz QVGHNWZHFZPVQF-UHFFFAOYSA-N 1 2 395.513 5.100 50 0 GKAALO C[C@@H]([NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc2ccccc2o1 ZINC000009501640 221083006 /nfs/dbraw/zinc/08/30/06/221083006.db2.gz UEWBQJJCSIQQDG-WAIKUNEKSA-N 1 2 388.442 5.603 50 0 GKAALO CC(C)(C)c1[nH]c2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2[nH+]1 ZINC000012520040 221201666 /nfs/dbraw/zinc/20/16/66/221201666.db2.gz JOEMRTGUHPFVTO-UHFFFAOYSA-N 1 2 388.471 5.087 50 0 GKAALO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012570989 221209161 /nfs/dbraw/zinc/20/91/61/221209161.db2.gz OHUBVPISARBQFN-HNNXBMFYSA-N 1 2 386.542 5.176 50 0 GKAALO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012570989 221209162 /nfs/dbraw/zinc/20/91/62/221209162.db2.gz OHUBVPISARBQFN-HNNXBMFYSA-N 1 2 386.542 5.176 50 0 GKAALO CSc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012758935 221226604 /nfs/dbraw/zinc/22/66/04/221226604.db2.gz RYCXERKYSKBDPP-QFIPXVFZSA-N 1 2 394.565 5.056 50 0 GKAALO CSc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012758935 221226606 /nfs/dbraw/zinc/22/66/06/221226606.db2.gz RYCXERKYSKBDPP-QFIPXVFZSA-N 1 2 394.565 5.056 50 0 GKAALO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@@H](C)c2cc3ccccc3o2)c2ccccc2)c1 ZINC000012859849 221239483 /nfs/dbraw/zinc/23/94/83/221239483.db2.gz NDELJZSXFOPTFI-DFBJGRDBSA-N 1 2 398.506 6.080 50 0 GKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)Nc1cc(F)ccc1F ZINC000013348137 221265934 /nfs/dbraw/zinc/26/59/34/221265934.db2.gz OROWLHYLTYWTTC-UHFFFAOYSA-N 1 2 392.409 5.270 50 0 GKAALO Cc1cccn2cc(CSc3nnc(Nc4ccc(C(C)C)cc4)s3)[nH+]c12 ZINC000013136986 221262812 /nfs/dbraw/zinc/26/28/12/221262812.db2.gz LAHQFIBTFCVLNH-UHFFFAOYSA-N 1 2 395.557 5.654 50 0 GKAALO Cc1ccc(-n2cc(C[N@@H+](C)[C@H](C)c3ccon3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015074351 221331542 /nfs/dbraw/zinc/33/15/42/221331542.db2.gz CMVDFWYNLSPDRT-QGZVFWFLSA-N 1 2 390.462 5.168 50 0 GKAALO Cc1ccc(-n2cc(C[N@H+](C)[C@H](C)c3ccon3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015074351 221331545 /nfs/dbraw/zinc/33/15/45/221331545.db2.gz CMVDFWYNLSPDRT-QGZVFWFLSA-N 1 2 390.462 5.168 50 0 GKAALO Cc1ccc(C)c(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000015860794 221349215 /nfs/dbraw/zinc/34/92/15/221349215.db2.gz GFZADLBIHDHCEV-FQEVSTJZSA-N 1 2 378.516 5.141 50 0 GKAALO CC[C@H](C(=O)Nc1cccc(CCc2[nH]c3ccc(C)cc3[nH+]2)c1)c1ccccc1 ZINC000015863587 221349725 /nfs/dbraw/zinc/34/97/25/221349725.db2.gz ORTGDPCOKPNCMO-QFIPXVFZSA-N 1 2 397.522 5.789 50 0 GKAALO CC[C@H](C(=O)Nc1cccc(CCc2[nH]c3cc(C)ccc3[nH+]2)c1)c1ccccc1 ZINC000015863587 221349727 /nfs/dbraw/zinc/34/97/27/221349727.db2.gz ORTGDPCOKPNCMO-QFIPXVFZSA-N 1 2 397.522 5.789 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000015863677 221350330 /nfs/dbraw/zinc/35/03/30/221350330.db2.gz IVEQBFOMMJAASF-UHFFFAOYSA-N 1 2 389.886 5.264 50 0 GKAALO Cc1cc(N2CC[NH+]([C@@H](C)c3nc4ccccc4s3)CC2)nc2ccccc12 ZINC000039982738 132392052 /nfs/dbraw/zinc/39/20/52/132392052.db2.gz XAXSIHOZPRGCRA-KRWDZBQOSA-N 1 2 388.540 5.036 50 0 GKAALO O=C(c1c[nH+]c2ccccc2c1N1CC=C(c2ccccc2)CC1)N1CCCCC1 ZINC000072328374 136168175 /nfs/dbraw/zinc/16/81/75/136168175.db2.gz SJYRIWJJTCKKEF-UHFFFAOYSA-N 1 2 397.522 5.155 50 0 GKAALO CC1CC[NH+](c2ccc(Nc3ncnc4ccc(Br)cc43)cc2)CC1 ZINC000001778620 136193249 /nfs/dbraw/zinc/19/32/49/136193249.db2.gz PYGJMFHRPPVEAX-UHFFFAOYSA-N 1 2 397.320 5.372 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(Nc3cc(C)ccc3C)c12 ZINC000032960523 221757751 /nfs/dbraw/zinc/75/77/51/221757751.db2.gz YZODHVSNIONRTQ-UHFFFAOYSA-N 1 2 376.891 6.051 50 0 GKAALO c1ccc(C[N@@H+]2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)cc1 ZINC000057440229 222033943 /nfs/dbraw/zinc/03/39/43/222033943.db2.gz MJZZWZKKZZPBPL-SANMLTNESA-N 1 2 384.567 6.582 50 0 GKAALO c1ccc(C[N@H+]2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)cc1 ZINC000057440229 222033945 /nfs/dbraw/zinc/03/39/45/222033945.db2.gz MJZZWZKKZZPBPL-SANMLTNESA-N 1 2 384.567 6.582 50 0 GKAALO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccc(C)o2)cc1Cl ZINC000057744330 222035991 /nfs/dbraw/zinc/03/59/91/222035991.db2.gz DEHCRJJMWHNCPG-NRFANRHFSA-N 1 2 398.890 5.062 50 0 GKAALO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccc(C)o2)cc1Cl ZINC000057744330 222035995 /nfs/dbraw/zinc/03/59/95/222035995.db2.gz DEHCRJJMWHNCPG-NRFANRHFSA-N 1 2 398.890 5.062 50 0 GKAALO Cc1ccc(Cl)cc1Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccccc21 ZINC000064471767 222072026 /nfs/dbraw/zinc/07/20/26/222072026.db2.gz JXQJACVLTIYQFF-UHFFFAOYSA-N 1 2 397.931 5.129 50 0 GKAALO Cc1cc(C)c(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)c(C)c1 ZINC000064471860 222072940 /nfs/dbraw/zinc/07/29/40/222072940.db2.gz ZBVSIWOPTLVPJC-UHFFFAOYSA-N 1 2 391.540 5.093 50 0 GKAALO O[C@@H](COc1ccc(Cl)cc1)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000082086476 222308091 /nfs/dbraw/zinc/30/80/91/222308091.db2.gz XWVMWAYNGNFBFN-GOSISDBHSA-N 1 2 384.907 5.177 50 0 GKAALO C[C@@H]1C[C@H](N2C[N@@H+]([C@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000105276964 533904429 /nfs/dbraw/zinc/90/44/29/533904429.db2.gz ODNFMXWLLCNLGE-BDXSIMOUSA-N 1 2 382.683 5.967 50 0 GKAALO C[C@@H]1C[C@H](N2C[N@H+]([C@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000105276964 533904445 /nfs/dbraw/zinc/90/44/45/533904445.db2.gz ODNFMXWLLCNLGE-BDXSIMOUSA-N 1 2 382.683 5.967 50 0 GKAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000012420656 560212048 /nfs/dbraw/zinc/21/20/48/560212048.db2.gz MAPYRMBCXVPHDO-RUZDIDTESA-N 1 2 386.470 5.463 50 0 biogenic,in-vitro GKAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000012420656 560212050 /nfs/dbraw/zinc/21/20/50/560212050.db2.gz MAPYRMBCXVPHDO-RUZDIDTESA-N 1 2 386.470 5.463 50 0 biogenic,in-vitro GKAALO Cc1ccc(C[C@@H](c2[nH]c3ccccc3[nH+]2)[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000000662797 570215005 /nfs/dbraw/zinc/21/50/05/570215005.db2.gz WQKUPEGKMDLING-PKOBYXMFSA-N 1 2 380.495 5.878 50 0 GKAALO Cc1ccc(C[C@H](c2[nH]c3ccccc3[nH+]2)[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000000662792 570215128 /nfs/dbraw/zinc/21/51/28/570215128.db2.gz WQKUPEGKMDLING-MJGOQNOKSA-N 1 2 380.495 5.878 50 0 GKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000019953332 570233162 /nfs/dbraw/zinc/23/31/62/570233162.db2.gz MWFNCJIWRAHJSF-MRXNPFEDSA-N 1 2 393.434 5.462 50 0 GKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000019953332 570233165 /nfs/dbraw/zinc/23/31/65/570233165.db2.gz MWFNCJIWRAHJSF-MRXNPFEDSA-N 1 2 393.434 5.462 50 0 GKAALO CCCCC[N@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@@H](C)CCC ZINC000048343149 570239988 /nfs/dbraw/zinc/23/99/88/570239988.db2.gz SHKDDBKEZKZTDU-HNNXBMFYSA-N 1 2 392.544 5.110 50 0 GKAALO CCCCC[N@@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@@H](C)CCC ZINC000048343149 570239991 /nfs/dbraw/zinc/23/99/91/570239991.db2.gz SHKDDBKEZKZTDU-HNNXBMFYSA-N 1 2 392.544 5.110 50 0 GKAALO CCCCC[N@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@H](C)CCC ZINC000048343151 570240016 /nfs/dbraw/zinc/24/00/16/570240016.db2.gz SHKDDBKEZKZTDU-OAHLLOKOSA-N 1 2 392.544 5.110 50 0 GKAALO CCCCC[N@@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@H](C)CCC ZINC000048343151 570240019 /nfs/dbraw/zinc/24/00/19/570240019.db2.gz SHKDDBKEZKZTDU-OAHLLOKOSA-N 1 2 392.544 5.110 50 0 GKAALO Cc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000001069394 570240271 /nfs/dbraw/zinc/24/02/71/570240271.db2.gz SECUFNWDCKMYIF-HSZRJFAPSA-N 1 2 394.478 5.272 50 0 GKAALO COc1ccc([C@H]([NH2+]Cc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000020133013 570241523 /nfs/dbraw/zinc/24/15/23/570241523.db2.gz NVAZWNPSBBFNAO-OAQYLSRUSA-N 1 2 391.448 5.527 50 0 GKAALO COc1ccc(C[C@@H](c2[nH]c3ccccc3[nH+]2)[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000001205652 570257822 /nfs/dbraw/zinc/25/78/22/570257822.db2.gz CYYBFUSTFOYCEL-QFBILLFUSA-N 1 2 396.494 5.578 50 0 GKAALO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@H](C)c2cc3ccccc3o2)c2ccccc2)c1 ZINC000012859838 570267849 /nfs/dbraw/zinc/26/78/49/570267849.db2.gz NDELJZSXFOPTFI-CLOONOSVSA-N 1 2 398.506 6.080 50 0 GKAALO C[NH+](C)C(C)(C)c1nnnn1[C@H](/C=C/c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000000754542 570315262 /nfs/dbraw/zinc/31/52/62/570315262.db2.gz KDNZZDWBTGESGU-PXUDHTSWSA-N 1 2 396.366 5.077 50 0 GKAALO CCCc1ccc(C(=O)N2CCC(n3c(C)[nH+]c4ccc(C)cc43)CC2)cc1 ZINC000034915296 570344347 /nfs/dbraw/zinc/34/43/47/570344347.db2.gz XYHQSVBVEAFAGT-UHFFFAOYSA-N 1 2 375.516 5.083 50 0 GKAALO CCCCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(CCCC)cc1 ZINC000004865182 570351247 /nfs/dbraw/zinc/35/12/47/570351247.db2.gz JVRFABWEVIINBQ-UHFFFAOYSA-N 1 2 377.532 5.750 50 0 GKAALO Cc1ccc2[nH+]c(/C(Cl)=C\c3ccccc3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000004873048 570352617 /nfs/dbraw/zinc/35/26/17/570352617.db2.gz FQZVBJCJQONDIN-CPNJWEJPSA-N 1 2 394.305 6.777 50 0 GKAALO S=c1n(C[N@@H+]2CCC[C@H]2c2cccs2)nc(-c2cccs2)n1C1CC1 ZINC000008114220 570360473 /nfs/dbraw/zinc/36/04/73/570360473.db2.gz HTUMWFCJRBPRNC-AWEZNQCLSA-N 1 2 388.587 5.334 50 0 GKAALO S=c1n(C[N@H+]2CCC[C@H]2c2cccs2)nc(-c2cccs2)n1C1CC1 ZINC000008114220 570360474 /nfs/dbraw/zinc/36/04/74/570360474.db2.gz HTUMWFCJRBPRNC-AWEZNQCLSA-N 1 2 388.587 5.334 50 0 GKAALO c1ccc(C2=NN(c3ccccc3)N(c3ccccc3)[NH+]=C2c2ccccc2)cc1 ZINC000004314944 570367459 /nfs/dbraw/zinc/36/74/59/570367459.db2.gz UPIYFLQCAZBTIB-UHFFFAOYSA-N 1 2 388.474 5.737 50 0 GKAALO c1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023955880 570375554 /nfs/dbraw/zinc/37/55/54/570375554.db2.gz RQHXXGGMKFHIEF-KRWDZBQOSA-N 1 2 376.485 5.074 50 0 GKAALO c1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023955880 570375555 /nfs/dbraw/zinc/37/55/55/570375555.db2.gz RQHXXGGMKFHIEF-KRWDZBQOSA-N 1 2 376.485 5.074 50 0 GKAALO S=c1n(C[NH+]2CCCCC2)nc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000004524406 570381646 /nfs/dbraw/zinc/38/16/46/570381646.db2.gz FLVFGHSMMUSRQG-UHFFFAOYSA-N 1 2 398.963 5.226 50 0 GKAALO COc1ccc(C(C)=O)cc1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000024527354 570385264 /nfs/dbraw/zinc/38/52/64/570385264.db2.gz SICKOOQTLUTRNR-NRFANRHFSA-N 1 2 383.538 5.169 50 0 GKAALO COc1ccc(C(C)=O)cc1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000024527354 570385267 /nfs/dbraw/zinc/38/52/67/570385267.db2.gz SICKOOQTLUTRNR-NRFANRHFSA-N 1 2 383.538 5.169 50 0 GKAALO Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004632167 570389066 /nfs/dbraw/zinc/38/90/66/570389066.db2.gz GYSUOACBVOLLBB-HSZRJFAPSA-N 1 2 394.478 5.272 50 0 GKAALO Cc1cccn2cc(-c3cccc(NC(=O)Nc4cccc(Cl)c4)c3)[nH+]c12 ZINC000004649856 570389376 /nfs/dbraw/zinc/38/93/76/570389376.db2.gz AGIDVXYTZCZOGP-UHFFFAOYSA-N 1 2 376.847 5.607 50 0 GKAALO COc1ccc(-c2nc(C[N@@H+]3CCc4sccc4[C@H]3C)cs2)c(OC)c1 ZINC000024843680 570396443 /nfs/dbraw/zinc/39/64/43/570396443.db2.gz YFQTUMHHJPPWLB-CYBMUJFWSA-N 1 2 386.542 5.008 50 0 GKAALO COc1ccc(-c2nc(C[N@H+]3CCc4sccc4[C@H]3C)cs2)c(OC)c1 ZINC000024843680 570396447 /nfs/dbraw/zinc/39/64/47/570396447.db2.gz YFQTUMHHJPPWLB-CYBMUJFWSA-N 1 2 386.542 5.008 50 0 GKAALO Cc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c(C)c1 ZINC000032953778 570398981 /nfs/dbraw/zinc/39/89/81/570398981.db2.gz GOKPAJYIYNUQAM-UHFFFAOYSA-N 1 2 388.515 5.794 50 0 GKAALO CCOc1ccc(C(=O)Nc2ccc3[nH+]c(N(CC)CC)cc(C)c3c2)cc1 ZINC000004757343 570403680 /nfs/dbraw/zinc/40/36/80/570403680.db2.gz OOTBKIPXBXUQMF-UHFFFAOYSA-N 1 2 377.488 5.040 50 0 GKAALO CCN(CC)c1cc(C)c2cc(NC(=O)Cc3c(F)cccc3Cl)ccc2[nH+]1 ZINC000004757338 570403685 /nfs/dbraw/zinc/40/36/85/570403685.db2.gz IJBUUAMJJJYACI-UHFFFAOYSA-N 1 2 399.897 5.363 50 0 GKAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2[nH+]1 ZINC000004757314 570403766 /nfs/dbraw/zinc/40/37/66/570403766.db2.gz CMEOVYCSUINHPJ-UHFFFAOYSA-N 1 2 389.543 5.939 50 0 GKAALO CCOc1ccc(Nc2c(-c3ccc(O)c(OC)c3)[nH+]c3cc(C)ccn32)cc1 ZINC000035622065 570403918 /nfs/dbraw/zinc/40/39/18/570403918.db2.gz HWCPMIQXXQUTHW-UHFFFAOYSA-N 1 2 389.455 5.166 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3c(F)cccc3F)cc12 ZINC000004757614 570404063 /nfs/dbraw/zinc/40/40/63/570404063.db2.gz BQSFBLIJGULCQT-UHFFFAOYSA-N 1 2 395.453 5.310 50 0 GKAALO Clc1ccc2[nH+]c(-c3ccccc3)c(Nc3ccc(Br)cc3)n2c1 ZINC000035622672 570404175 /nfs/dbraw/zinc/40/41/75/570404175.db2.gz FJQHJQRGUCQNHH-UHFFFAOYSA-N 1 2 398.691 6.161 50 0 GKAALO Cc1[nH+]cc(NC(=O)c2ccccc2Cl)n1-c1nc(-c2ccccc2)cs1 ZINC000035682926 570413621 /nfs/dbraw/zinc/41/36/21/570413621.db2.gz SBTQCPACQYWJDY-UHFFFAOYSA-N 1 2 394.887 5.210 50 0 GKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Nc3ccccc3Cl)cc12 ZINC000032953727 570433745 /nfs/dbraw/zinc/43/37/45/570433745.db2.gz NQACUQOXHANXOG-UHFFFAOYSA-N 1 2 394.906 5.831 50 0 GKAALO Cc1ccc(CNC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1 ZINC000032953800 570433870 /nfs/dbraw/zinc/43/38/70/570433870.db2.gz ISZKLMIRDCGLMN-UHFFFAOYSA-N 1 2 388.515 5.164 50 0 GKAALO Cc1ccc(C)c(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c1 ZINC000032953741 570433874 /nfs/dbraw/zinc/43/38/74/570433874.db2.gz AHZVZGRFKXQCKR-UHFFFAOYSA-N 1 2 388.515 5.794 50 0 GKAALO CCN(CC)c1cc(C)c2cc(NC(=O)Nc3ccccc3Cl)ccc2[nH+]1 ZINC000032953943 570434460 /nfs/dbraw/zinc/43/44/60/570434460.db2.gz LRNFYXJYDROVCU-UHFFFAOYSA-N 1 2 382.895 5.687 50 0 GKAALO CCC[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000005509193 570443414 /nfs/dbraw/zinc/44/34/14/570443414.db2.gz LEZGVYQYVCUQBH-UOWJPWOOSA-N 1 2 376.327 6.001 50 0 GKAALO CC1=C(C)[C@@]2(C)c3c(c(C)c4c(c3C)[C@@]3(C)C(C)=C(C)[C@]4(C)[N@H+]3C)[C@]1(C)N2C ZINC000005678706 570451119 /nfs/dbraw/zinc/45/11/19/570451119.db2.gz DLKWAUOLKXUZTD-FATVKVNYSA-N 1 2 376.588 5.755 50 0 GKAALO CC1=C(C)[C@@]2(C)c3c(c(C)c4c(c3C)[C@@]3(C)C(C)=C(C)[C@]4(C)[N@@H+]3C)[C@]1(C)N2C ZINC000005678706 570451122 /nfs/dbraw/zinc/45/11/22/570451122.db2.gz DLKWAUOLKXUZTD-FATVKVNYSA-N 1 2 376.588 5.755 50 0 GKAALO O=C(Nc1ccccc1F)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000028268584 570453813 /nfs/dbraw/zinc/45/38/13/570453813.db2.gz ISIAIPDJYMGEIR-UHFFFAOYSA-N 1 2 377.444 5.018 50 0 GKAALO CCCOc1ccc2ccccc2c1C[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000028721006 570463711 /nfs/dbraw/zinc/46/37/11/570463711.db2.gz MWAXWKFYRJFQIV-UHFFFAOYSA-N 1 2 387.483 5.311 50 0 GKAALO CCCOc1ccc2ccccc2c1C[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000028721006 570463714 /nfs/dbraw/zinc/46/37/14/570463714.db2.gz MWAXWKFYRJFQIV-UHFFFAOYSA-N 1 2 387.483 5.311 50 0 GKAALO CCn1c(=S)n(C[N@H+](CCc2ccccc2)Cc2cccs2)nc1C1CC1 ZINC000072293262 570496212 /nfs/dbraw/zinc/49/62/12/570496212.db2.gz SBHKFKXVVMEIIE-UHFFFAOYSA-N 1 2 398.601 5.075 50 0 GKAALO CCn1c(=S)n(C[N@@H+](CCc2ccccc2)Cc2cccs2)nc1C1CC1 ZINC000072293262 570496215 /nfs/dbraw/zinc/49/62/15/570496215.db2.gz SBHKFKXVVMEIIE-UHFFFAOYSA-N 1 2 398.601 5.075 50 0 GKAALO Clc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002714097 570509216 /nfs/dbraw/zinc/50/92/16/570509216.db2.gz BDICENKRUTVDQZ-UHFFFAOYSA-N 1 2 396.881 6.485 50 0 GKAALO C[C@@H](Sc1ccc(Cl)cc1)[C@H](Nc1cccc[nH+]1)n1nnc2ccccc21 ZINC000002818005 570519342 /nfs/dbraw/zinc/51/93/42/570519342.db2.gz NVLUTUJGFBVEMF-JLTOFOAXSA-N 1 2 395.919 5.271 50 0 GKAALO CC(=O)c1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1 ZINC000032960479 570528989 /nfs/dbraw/zinc/52/89/89/570528989.db2.gz JQDMKWKYFYMQMP-UHFFFAOYSA-N 1 2 392.409 5.262 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(NCc3ccc(F)cc3)c12 ZINC000032960528 570529072 /nfs/dbraw/zinc/52/90/72/570529072.db2.gz NMAVCNRXPCEFCJ-UHFFFAOYSA-N 1 2 380.854 5.442 50 0 GKAALO CC[C@H](C(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccccc1 ZINC000032960633 570530753 /nfs/dbraw/zinc/53/07/53/570530753.db2.gz CPYANOZQQDONOZ-NRFANRHFSA-N 1 2 383.495 5.480 50 0 GKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000032960752 570530783 /nfs/dbraw/zinc/53/07/83/570530783.db2.gz YYBQYDZOAUBAMS-UHFFFAOYSA-N 1 2 387.458 5.233 50 0 GKAALO Cc1ccc(C(=O)N(Cc2[nH+]ccn2Cc2cccc(Cl)c2)CC(C)C)cc1 ZINC000006689540 570532805 /nfs/dbraw/zinc/53/28/05/570532805.db2.gz RQGNFIKXTNXYFB-UHFFFAOYSA-N 1 2 395.934 5.192 50 0 GKAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)CC(C)C ZINC000006689831 570533105 /nfs/dbraw/zinc/53/31/05/570533105.db2.gz KGWRNEUGWYCWTK-UHFFFAOYSA-N 1 2 396.362 5.269 50 0 GKAALO Cc1ccccc1Cn1cc[nH+]c1CN(C(=O)c1cccs1)C1CCCCC1 ZINC000006689783 570533176 /nfs/dbraw/zinc/53/31/76/570533176.db2.gz CRYVDYBOTXMQNQ-UHFFFAOYSA-N 1 2 393.556 5.276 50 0 GKAALO O=C(C1CCC1)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C1CCCCC1 ZINC000006689894 570533318 /nfs/dbraw/zinc/53/33/18/570533318.db2.gz BKMDAERDYPJDSV-UHFFFAOYSA-N 1 2 385.939 5.046 50 0 GKAALO Clc1ccc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)c(Cl)c1 ZINC000005296115 570549524 /nfs/dbraw/zinc/54/95/24/570549524.db2.gz PJTMHNZKNWIKNP-UHFFFAOYSA-N 1 2 387.295 5.415 50 0 GKAALO Cc1cc(C)c(Cn2cc[nH+]c2CN(C(=O)c2cccc(F)c2)C(C)C)c(C)c1 ZINC000006723815 570552082 /nfs/dbraw/zinc/55/20/82/570552082.db2.gz WJRCQNPLWDZFLK-UHFFFAOYSA-N 1 2 393.506 5.047 50 0 GKAALO CCOc1ccc(Nc2c(-c3ccc(O)c(OC)c3)[nH+]c3ccc(C)cn32)cc1 ZINC000035616474 570556321 /nfs/dbraw/zinc/55/63/21/570556321.db2.gz OISXCQLJXNJDHV-UHFFFAOYSA-N 1 2 389.455 5.166 50 0 GKAALO Cc1ccc(C[NH2+][C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000009683260 570560823 /nfs/dbraw/zinc/56/08/23/570560823.db2.gz BZDDXKGAOYDWFX-NRFANRHFSA-N 1 2 389.886 5.578 50 0 GKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547020 570580876 /nfs/dbraw/zinc/58/08/76/570580876.db2.gz RAVHPHZOSUBGAD-SFHVURJKSA-N 1 2 395.509 5.560 50 0 GKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547022 570580963 /nfs/dbraw/zinc/58/09/63/570580963.db2.gz RAVHPHZOSUBGAD-GOSISDBHSA-N 1 2 395.509 5.560 50 0 GKAALO Cc1ccc(-n2cc(C[N@@H+](C)[C@@H](C)c3ccon3)c(-c3cccc(C)c3)n2)cc1 ZINC000011817829 570584985 /nfs/dbraw/zinc/58/49/85/570584985.db2.gz CVZLOEGCIQPHNP-IBGZPJMESA-N 1 2 386.499 5.337 50 0 GKAALO Cc1ccc(-n2cc(C[N@H+](C)[C@@H](C)c3ccon3)c(-c3cccc(C)c3)n2)cc1 ZINC000011817829 570584986 /nfs/dbraw/zinc/58/49/86/570584986.db2.gz CVZLOEGCIQPHNP-IBGZPJMESA-N 1 2 386.499 5.337 50 0 GKAALO Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005459527 570599807 /nfs/dbraw/zinc/59/98/07/570599807.db2.gz FLFBSZMXLQJZPL-CTNGQTDRSA-N 1 2 394.305 6.489 50 0 GKAALO Fc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005458582 570599889 /nfs/dbraw/zinc/59/98/89/570599889.db2.gz YPAWHTPBKLRGCO-CTNGQTDRSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000005460136 570600387 /nfs/dbraw/zinc/60/03/87/570600387.db2.gz JNGXLRWALCBKEI-PZJWPPBQSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005459661 570600392 /nfs/dbraw/zinc/60/03/92/570600392.db2.gz VDJRGESRUDDJTJ-TZIWHRDSSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000005460131 570600424 /nfs/dbraw/zinc/60/04/24/570600424.db2.gz JNGXLRWALCBKEI-FPOVZHCZSA-N 1 2 377.850 5.975 50 0 GKAALO COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000005458297 570601949 /nfs/dbraw/zinc/60/19/49/570601949.db2.gz VMFJGHWHHQTYJC-FPOVZHCZSA-N 1 2 389.886 5.845 50 0 GKAALO Fc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005461504 570602053 /nfs/dbraw/zinc/60/20/53/570602053.db2.gz UNSCZQCOQKUDFV-CTNGQTDRSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005461511 570602130 /nfs/dbraw/zinc/60/21/30/570602130.db2.gz UNSCZQCOQKUDFV-TZIWHRDSSA-N 1 2 377.850 5.975 50 0 GKAALO Clc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c(Cl)c1 ZINC000005460674 570603753 /nfs/dbraw/zinc/60/37/53/570603753.db2.gz LGGACSMJQBHJJC-PZJWPPBQSA-N 1 2 394.305 6.489 50 0 GKAALO Clc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1Cl ZINC000005460769 570604389 /nfs/dbraw/zinc/60/43/89/570604389.db2.gz CISVVJYBEHISQM-QUCCMNQESA-N 1 2 394.305 6.489 50 0 GKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2c(F)cccc2Cl)cc1 ZINC000005478414 570608595 /nfs/dbraw/zinc/60/85/95/570608595.db2.gz UVPBUTWYBBKSRK-UHFFFAOYSA-N 1 2 384.867 5.209 50 0 GKAALO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000036347474 570628448 /nfs/dbraw/zinc/62/84/48/570628448.db2.gz BYZSNNUYUUTXNF-OAQYLSRUSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000036347474 570628450 /nfs/dbraw/zinc/62/84/50/570628450.db2.gz BYZSNNUYUUTXNF-OAQYLSRUSA-N 1 2 389.301 5.929 50 0 GKAALO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)c(OC)c1 ZINC000036347532 570629273 /nfs/dbraw/zinc/62/92/73/570629273.db2.gz HALNVJZOBGKJPW-QHCPKHFHSA-N 1 2 396.918 5.154 50 0 GKAALO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)c(OC)c1 ZINC000036347532 570629275 /nfs/dbraw/zinc/62/92/75/570629275.db2.gz HALNVJZOBGKJPW-QHCPKHFHSA-N 1 2 396.918 5.154 50 0 GKAALO Cc1cccc2[nH+]c(-c3c[nH]c4ccccc43)c(Nc3ccc4c(c3)OCO4)n21 ZINC000004597538 570629451 /nfs/dbraw/zinc/62/94/51/570629451.db2.gz SGXJXQJHRXNNHR-UHFFFAOYSA-N 1 2 382.423 5.263 50 0 GKAALO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000036347549 570629685 /nfs/dbraw/zinc/62/96/85/570629685.db2.gz MWSYXWKWOHGTAH-NRFANRHFSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000036347549 570629687 /nfs/dbraw/zinc/62/96/87/570629687.db2.gz MWSYXWKWOHGTAH-NRFANRHFSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036347639 570629691 /nfs/dbraw/zinc/62/96/91/570629691.db2.gz UVZOKEWOZMLLAN-OAQYLSRUSA-N 1 2 388.408 5.641 50 0 GKAALO Fc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036347639 570629692 /nfs/dbraw/zinc/62/96/92/570629692.db2.gz UVZOKEWOZMLLAN-OAQYLSRUSA-N 1 2 388.408 5.641 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000033019632 570645542 /nfs/dbraw/zinc/64/55/42/570645542.db2.gz ZPRMXBZJAVLWLZ-UHFFFAOYSA-N 1 2 389.886 5.264 50 0 GKAALO CCOc1ccc(C(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)cc1 ZINC000033019842 570645822 /nfs/dbraw/zinc/64/58/22/570645822.db2.gz XBDYUBCRXVOIDJ-UHFFFAOYSA-N 1 2 399.494 5.010 50 0 GKAALO CCOc1ccccc1C(=O)Nc1ccc2c(c1)[nH+]c(CCc1ccccc1)n2C ZINC000033020546 570646337 /nfs/dbraw/zinc/64/63/37/570646337.db2.gz BSCGKKUOHYVTOC-UHFFFAOYSA-N 1 2 399.494 5.010 50 0 GKAALO Cc1ccc(C)c(-n2cc(C[N@@H+](C)[C@@H](C)c3ccon3)c(-c3ccccc3)n2)c1 ZINC000012372816 570648345 /nfs/dbraw/zinc/64/83/45/570648345.db2.gz IQWDKNARKURKBI-IBGZPJMESA-N 1 2 386.499 5.337 50 0 GKAALO Cc1ccc(C)c(-n2cc(C[N@H+](C)[C@@H](C)c3ccon3)c(-c3ccccc3)n2)c1 ZINC000012372816 570648349 /nfs/dbraw/zinc/64/83/49/570648349.db2.gz IQWDKNARKURKBI-IBGZPJMESA-N 1 2 386.499 5.337 50 0 GKAALO CCCn1c(-c2ccccc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000012523696 570675770 /nfs/dbraw/zinc/67/57/70/570675770.db2.gz VYKNGEWUTWUGCL-UHFFFAOYSA-N 1 2 377.491 6.547 50 0 GKAALO COc1ccccc1-c1nc(C[N@H+](C)Cc2ccccc2C(F)(F)F)c(C)o1 ZINC000055109270 570683329 /nfs/dbraw/zinc/68/33/29/570683329.db2.gz DFOFTIDNPRZTCP-UHFFFAOYSA-N 1 2 390.405 5.309 50 0 GKAALO COc1ccccc1-c1nc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)c(C)o1 ZINC000055109270 570683333 /nfs/dbraw/zinc/68/33/33/570683333.db2.gz DFOFTIDNPRZTCP-UHFFFAOYSA-N 1 2 390.405 5.309 50 0 GKAALO Cc1cc(Nc2cccc(Cl)c2)[nH+]c2ccc(NC(=O)c3ccccn3)cc12 ZINC000006899655 570694653 /nfs/dbraw/zinc/69/46/53/570694653.db2.gz RFTVWASDWRXFDW-UHFFFAOYSA-N 1 2 388.858 5.588 50 0 GKAALO Cc1cc(Nc2cccc(Cl)c2)[nH+]c2ccc(NC(=O)c3ccco3)cc12 ZINC000006899649 570694666 /nfs/dbraw/zinc/69/46/66/570694666.db2.gz XYOAEMLLHDYBBR-UHFFFAOYSA-N 1 2 377.831 5.786 50 0 GKAALO CCOP(=O)(OCC)[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[NH+](C)C ZINC000055439791 570695439 /nfs/dbraw/zinc/69/54/39/570695439.db2.gz BGCGCVNIFCOSJW-IBGZPJMESA-N 1 2 399.512 5.814 50 0 biogenic GKAALO OC1(c2ccc3c(c2)c2c4n3CC[N@H+](Cc3ccccc3)[C@@H]4CCC2)CCCC1 ZINC000057381105 570702237 /nfs/dbraw/zinc/70/22/37/570702237.db2.gz UTSUYWZQSWIKHP-XMMPIXPASA-N 1 2 386.539 5.296 50 0 biogenic GKAALO OC1(c2ccc3c(c2)c2c4n3CC[N@@H+](Cc3ccccc3)[C@@H]4CCC2)CCCC1 ZINC000057381105 570702241 /nfs/dbraw/zinc/70/22/41/570702241.db2.gz UTSUYWZQSWIKHP-XMMPIXPASA-N 1 2 386.539 5.296 50 0 biogenic GKAALO Cn1cc[nH+]c1[C@@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000017590154 570705972 /nfs/dbraw/zinc/70/59/72/570705972.db2.gz GODPWXAZVLKRAS-QFIPXVFZSA-N 1 2 391.478 5.232 50 0 GKAALO Cc1ccc(C[N@H+](C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)cc1 ZINC000012762836 570711083 /nfs/dbraw/zinc/71/10/83/570711083.db2.gz UCGKBEZLXWPTQI-UHFFFAOYSA-N 1 2 383.495 5.190 50 0 GKAALO Cc1ccc(C[N@@H+](C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)cc1 ZINC000012762836 570711084 /nfs/dbraw/zinc/71/10/84/570711084.db2.gz UCGKBEZLXWPTQI-UHFFFAOYSA-N 1 2 383.495 5.190 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c(C)c1 ZINC000036446801 570712121 /nfs/dbraw/zinc/71/21/21/570712121.db2.gz WWUDBJHCZXBQMI-QFIPXVFZSA-N 1 2 396.581 5.321 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c(C)c1 ZINC000036446801 570712122 /nfs/dbraw/zinc/71/21/22/570712122.db2.gz WWUDBJHCZXBQMI-QFIPXVFZSA-N 1 2 396.581 5.321 50 0 GKAALO Cc1ccccc1-c1[nH+]c2c(OCc3ccccc3)cccn2c1NC(C)(C)C ZINC000004382408 570727037 /nfs/dbraw/zinc/72/70/37/570727037.db2.gz GAQHJOFEDFYZQV-UHFFFAOYSA-N 1 2 385.511 6.099 50 0 GKAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000025174236 570739602 /nfs/dbraw/zinc/73/96/02/570739602.db2.gz ZJMYAYVVUJESTH-UHFFFAOYSA-N 1 2 377.831 5.097 50 0 GKAALO Cc1cccn2cc(-c3ccccc3NC(=O)c3cccc(C(F)(F)F)c3)[nH+]c12 ZINC000206900676 570754982 /nfs/dbraw/zinc/75/49/82/570754982.db2.gz MFXFFRDEHNAHSI-UHFFFAOYSA-N 1 2 395.384 5.581 50 0 GKAALO Cc1cccn2cc(-c3ccccc3NC(=O)c3ccc4ccccc4n3)[nH+]c12 ZINC000206900490 570755208 /nfs/dbraw/zinc/75/52/08/570755208.db2.gz ACZQYJLWZAHCKS-UHFFFAOYSA-N 1 2 378.435 5.110 50 0 GKAALO Cc1noc2ccc(-c3c(-c4ccccc4)ncn3C[C@H](C)n3cc[nH+]c3)cc12 ZINC000065403595 570766112 /nfs/dbraw/zinc/76/61/12/570766112.db2.gz ATILAKHANSHOJW-INIZCTEOSA-N 1 2 383.455 5.124 50 0 GKAALO Clc1ccc(-c2cc(C[NH2+][C@H](c3ccccc3)c3ccccn3)on2)cc1 ZINC000096794838 570785376 /nfs/dbraw/zinc/78/53/76/570785376.db2.gz FYUIGXDNRQTKOA-JOCHJYFZSA-N 1 2 375.859 5.269 50 0 GKAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c1C ZINC000032747149 570793069 /nfs/dbraw/zinc/79/30/69/570793069.db2.gz VIAAYKOTWZSICD-CMPLNLGQSA-N 1 2 381.303 5.063 50 0 GKAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c1C ZINC000032747151 570793144 /nfs/dbraw/zinc/79/31/44/570793144.db2.gz VIAAYKOTWZSICD-JQWIXIFHSA-N 1 2 381.303 5.063 50 0 GKAALO Cc1cc(C)cc(NC(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)c1 ZINC000033126359 570819177 /nfs/dbraw/zinc/81/91/77/570819177.db2.gz NSWLWKQZYUMQNJ-UHFFFAOYSA-N 1 2 398.510 5.619 50 0 GKAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2csc(COc3ccc(F)cc3)n2)cc1 ZINC000032797231 570819357 /nfs/dbraw/zinc/81/93/57/570819357.db2.gz GJPVWIPJDOBABB-OAQYLSRUSA-N 1 2 398.503 5.207 50 0 GKAALO COc1ccc([C@H]2CCC[N@H+]2Cc2csc(COc3ccc(F)cc3)n2)cc1 ZINC000032797231 570819359 /nfs/dbraw/zinc/81/93/59/570819359.db2.gz GJPVWIPJDOBABB-OAQYLSRUSA-N 1 2 398.503 5.207 50 0 GKAALO Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc(-c4ccccc4)cc3)[nH+]c21 ZINC000004678477 570824281 /nfs/dbraw/zinc/82/42/81/570824281.db2.gz LHXYIPHMOORATC-UHFFFAOYSA-N 1 2 383.882 6.327 50 0 GKAALO Cn1c(-c2ccc3c(c2)OCO3)cn2cc(-c3ccc(Cl)c(Cl)c3)[nH+]c21 ZINC000004678613 570824643 /nfs/dbraw/zinc/82/46/43/570824643.db2.gz DGKXCDXJNWLWCA-UHFFFAOYSA-N 1 2 386.238 5.042 50 0 GKAALO COc1ccc([C@@H]([NH2+]Cc2csc(-c3cccs3)n2)c2ccccc2)cc1 ZINC000014183612 570826800 /nfs/dbraw/zinc/82/68/00/570826800.db2.gz GZDLWYHZNNWAQB-NRFANRHFSA-N 1 2 392.549 5.759 50 0 GKAALO CC(=O)N(c1nc(C[NH+]2CCCCCC2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000007339502 570830932 /nfs/dbraw/zinc/83/09/32/570830932.db2.gz STDUSHPQHUHGSQ-UHFFFAOYSA-N 1 2 398.359 5.511 50 0 GKAALO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000007380960 570835534 /nfs/dbraw/zinc/83/55/34/570835534.db2.gz LIICYTQGYWHXGR-QGZVFWFLSA-N 1 2 382.813 5.134 50 0 GKAALO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000007380957 570835720 /nfs/dbraw/zinc/83/57/20/570835720.db2.gz LIICYTQGYWHXGR-KRWDZBQOSA-N 1 2 382.813 5.134 50 0 GKAALO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=[NH+]C21CCCCC1 ZINC000102659752 570855968 /nfs/dbraw/zinc/85/59/68/570855968.db2.gz UXVFRDMXANKZRA-UHFFFAOYSA-N 1 2 378.476 5.385 50 0 GKAALO CCn1c(CCc2ccc(NC(=O)Cc3ccccc3)cc2)[nH+]c2ccccc21 ZINC000033252629 570860916 /nfs/dbraw/zinc/86/09/16/570860916.db2.gz OKCOBXUVPLNMGT-UHFFFAOYSA-N 1 2 383.495 5.023 50 0 GKAALO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)c1 ZINC000103623884 570887428 /nfs/dbraw/zinc/88/74/28/570887428.db2.gz ZJRUVNMSZWCBFM-RUZDIDTESA-N 1 2 392.493 5.680 50 0 GKAALO Cc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)c1 ZINC000103623884 570887433 /nfs/dbraw/zinc/88/74/33/570887433.db2.gz ZJRUVNMSZWCBFM-RUZDIDTESA-N 1 2 392.493 5.680 50 0 GKAALO Cc1ccc([C@H]2[NH+]=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CCC3)cc1 ZINC000104139445 570895901 /nfs/dbraw/zinc/89/59/01/570895901.db2.gz WBGQOEMSRHZQDS-HXUWFJFHSA-N 1 2 388.496 5.565 50 0 GKAALO CCCC[NH+](CCCC)c1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000004455790 570898981 /nfs/dbraw/zinc/89/89/81/570898981.db2.gz BQSVRHIFUAUKFJ-OAQYLSRUSA-N 1 2 380.576 5.383 50 0 GKAALO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Nc1ccc(C)cc1Cl ZINC000089616649 570907457 /nfs/dbraw/zinc/90/74/57/570907457.db2.gz OYLIQIHHXYYFGC-MRXNPFEDSA-N 1 2 382.895 5.003 50 0 GKAALO Cc1ccc(-c2nc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)no2)cc1 ZINC000032908870 570909776 /nfs/dbraw/zinc/90/97/76/570909776.db2.gz MQKKVQYPBGZWJR-UHFFFAOYSA-N 1 2 390.512 5.034 50 0 GKAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)[nH+]1 ZINC000017013420 570924219 /nfs/dbraw/zinc/92/42/19/570924219.db2.gz YVKJTCTWSABBIL-UHFFFAOYSA-N 1 2 397.482 5.000 50 0 GKAALO Cc1[nH+]c2c(Oc3ccccc3)cccc2c2c1CCN2c1ccc(C(C)C)cc1 ZINC000004053873 570925819 /nfs/dbraw/zinc/92/58/19/570925819.db2.gz GUNJEAPVKBNUMO-UHFFFAOYSA-N 1 2 394.518 7.153 50 0 GKAALO Clc1cccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)c1 ZINC000004733593 570947708 /nfs/dbraw/zinc/94/77/08/570947708.db2.gz GFDWWYBVXNRTNW-UHFFFAOYSA-N 1 2 377.831 5.170 50 0 aggregator GKAALO Cc1cccn2c(Nc3ccccc3C)c(-c3ccc(N4CCOCC4)cc3)[nH+]c12 ZINC000004733725 570948103 /nfs/dbraw/zinc/94/81/03/570948103.db2.gz QNRCDSSDMGOIPI-UHFFFAOYSA-N 1 2 398.510 5.198 50 0 GKAALO Cc1ccc(Nc2c(-c3ccsc3)[nH+]c3ccc(Br)cn32)cc1 ZINC000004733925 570948175 /nfs/dbraw/zinc/94/81/75/570948175.db2.gz GGPXDJAETDUESH-UHFFFAOYSA-N 1 2 384.302 5.877 50 0 GKAALO Cc1ccc(Nc2c(-c3ccc(O)cc3)[nH+]c3ccc(Br)cn32)cc1 ZINC000004735134 570949071 /nfs/dbraw/zinc/94/90/71/570949071.db2.gz TUIRCMZEUJSQQQ-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO CSc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735064 570949098 /nfs/dbraw/zinc/94/90/98/570949098.db2.gz YPUYVZWLIWMGEJ-UHFFFAOYSA-N 1 2 389.480 5.504 50 0 GKAALO CSc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(Cl)cc2)cc1 ZINC000004733510 570949443 /nfs/dbraw/zinc/94/94/43/570949443.db2.gz OXSMCUAZKBOITH-UHFFFAOYSA-N 1 2 379.916 6.429 50 0 GKAALO Cc1ccccc1Nc1c(-c2ccncc2)[nH+]c2ccc(Br)cn21 ZINC000004126236 570960021 /nfs/dbraw/zinc/96/00/21/570960021.db2.gz VVXKMWZZOODTGL-UHFFFAOYSA-N 1 2 379.261 5.211 50 0 GKAALO Cc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3cccc(Cl)c3)[nH+]c12 ZINC000004794034 570993675 /nfs/dbraw/zinc/99/36/75/570993675.db2.gz HARPVOXKFUXZTA-UHFFFAOYSA-N 1 2 391.858 5.478 50 0 GKAALO CC[C@@H](C(=O)NC1CC1)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037398137 571005135 /nfs/dbraw/zinc/00/51/35/571005135.db2.gz INUPLAMLLIMDGF-FQEVSTJZSA-N 1 2 395.934 5.127 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c(C)c1 ZINC000012762883 571013402 /nfs/dbraw/zinc/01/34/02/571013402.db2.gz HJBNTBSECKSBEX-DEOSSOPVSA-N 1 2 390.552 5.260 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c(C)c1 ZINC000012762883 571013407 /nfs/dbraw/zinc/01/34/07/571013407.db2.gz HJBNTBSECKSBEX-DEOSSOPVSA-N 1 2 390.552 5.260 50 0 GKAALO FC(F)(F)c1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccsc2)c1 ZINC000037523133 571024533 /nfs/dbraw/zinc/02/45/33/571024533.db2.gz XSIYSFIHKIHRSE-LJQANCHMSA-N 1 2 376.447 5.564 50 0 GKAALO FC(F)(F)c1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccsc2)c1 ZINC000037523133 571024536 /nfs/dbraw/zinc/02/45/36/571024536.db2.gz XSIYSFIHKIHRSE-LJQANCHMSA-N 1 2 376.447 5.564 50 0 GKAALO Cc1ccc(Cl)c(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1Cl ZINC000007757042 571032131 /nfs/dbraw/zinc/03/21/31/571032131.db2.gz VQMUHPXYRZQTTM-UHFFFAOYSA-N 1 2 381.278 5.044 50 0 GKAALO Cc1ccc(Cl)c(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1Cl ZINC000007757042 571032133 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/nfs/dbraw/zinc/01/35/66/207013566.db2.gz JFJJNXIMYVYTMO-AWEZNQCLSA-N 1 2 392.550 5.413 50 0 GKAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1cc2ccccc2[nH]1 ZINC000015863654 207064724 /nfs/dbraw/zinc/06/47/24/207064724.db2.gz HAIHHLHKJHWVIC-UHFFFAOYSA-N 1 2 380.451 5.082 50 0 GKAALO Cc1ccc(C)c(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000015860795 207064738 /nfs/dbraw/zinc/06/47/38/207064738.db2.gz GFZADLBIHDHCEV-HXUWFJFHSA-N 1 2 378.516 5.141 50 0 GKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)[nH+]1 ZINC000017012998 207081195 /nfs/dbraw/zinc/08/11/95/207081195.db2.gz KVTMEZRKPFPFCT-UHFFFAOYSA-N 1 2 393.535 5.038 50 0 GKAALO CCn1c(CCc2ccc(NC(=O)CCc3ccccc3)cc2)[nH+]c2ccccc21 ZINC000032960769 210608745 /nfs/dbraw/zinc/60/87/45/210608745.db2.gz QOZJHUFFHUEHHJ-UHFFFAOYSA-N 1 2 397.522 5.413 50 0 GKAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1cccc(Br)c1 ZINC000019879354 207168421 /nfs/dbraw/zinc/16/84/21/207168421.db2.gz VGXNPIDAUCMBNF-NRFANRHFSA-N 1 2 392.300 5.835 50 0 GKAALO COc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cccc(O)c2)c1 ZINC000019795040 207162724 /nfs/dbraw/zinc/16/27/24/207162724.db2.gz SMFHGHUHKGJYSZ-RUZDIDTESA-N 1 2 384.479 5.030 50 0 GKAALO COc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cccc(O)c2)c1 ZINC000019795040 207162729 /nfs/dbraw/zinc/16/27/29/207162729.db2.gz SMFHGHUHKGJYSZ-RUZDIDTESA-N 1 2 384.479 5.030 50 0 GKAALO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000020452868 207193063 /nfs/dbraw/zinc/19/30/63/207193063.db2.gz ZOLKQYYEBVVPTR-HNNXBMFYSA-N 1 2 382.554 5.113 50 0 GKAALO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000020452868 207193066 /nfs/dbraw/zinc/19/30/66/207193066.db2.gz ZOLKQYYEBVVPTR-HNNXBMFYSA-N 1 2 382.554 5.113 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000021357686 207230043 /nfs/dbraw/zinc/23/00/43/207230043.db2.gz YLAXYIGNQCLCEX-UHFFFAOYSA-N 1 2 388.446 5.142 50 0 GKAALO Cc1ccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1C ZINC000021704934 207235589 /nfs/dbraw/zinc/23/55/89/207235589.db2.gz YIONYWRTSIPBAE-UHFFFAOYSA-N 1 2 398.510 5.619 50 0 GKAALO COc1ccccc1[C@H](C)[NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000023955507 207284309 /nfs/dbraw/zinc/28/43/09/207284309.db2.gz WLBYVSGCKDROEZ-BXKMTCNYSA-N 1 2 384.479 5.451 50 0 GKAALO Fc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3c4ccccc4[nH+]c3N2)cc1 ZINC000101221699 208389245 /nfs/dbraw/zinc/38/92/45/208389245.db2.gz FRISTXGCCPNUIS-FPOVZHCZSA-N 1 2 377.850 5.975 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2cccc(F)c2)cc1 ZINC000021357795 210381472 /nfs/dbraw/zinc/38/14/72/210381472.db2.gz FTSPYJCXVWBRJX-UHFFFAOYSA-N 1 2 388.446 5.142 50 0 GKAALO Clc1ccc(/C=C\C2=[NH+]c3ccccc3N[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020813029 210362244 /nfs/dbraw/zinc/36/22/44/210362244.db2.gz RZJGDKDDWWZMGQ-XXCGLNCOSA-N 1 2 393.317 7.336 50 0 GKAALO CCc1ccc(C[N@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)nc1 ZINC000020780433 210361017 /nfs/dbraw/zinc/36/10/17/210361017.db2.gz BSJGRFSBBHAABL-UHFFFAOYSA-N 1 2 389.421 5.258 50 0 GKAALO CCc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)nc1 ZINC000020780433 210361022 /nfs/dbraw/zinc/36/10/22/210361022.db2.gz BSJGRFSBBHAABL-UHFFFAOYSA-N 1 2 389.421 5.258 50 0 GKAALO CCCCOP(=O)(OCCCC)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000019781608 210296327 /nfs/dbraw/zinc/29/63/27/210296327.db2.gz WOQSNAYZFTXHFP-JOCHJYFZSA-N 1 2 389.476 6.302 50 0 GKAALO C[C@@H]1CCC[C@@H](C)[NH+]1Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000005660315 208674932 /nfs/dbraw/zinc/67/49/32/208674932.db2.gz TUYKJMLVUBXSOK-QZTJIDSGSA-N 1 2 378.545 5.291 50 0 GKAALO Fc1ccc(-c2cn3c4ccccc4n(Cc4ccc(Cl)cc4)c3[nH+]2)cc1 ZINC000005454368 220872952 /nfs/dbraw/zinc/87/29/52/220872952.db2.gz XUZOPYNEPBKVRK-UHFFFAOYSA-N 1 2 375.834 5.797 50 0 GKAALO c1csc(-c2cc(C[N@@H+]3CCCC[C@H]3c3nc4ccccc4s3)no2)c1 ZINC000008005193 221023263 /nfs/dbraw/zinc/02/32/63/221023263.db2.gz XEZRTPHGNNVKEZ-INIZCTEOSA-N 1 2 381.526 5.740 50 0 GKAALO c1csc(-c2cc(C[N@H+]3CCCC[C@H]3c3nc4ccccc4s3)no2)c1 ZINC000008005193 221023267 /nfs/dbraw/zinc/02/32/67/221023267.db2.gz XEZRTPHGNNVKEZ-INIZCTEOSA-N 1 2 381.526 5.740 50 0 GKAALO CCc1sc(-c2nnc(C[NH2+]C(c3ccccc3)c3ccccc3)o2)cc1C ZINC000008131860 221027313 /nfs/dbraw/zinc/02/73/13/221027313.db2.gz YAMXWPWFTGIBQU-UHFFFAOYSA-N 1 2 389.524 5.548 50 0 GKAALO Cc1csc([C@H](C)[N@H+](C)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)n1 ZINC000012433416 221193828 /nfs/dbraw/zinc/19/38/28/221193828.db2.gz KWQSMZPITYUKES-KRWDZBQOSA-N 1 2 388.540 5.702 50 0 GKAALO Cc1csc([C@H](C)[N@@H+](C)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)n1 ZINC000012433416 221193832 /nfs/dbraw/zinc/19/38/32/221193832.db2.gz KWQSMZPITYUKES-KRWDZBQOSA-N 1 2 388.540 5.702 50 0 GKAALO FC(F)(F)c1cnc(N2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)c(Cl)c1 ZINC000012525731 221201340 /nfs/dbraw/zinc/20/13/40/221201340.db2.gz WPUVPMTTXOXWGD-NSHDSACASA-N 1 2 380.801 5.014 50 0 GKAALO CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3nccs3)c(C)o2)cc1 ZINC000012385625 221187538 /nfs/dbraw/zinc/18/75/38/221187538.db2.gz GYLGIHHWJKGKGS-IBGZPJMESA-N 1 2 383.517 5.232 50 0 GKAALO CCOc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3nccs3)c(C)o2)cc1 ZINC000012385625 221187540 /nfs/dbraw/zinc/18/75/40/221187540.db2.gz GYLGIHHWJKGKGS-IBGZPJMESA-N 1 2 383.517 5.232 50 0 GKAALO COc1ccccc1Oc1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC000012750598 221224780 /nfs/dbraw/zinc/22/47/80/221224780.db2.gz ORFVKBWTANAOAT-UHFFFAOYSA-N 1 2 383.517 5.095 50 0 GKAALO C[N@H+](Cn1nc(C2CC2)n(C2CC2)c1=S)C(c1ccccc1)c1ccccc1 ZINC000012809102 221234989 /nfs/dbraw/zinc/23/49/89/221234989.db2.gz KBMDCUOMZDORJX-UHFFFAOYSA-N 1 2 390.556 5.305 50 0 GKAALO C[N@@H+](Cn1nc(C2CC2)n(C2CC2)c1=S)C(c1ccccc1)c1ccccc1 ZINC000012809102 221234992 /nfs/dbraw/zinc/23/49/92/221234992.db2.gz KBMDCUOMZDORJX-UHFFFAOYSA-N 1 2 390.556 5.305 50 0 GKAALO Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@@H](C)c2cc3ccccc3o2)c2ccccc2)c1 ZINC000012859832 221239577 /nfs/dbraw/zinc/23/95/77/221239577.db2.gz NDELJZSXFOPTFI-UQBPGWFLSA-N 1 2 398.506 6.080 50 0 GKAALO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000015079511 221332665 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Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccccc2C(F)(F)F)[C@H]3CCC1 ZINC000055447667 222022000 /nfs/dbraw/zinc/02/20/00/222022000.db2.gz CUKXSKHIDWFMDP-QFIPXVFZSA-N 1 2 398.472 6.252 50 0 GKAALO CCCOc1cc(Cl)c(C[NH2+][C@@H](C)c2nc3ccccc3[nH]2)cc1OCC ZINC000055402486 222022927 /nfs/dbraw/zinc/02/29/27/222022927.db2.gz RHKYQGOLSBRNRJ-AWEZNQCLSA-N 1 2 387.911 5.255 50 0 GKAALO FC(F)(F)c1ccc(N2CCCC2)c(NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000063461422 222067729 /nfs/dbraw/zinc/06/77/29/222067729.db2.gz SPUGGMWZLXAPGG-UHFFFAOYSA-N 1 2 394.828 5.219 50 0 GKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(Cl)cc1)N1CCCCC1 ZINC000067288476 222143500 /nfs/dbraw/zinc/14/35/00/222143500.db2.gz JBPZKCPZZOYMLU-UHFFFAOYSA-N 1 2 397.881 5.266 50 0 GKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1N[C@@H](C)c1ccccc1 ZINC000072328541 222228453 /nfs/dbraw/zinc/22/84/53/222228453.db2.gz LPQHTKCVKDUYHI-HNNXBMFYSA-N 1 2 381.907 5.543 50 0 GKAALO CCn1c(C2CC2)nn(C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000095947333 222362673 /nfs/dbraw/zinc/36/26/73/222362673.db2.gz BGIKFIKREVHLRV-HXUWFJFHSA-N 1 2 396.535 5.129 50 0 GKAALO CCn1c(C2CC2)nn(C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000095947333 222362676 /nfs/dbraw/zinc/36/26/76/222362676.db2.gz BGIKFIKREVHLRV-HXUWFJFHSA-N 1 2 396.535 5.129 50 0 GKAALO Cc1cnc([C@@H](C)Nc2nc(N[C@H](C)c3ncc(C)s3)c(Cl)c[nH+]2)s1 ZINC000170673591 222561120 /nfs/dbraw/zinc/56/11/20/222561120.db2.gz ZMZSGLLOBLNYTN-GHMZBOCLSA-N 1 2 394.957 5.006 50 0 GKAALO O=C(CCC1CCCC1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000022624781 570210332 /nfs/dbraw/zinc/21/03/32/570210332.db2.gz GAUZDUCFYCHGKF-VWLOTQADSA-N 1 2 394.534 5.030 50 0 GKAALO Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)=C1C[NH+]1CCOCC1 ZINC000019720873 570211502 /nfs/dbraw/zinc/21/15/02/570211502.db2.gz VMBFBNLJKLPKBG-SANMLTNESA-N 1 2 397.518 5.263 50 0 GKAALO Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)=C1C[NH+]1CCOCC1 ZINC000019720874 570211513 /nfs/dbraw/zinc/21/15/13/570211513.db2.gz VMBFBNLJKLPKBG-AREMUKBSSA-N 1 2 397.518 5.263 50 0 GKAALO COc1cccc(C[C@@H](Cc2[nH]c3ccccc3[nH+]2)c2nc3ccccc3[nH]2)c1 ZINC000000852957 570226928 /nfs/dbraw/zinc/22/69/28/570226928.db2.gz OTPWVDXGWFKWTA-KRWDZBQOSA-N 1 2 382.467 5.017 50 0 GKAALO CC[NH+](CC)c1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000000948689 570231070 /nfs/dbraw/zinc/23/10/70/570231070.db2.gz JBQNVWGNJFLHCJ-UHFFFAOYSA-N 1 2 383.517 5.417 50 0 GKAALO C[C@@H]1C[C@@H](N2C[N@@H+]([C@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000016997844 570271042 /nfs/dbraw/zinc/27/10/42/570271042.db2.gz ODNFMXWLLCNLGE-ZJPYXAASSA-N 1 2 382.683 5.967 50 0 GKAALO C[C@@H]1C[C@@H](N2C[N@H+]([C@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000016997844 570271044 /nfs/dbraw/zinc/27/10/44/570271044.db2.gz ODNFMXWLLCNLGE-ZJPYXAASSA-N 1 2 382.683 5.967 50 0 GKAALO C[C@H]1C[C@@H](N2C[N@@H+]([C@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000036378954 570271084 /nfs/dbraw/zinc/27/10/84/570271084.db2.gz ODNFMXWLLCNLGE-VSZNYVQBSA-N 1 2 382.683 5.967 50 0 GKAALO C[C@H]1C[C@@H](N2C[N@H+]([C@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000036378954 570271086 /nfs/dbraw/zinc/27/10/86/570271086.db2.gz ODNFMXWLLCNLGE-VSZNYVQBSA-N 1 2 382.683 5.967 50 0 GKAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)CCC4CCCC4)c3)[nH+]c2c1 ZINC000015863573 570279521 /nfs/dbraw/zinc/27/95/21/570279521.db2.gz LUEBUGHYVKMPBO-UHFFFAOYSA-N 1 2 375.516 5.565 50 0 GKAALO Cc1ccc2[nH+]c(CCc3cccc(NC(=O)CCC4CCCC4)c3)[nH]c2c1 ZINC000015863573 570279524 /nfs/dbraw/zinc/27/95/24/570279524.db2.gz LUEBUGHYVKMPBO-UHFFFAOYSA-N 1 2 375.516 5.565 50 0 GKAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)c1 ZINC000020992730 570286425 /nfs/dbraw/zinc/28/64/25/570286425.db2.gz MDPUOPODOUVKFU-GOSISDBHSA-N 1 2 386.561 5.149 50 0 GKAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)c1 ZINC000020992730 570286428 /nfs/dbraw/zinc/28/64/28/570286428.db2.gz MDPUOPODOUVKFU-GOSISDBHSA-N 1 2 386.561 5.149 50 0 GKAALO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012918038 570293374 /nfs/dbraw/zinc/29/33/74/570293374.db2.gz AMYCGADOGKMWGQ-IBGZPJMESA-N 1 2 399.893 5.018 50 0 GKAALO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012918038 570293375 /nfs/dbraw/zinc/29/33/75/570293375.db2.gz AMYCGADOGKMWGQ-IBGZPJMESA-N 1 2 399.893 5.018 50 0 GKAALO COc1cc2[nH+]c(C)n(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1OC ZINC000000704326 570295346 /nfs/dbraw/zinc/29/53/46/570295346.db2.gz APGNKAOAQKOKIC-UHFFFAOYSA-N 1 2 396.531 5.652 50 0 GKAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928336 570298672 /nfs/dbraw/zinc/29/86/72/570298672.db2.gz OMRZDQAZNIMESF-QGZVFWFLSA-N 1 2 393.314 5.086 50 0 GKAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928336 570298674 /nfs/dbraw/zinc/29/86/74/570298674.db2.gz OMRZDQAZNIMESF-QGZVFWFLSA-N 1 2 393.314 5.086 50 0 GKAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1sccc1-c1ccccc1 ZINC000022238225 570309855 /nfs/dbraw/zinc/30/98/55/570309855.db2.gz VAVVBHMDOKYCND-UHFFFAOYSA-N 1 2 383.542 5.110 50 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/nfs/dbraw/zinc/37/53/98/570375398.db2.gz WLBYVSGCKDROEZ-MZNJEOGPSA-N 1 2 384.479 5.451 50 0 GKAALO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000023956102 570375989 /nfs/dbraw/zinc/37/59/89/570375989.db2.gz UPFCETRJPVBKGT-VWNXMTODSA-N 1 2 382.463 5.205 50 0 GKAALO COc1ccc(-c2nc(C[N@@H+]3CCc4sccc4[C@@H]3C)cs2)c(OC)c1 ZINC000024843676 570396321 /nfs/dbraw/zinc/39/63/21/570396321.db2.gz YFQTUMHHJPPWLB-ZDUSSCGKSA-N 1 2 386.542 5.008 50 0 GKAALO COc1ccc(-c2nc(C[N@H+]3CCc4sccc4[C@@H]3C)cs2)c(OC)c1 ZINC000024843676 570396323 /nfs/dbraw/zinc/39/63/23/570396323.db2.gz YFQTUMHHJPPWLB-ZDUSSCGKSA-N 1 2 386.542 5.008 50 0 GKAALO CCc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cccc(Cl)c2)cc1 ZINC000032960516 570397686 /nfs/dbraw/zinc/39/76/86/570397686.db2.gz JUPALUPMHGYFRD-UHFFFAOYSA-N 1 2 376.891 5.997 50 0 GKAALO Cc1c(C)n(-c2cc(F)cc(F)c2)c2nc[nH+]c(Nc3cc(C)cc(C)c3)c12 ZINC000032975760 570398575 /nfs/dbraw/zinc/39/85/75/570398575.db2.gz SRNAQFZRSATUJN-UHFFFAOYSA-N 1 2 378.426 5.676 50 0 GKAALO COc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1 ZINC000032953757 570398887 /nfs/dbraw/zinc/39/88/87/570398887.db2.gz SWOMTRMRIVRJDW-UHFFFAOYSA-N 1 2 390.487 5.186 50 0 GKAALO CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2)n2c3ccccc3[nH+]c2N1 ZINC000004742054 570401458 /nfs/dbraw/zinc/40/14/58/570401458.db2.gz RAUFPGBONXDTBW-JOCHJYFZSA-N 1 2 398.441 5.103 50 0 GKAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2cc(C)cc(C)c2)ccc1O ZINC000035622049 570403879 /nfs/dbraw/zinc/40/38/79/570403879.db2.gz FUUUILLRYDLQCZ-UHFFFAOYSA-N 1 2 393.874 5.729 50 0 GKAALO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025946955 570421116 /nfs/dbraw/zinc/42/11/16/570421116.db2.gz NTOBJIYXBLUDGV-HNNXBMFYSA-N 1 2 383.442 5.087 50 0 GKAALO CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000001775427 570423172 /nfs/dbraw/zinc/42/31/72/570423172.db2.gz UMXODBFICDYHEU-UHFFFAOYSA-N 1 2 389.499 5.454 50 0 GKAALO CC(C)c1ccc(C[N@H+](C)Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)cc1 ZINC000013073757 570436755 /nfs/dbraw/zinc/43/67/55/570436755.db2.gz QLPBOBAJCUNTSA-UHFFFAOYSA-N 1 2 386.952 5.474 50 0 GKAALO CC(C)c1ccc(C[N@@H+](C)Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)cc1 ZINC000013073757 570436757 /nfs/dbraw/zinc/43/67/57/570436757.db2.gz QLPBOBAJCUNTSA-UHFFFAOYSA-N 1 2 386.952 5.474 50 0 GKAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)s1)c1ccccc1 ZINC000030642898 570492980 /nfs/dbraw/zinc/49/29/80/570492980.db2.gz RRJDOYOFNAYZBY-NRFANRHFSA-N 1 2 377.488 5.167 50 0 GKAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1C ZINC000035999519 570505972 /nfs/dbraw/zinc/50/59/72/570505972.db2.gz SNWWZGCGAVDDNC-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1C ZINC000035999519 570505976 /nfs/dbraw/zinc/50/59/76/570505976.db2.gz SNWWZGCGAVDDNC-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO C[C@@H](Sc1ccc(Cl)cc1)[C@@H](Nc1cccc[nH+]1)n1nnc2ccccc21 ZINC000002818003 570519186 /nfs/dbraw/zinc/51/91/86/570519186.db2.gz NVLUTUJGFBVEMF-VLIAUNLRSA-N 1 2 395.919 5.271 50 0 GKAALO Cc1ccc(Nc2c(-c3c[nH]c4ccccc43)[nH+]c3ccc(Cl)cn32)c(C)c1 ZINC000005248951 570524871 /nfs/dbraw/zinc/52/48/71/570524871.db2.gz PZIBTUYYBGQRNG-UHFFFAOYSA-N 1 2 386.886 6.496 50 0 GKAALO Cc1ccc(-c2cn3c([nH+]c(-c4ccccc4)c3-c3ccccc3)n2CCO)cc1 ZINC000006668395 570527471 /nfs/dbraw/zinc/52/74/71/570527471.db2.gz OGAMDZCQHDDAPI-UHFFFAOYSA-N 1 2 393.490 5.438 50 0 GKAALO Clc1ccc(NC2=[NH+]C[C@H](Cc3ccc(Br)cc3)S2)cc1 ZINC000003022431 570528091 /nfs/dbraw/zinc/52/80/91/570528091.db2.gz SEHOXRPEADYCMB-HNNXBMFYSA-N 1 2 381.726 5.229 50 0 GKAALO CC(=O)c1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1 ZINC000032960449 570529308 /nfs/dbraw/zinc/52/93/08/570529308.db2.gz LMVYPHGZYBNOJD-UHFFFAOYSA-N 1 2 392.409 5.262 50 0 GKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccc(F)c(Cl)c1 ZINC000032960728 570530774 /nfs/dbraw/zinc/53/07/74/570530774.db2.gz GBAFSTKCIQGLLK-UHFFFAOYSA-N 1 2 393.849 5.393 50 0 GKAALO CC[C@@H](C(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccccc1 ZINC000032960631 570531091 /nfs/dbraw/zinc/53/10/91/570531091.db2.gz CPYANOZQQDONOZ-OAQYLSRUSA-N 1 2 383.495 5.480 50 0 GKAALO CCOc1ccccc1C(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000032960855 570531504 /nfs/dbraw/zinc/53/15/04/570531504.db2.gz TYLCSDACXNVUQW-UHFFFAOYSA-N 1 2 399.494 5.010 50 0 GKAALO CCOc1ccc(C(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1 ZINC000032960853 570531530 /nfs/dbraw/zinc/53/15/30/570531530.db2.gz KVGHKJUNTDSEQI-UHFFFAOYSA-N 1 2 399.494 5.010 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000032960808 570531538 /nfs/dbraw/zinc/53/15/38/570531538.db2.gz PRVUCVNTRDLZAS-UHFFFAOYSA-N 1 2 375.516 5.267 50 0 GKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)CCC4CCCC4)cc3)[nH+]c2c1 ZINC000032960921 570532057 /nfs/dbraw/zinc/53/20/57/570532057.db2.gz SXCXIDRUELMMAJ-UHFFFAOYSA-N 1 2 375.516 5.565 50 0 GKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)CCC4CCCC4)cc3)[nH]c2c1 ZINC000032960921 570532060 /nfs/dbraw/zinc/53/20/60/570532060.db2.gz SXCXIDRUELMMAJ-UHFFFAOYSA-N 1 2 375.516 5.565 50 0 GKAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000032961013 570532496 /nfs/dbraw/zinc/53/24/96/570532496.db2.gz KFHHFXMHOUJIDP-UHFFFAOYSA-N 1 2 389.543 5.750 50 0 GKAALO C[C@H]1CCCn2c([C@H](CC(=O)Nc3ccc(F)cc3)c3ccccc3F)c[nH+]c21 ZINC000034920117 570547685 /nfs/dbraw/zinc/54/76/85/570547685.db2.gz LALXUPSGTOTFEF-HNAYVOBHSA-N 1 2 395.453 5.219 50 0 GKAALO CC(C)CN(Cc1[nH+]ccn1Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000006723772 570552145 /nfs/dbraw/zinc/55/21/45/570552145.db2.gz CHMFKTIHJANYSG-UHFFFAOYSA-N 1 2 399.897 5.022 50 0 GKAALO C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032970958 570555312 /nfs/dbraw/zinc/55/53/12/570555312.db2.gz QQVSLBTYUXKUJR-GOSISDBHSA-N 1 2 383.451 5.156 50 0 GKAALO C[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032970959 570555408 /nfs/dbraw/zinc/55/54/08/570555408.db2.gz QQVSLBTYUXKUJR-SFHVURJKSA-N 1 2 383.451 5.156 50 0 GKAALO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2Nc1ccc(Br)cc1 ZINC000035615973 570555893 /nfs/dbraw/zinc/55/58/93/570555893.db2.gz KJAXHOVLPYRPAE-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO COc1cc(-c2[nH+]c3cc(C)ccn3c2Nc2cccc(Cl)c2C)ccc1O ZINC000035616449 570556361 /nfs/dbraw/zinc/55/63/61/570556361.db2.gz RRZYCBJDQRRBCA-UHFFFAOYSA-N 1 2 393.874 5.729 50 0 GKAALO Cc1ccc(Nc2c(-c3cccc(O)c3)[nH+]c3ccccn32)cc1Br ZINC000035616463 570556403 /nfs/dbraw/zinc/55/64/03/570556403.db2.gz ZPYZSBOGBYXWSN-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO Cc1ccc2[nH+]c(-c3ccc(N(C)C)cc3)c(Nc3cccc(Cl)c3)n2c1 ZINC000035616125 570556435 /nfs/dbraw/zinc/55/64/35/570556435.db2.gz TVERLHQDERUZEK-UHFFFAOYSA-N 1 2 376.891 5.773 50 0 GKAALO Cc1ccc(Nc2c(-c3cccc(O)c3)[nH+]c3ccc(Cl)cn32)cc1Cl ZINC000035616375 570556460 /nfs/dbraw/zinc/55/64/60/570556460.db2.gz FNIJASKBZRPFMX-UHFFFAOYSA-N 1 2 384.266 6.066 50 0 GKAALO Fc1ccc(-c2nc(C[NH2+]Cc3nc(-c4ccccc4F)cs3)cs2)cc1 ZINC000225636856 570596737 /nfs/dbraw/zinc/59/67/37/570596737.db2.gz QJBZYURRTCLZID-UHFFFAOYSA-N 1 2 399.491 5.502 50 0 GKAALO Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005459549 570599930 /nfs/dbraw/zinc/59/99/30/570599930.db2.gz FLFBSZMXLQJZPL-PZJWPPBQSA-N 1 2 394.305 6.489 50 0 GKAALO CCOc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005459902 570600224 /nfs/dbraw/zinc/60/02/24/570600224.db2.gz WCVALFJXTIBBRN-FYYLOGMGSA-N 1 2 387.458 5.720 50 0 GKAALO COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000005458289 570601769 /nfs/dbraw/zinc/60/17/69/570601769.db2.gz VMFJGHWHHQTYJC-TZIWHRDSSA-N 1 2 389.886 5.845 50 0 GKAALO Cc1cccc(-n2cc(C[N@@H+](C)[C@H](C)c3ccon3)c(-c3cccc(F)c3)n2)c1 ZINC000012057208 570603068 /nfs/dbraw/zinc/60/30/68/570603068.db2.gz WYWWSFHVSWCUOF-QGZVFWFLSA-N 1 2 390.462 5.168 50 0 GKAALO Cc1cccc(-n2cc(C[N@H+](C)[C@H](C)c3ccon3)c(-c3cccc(F)c3)n2)c1 ZINC000012057208 570603069 /nfs/dbraw/zinc/60/30/69/570603069.db2.gz WYWWSFHVSWCUOF-QGZVFWFLSA-N 1 2 390.462 5.168 50 0 GKAALO COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000005460631 570603865 /nfs/dbraw/zinc/60/38/65/570603865.db2.gz PLQFJQJXWJVEDR-FPOVZHCZSA-N 1 2 385.467 5.200 50 0 GKAALO Clc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1Cl ZINC000005460746 570604371 /nfs/dbraw/zinc/60/43/71/570604371.db2.gz CISVVJYBEHISQM-AZUAARDMSA-N 1 2 394.305 6.489 50 0 GKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2cccc3ccccc32)cc1 ZINC000005477807 570607659 /nfs/dbraw/zinc/60/76/59/570607659.db2.gz MAOBSZJPMNPPNQ-UHFFFAOYSA-N 1 2 382.492 5.569 50 0 GKAALO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)c(OC)c1 ZINC000036347533 570629618 /nfs/dbraw/zinc/62/96/18/570629618.db2.gz HALNVJZOBGKJPW-HSZRJFAPSA-N 1 2 396.918 5.154 50 0 GKAALO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)c(OC)c1 ZINC000036347533 570629621 /nfs/dbraw/zinc/62/96/21/570629621.db2.gz HALNVJZOBGKJPW-HSZRJFAPSA-N 1 2 396.918 5.154 50 0 GKAALO COc1ccc(OC)c(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000036347534 570629704 /nfs/dbraw/zinc/62/97/04/570629704.db2.gz MWBLGDQBPIGDBP-QHCPKHFHSA-N 1 2 396.918 5.154 50 0 GKAALO COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000036347534 570629705 /nfs/dbraw/zinc/62/97/05/570629705.db2.gz MWBLGDQBPIGDBP-QHCPKHFHSA-N 1 2 396.918 5.154 50 0 GKAALO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347596 570629734 /nfs/dbraw/zinc/62/97/34/570629734.db2.gz MFIAPMOAMWMACB-JOCHJYFZSA-N 1 2 384.882 5.285 50 0 GKAALO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347596 570629736 /nfs/dbraw/zinc/62/97/36/570629736.db2.gz MFIAPMOAMWMACB-JOCHJYFZSA-N 1 2 384.882 5.285 50 0 GKAALO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(Cl)cc2)cc1OC ZINC000036347668 570629800 /nfs/dbraw/zinc/62/98/00/570629800.db2.gz FZUSFYWMVUQGJW-HSZRJFAPSA-N 1 2 396.918 5.154 50 0 GKAALO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1OC ZINC000036347668 570629803 /nfs/dbraw/zinc/62/98/03/570629803.db2.gz FZUSFYWMVUQGJW-HSZRJFAPSA-N 1 2 396.918 5.154 50 0 GKAALO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc(F)ccc2F)cc1 ZINC000036348598 570630991 /nfs/dbraw/zinc/63/09/91/570630991.db2.gz CNIQANFJNLGBIQ-QHCPKHFHSA-N 1 2 382.454 5.160 50 0 GKAALO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cc(F)ccc2F)cc1 ZINC000036348598 570630994 /nfs/dbraw/zinc/63/09/94/570630994.db2.gz CNIQANFJNLGBIQ-QHCPKHFHSA-N 1 2 382.454 5.160 50 0 GKAALO CC[C@H](C(=O)Nc1ccc2c(c1)[nH+]c(CCc1ccccc1)n2C)c1ccccc1 ZINC000033020529 570646099 /nfs/dbraw/zinc/64/60/99/570646099.db2.gz WOBLKBUZOGPHCO-QFIPXVFZSA-N 1 2 397.522 5.491 50 0 GKAALO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000012373404 570648578 /nfs/dbraw/zinc/64/85/78/570648578.db2.gz IOIJXQZMZCLNGL-UHFFFAOYSA-N 1 2 378.369 5.440 50 0 GKAALO Cc1oc(-c2cccc(F)c2)nc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000012373404 570648580 /nfs/dbraw/zinc/64/85/80/570648580.db2.gz IOIJXQZMZCLNGL-UHFFFAOYSA-N 1 2 378.369 5.440 50 0 GKAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4s3)c(C)o2)o1 ZINC000012457542 570669795 /nfs/dbraw/zinc/66/97/95/570669795.db2.gz OIGXFVNUKQBADS-QGZVFWFLSA-N 1 2 379.485 5.498 50 0 GKAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4s3)c(C)o2)o1 ZINC000012457542 570669798 /nfs/dbraw/zinc/66/97/98/570669798.db2.gz OIGXFVNUKQBADS-QGZVFWFLSA-N 1 2 379.485 5.498 50 0 GKAALO C[C@@H](Nc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(Cl)cc21)c1ccccc1 ZINC000072328481 570674424 /nfs/dbraw/zinc/67/44/24/570674424.db2.gz JRGVRJHGXPAHAQ-MRXNPFEDSA-N 1 2 393.918 5.687 50 0 GKAALO c1nn(-c2ccccc2)c2nc[nH+]c(N(Cc3ccccc3)Cc3ccccc3)c12 ZINC000000675871 570708863 /nfs/dbraw/zinc/70/88/63/570708863.db2.gz VLFPABDWPUMAAW-UHFFFAOYSA-N 1 2 391.478 5.022 50 0 GKAALO C[C@H](Nc1nc(N2CCCCC2)[nH+]c2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004361345 570709726 /nfs/dbraw/zinc/70/97/26/570709726.db2.gz YOAQATBFWPFTMD-SELVFMLMSA-N 1 2 390.575 5.637 50 0 GKAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000025067912 570714036 /nfs/dbraw/zinc/71/40/36/570714036.db2.gz QQRIAIGHNBTOFA-OAQYLSRUSA-N 1 2 378.472 5.004 50 0 GKAALO COc1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000025067912 570714038 /nfs/dbraw/zinc/71/40/38/570714038.db2.gz QQRIAIGHNBTOFA-OAQYLSRUSA-N 1 2 378.472 5.004 50 0 GKAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000025067905 570714043 /nfs/dbraw/zinc/71/40/43/570714043.db2.gz QQRIAIGHNBTOFA-NRFANRHFSA-N 1 2 378.472 5.004 50 0 GKAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000025067905 570714044 /nfs/dbraw/zinc/71/40/44/570714044.db2.gz QQRIAIGHNBTOFA-NRFANRHFSA-N 1 2 378.472 5.004 50 0 GKAALO Cc1ccc([C@H]([NH2+]Cc2nc(-c3ccc(F)cc3)no2)c2cccs2)cc1 ZINC000012792799 570714750 /nfs/dbraw/zinc/71/47/50/570714750.db2.gz XDNQLXOKXVLNBB-FQEVSTJZSA-N 1 2 379.460 5.125 50 0 GKAALO CC(C)(C)Nc1c(C2CCCCC2)[nH+]c2c(OCc3ccccc3)cccn12 ZINC000004382104 570727140 /nfs/dbraw/zinc/72/71/40/570727140.db2.gz HMOJORUNRFQDML-UHFFFAOYSA-N 1 2 377.532 6.171 50 0 GKAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)c1ccc(F)cc1F ZINC000058378262 570730087 /nfs/dbraw/zinc/73/00/87/570730087.db2.gz USOYNRXFJRRLOW-NSHDSACASA-N 1 2 386.402 5.086 50 0 GKAALO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1)Nc1c(Cl)cccc1Cl ZINC000032664857 570730811 /nfs/dbraw/zinc/73/08/11/570730811.db2.gz IBRWQTKQUJCNDP-UHFFFAOYSA-N 1 2 389.282 5.227 50 0 GKAALO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1)Nc1c(Cl)cccc1Cl ZINC000032664857 570730816 /nfs/dbraw/zinc/73/08/16/570730816.db2.gz IBRWQTKQUJCNDP-UHFFFAOYSA-N 1 2 389.282 5.227 50 0 GKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1cc(Cl)ccc1OC ZINC000000949054 570735123 /nfs/dbraw/zinc/73/51/23/570735123.db2.gz XPTXPFLAXSFDBA-UHFFFAOYSA-N 1 2 384.863 5.434 50 0 GKAALO CCCCCCC(=O)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000013002834 570741078 /nfs/dbraw/zinc/74/10/78/570741078.db2.gz JSFOUSGVHCJKRC-UHFFFAOYSA-N 1 2 387.527 5.706 50 0 GKAALO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2Nc1ccccc1 ZINC000021797996 570745949 /nfs/dbraw/zinc/74/59/49/570745949.db2.gz PSLLOGDNBNAAIZ-UHFFFAOYSA-N 1 2 376.463 6.140 50 0 GKAALO Cc1ccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)cc1Cl ZINC000064471765 570754483 /nfs/dbraw/zinc/75/44/83/570754483.db2.gz XVKUXJOACJJLQY-UHFFFAOYSA-N 1 2 397.931 5.129 50 0 GKAALO Cc1cccn2cc(-c3ccccc3NC(=O)Cc3c(F)cccc3Cl)[nH+]c12 ZINC000206901770 570754904 /nfs/dbraw/zinc/75/49/04/570754904.db2.gz QOHDJRAZZXYHQP-UHFFFAOYSA-N 1 2 393.849 5.283 50 0 GKAALO Fc1cccc(Cl)c1C[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000022024828 570777894 /nfs/dbraw/zinc/77/78/94/570777894.db2.gz FGDAWWAFLHJPQD-NRFANRHFSA-N 1 2 379.866 5.429 50 0 GKAALO Cc1nc2ccccc2n1Cc1cc(C)c(Cn2c(C)[nH+]c3ccccc32)cc1C ZINC000001201602 570793838 /nfs/dbraw/zinc/79/38/38/570793838.db2.gz BLDAQIRKIICGFT-UHFFFAOYSA-N 1 2 394.522 5.716 50 0 GKAALO c1ncn(C2CC2)c1C[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067846786 570794178 /nfs/dbraw/zinc/79/41/78/570794178.db2.gz UQPDGJBRAGUGOY-UHFFFAOYSA-N 1 2 396.494 5.098 50 0 GKAALO c1ncn(C2CC2)c1C[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067846786 570794180 /nfs/dbraw/zinc/79/41/80/570794180.db2.gz UQPDGJBRAGUGOY-UHFFFAOYSA-N 1 2 396.494 5.098 50 0 GKAALO c1[nH+]cn(C2CC2)c1CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067846786 570794182 /nfs/dbraw/zinc/79/41/82/570794182.db2.gz UQPDGJBRAGUGOY-UHFFFAOYSA-N 1 2 396.494 5.098 50 0 GKAALO Cc1ccc(-c2noc(C[N@H+](Cc3ccc(C(F)(F)F)cc3)C3CC3)n2)cc1 ZINC000032777461 570799942 /nfs/dbraw/zinc/79/99/42/570799942.db2.gz DBQCGSUICNCMIH-UHFFFAOYSA-N 1 2 387.405 5.228 50 0 GKAALO Cc1ccc(-c2noc(C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C3CC3)n2)cc1 ZINC000032777461 570799943 /nfs/dbraw/zinc/79/99/43/570799943.db2.gz DBQCGSUICNCMIH-UHFFFAOYSA-N 1 2 387.405 5.228 50 0 GKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)CSc3ccccc3)cc12 ZINC000033084553 570806259 /nfs/dbraw/zinc/80/62/59/570806259.db2.gz MBYHNGWHCCCVIL-UHFFFAOYSA-N 1 2 391.540 5.264 50 0 GKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3ccc(Cl)cc3)cc12 ZINC000033084536 570806320 /nfs/dbraw/zinc/80/63/20/570806320.db2.gz NHDUIJAZXJSVSB-UHFFFAOYSA-N 1 2 379.891 5.439 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccc(Cl)cc3)cc12 ZINC000033084707 570806335 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Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000012706867 209994182 /nfs/dbraw/zinc/99/41/82/209994182.db2.gz UJPIDSXFXPWHKS-UHFFFAOYSA-N 1 2 396.359 5.579 50 0 GKAALO Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004733953 209518073 /nfs/dbraw/zinc/51/80/73/209518073.db2.gz UVCUDWIMUVRJJS-UHFFFAOYSA-N 1 2 376.891 5.773 50 0 GKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(Br)cc1 ZINC000001774749 212256161 /nfs/dbraw/zinc/25/61/61/212256161.db2.gz OPLBHEBIKPBMOV-UHFFFAOYSA-N 1 2 399.288 5.534 50 0 GKAALO COc1cccc(C[C@H](Cc2[nH]c3ccccc3[nH+]2)c2nc3ccccc3[nH]2)c1 ZINC000000852958 212189513 /nfs/dbraw/zinc/18/95/13/212189513.db2.gz OTPWVDXGWFKWTA-QGZVFWFLSA-N 1 2 382.467 5.017 50 0 GKAALO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2)cc1 ZINC000002974782 203979193 /nfs/dbraw/zinc/97/91/93/203979193.db2.gz JPNCRCYLTKIMBQ-UHFFFAOYSA-N 1 2 376.463 6.140 50 0 GKAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000003389749 204003392 /nfs/dbraw/zinc/00/33/92/204003392.db2.gz OUZYWMFITSKIIE-AWEZNQCLSA-N 1 2 375.299 5.110 50 0 GKAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000003389749 204003396 /nfs/dbraw/zinc/00/33/96/204003396.db2.gz OUZYWMFITSKIIE-AWEZNQCLSA-N 1 2 375.299 5.110 50 0 GKAALO COc1ccccc1C[N@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000003419994 204004886 /nfs/dbraw/zinc/00/48/86/204004886.db2.gz PTJHBHUQXUCGOU-XMMPIXPASA-N 1 2 388.511 5.124 50 0 GKAALO COc1ccccc1C[N@@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000003419994 204004889 /nfs/dbraw/zinc/00/48/89/204004889.db2.gz PTJHBHUQXUCGOU-XMMPIXPASA-N 1 2 388.511 5.124 50 0 GKAALO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000003451409 204008266 /nfs/dbraw/zinc/00/82/66/204008266.db2.gz AODVDTNGKWZSHS-UHFFFAOYSA-N 1 2 376.544 5.661 50 0 GKAALO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000003451409 204008270 /nfs/dbraw/zinc/00/82/70/204008270.db2.gz AODVDTNGKWZSHS-UHFFFAOYSA-N 1 2 376.544 5.661 50 0 GKAALO CC(C)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658680 204018883 /nfs/dbraw/zinc/01/88/83/204018883.db2.gz IYFAHNQEZZAYDL-UHFFFAOYSA-N 1 2 377.488 5.975 50 0 GKAALO Cc1ccc(Nc2c(-c3cccnc3)[nH+]c3ccc(Br)cn32)cc1 ZINC000004126239 204029411 /nfs/dbraw/zinc/02/94/11/204029411.db2.gz XMAGZTAROQDSNP-UHFFFAOYSA-N 1 2 379.261 5.211 50 0 GKAALO CCCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000004192963 204031617 /nfs/dbraw/zinc/03/16/17/204031617.db2.gz WQEFBZVWCGHVKN-UHFFFAOYSA-N 1 2 391.515 6.509 50 0 GKAALO Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)[nH+]c2ccc(Cl)cn21 ZINC000004733800 204070401 /nfs/dbraw/zinc/07/04/01/204070401.db2.gz VVVNLELOIUGKDH-UHFFFAOYSA-N 1 2 376.891 5.773 50 0 GKAALO COc1ccc(-c2cn3cc(-c4ccc(-c5ccccc5)cc4)n(C)c3[nH+]2)cc1 ZINC000004678540 204062886 /nfs/dbraw/zinc/06/28/86/204062886.db2.gz WUUFHAQUHHOFMC-UHFFFAOYSA-N 1 2 379.463 5.682 50 0 GKAALO Clc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005459544 204132922 /nfs/dbraw/zinc/13/29/22/204132922.db2.gz FLFBSZMXLQJZPL-FPOVZHCZSA-N 1 2 394.305 6.489 50 0 GKAALO Clc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005459532 204133385 /nfs/dbraw/zinc/13/33/85/204133385.db2.gz FLFBSZMXLQJZPL-TZIWHRDSSA-N 1 2 394.305 6.489 50 0 GKAALO Clc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005460720 204133798 /nfs/dbraw/zinc/13/37/98/204133798.db2.gz XCIZUYMMKIBRFW-PZJWPPBQSA-N 1 2 394.305 6.489 50 0 GKAALO Cc1cccn2cc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)[nH+]c12 ZINC000006934895 204225578 /nfs/dbraw/zinc/22/55/78/204225578.db2.gz NMYGHVHRVPLMIO-UHFFFAOYSA-N 1 2 397.507 5.183 50 0 GKAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc2ccccc2c1 ZINC000007909722 204255358 /nfs/dbraw/zinc/25/53/58/204255358.db2.gz IWRRYUSZHMICHZ-FQEVSTJZSA-N 1 2 387.508 5.225 50 0 GKAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc2ccccc2c1 ZINC000007909722 204255362 /nfs/dbraw/zinc/25/53/62/204255362.db2.gz IWRRYUSZHMICHZ-FQEVSTJZSA-N 1 2 387.508 5.225 50 0 GKAALO Fc1ccc(-c2cnc(C[N@@H+]3CCc4sccc4[C@H]3c3cccs3)o2)cc1 ZINC000008001107 204257565 /nfs/dbraw/zinc/25/75/65/204257565.db2.gz IHNYCPINJNJGDJ-NRFANRHFSA-N 1 2 396.512 5.751 50 0 GKAALO Fc1ccc(-c2cnc(C[N@H+]3CCc4sccc4[C@H]3c3cccs3)o2)cc1 ZINC000008001107 204257569 /nfs/dbraw/zinc/25/75/69/204257569.db2.gz IHNYCPINJNJGDJ-NRFANRHFSA-N 1 2 396.512 5.751 50 0 GKAALO c1nc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)oc1-c1ccccc1 ZINC000008005069 204259923 /nfs/dbraw/zinc/25/99/23/204259923.db2.gz IRORLTMXCOSTIA-GOSISDBHSA-N 1 2 375.497 5.679 50 0 GKAALO c1nc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)oc1-c1ccccc1 ZINC000008005069 204259925 /nfs/dbraw/zinc/25/99/25/204259925.db2.gz IRORLTMXCOSTIA-GOSISDBHSA-N 1 2 375.497 5.679 50 0 GKAALO Brc1ccc(/C=C2/CCC(C3=CCCC3)=C2[NH+]2CCOCC2)cc1 ZINC000033403937 204963189 /nfs/dbraw/zinc/96/31/89/204963189.db2.gz SDGSBWBNQHETBC-SDXDJHTJSA-N 1 2 386.333 5.323 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c(C)c1 ZINC000037210472 205024055 /nfs/dbraw/zinc/02/40/55/205024055.db2.gz WWUDBJHCZXBQMI-JOCHJYFZSA-N 1 2 396.581 5.321 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c(C)c1 ZINC000037210472 205024060 /nfs/dbraw/zinc/02/40/60/205024060.db2.gz WWUDBJHCZXBQMI-JOCHJYFZSA-N 1 2 396.581 5.321 50 0 GKAALO FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cc[nH+]c2)c1 ZINC000004552356 209138931 /nfs/dbraw/zinc/13/89/31/209138931.db2.gz XXQXSLUGWUBGBQ-UHFFFAOYSA-N 1 2 378.397 5.742 50 0 GKAALO O=C(Cc1ccc2ccccc2c1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000040156292 205059498 /nfs/dbraw/zinc/05/94/98/205059498.db2.gz VRRSJWLAUMHEMP-UHFFFAOYSA-N 1 2 381.479 5.221 50 0 GKAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000055060709 205141861 /nfs/dbraw/zinc/14/18/61/205141861.db2.gz LHPUEDOFVXAHBD-UHFFFAOYSA-N 1 2 396.359 5.579 50 0 GKAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000055060709 205141866 /nfs/dbraw/zinc/14/18/66/205141866.db2.gz LHPUEDOFVXAHBD-UHFFFAOYSA-N 1 2 396.359 5.579 50 0 GKAALO Brc1ccc2c(c1)c1c3n2CC[N@H+](Cc2ccccc2)[C@H]3CCC1 ZINC000055031717 205142229 /nfs/dbraw/zinc/14/22/29/205142229.db2.gz IWUMSIWXCHHAQK-FQEVSTJZSA-N 1 2 381.317 5.297 50 0 biogenic GKAALO Brc1ccc2c(c1)c1c3n2CC[N@@H+](Cc2ccccc2)[C@H]3CCC1 ZINC000055031717 205142231 /nfs/dbraw/zinc/14/22/31/205142231.db2.gz IWUMSIWXCHHAQK-FQEVSTJZSA-N 1 2 381.317 5.297 50 0 biogenic GKAALO CCCOc1cc(Cl)c(C[NH2+][C@H](C)c2nc3ccccc3[nH]2)cc1OCC ZINC000055402492 205149703 /nfs/dbraw/zinc/14/97/03/205149703.db2.gz RHKYQGOLSBRNRJ-CQSZACIVSA-N 1 2 387.911 5.255 50 0 GKAALO CCc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288453 205243879 /nfs/dbraw/zinc/24/38/79/205243879.db2.gz JHWYRESTHQIPQQ-UHFFFAOYSA-N 1 2 391.490 5.175 50 0 GKAALO C[C@@H](Nc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(F)cc21)c1ccccc1 ZINC000067288505 205244215 /nfs/dbraw/zinc/24/42/15/205244215.db2.gz GERJPTUJINOYDC-MRXNPFEDSA-N 1 2 377.463 5.173 50 0 GKAALO Clc1sccc1CO[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000000897385 206331248 /nfs/dbraw/zinc/33/12/48/206331248.db2.gz QXHHHPZILQDDPS-HNNXBMFYSA-N 1 2 387.719 5.863 50 0 fda GKAALO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2)cc1 ZINC000000756779 206320647 /nfs/dbraw/zinc/32/06/47/206320647.db2.gz IHIAJFFBZBEPNG-UHFFFAOYSA-N 1 2 380.426 5.970 50 0 GKAALO Cc1cc(C)cc(C[C@H](Cc2[nH]c3ccccc3[nH+]2)c2nc3ccccc3[nH]2)c1 ZINC000000852954 206328325 /nfs/dbraw/zinc/32/83/25/206328325.db2.gz KOUSZODOLMDLOR-LJQANCHMSA-N 1 2 380.495 5.625 50 0 GKAALO Cc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000001069392 206348807 /nfs/dbraw/zinc/34/88/07/206348807.db2.gz SECUFNWDCKMYIF-QHCPKHFHSA-N 1 2 394.478 5.272 50 0 GKAALO CCCOC(=O)c1cccc(Nc2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)c1 ZINC000001777779 206391653 /nfs/dbraw/zinc/39/16/53/206391653.db2.gz IWRUYYHEYHZKSU-UHFFFAOYSA-N 1 2 392.455 5.030 50 0 GKAALO CCOc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1 ZINC000101222139 211396713 /nfs/dbraw/zinc/39/67/13/211396713.db2.gz WCIPCAFPTOAVIG-UHFFFAOYSA-N 1 2 389.499 5.185 50 0 GKAALO C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1c(Cl)cccc1Cl ZINC000096008817 211294085 /nfs/dbraw/zinc/29/40/85/211294085.db2.gz GLCVVNWOVZHVCU-OAHLLOKOSA-N 1 2 394.346 5.012 50 0 GKAALO CCC[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089949768 211187396 /nfs/dbraw/zinc/18/73/96/211187396.db2.gz KMMMWGRFVNPPBK-KRWDZBQOSA-N 1 2 399.844 5.166 50 0 GKAALO CCC[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089949768 211187400 /nfs/dbraw/zinc/18/74/00/211187400.db2.gz KMMMWGRFVNPPBK-KRWDZBQOSA-N 1 2 399.844 5.166 50 0 GKAALO Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CCCCC2)cc1C ZINC000082087075 211159919 /nfs/dbraw/zinc/15/99/19/211159919.db2.gz RXRIRGGKCJNWMU-HXUWFJFHSA-N 1 2 378.516 5.141 50 0 GKAALO CCn1ccnc1C[N@H+](C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072422861 211116801 /nfs/dbraw/zinc/11/68/01/211116801.db2.gz SAIFIWGGMSURRH-UHFFFAOYSA-N 1 2 376.529 5.120 50 0 GKAALO CCn1ccnc1C[N@@H+](C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072422861 211116805 /nfs/dbraw/zinc/11/68/05/211116805.db2.gz SAIFIWGGMSURRH-UHFFFAOYSA-N 1 2 376.529 5.120 50 0 GKAALO Cc1ccc(-c2noc(C[N@@H+]3CCc4sccc4[C@H]3c3cccs3)n2)cc1 ZINC000015548797 207053111 /nfs/dbraw/zinc/05/31/11/207053111.db2.gz QPICQRFXMBBPNM-FQEVSTJZSA-N 1 2 393.537 5.316 50 0 GKAALO Cc1ccc(-c2noc(C[N@H+]3CCc4sccc4[C@H]3c3cccs3)n2)cc1 ZINC000015548797 207053115 /nfs/dbraw/zinc/05/31/15/207053115.db2.gz QPICQRFXMBBPNM-FQEVSTJZSA-N 1 2 393.537 5.316 50 0 GKAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1cccc(Cl)c1 ZINC000015863841 207064756 /nfs/dbraw/zinc/06/47/56/207064756.db2.gz ULBAZIKXWWUOCP-UHFFFAOYSA-N 1 2 375.859 5.254 50 0 GKAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)[nH+]c2c1 ZINC000015863569 207065205 /nfs/dbraw/zinc/06/52/05/207065205.db2.gz WSUKWFJGPGDIGS-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO Cc1ccc2[nH+]c(CCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)[nH]c2c1 ZINC000015863569 207065209 /nfs/dbraw/zinc/06/52/09/207065209.db2.gz WSUKWFJGPGDIGS-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N(Cc1ccccc1)C(C)C ZINC000017121506 207085442 /nfs/dbraw/zinc/08/54/42/207085442.db2.gz BTWDNJUDMXGMJI-UHFFFAOYSA-N 1 2 391.906 5.192 50 0 GKAALO O=C(c1ccccc1)N1C[N@@H+](C2CCCCC2)Cc2c3c(sc21)CCCC3 ZINC000019607749 207143959 /nfs/dbraw/zinc/14/39/59/207143959.db2.gz MMBOSBNWBRCMAA-UHFFFAOYSA-N 1 2 380.557 5.380 50 0 GKAALO O=C(c1ccccc1)N1C[N@H+](C2CCCCC2)Cc2c3c(sc21)CCCC3 ZINC000019607749 207143960 /nfs/dbraw/zinc/14/39/60/207143960.db2.gz MMBOSBNWBRCMAA-UHFFFAOYSA-N 1 2 380.557 5.380 50 0 GKAALO Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCC(F)(F)F)cc1 ZINC000019634798 207144659 /nfs/dbraw/zinc/14/46/59/207144659.db2.gz WKNRHCOCDLFJNQ-HXUWFJFHSA-N 1 2 376.397 5.597 50 0 GKAALO Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCC(F)(F)F)cc1 ZINC000019634798 207144663 /nfs/dbraw/zinc/14/46/63/207144663.db2.gz WKNRHCOCDLFJNQ-HXUWFJFHSA-N 1 2 376.397 5.597 50 0 GKAALO COc1cc(-c2csc3ccccc23)cc2c1OCC[N@H+](Cc1ccoc1)C2 ZINC000020272776 207186729 /nfs/dbraw/zinc/18/67/29/207186729.db2.gz QEULJOUTGSGLSA-UHFFFAOYSA-N 1 2 391.492 5.565 50 0 GKAALO COc1cc(-c2csc3ccccc23)cc2c1OCC[N@@H+](Cc1ccoc1)C2 ZINC000020272776 207186733 /nfs/dbraw/zinc/18/67/33/207186733.db2.gz QEULJOUTGSGLSA-UHFFFAOYSA-N 1 2 391.492 5.565 50 0 GKAALO CCc1ccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1 ZINC000021704932 207234921 /nfs/dbraw/zinc/23/49/21/207234921.db2.gz GXPXDBAFXBGPCO-UHFFFAOYSA-N 1 2 398.510 5.565 50 0 GKAALO Cc1ccc(NC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)c(C)c1 ZINC000021704906 207235774 /nfs/dbraw/zinc/23/57/74/207235774.db2.gz XLIJNAOOCGLRAV-UHFFFAOYSA-N 1 2 384.483 5.609 50 0 GKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccoc1)CC2 ZINC000022023295 207245363 /nfs/dbraw/zinc/24/53/63/207245363.db2.gz GDJYQGRQSNHDQF-JOCHJYFZSA-N 1 2 383.875 5.098 50 0 GKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccoc1)CC2 ZINC000022023295 207245365 /nfs/dbraw/zinc/24/53/65/207245365.db2.gz GDJYQGRQSNHDQF-JOCHJYFZSA-N 1 2 383.875 5.098 50 0 GKAALO O=C(CCC1CCCC1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000022624784 207258112 /nfs/dbraw/zinc/25/81/12/207258112.db2.gz GAUZDUCFYCHGKF-RUZDIDTESA-N 1 2 394.534 5.030 50 0 GKAALO Cn1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2[nH+]c1CCc1ccccc1 ZINC000033020490 207432213 /nfs/dbraw/zinc/43/22/13/207432213.db2.gz VQRSZONYJQHMNL-UHFFFAOYSA-N 1 2 389.886 5.264 50 0 GKAALO COc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2cccc(Cl)c2)cc1OC ZINC000035616117 207498444 /nfs/dbraw/zinc/49/84/44/207498444.db2.gz NZCPQPXMRQXCJG-UHFFFAOYSA-N 1 2 393.874 5.724 50 0 GKAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000095530419 208231193 /nfs/dbraw/zinc/23/11/93/208231193.db2.gz GDNHWRBSMCXNOP-LJQANCHMSA-N 1 2 389.499 5.276 50 0 GKAALO Clc1ccc(-c2cc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)on2)cc1 ZINC000096794837 208322544 /nfs/dbraw/zinc/32/25/44/208322544.db2.gz FYUIGXDNRQTKOA-QFIPXVFZSA-N 1 2 375.859 5.269 50 0 GKAALO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](Cc1cccc(F)c1)C2 ZINC000299795283 209090282 /nfs/dbraw/zinc/09/02/82/209090282.db2.gz MOVVKXLDXIXYJV-UHFFFAOYSA-N 1 2 383.488 5.266 50 0 GKAALO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](Cc1cccc(F)c1)C2 ZINC000299795283 209090283 /nfs/dbraw/zinc/09/02/83/209090283.db2.gz MOVVKXLDXIXYJV-UHFFFAOYSA-N 1 2 383.488 5.266 50 0 GKAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008000841 221023736 /nfs/dbraw/zinc/02/37/36/221023736.db2.gz AQQJPHGRHPWCFT-LJQANCHMSA-N 1 2 388.945 5.049 50 0 GKAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008000841 221023738 /nfs/dbraw/zinc/02/37/38/221023738.db2.gz AQQJPHGRHPWCFT-LJQANCHMSA-N 1 2 388.945 5.049 50 0 GKAALO O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008039374 221024728 /nfs/dbraw/zinc/02/47/28/221024728.db2.gz RXKYALHKSXKKGX-UHFFFAOYSA-N 1 2 399.519 5.247 50 0 GKAALO CC(C)c1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000008229827 221032367 /nfs/dbraw/zinc/03/23/67/221032367.db2.gz SAALBYHRNYNWKA-UHFFFAOYSA-N 1 2 398.510 5.411 50 0 GKAALO Fc1ccc(-c2noc(C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)n2)cc1 ZINC000008944390 221065366 /nfs/dbraw/zinc/06/53/66/221065366.db2.gz NOEUSDOEHXEIKD-OAQYLSRUSA-N 1 2 391.471 5.085 50 0 GKAALO Fc1ccc(-c2noc(C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)n2)cc1 ZINC000008944390 221065367 /nfs/dbraw/zinc/06/53/67/221065367.db2.gz NOEUSDOEHXEIKD-OAQYLSRUSA-N 1 2 391.471 5.085 50 0 GKAALO c1c(-c2ccc(-c3ccccc3)cc2)[nH+]c2n1c1ccccc1n2Cc1ccccc1 ZINC000008462780 221041594 /nfs/dbraw/zinc/04/15/94/221041594.db2.gz ACPQXXOLOFGXLX-UHFFFAOYSA-N 1 2 399.497 6.671 50 0 GKAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000009573300 221085342 /nfs/dbraw/zinc/08/53/42/221085342.db2.gz KHMCCBCDEHVYOP-UHFFFAOYSA-N 1 2 397.482 5.366 50 0 GKAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000010656473 221105982 /nfs/dbraw/zinc/10/59/82/221105982.db2.gz FEXOHJQNELCEAU-JOCHJYFZSA-N 1 2 391.490 5.126 50 0 GKAALO C[C@@H](c1nnc(SCc2ccc(F)cc2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000011214855 221113589 /nfs/dbraw/zinc/11/35/89/221113589.db2.gz BNOSVZCCTDNDGK-KRWDZBQOSA-N 1 2 396.535 5.246 50 0 GKAALO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3nccs3)c(C)o2)cc1C ZINC000012209258 221167735 /nfs/dbraw/zinc/16/77/35/221167735.db2.gz RAXLAMZOOWDFLO-GOSISDBHSA-N 1 2 383.517 5.151 50 0 GKAALO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3nccs3)c(C)o2)cc1C ZINC000012209258 221167738 /nfs/dbraw/zinc/16/77/38/221167738.db2.gz RAXLAMZOOWDFLO-GOSISDBHSA-N 1 2 383.517 5.151 50 0 GKAALO C[C@H](c1ccon1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012440361 221194883 /nfs/dbraw/zinc/19/48/83/221194883.db2.gz XOGFRTRFLOUKDP-QGZVFWFLSA-N 1 2 378.520 5.316 50 0 GKAALO C[C@H](c1ccon1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012440361 221194888 /nfs/dbraw/zinc/19/48/88/221194888.db2.gz XOGFRTRFLOUKDP-QGZVFWFLSA-N 1 2 378.520 5.316 50 0 GKAALO Cc1cccn2cc(CSc3nnc(Nc4c(C)cccc4C)s3)[nH+]c12 ZINC000012659295 221218117 /nfs/dbraw/zinc/21/81/17/221218117.db2.gz XPQZRMTVTGTAJO-UHFFFAOYSA-N 1 2 381.530 5.147 50 0 GKAALO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000012592062 221211474 /nfs/dbraw/zinc/21/14/74/221211474.db2.gz XMGWCIWWQYEQJB-OAQYLSRUSA-N 1 2 389.524 5.987 50 0 GKAALO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000012592062 221211475 /nfs/dbraw/zinc/21/14/75/221211475.db2.gz XMGWCIWWQYEQJB-OAQYLSRUSA-N 1 2 389.524 5.987 50 0 GKAALO Cc1cccn2cc(COc3cccc(C(=O)Nc4ccccc4C(C)C)c3)[nH+]c12 ZINC000012742951 221224007 /nfs/dbraw/zinc/22/40/07/221224007.db2.gz QSRIVBFVYLOHQN-UHFFFAOYSA-N 1 2 399.494 5.597 50 0 GKAALO CSc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012758939 221226692 /nfs/dbraw/zinc/22/66/92/221226692.db2.gz RYCXERKYSKBDPP-JOCHJYFZSA-N 1 2 394.565 5.056 50 0 GKAALO CSc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012758939 221226694 /nfs/dbraw/zinc/22/66/94/221226694.db2.gz RYCXERKYSKBDPP-JOCHJYFZSA-N 1 2 394.565 5.056 50 0 GKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)Nc1cccc(Cl)c1 ZINC000013348052 221266064 /nfs/dbraw/zinc/26/60/64/221266064.db2.gz SMMRGAMZHYBNAC-UHFFFAOYSA-N 1 2 390.874 5.646 50 0 GKAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1Cl ZINC000013062773 221260454 /nfs/dbraw/zinc/26/04/54/221260454.db2.gz NFJKLHUEUSLHKZ-QGZVFWFLSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1Cl ZINC000013062773 221260455 /nfs/dbraw/zinc/26/04/55/221260455.db2.gz NFJKLHUEUSLHKZ-QGZVFWFLSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1cc(N2CC[NH+]([C@H](C)c3nc4ccccc4s3)CC2)nc2ccccc12 ZINC000039982739 132391954 /nfs/dbraw/zinc/39/19/54/132391954.db2.gz XAXSIHOZPRGCRA-QGZVFWFLSA-N 1 2 388.540 5.036 50 0 GKAALO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000055310525 222020746 /nfs/dbraw/zinc/02/07/46/222020746.db2.gz FYSZSXFZVHXEOD-UHFFFAOYSA-N 1 2 383.488 5.266 50 0 GKAALO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000055310525 222020751 /nfs/dbraw/zinc/02/07/51/222020751.db2.gz FYSZSXFZVHXEOD-UHFFFAOYSA-N 1 2 383.488 5.266 50 0 GKAALO C[C@H](Nc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(F)cc21)c1ccc(F)cc1 ZINC000067288506 222144416 /nfs/dbraw/zinc/14/44/16/222144416.db2.gz QSSKGNRZCMRFRY-HNNXBMFYSA-N 1 2 395.453 5.312 50 0 GKAALO CC[C@@](C)([NH2+]CC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1nccs1 ZINC000072305187 222222084 /nfs/dbraw/zinc/22/20/84/222222084.db2.gz VTRXQTBWOLKWDS-JOCHJYFZSA-N 1 2 395.528 5.097 50 0 GKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1ccccc1F ZINC000072328527 222228928 /nfs/dbraw/zinc/22/89/28/222228928.db2.gz NAXKPIWLOJIWQW-UHFFFAOYSA-N 1 2 385.870 5.121 50 0 GKAALO COc1c(F)cc(NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)cc1F ZINC000095959714 222365502 /nfs/dbraw/zinc/36/55/02/222365502.db2.gz LLYCJZVXULIEQJ-UHFFFAOYSA-N 1 2 390.773 5.066 50 0 GKAALO Clc1ccc([C@@H]2C[C@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1Cl ZINC000101229009 222469179 /nfs/dbraw/zinc/46/91/79/222469179.db2.gz JUWSGESAFYHHDF-PZJWPPBQSA-N 1 2 394.305 6.489 50 0 GKAALO CCN(CC)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000004757353 520876891 /nfs/dbraw/zinc/87/68/91/520876891.db2.gz MUNBRYISQCIEFO-UHFFFAOYSA-N 1 2 397.906 5.060 50 0 GKAALO CCCCc1ccc(C(=O)Nc2ccc3[nH+]c(N(CC)CC)cc(C)c3c2)cc1 ZINC000004757316 521269154 /nfs/dbraw/zinc/26/91/54/521269154.db2.gz YCIJYURDIUPMLP-UHFFFAOYSA-N 1 2 389.543 5.984 50 0 GKAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000020529072 560093421 /nfs/dbraw/zinc/09/34/21/560093421.db2.gz RBAQUPUEENWLNV-SANMLTNESA-N 1 2 382.507 5.633 50 0 biogenic,in-vitro GKAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000020529072 560093422 /nfs/dbraw/zinc/09/34/22/560093422.db2.gz RBAQUPUEENWLNV-SANMLTNESA-N 1 2 382.507 5.633 50 0 biogenic,in-vitro GKAALO CCCCN1c2ccccc2[N@@H+](CC(=O)c2ccc(-c3ccccc3)cc2)C1=N ZINC000019855197 570226165 /nfs/dbraw/zinc/22/61/65/570226165.db2.gz OESGCZPFMQWMCJ-UHFFFAOYSA-N 1 2 383.495 5.272 50 0 GKAALO CCCCN1c2ccccc2[N@H+](CC(=O)c2ccc(-c3ccccc3)cc2)C1=N ZINC000019855197 570226167 /nfs/dbraw/zinc/22/61/67/570226167.db2.gz OESGCZPFMQWMCJ-UHFFFAOYSA-N 1 2 383.495 5.272 50 0 GKAALO Cc1ccc(C)c(NC(=O)c2cccc(OCc3cn4cc(C)ccc4[nH+]3)c2)c1 ZINC000011608064 570233909 /nfs/dbraw/zinc/23/39/09/570233909.db2.gz MHUQAIWGXITLNE-UHFFFAOYSA-N 1 2 385.467 5.091 50 0 GKAALO Fc1cc(I)ccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001040361 570237164 /nfs/dbraw/zinc/23/71/64/570237164.db2.gz SGYXYQQGWNUEIG-UHFFFAOYSA-N 1 2 398.606 5.376 50 0 GKAALO Cc1ccc2[nH+]c(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)cn2c1 ZINC000006105944 570244900 /nfs/dbraw/zinc/24/49/00/570244900.db2.gz JCMIETIRFINLFK-LBPRGKRZSA-N 1 2 396.541 5.171 50 0 GKAALO COc1ccc([C@H]([NH2+]Cc2c(C)nn(CC(C)C)c2Cl)c2ccccc2)cc1 ZINC000012855384 570267145 /nfs/dbraw/zinc/26/71/45/570267145.db2.gz POJAZMCZRNDRGU-JOCHJYFZSA-N 1 2 397.950 5.389 50 0 GKAALO COc1ccc([C@@H]([NH2+]Cc2c(C)nn(CC(C)C)c2Cl)c2ccccc2)cc1 ZINC000012855379 570267336 /nfs/dbraw/zinc/26/73/36/570267336.db2.gz POJAZMCZRNDRGU-QFIPXVFZSA-N 1 2 397.950 5.389 50 0 GKAALO Clc1ccc(/C=C\C2=[NH+]c3ccccc3N[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020813026 570281672 /nfs/dbraw/zinc/28/16/72/570281672.db2.gz RZJGDKDDWWZMGQ-SHRUJXPDSA-N 1 2 393.317 7.336 50 0 GKAALO Cn1c(=S)n(C[N@@H+]2CCC[C@H]2c2ccccc2)nc1-c1ccccc1Cl ZINC000012924603 570296134 /nfs/dbraw/zinc/29/61/34/570296134.db2.gz OILQRYUVBXLNSX-SFHVURJKSA-N 1 2 384.936 5.066 50 0 GKAALO Cn1c(=S)n(C[N@H+]2CCC[C@H]2c2ccccc2)nc1-c1ccccc1Cl ZINC000012924603 570296137 /nfs/dbraw/zinc/29/61/37/570296137.db2.gz OILQRYUVBXLNSX-SFHVURJKSA-N 1 2 384.936 5.066 50 0 GKAALO CSc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012928123 570298180 /nfs/dbraw/zinc/29/81/80/570298180.db2.gz DORBQHMFJOCZBA-JOCHJYFZSA-N 1 2 394.565 5.056 50 0 GKAALO CSc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012928123 570298183 /nfs/dbraw/zinc/29/81/83/570298183.db2.gz DORBQHMFJOCZBA-JOCHJYFZSA-N 1 2 394.565 5.056 50 0 GKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccoc1)CC2 ZINC000022023294 570302271 /nfs/dbraw/zinc/30/22/71/570302271.db2.gz GDJYQGRQSNHDQF-QFIPXVFZSA-N 1 2 383.875 5.098 50 0 GKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccoc1)CC2 ZINC000022023294 570302273 /nfs/dbraw/zinc/30/22/73/570302273.db2.gz GDJYQGRQSNHDQF-QFIPXVFZSA-N 1 2 383.875 5.098 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000035397040 570348696 /nfs/dbraw/zinc/34/86/96/570348696.db2.gz RSJWZUYITVHHEN-UHFFFAOYSA-N 1 2 394.478 5.092 50 0 GKAALO FC(F)(F)c1cccc([C@H]2CCN(Cc3[nH]cc[nH+]3)c3ccccc3S2)c1 ZINC000023232536 570351649 /nfs/dbraw/zinc/35/16/49/570351649.db2.gz VVLFSWKKYPBYRD-QGZVFWFLSA-N 1 2 389.446 5.672 50 0 GKAALO COc1cc(CNc2ccc([NH+]3CCCC3)cc2)ccc1OCc1ccccc1 ZINC000004148480 570359773 /nfs/dbraw/zinc/35/97/73/570359773.db2.gz KEHZNFSRSCBTMV-UHFFFAOYSA-N 1 2 388.511 5.487 50 0 GKAALO Cc1cccc2[nH+]c(-c3cccc(Cl)c3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000004921901 570369801 /nfs/dbraw/zinc/36/98/01/570369801.db2.gz PJDXEYZUFJIYIO-UHFFFAOYSA-N 1 2 391.858 5.478 50 0 GKAALO Cc1cc(-c2nnc(C[N@@H+]3CCc4sccc4[C@H]3c3cccs3)o2)c(C)o1 ZINC000023968749 570375777 /nfs/dbraw/zinc/37/57/77/570375777.db2.gz GLKGSUWULHWYMV-IBGZPJMESA-N 1 2 397.525 5.217 50 0 GKAALO Cc1cc(-c2nnc(C[N@H+]3CCc4sccc4[C@H]3c3cccs3)o2)c(C)o1 ZINC000023968749 570375779 /nfs/dbraw/zinc/37/57/79/570375779.db2.gz GLKGSUWULHWYMV-IBGZPJMESA-N 1 2 397.525 5.217 50 0 GKAALO Clc1ccc([C@H]2C[C@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1Cl ZINC000101229002 570381899 /nfs/dbraw/zinc/38/18/99/570381899.db2.gz JUWSGESAFYHHDF-TZIWHRDSSA-N 1 2 394.305 6.489 50 0 GKAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(F)c2)n2c3ccccc3[nH+]c2N1 ZINC000004632154 570389019 /nfs/dbraw/zinc/38/90/19/570389019.db2.gz YBIDUUCWECDALA-QFIPXVFZSA-N 1 2 398.441 5.103 50 0 GKAALO Clc1ccc(COc2ccccc2CNc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000004631899 570389071 /nfs/dbraw/zinc/38/90/71/570389071.db2.gz UGLOBNPTVUWTKZ-UHFFFAOYSA-N 1 2 392.930 6.131 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000033019666 570399131 /nfs/dbraw/zinc/39/91/31/570399131.db2.gz GDEQRVWCDJEHAT-UHFFFAOYSA-N 1 2 389.886 5.264 50 0 GKAALO Cc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccccc1 ZINC000004741615 570401067 /nfs/dbraw/zinc/40/10/67/570401067.db2.gz HVHGWOLQNPHGDF-QHCPKHFHSA-N 1 2 394.478 5.272 50 0 GKAALO CCOc1ccccc1C(=O)Nc1ccc2[nH+]c(N(CC)CC)cc(C)c2c1 ZINC000004757345 570403752 /nfs/dbraw/zinc/40/37/52/570403752.db2.gz UWENHWQJMJUSJA-UHFFFAOYSA-N 1 2 377.488 5.040 50 0 GKAALO Cc1ccc(Nc2c(-c3ccc(O)cc3)[nH+]c3ccc(Cl)cn32)cc1Cl ZINC000035622055 570403899 /nfs/dbraw/zinc/40/38/99/570403899.db2.gz XUDKVRNBLQDNQL-UHFFFAOYSA-N 1 2 384.266 6.066 50 0 GKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(Cl)c(Cl)c1 ZINC000001774739 570422751 /nfs/dbraw/zinc/42/27/51/570422751.db2.gz VKYYPGSVOBELSE-UHFFFAOYSA-N 1 2 389.282 6.079 50 0 GKAALO C[C@H]([NH2+]Cc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)cc1Cl ZINC000026228936 570423819 /nfs/dbraw/zinc/42/38/19/570423819.db2.gz ZHCMACXXHQLLEU-JTQLQIEISA-N 1 2 382.678 5.548 50 0 GKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Nc3ccccc3F)cc12 ZINC000032953802 570433732 /nfs/dbraw/zinc/43/37/32/570433732.db2.gz DGPZSJCXONJJSE-UHFFFAOYSA-N 1 2 378.451 5.317 50 0 GKAALO Cc1cc(C)cc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c1 ZINC000032953743 570433944 /nfs/dbraw/zinc/43/39/44/570433944.db2.gz RNXCWTSRNQLYEG-UHFFFAOYSA-N 1 2 388.515 5.794 50 0 GKAALO Cc1nn2c(nc3c(c2Nc2ccc([NH+](C)C)cc2)CCCC3)c1-c1ccccc1 ZINC000002239087 570450345 /nfs/dbraw/zinc/45/03/45/570450345.db2.gz CWSWDJDFJOXHEC-UHFFFAOYSA-N 1 2 397.526 5.393 50 0 GKAALO Cc1ccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)c(Cl)c1 ZINC000064471849 570467600 /nfs/dbraw/zinc/46/76/00/570467600.db2.gz CMTSBYVBFSCIOK-UHFFFAOYSA-N 1 2 397.931 5.129 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccc(F)cc3)cc12 ZINC000032945238 570516580 /nfs/dbraw/zinc/51/65/80/570516580.db2.gz VDTKDSGRVMWCBU-UHFFFAOYSA-N 1 2 377.463 5.171 50 0 GKAALO C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006648887 570518220 /nfs/dbraw/zinc/51/82/20/570518220.db2.gz ZMXIESOEOPFOAZ-GOSISDBHSA-N 1 2 383.451 5.156 50 0 GKAALO Clc1ccc(NC2=[NH+]C[C@@H](Cc3ccc(Br)cc3)S2)cc1 ZINC000003022433 570528248 /nfs/dbraw/zinc/52/82/48/570528248.db2.gz SEHOXRPEADYCMB-OAHLLOKOSA-N 1 2 381.726 5.229 50 0 GKAALO COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1 ZINC000032960481 570529289 /nfs/dbraw/zinc/52/92/89/570529289.db2.gz URHHQXYYRHOBNK-UHFFFAOYSA-N 1 2 380.398 5.068 50 0 GKAALO CC(=O)c1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cccc(Cl)c2)cc1 ZINC000032960510 570529792 /nfs/dbraw/zinc/52/97/92/570529792.db2.gz FSZRDJGDESBIRP-UHFFFAOYSA-N 1 2 390.874 5.637 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(Nc3cccc(C)c3C)c12 ZINC000032960514 570529848 /nfs/dbraw/zinc/52/98/48/570529848.db2.gz QXHWTZYFFCLXTH-UHFFFAOYSA-N 1 2 376.891 6.051 50 0 GKAALO CCc1ccc(CNc2[nH+]cnc3c2c(C)c(C)n3-c2cccc(Cl)c2)cc1 ZINC000032960543 570530249 /nfs/dbraw/zinc/53/02/49/570530249.db2.gz HSMBWSIASKOALO-UHFFFAOYSA-N 1 2 390.918 5.865 50 0 GKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000032960788 570531439 /nfs/dbraw/zinc/53/14/39/570531439.db2.gz GWIQRBOZBZVQLZ-UHFFFAOYSA-N 1 2 387.458 5.233 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)CC2CCCCC2)cc1 ZINC000032960865 570531542 /nfs/dbraw/zinc/53/15/42/570531542.db2.gz QWAMGNVWEJVFOY-UHFFFAOYSA-N 1 2 375.516 5.267 50 0 GKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000032960791 570531578 /nfs/dbraw/zinc/53/15/78/570531578.db2.gz DNQPKYNEOVBMCT-UHFFFAOYSA-N 1 2 387.458 5.233 50 0 GKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)CCc4ccccc4)cc3)[nH+]c2c1 ZINC000032960960 570532083 /nfs/dbraw/zinc/53/20/83/570532083.db2.gz PPZVTIPYZVWTMX-UHFFFAOYSA-N 1 2 383.495 5.228 50 0 GKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)CCc4ccccc4)cc3)[nH]c2c1 ZINC000032960960 570532089 /nfs/dbraw/zinc/53/20/89/570532089.db2.gz PPZVTIPYZVWTMX-UHFFFAOYSA-N 1 2 383.495 5.228 50 0 GKAALO CCOc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)cc1 ZINC000032960962 570532157 /nfs/dbraw/zinc/53/21/57/570532157.db2.gz BTINZBAAGXRXTE-UHFFFAOYSA-N 1 2 399.494 5.308 50 0 GKAALO CCOc1ccc(C(=O)Nc2ccc(CCc3[nH]c4cc(C)ccc4[nH+]3)cc2)cc1 ZINC000032960962 570532160 /nfs/dbraw/zinc/53/21/60/570532160.db2.gz BTINZBAAGXRXTE-UHFFFAOYSA-N 1 2 399.494 5.308 50 0 GKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)CC4CCCCC4)cc3)[nH+]c2c1 ZINC000032960973 570532578 /nfs/dbraw/zinc/53/25/78/570532578.db2.gz TUTSRELBYJGWNK-UHFFFAOYSA-N 1 2 375.516 5.565 50 0 GKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)CC4CCCCC4)cc3)[nH]c2c1 ZINC000032960973 570532581 /nfs/dbraw/zinc/53/25/81/570532581.db2.gz TUTSRELBYJGWNK-UHFFFAOYSA-N 1 2 375.516 5.565 50 0 GKAALO CC(C)CN(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCC1 ZINC000006689438 570532770 /nfs/dbraw/zinc/53/27/70/570532770.db2.gz IWXLASRFAJNDJS-UHFFFAOYSA-N 1 2 394.346 5.023 50 0 GKAALO Cc1ccccc1[C@@H](CC(=O)Nc1ccc(F)cc1)c1c[nH+]c2n1CCC[C@@H]2C ZINC000034921190 570547696 /nfs/dbraw/zinc/54/76/96/570547696.db2.gz FLXFGFRNMWHSOO-LAUBAEHRSA-N 1 2 391.490 5.389 50 0 GKAALO Cc1cccc2[nH+]c(-c3ccccc3O)c(Nc3ccc(Br)cc3)n21 ZINC000035615936 570555655 /nfs/dbraw/zinc/55/56/55/570555655.db2.gz CENPACOBYOUQRY-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO CCc1cccc(C)c1Nc1c(-c2ccc(O)c(OC)c2)[nH+]c2ccc(C)cn21 ZINC000035606525 570555821 /nfs/dbraw/zinc/55/58/21/570555821.db2.gz BZSDUVKRFPZYNY-UHFFFAOYSA-N 1 2 387.483 5.638 50 0 GKAALO CC(C)c1ccc(Nc2c(-c3ccc(O)cc3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000035606407 570555907 /nfs/dbraw/zinc/55/59/07/570555907.db2.gz LFDQVPFCDLJFQL-UHFFFAOYSA-N 1 2 377.875 6.227 50 0 GKAALO Cc1ccn2c(c1)[nH+]c(-c1cccc(O)c1)c2Nc1ccc(Br)cc1 ZINC000035615934 570555940 /nfs/dbraw/zinc/55/59/40/570555940.db2.gz ITTTXKYAYVLLBW-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO COc1cc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc(C(C)C)cc2)ccc1O ZINC000035606474 570555953 /nfs/dbraw/zinc/55/59/53/570555953.db2.gz SRZJADGZRVMJSF-UHFFFAOYSA-N 1 2 387.483 5.891 50 0 GKAALO Cc1ccc(Nc2c(-c3ccccc3O)[nH+]c3ccc(Cl)cn32)cc1Cl ZINC000035616317 570556312 /nfs/dbraw/zinc/55/63/12/570556312.db2.gz ZDXIUESXCQINEX-UHFFFAOYSA-N 1 2 384.266 6.066 50 0 GKAALO COc1ccccc1Nc1c(-c2ccc(O)c(OC)c2)[nH+]c2ccc(Cl)cn21 ZINC000035615996 570556380 /nfs/dbraw/zinc/55/63/80/570556380.db2.gz QZQUNKRZXOPHHU-UHFFFAOYSA-N 1 2 395.846 5.121 50 0 GKAALO COc1ccccc1Nc1c(-c2ccc(OC)c(OC)c2)[nH+]c2cc(C)ccn21 ZINC000035616077 570556453 /nfs/dbraw/zinc/55/64/53/570556453.db2.gz LWSHYWRNDRIGJF-UHFFFAOYSA-N 1 2 389.455 5.079 50 0 GKAALO CN(Cc1ccccc1Cl)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000225522851 570583450 /nfs/dbraw/zinc/58/34/50/570583450.db2.gz RLWVYICPWRGZPP-UHFFFAOYSA-N 1 2 394.906 5.204 50 0 GKAALO CCCCCOc1ccc([NH2+]CCC(=O)c2ccc(Br)cc2)cc1 ZINC000005393200 570584380 /nfs/dbraw/zinc/58/43/80/570584380.db2.gz MCXVFRZREJHDMD-UHFFFAOYSA-N 1 2 390.321 5.703 50 0 GKAALO Cc1cc2[nH+]cn(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2cc1C ZINC000036253773 570588164 /nfs/dbraw/zinc/58/81/64/570588164.db2.gz HCKHMFFFLASJAM-UHFFFAOYSA-N 1 2 382.678 5.252 50 0 GKAALO C[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)Cc1ccc(F)cc1 ZINC000011878619 570590492 /nfs/dbraw/zinc/59/04/92/570590492.db2.gz VKSATPZZMXJLBW-UHFFFAOYSA-N 1 2 387.458 5.021 50 0 GKAALO C[N@@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)Cc1ccc(F)cc1 ZINC000011878619 570590494 /nfs/dbraw/zinc/59/04/94/570590494.db2.gz VKSATPZZMXJLBW-UHFFFAOYSA-N 1 2 387.458 5.021 50 0 GKAALO Cc1cc(C)cc(Nc2c(-c3c[nH]c4ccccc43)[nH+]c3ccc(Cl)cn32)c1 ZINC000005453501 570598234 /nfs/dbraw/zinc/59/82/34/570598234.db2.gz IWGJSCUMUIMTFG-UHFFFAOYSA-N 1 2 386.886 6.496 50 0 GKAALO CCOc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005459909 570600287 /nfs/dbraw/zinc/60/02/87/570600287.db2.gz WCVALFJXTIBBRN-GMAHTHKFSA-N 1 2 387.458 5.720 50 0 GKAALO Fc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005461525 570601722 /nfs/dbraw/zinc/60/17/22/570601722.db2.gz UNSCZQCOQKUDFV-PZJWPPBQSA-N 1 2 377.850 5.975 50 0 GKAALO Cc1ccc(Nc2c(-c3cccc4nccnc43)[nH+]c3cccc(C)n32)cc1C ZINC000005458444 570601992 /nfs/dbraw/zinc/60/19/92/570601992.db2.gz RKJPVQJXXYTOGN-UHFFFAOYSA-N 1 2 379.467 5.613 50 0 GKAALO COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000005460635 570603825 /nfs/dbraw/zinc/60/38/25/570603825.db2.gz PLQFJQJXWJVEDR-PZJWPPBQSA-N 1 2 385.467 5.200 50 0 GKAALO Clc1ccc([C@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c(Cl)c1 ZINC000005460682 570603829 /nfs/dbraw/zinc/60/38/29/570603829.db2.gz LGGACSMJQBHJJC-TZIWHRDSSA-N 1 2 394.305 6.489 50 0 GKAALO C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[N@H+](C)Cc1ccccc1F ZINC000003380182 570606143 /nfs/dbraw/zinc/60/61/43/570606143.db2.gz DTLWMUBZSXSONR-SNVBAGLBSA-N 1 2 389.685 5.245 50 0 GKAALO C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[N@@H+](C)Cc1ccccc1F ZINC000003380182 570606146 /nfs/dbraw/zinc/60/61/46/570606146.db2.gz DTLWMUBZSXSONR-SNVBAGLBSA-N 1 2 389.685 5.245 50 0 GKAALO COc1ccc(OC)c(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)c1 ZINC000036347535 570629674 /nfs/dbraw/zinc/62/96/74/570629674.db2.gz MWBLGDQBPIGDBP-HSZRJFAPSA-N 1 2 396.918 5.154 50 0 GKAALO COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)c1 ZINC000036347535 570629676 /nfs/dbraw/zinc/62/96/76/570629676.db2.gz MWBLGDQBPIGDBP-HSZRJFAPSA-N 1 2 396.918 5.154 50 0 GKAALO Fc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036347638 570629727 /nfs/dbraw/zinc/62/97/27/570629727.db2.gz UVZOKEWOZMLLAN-NRFANRHFSA-N 1 2 388.408 5.641 50 0 GKAALO Fc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036347638 570629728 /nfs/dbraw/zinc/62/97/28/570629728.db2.gz UVZOKEWOZMLLAN-NRFANRHFSA-N 1 2 388.408 5.641 50 0 GKAALO O=C(Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1)c1ccccc1Cl ZINC000033019902 570645590 /nfs/dbraw/zinc/64/55/90/570645590.db2.gz DPPXAJNSPAFFQB-UHFFFAOYSA-N 1 2 375.859 5.254 50 0 GKAALO CC[C@H](C(=O)Nc1ccccc1CCc1[nH+]c2ccccc2n1C)c1ccccc1 ZINC000033019816 570645619 /nfs/dbraw/zinc/64/56/19/570645619.db2.gz LLDKOCZRIAIXTK-NRFANRHFSA-N 1 2 397.522 5.491 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccccc1NC(=O)CC1CCCCC1 ZINC000033019851 570645716 /nfs/dbraw/zinc/64/57/16/570645716.db2.gz NUUIWWDHZARAAL-UHFFFAOYSA-N 1 2 375.516 5.267 50 0 GKAALO CCOc1ccccc1C(=O)Nc1cccc(CCc2[nH+]c3ccccc3n2C)c1 ZINC000033019651 570645790 /nfs/dbraw/zinc/64/57/90/570645790.db2.gz SNTYIFVAKWAARI-UHFFFAOYSA-N 1 2 399.494 5.010 50 0 GKAALO Cn1c2ccc(NC(=O)c3cccc(Cl)c3)cc2[nH+]c1CCc1ccccc1 ZINC000033020496 570646011 /nfs/dbraw/zinc/64/60/11/570646011.db2.gz SYQSKDCHMKBLFV-UHFFFAOYSA-N 1 2 389.886 5.264 50 0 GKAALO CC[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c(CCc1ccccc1)n2C)c1ccccc1 ZINC000033020527 570646274 /nfs/dbraw/zinc/64/62/74/570646274.db2.gz WOBLKBUZOGPHCO-JOCHJYFZSA-N 1 2 397.522 5.491 50 0 GKAALO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cs1 ZINC000012385151 570650326 /nfs/dbraw/zinc/65/03/26/570650326.db2.gz AZSBLCCEONGFJG-MRXNPFEDSA-N 1 2 375.921 5.007 50 0 GKAALO CC(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cs1 ZINC000012385151 570650328 /nfs/dbraw/zinc/65/03/28/570650328.db2.gz AZSBLCCEONGFJG-MRXNPFEDSA-N 1 2 375.921 5.007 50 0 GKAALO C[C@@H](c1ccon1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012440363 570664025 /nfs/dbraw/zinc/66/40/25/570664025.db2.gz XOGFRTRFLOUKDP-KRWDZBQOSA-N 1 2 378.520 5.316 50 0 GKAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012440363 570664029 /nfs/dbraw/zinc/66/40/29/570664029.db2.gz XOGFRTRFLOUKDP-KRWDZBQOSA-N 1 2 378.520 5.316 50 0 GKAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)c(C)o2)s1 ZINC000012455399 570669122 /nfs/dbraw/zinc/66/91/22/570669122.db2.gz OWRJGKNXQOLBCO-KRWDZBQOSA-N 1 2 395.553 5.967 50 0 GKAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)c(C)o2)s1 ZINC000012455399 570669123 /nfs/dbraw/zinc/66/91/23/570669123.db2.gz OWRJGKNXQOLBCO-KRWDZBQOSA-N 1 2 395.553 5.967 50 0 GKAALO CCOc1cc(C[NH2+][C@@H](C)c2cn3ccsc3n2)c(Cl)cc1OC(C)C ZINC000055088869 570681974 /nfs/dbraw/zinc/68/19/74/570681974.db2.gz ORTBDDROMIHUHK-ZDUSSCGKSA-N 1 2 393.940 5.086 50 0 GKAALO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(Cl)c1 ZINC000015482402 570684678 /nfs/dbraw/zinc/68/46/78/570684678.db2.gz FYKHFNBAFUSGAP-JTQLQIEISA-N 1 2 382.678 5.548 50 0 GKAALO CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc([NH+](C)C)cc1 ZINC000000944208 570734171 /nfs/dbraw/zinc/73/41/71/570734171.db2.gz KXOXPRHOKAOSGS-UHFFFAOYSA-N 1 2 383.879 5.183 50 0 GKAALO CC(C)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(Cl)c2Cl)cc1 ZINC000013039728 570743198 /nfs/dbraw/zinc/74/31/98/570743198.db2.gz JNNDDVQRXHCAAI-CQSZACIVSA-N 1 2 379.331 5.576 50 0 GKAALO CC(C)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(Cl)c2Cl)cc1 ZINC000013039728 570743201 /nfs/dbraw/zinc/74/32/01/570743201.db2.gz JNNDDVQRXHCAAI-CQSZACIVSA-N 1 2 379.331 5.576 50 0 GKAALO Fc1cccc(Cl)c1C[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000022024829 570777586 /nfs/dbraw/zinc/77/75/86/570777586.db2.gz FGDAWWAFLHJPQD-OAQYLSRUSA-N 1 2 379.866 5.429 50 0 GKAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000005936164 570805766 /nfs/dbraw/zinc/80/57/66/570805766.db2.gz TXWXXIQGUNQCBH-UHFFFAOYSA-N 1 2 392.886 5.129 50 0 GKAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000005936164 570805769 /nfs/dbraw/zinc/80/57/69/570805769.db2.gz TXWXXIQGUNQCBH-UHFFFAOYSA-N 1 2 392.886 5.129 50 0 GKAALO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1ccc(F)cc1 ZINC000004490697 570809205 /nfs/dbraw/zinc/80/92/05/570809205.db2.gz DFCMHEKHVCHDJN-ZIAGYGMSSA-N 1 2 388.487 5.021 50 0 GKAALO FC(F)(F)c1cc(-c2cccs2)nc2sc3c(c21)[NH+]=CN1CCCN=C31 ZINC000101278991 570818272 /nfs/dbraw/zinc/81/82/72/570818272.db2.gz LJOLUNRIAAHASA-UHFFFAOYSA-N 1 2 392.431 5.169 50 0 GKAALO C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012506742 570822257 /nfs/dbraw/zinc/82/22/57/570822257.db2.gz VBIYIBHBZBEDGF-GFCCVEGCSA-N 1 2 375.259 5.062 50 0 GKAALO COc1cccc(-c2cn3cc(-c4ccc(-c5ccccc5)cc4)[nH+]c3n2C)c1 ZINC000004678590 570824830 /nfs/dbraw/zinc/82/48/30/570824830.db2.gz PJHUTXUIEZMAOS-UHFFFAOYSA-N 1 2 379.463 5.682 50 0 GKAALO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)ccc1-c1ccccc1 ZINC000065621915 570843807 /nfs/dbraw/zinc/84/38/07/570843807.db2.gz VZRGAYCGHJQGFQ-UHFFFAOYSA-N 1 2 375.378 5.070 50 0 GKAALO Cc1cccn2cc(COc3ccc(C(=O)Nc4c(C)cccc4C)cc3)[nH+]c12 ZINC000012547278 570848790 /nfs/dbraw/zinc/84/87/90/570848790.db2.gz RVJKDEIXXGCYKX-UHFFFAOYSA-N 1 2 385.467 5.091 50 0 GKAALO c1nn(-c2ccccc2)c2nc[nH+]c(NC3CCCCCCCCCCC3)c12 ZINC000003912186 570886127 /nfs/dbraw/zinc/88/61/27/570886127.db2.gz FSHNRWFBWCLAOY-UHFFFAOYSA-N 1 2 377.536 5.901 50 0 GKAALO CCCC1CCC(C(=O)Nc2ccc3[nH+]c(N(CC)CC)cc(C)c3c2)CC1 ZINC000004563258 570890127 /nfs/dbraw/zinc/89/01/27/570890127.db2.gz DOEIWCWJCMPNND-UHFFFAOYSA-N 1 2 381.564 5.934 50 0 GKAALO COc1ccccc1N1CCc2c1c1cccc(Oc3ccccc3)c1[nH+]c2C ZINC000004053876 570925847 /nfs/dbraw/zinc/92/58/47/570925847.db2.gz IEEMLTMWPFKDFL-UHFFFAOYSA-N 1 2 382.463 6.038 50 0 GKAALO Cc1ccccc1Nc1c(-c2cccc(Br)c2)[nH+]c2ccccn21 ZINC000004733722 570948061 /nfs/dbraw/zinc/94/80/61/570948061.db2.gz XAVUASMEWJSUKR-UHFFFAOYSA-N 1 2 378.273 5.816 50 0 GKAALO Cc1ccc(-c2[nH+]c3ccc(Br)cn3c2Nc2ccccc2C)cc1 ZINC000004733845 570948085 /nfs/dbraw/zinc/94/80/85/570948085.db2.gz JYUPCMSXLFWHGH-UHFFFAOYSA-N 1 2 392.300 6.124 50 0 GKAALO Cc1ccn2c(c1)[nH+]c(-c1cccc(Br)c1)c2Nc1ccccc1C ZINC000004733749 570948188 /nfs/dbraw/zinc/94/81/88/570948188.db2.gz BBHVHIJXJQHWLQ-UHFFFAOYSA-N 1 2 392.300 6.124 50 0 GKAALO Cc1ccc2[nH+]c(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733882 570948220 /nfs/dbraw/zinc/94/82/20/570948220.db2.gz GLTQNNYRACNXNZ-UHFFFAOYSA-N 1 2 397.887 5.539 50 0 GKAALO Cc1ccccc1Nc1c(-c2cccc(Br)c2)[nH+]c2cccc(C)n21 ZINC000004733791 570948251 /nfs/dbraw/zinc/94/82/51/570948251.db2.gz MHAGMSDVHXVRDE-UHFFFAOYSA-N 1 2 392.300 6.124 50 0 GKAALO Cc1ccc(Nc2c(-c3cccc(Br)c3)[nH+]c3cccc(C)n32)cc1 ZINC000004735083 570949018 /nfs/dbraw/zinc/94/90/18/570949018.db2.gz QRNPIKRBBFOPCH-UHFFFAOYSA-N 1 2 392.300 6.124 50 0 GKAALO Cc1ccc(Nc2c(-c3cccc(Br)c3)[nH+]c3ccc(C)cn32)cc1 ZINC000004735102 570949021 /nfs/dbraw/zinc/94/90/21/570949021.db2.gz IBBADIIJMMSOPB-UHFFFAOYSA-N 1 2 392.300 6.124 50 0 GKAALO CSc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735092 570949036 /nfs/dbraw/zinc/94/90/36/570949036.db2.gz FWTUQAGWOJKPQG-UHFFFAOYSA-N 1 2 389.480 5.504 50 0 GKAALO Cc1cccc(C[C@@H](c2[nH]c3ccccc3[nH+]2)[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001409356 570985306 /nfs/dbraw/zinc/98/53/06/570985306.db2.gz MRZXGCVXVOWURN-PKOBYXMFSA-N 1 2 380.495 5.878 50 0 GKAALO C[N@H+](Cn1nc(-c2cccs2)[nH]c1=S)C(c1ccccc1)c1ccccc1 ZINC000045773863 570996228 /nfs/dbraw/zinc/99/62/28/570996228.db2.gz RIVSZMCVJUPVIT-UHFFFAOYSA-N 1 2 392.553 5.348 50 0 GKAALO C[N@@H+](Cn1nc(-c2cccs2)[nH]c1=S)C(c1ccccc1)c1ccccc1 ZINC000045773863 570996233 /nfs/dbraw/zinc/99/62/33/570996233.db2.gz RIVSZMCVJUPVIT-UHFFFAOYSA-N 1 2 392.553 5.348 50 0 GKAALO CCCN(C)C(=O)CCn1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037397049 571003342 /nfs/dbraw/zinc/00/33/42/571003342.db2.gz KBCZDUJTIAGRPL-UHFFFAOYSA-N 1 2 397.950 5.156 50 0 GKAALO CC[C@@H](C(=O)NCC(C)C)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037398596 571006227 /nfs/dbraw/zinc/00/62/27/571006227.db2.gz KTEUVCQLRFQQMG-NRFANRHFSA-N 1 2 395.522 5.106 50 0 GKAALO CCc1ccccc1NC(=O)c1cccc(OCc2cn3cccc(C)c3[nH+]2)c1 ZINC000012756389 571006472 /nfs/dbraw/zinc/00/64/72/571006472.db2.gz PHDBSHOVNFEMOD-UHFFFAOYSA-N 1 2 385.467 5.036 50 0 GKAALO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2F)cc1 ZINC000037522949 571024637 /nfs/dbraw/zinc/02/46/37/571024637.db2.gz VOYOXHUFLLCDSX-XMMPIXPASA-N 1 2 380.482 5.885 50 0 GKAALO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2F)cc1 ZINC000037522949 571024639 /nfs/dbraw/zinc/02/46/39/571024639.db2.gz VOYOXHUFLLCDSX-XMMPIXPASA-N 1 2 380.482 5.885 50 0 GKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000013348377 210058716 /nfs/dbraw/zinc/05/87/16/210058716.db2.gz XUSAQVYGMZOCPE-UHFFFAOYSA-N 1 2 390.531 5.296 50 0 GKAALO Cc1ccc(NC(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)c(C)c1 ZINC000013347790 210059354 /nfs/dbraw/zinc/05/93/54/210059354.db2.gz VCQKRFIKCCAGNH-UHFFFAOYSA-N 1 2 398.510 5.619 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c(Cl)c1 ZINC000012916133 210028790 /nfs/dbraw/zinc/02/87/90/210028790.db2.gz JQNUWWHSNJUQPK-CQSZACIVSA-N 1 2 387.936 5.198 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c(Cl)c1 ZINC000012916133 210028794 /nfs/dbraw/zinc/02/87/94/210028794.db2.gz JQNUWWHSNJUQPK-CQSZACIVSA-N 1 2 387.936 5.198 50 0 GKAALO COc1ccc2cc(C[N@H+](C)Cc3ccc(Cl)c(Cl)c3)c(Cl)nc2c1 ZINC000012930523 210032732 /nfs/dbraw/zinc/03/27/32/210032732.db2.gz FGGIAHZGADWCEN-UHFFFAOYSA-N 1 2 395.717 5.836 50 0 GKAALO COc1ccc2cc(C[N@@H+](C)Cc3ccc(Cl)c(Cl)c3)c(Cl)nc2c1 ZINC000012930523 210032737 /nfs/dbraw/zinc/03/27/37/210032737.db2.gz FGGIAHZGADWCEN-UHFFFAOYSA-N 1 2 395.717 5.836 50 0 GKAALO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000012885999 210022745 /nfs/dbraw/zinc/02/27/45/210022745.db2.gz LFBPIIJEVVGQGL-SFHVURJKSA-N 1 2 393.314 5.168 50 0 GKAALO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000012885999 210022748 /nfs/dbraw/zinc/02/27/48/210022748.db2.gz LFBPIIJEVVGQGL-SFHVURJKSA-N 1 2 393.314 5.168 50 0 GKAALO COc1ccc(Nc2c(-c3c[nH]c4ccccc43)[nH+]c3ccccn32)cc1OC ZINC000005454267 209596161 /nfs/dbraw/zinc/59/61/61/209596161.db2.gz IRKSPBIMNXOIBK-UHFFFAOYSA-N 1 2 384.439 5.243 50 0 GKAALO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccccc1Cl ZINC000003332816 209424776 /nfs/dbraw/zinc/42/47/76/209424776.db2.gz VDZHFTIKDCRMLD-UHFFFAOYSA-N 1 2 378.903 5.001 50 0 GKAALO C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccccc1Cl ZINC000003332816 209424781 /nfs/dbraw/zinc/42/47/81/209424781.db2.gz VDZHFTIKDCRMLD-UHFFFAOYSA-N 1 2 378.903 5.001 50 0 GKAALO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2)cc1 ZINC000002714992 209378092 /nfs/dbraw/zinc/37/80/92/209378092.db2.gz KKGNKLAVAPMYCH-UHFFFAOYSA-N 1 2 396.881 6.485 50 0 GKAALO Cc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002714137 209378143 /nfs/dbraw/zinc/37/81/43/209378143.db2.gz FIYCEUOLQFRVAR-UHFFFAOYSA-N 1 2 376.463 6.140 50 0 GKAALO C[NH+](C)c1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn32)cc1 ZINC000002202587 209349575 /nfs/dbraw/zinc/34/95/75/209349575.db2.gz TUOAWZAOMRWGOK-UHFFFAOYSA-N 1 2 385.515 5.503 50 0 GKAALO CC(C)c1ccc(Nc2[nH+]cnc3c2cnn3Cc2ccc(Cl)cc2)cc1 ZINC000001473023 209330987 /nfs/dbraw/zinc/33/09/87/209330987.db2.gz VEEYZGXXXCKVFW-UHFFFAOYSA-N 1 2 377.879 5.395 50 0 GKAALO Cn1c[nH+]c2cc(Nc3nnc(-c4ccc(Cl)cc4)c4ccccc34)ccc21 ZINC000001205208 209313796 /nfs/dbraw/zinc/31/37/96/209313796.db2.gz GOCJSTHCXSMVRF-UHFFFAOYSA-N 1 2 385.858 5.581 50 0 GKAALO Clc1ccc(C[C@H](Cc2[nH]c3ccccc3[nH+]2)c2nc3ccccc3[nH]2)cc1 ZINC000000891590 209276445 /nfs/dbraw/zinc/27/64/45/209276445.db2.gz GBITUYQUBDLGRK-MRXNPFEDSA-N 1 2 386.886 5.662 50 0 GKAALO CC[NH+](CC)c1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000002063990 212262706 /nfs/dbraw/zinc/26/27/06/212262706.db2.gz DJYIJKWUYGIBTP-UHFFFAOYSA-N 1 2 392.355 6.707 50 0 GKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000004731517 204069385 /nfs/dbraw/zinc/06/93/85/204069385.db2.gz HGMMQIACGZAJRX-QHCPKHFHSA-N 1 2 394.478 5.272 50 0 GKAALO CSc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc(Cl)cc2)cc1 ZINC000004733496 204070666 /nfs/dbraw/zinc/07/06/66/204070666.db2.gz VFVAZSQIIMSOQM-UHFFFAOYSA-N 1 2 379.916 6.429 50 0 GKAALO Cc1cccc(C)c1Nc1c(-c2cccs2)[nH+]c2ccc(Br)cn21 ZINC000004733570 204070673 /nfs/dbraw/zinc/07/06/73/204070673.db2.gz BIKJCEDEGYDZRG-UHFFFAOYSA-N 1 2 398.329 6.186 50 0 GKAALO Cc1ccccc1Nc1c(-c2cccs2)[nH+]c2ccc(Br)cn21 ZINC000004733851 204071319 /nfs/dbraw/zinc/07/13/19/204071319.db2.gz IXAGEUMTOJSSAN-UHFFFAOYSA-N 1 2 384.302 5.877 50 0 GKAALO Clc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)s1 ZINC000004733543 204071340 /nfs/dbraw/zinc/07/13/40/204071340.db2.gz SQKJIGAWLDFDPA-UHFFFAOYSA-N 1 2 394.714 6.767 50 0 GKAALO Cc1ccc2[nH+]c(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)cn2c1 ZINC000006105948 204165793 /nfs/dbraw/zinc/16/57/93/204165793.db2.gz JCMIETIRFINLFK-GFCCVEGCSA-N 1 2 396.541 5.171 50 0 GKAALO Clc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1Cl ZINC000005460761 204132955 /nfs/dbraw/zinc/13/29/55/204132955.db2.gz CISVVJYBEHISQM-ICSRJNTNSA-N 1 2 394.305 6.489 50 0 GKAALO COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000005460627 204133281 /nfs/dbraw/zinc/13/32/81/204133281.db2.gz PLQFJQJXWJVEDR-TZIWHRDSSA-N 1 2 385.467 5.200 50 0 GKAALO CCc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460052 204133703 /nfs/dbraw/zinc/13/37/03/204133703.db2.gz CRALDRDYIVZISS-GGAORHGYSA-N 1 2 387.914 6.398 50 0 GKAALO CCOc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005459915 204133763 /nfs/dbraw/zinc/13/37/63/204133763.db2.gz WCVALFJXTIBBRN-JTHBVZDNSA-N 1 2 387.458 5.720 50 0 GKAALO COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005461327 204134100 /nfs/dbraw/zinc/13/41/00/204134100.db2.gz CIEUYUDBXOOBHQ-IRLDBZIGSA-N 1 2 389.886 5.845 50 0 GKAALO CC(C)CN(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)c1ccccc1F ZINC000006689494 204191754 /nfs/dbraw/zinc/19/17/54/204191754.db2.gz AENOIXZHKRYTMY-UHFFFAOYSA-N 1 2 399.897 5.022 50 0 GKAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000007738397 204249083 /nfs/dbraw/zinc/24/90/83/204249083.db2.gz VDWYTAKEARHNQA-UHFFFAOYSA-N 1 2 397.906 5.212 50 0 GKAALO Fc1ccccc1[C@@H]([NH2+]CCC1=CCCCC1)c1nnc(-c2ccccc2)o1 ZINC000009645626 204318391 /nfs/dbraw/zinc/31/83/91/204318391.db2.gz NGZGTOUIMROZPK-OAQYLSRUSA-N 1 2 377.463 5.445 50 0 GKAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000010656474 204338557 /nfs/dbraw/zinc/33/85/57/204338557.db2.gz FEXOHJQNELCEAU-QFIPXVFZSA-N 1 2 391.490 5.126 50 0 GKAALO Cc1cn(-c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)c(C)[nH+]1 ZINC000012629883 204431791 /nfs/dbraw/zinc/43/17/91/204431791.db2.gz ZFHQNCVTGPLGGS-UHFFFAOYSA-N 1 2 392.553 5.275 50 0 GKAALO Cc1cc(-c2nnc(C[NH2+][C@H](c3cccs3)c3ccc(F)cc3)o2)c(C)o1 ZINC000012772963 204447615 /nfs/dbraw/zinc/44/76/15/204447615.db2.gz GWBYRUTXAVUZQQ-IBGZPJMESA-N 1 2 383.448 5.026 50 0 GKAALO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2Cl)cc1Cl ZINC000036347407 205013484 /nfs/dbraw/zinc/01/34/84/205013484.db2.gz FRYFOQOPHQILKH-NRFANRHFSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2Cl)cc1Cl ZINC000036347407 205013487 /nfs/dbraw/zinc/01/34/87/205013487.db2.gz FRYFOQOPHQILKH-NRFANRHFSA-N 1 2 389.301 5.929 50 0 GKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546891 205036938 /nfs/dbraw/zinc/03/69/38/205036938.db2.gz LAXYYMWPMRXRIQ-FQEVSTJZSA-N 1 2 389.480 5.498 50 0 GKAALO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccccc2C(F)(F)F)[C@@H]3CCC1 ZINC000055447664 205149268 /nfs/dbraw/zinc/14/92/68/205149268.db2.gz CUKXSKHIDWFMDP-JOCHJYFZSA-N 1 2 398.472 6.252 50 0 GKAALO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccccc2C(F)(F)F)[C@@H]3CCC1 ZINC000055447664 205149273 /nfs/dbraw/zinc/14/92/73/205149273.db2.gz CUKXSKHIDWFMDP-JOCHJYFZSA-N 1 2 398.472 6.252 50 0 GKAALO O=c1nc(C[N@@H+]2CCC[C@@H]2c2cccs2)[nH]c2sc(-c3ccccc3)cc21 ZINC000058160585 205165700 /nfs/dbraw/zinc/16/57/00/205165700.db2.gz IAFWJLWAEINAPL-MRXNPFEDSA-N 1 2 393.537 5.050 50 0 GKAALO O=c1nc(C[N@H+]2CCC[C@@H]2c2cccs2)[nH]c2sc(-c3ccccc3)cc21 ZINC000058160585 205165705 /nfs/dbraw/zinc/16/57/05/205165705.db2.gz IAFWJLWAEINAPL-MRXNPFEDSA-N 1 2 393.537 5.050 50 0 GKAALO CC[C@](C)([NH2+]CC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1nccs1 ZINC000072305186 205321801 /nfs/dbraw/zinc/32/18/01/205321801.db2.gz VTRXQTBWOLKWDS-QFIPXVFZSA-N 1 2 395.528 5.097 50 0 GKAALO CCn1cc[nH+]c1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1Cl ZINC000097272577 206225648 /nfs/dbraw/zinc/22/56/48/206225648.db2.gz WULRLTJONVXUGX-QHCPKHFHSA-N 1 2 390.918 5.185 50 0 GKAALO Cc1cccc(C[C@H](c2[nH]c3ccccc3[nH+]2)[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001409355 206379115 /nfs/dbraw/zinc/37/91/15/206379115.db2.gz MRZXGCVXVOWURN-MJGOQNOKSA-N 1 2 380.495 5.878 50 0 GKAALO Clc1ccc([C@H]2C[C@@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1Cl ZINC000101228999 211395871 /nfs/dbraw/zinc/39/58/71/211395871.db2.gz JUWSGESAFYHHDF-CTNGQTDRSA-N 1 2 394.305 6.489 50 0 GKAALO c1c[nH+]c([C@@H]2CCCN2c2nc(C3CC3)nc3scc(-c4ccccc4)c32)[nH]1 ZINC000095467591 211245297 /nfs/dbraw/zinc/24/52/97/211245297.db2.gz PMZLMJOYKWMFKF-KRWDZBQOSA-N 1 2 387.512 5.300 50 0 GKAALO CCC[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089949770 211187159 /nfs/dbraw/zinc/18/71/59/211187159.db2.gz KMMMWGRFVNPPBK-QGZVFWFLSA-N 1 2 399.844 5.166 50 0 GKAALO CCC[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089949770 211187162 /nfs/dbraw/zinc/18/71/62/211187162.db2.gz KMMMWGRFVNPPBK-QGZVFWFLSA-N 1 2 399.844 5.166 50 0 GKAALO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000078991834 211151397 /nfs/dbraw/zinc/15/13/97/211151397.db2.gz OIMQNIUDISVGPC-UHFFFAOYSA-N 1 2 391.814 5.435 50 0 GKAALO CCOc1ccccc1C(=O)Nc1cccc(CCc2[nH]c3ccc(C)cc3[nH+]2)c1 ZINC000015863596 207064342 /nfs/dbraw/zinc/06/43/42/207064342.db2.gz AKCFZCAKUHTJQA-UHFFFAOYSA-N 1 2 399.494 5.308 50 0 GKAALO CCOc1ccccc1C(=O)Nc1cccc(CCc2[nH]c3cc(C)ccc3[nH+]2)c1 ZINC000015863596 207064348 /nfs/dbraw/zinc/06/43/48/207064348.db2.gz AKCFZCAKUHTJQA-UHFFFAOYSA-N 1 2 399.494 5.308 50 0 GKAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4ccccc4Cl)c3)[nH+]c2c1 ZINC000015863607 207064486 /nfs/dbraw/zinc/06/44/86/207064486.db2.gz MZHNPRQPUWUCOU-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO Cc1ccc2[nH+]c(CCc3cccc(NC(=O)c4ccccc4Cl)c3)[nH]c2c1 ZINC000015863607 207064490 /nfs/dbraw/zinc/06/44/90/207064490.db2.gz MZHNPRQPUWUCOU-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccc(Cl)cc1 ZINC000015863612 207064604 /nfs/dbraw/zinc/06/46/04/207064604.db2.gz JFEKEKBNPJLDGF-UHFFFAOYSA-N 1 2 375.859 5.254 50 0 GKAALO CCn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2ccccc2F)c1 ZINC000015863669 207065421 /nfs/dbraw/zinc/06/54/21/207065421.db2.gz GTDDAGGGZCDXBC-UHFFFAOYSA-N 1 2 387.458 5.233 50 0 GKAALO CC(C)CCOc1ccc([NH2+]CCCCOc2ccc(Cl)cc2Cl)cc1 ZINC000019738201 207155443 /nfs/dbraw/zinc/15/54/43/207155443.db2.gz GYOROTWUICRJEY-UHFFFAOYSA-N 1 2 396.358 6.689 50 0 GKAALO Fc1ccc([C@H]([NH2+]C2CCCCC2)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000020178493 207181724 /nfs/dbraw/zinc/18/17/24/207181724.db2.gz CGSWSRUVAPVQOX-IBGZPJMESA-N 1 2 385.870 5.541 50 0 GKAALO Cc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000020988775 207223528 /nfs/dbraw/zinc/22/35/28/207223528.db2.gz AXVMBNYCUNOGJI-JOCHJYFZSA-N 1 2 387.458 5.106 50 0 GKAALO COc1ccccc1NC(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000021357569 207229674 /nfs/dbraw/zinc/22/96/74/207229674.db2.gz FBFRXVOQDSMOSM-UHFFFAOYSA-N 1 2 386.455 5.001 50 0 GKAALO CCc1ccc(NC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000021704882 207234572 /nfs/dbraw/zinc/23/45/72/207234572.db2.gz AJHJCEMHMVCERG-UHFFFAOYSA-N 1 2 384.483 5.555 50 0 GKAALO FC(F)(F)c1cccc([C@@H]2CCN(Cc3[nH]cc[nH+]3)c3ccccc3S2)c1 ZINC000023232533 207271498 /nfs/dbraw/zinc/27/14/98/207271498.db2.gz VVLFSWKKYPBYRD-KRWDZBQOSA-N 1 2 389.446 5.672 50 0 GKAALO CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3nccs3)c(C)o2)cc1 ZINC000012385624 207304045 /nfs/dbraw/zinc/30/40/45/207304045.db2.gz GYLGIHHWJKGKGS-LJQANCHMSA-N 1 2 383.517 5.232 50 0 GKAALO CCOc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3nccs3)c(C)o2)cc1 ZINC000012385624 207304048 /nfs/dbraw/zinc/30/40/48/207304048.db2.gz GYLGIHHWJKGKGS-LJQANCHMSA-N 1 2 383.517 5.232 50 0 GKAALO Clc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101227373 208389415 /nfs/dbraw/zinc/38/94/15/208389415.db2.gz KLNXWHDMRJSQCS-FPOVZHCZSA-N 1 2 394.305 6.489 50 0 GKAALO Cc1ccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1 ZINC000021704940 210389595 /nfs/dbraw/zinc/38/95/95/210389595.db2.gz JOMHQOMDLPPDRD-UHFFFAOYSA-N 1 2 384.483 5.311 50 0 GKAALO Cc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000020988778 210372629 /nfs/dbraw/zinc/37/26/29/210372629.db2.gz AXVMBNYCUNOGJI-QFIPXVFZSA-N 1 2 387.458 5.106 50 0 GKAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000020452866 210335216 /nfs/dbraw/zinc/33/52/16/210335216.db2.gz ZOLKQYYEBVVPTR-OAHLLOKOSA-N 1 2 382.554 5.113 50 0 GKAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000020452866 210335220 /nfs/dbraw/zinc/33/52/20/210335220.db2.gz ZOLKQYYEBVVPTR-OAHLLOKOSA-N 1 2 382.554 5.113 50 0 GKAALO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000019879406 210305006 /nfs/dbraw/zinc/30/50/06/210305006.db2.gz IKBXYEIEFAOFAG-OAQYLSRUSA-N 1 2 382.294 6.380 50 0 GKAALO O=C(c1sc2ccccc2c1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019782266 210296727 /nfs/dbraw/zinc/29/67/27/210296727.db2.gz LEVUCLUGMBGBKJ-RMKNXTFCSA-N 1 2 396.943 5.026 50 0 GKAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008000840 221023415 /nfs/dbraw/zinc/02/34/15/221023415.db2.gz AQQJPHGRHPWCFT-IBGZPJMESA-N 1 2 388.945 5.049 50 0 GKAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008000840 221023418 /nfs/dbraw/zinc/02/34/18/221023418.db2.gz AQQJPHGRHPWCFT-IBGZPJMESA-N 1 2 388.945 5.049 50 0 GKAALO Fc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000008005200 221024166 /nfs/dbraw/zinc/02/41/66/221024166.db2.gz GGFQADVZOLATKG-GOSISDBHSA-N 1 2 393.487 5.818 50 0 GKAALO Fc1ccc(-c2cnc(C[N@H+]3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000008005200 221024168 /nfs/dbraw/zinc/02/41/68/221024168.db2.gz GGFQADVZOLATKG-GOSISDBHSA-N 1 2 393.487 5.818 50 0 GKAALO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1F ZINC000008132071 221028421 /nfs/dbraw/zinc/02/84/21/221028421.db2.gz RIPFRIIPKVJBBH-UHFFFAOYSA-N 1 2 386.511 5.152 50 0 GKAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1F ZINC000008132071 221028423 /nfs/dbraw/zinc/02/84/23/221028423.db2.gz RIPFRIIPKVJBBH-UHFFFAOYSA-N 1 2 386.511 5.152 50 0 GKAALO Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@@H]1c1[nH+]ccn1C ZINC000011819099 221129868 /nfs/dbraw/zinc/12/98/68/221129868.db2.gz ORAIISYBKYHHSH-JOCHJYFZSA-N 1 2 386.499 5.264 50 0 GKAALO O=C(c1cc(F)ccc1F)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000011720733 221122785 /nfs/dbraw/zinc/12/27/85/221122785.db2.gz OLWUGPIWSFEMPD-AWEZNQCLSA-N 1 2 383.360 5.079 50 0 GKAALO O=C(c1cc(F)ccc1F)[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000011720733 221122789 /nfs/dbraw/zinc/12/27/89/221122789.db2.gz OLWUGPIWSFEMPD-AWEZNQCLSA-N 1 2 383.360 5.079 50 0 GKAALO CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH+]ccn2CC)cc1 ZINC000012305695 221177821 /nfs/dbraw/zinc/17/78/21/221177821.db2.gz INZGPAASKOCGEL-RUZDIDTESA-N 1 2 384.527 5.094 50 0 GKAALO CSc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012811024 221234377 /nfs/dbraw/zinc/23/43/77/221234377.db2.gz MFURBXPDHVCEDU-QFIPXVFZSA-N 1 2 394.565 5.056 50 0 GKAALO CSc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012811024 221234380 /nfs/dbraw/zinc/23/43/80/221234380.db2.gz MFURBXPDHVCEDU-QFIPXVFZSA-N 1 2 394.565 5.056 50 0 GKAALO CSc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012811026 221235010 /nfs/dbraw/zinc/23/50/10/221235010.db2.gz MFURBXPDHVCEDU-JOCHJYFZSA-N 1 2 394.565 5.056 50 0 GKAALO CSc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012811026 221235013 /nfs/dbraw/zinc/23/50/13/221235013.db2.gz MFURBXPDHVCEDU-JOCHJYFZSA-N 1 2 394.565 5.056 50 0 GKAALO Cc1ccccc1-n1c(=S)n(C[NH+]2CCCC2)nc1-c1ccc(Cl)cc1 ZINC000013063495 221260988 /nfs/dbraw/zinc/26/09/88/221260988.db2.gz IRKJMDKZNSQFFN-UHFFFAOYSA-N 1 2 384.936 5.085 50 0 GKAALO COc1ccc(CNc2[nH+]c3ccccc3n2Cc2ccc(C)cc2)cc1OC ZINC000013144896 221262899 /nfs/dbraw/zinc/26/28/99/221262899.db2.gz RVOHOLXWVBFBNV-UHFFFAOYSA-N 1 2 387.483 5.022 50 0 GKAALO CCn1c(CCc2cccc(NC(=O)c3ccccc3C)c2)[nH+]c2ccccc21 ZINC000015863671 221350335 /nfs/dbraw/zinc/35/03/35/221350335.db2.gz BFTRPRJMSVIVQH-UHFFFAOYSA-N 1 2 383.495 5.402 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(NCc3ccccc3C)c12 ZINC000032960542 221757454 /nfs/dbraw/zinc/75/74/54/221757454.db2.gz ULRUIZIUMXXCBQ-UHFFFAOYSA-N 1 2 376.891 5.611 50 0 GKAALO CC(C)c1ccc(CNc2c(C(=O)N3CCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288202 222143990 /nfs/dbraw/zinc/14/39/90/222143990.db2.gz DPYMOCXOEQBXFS-UHFFFAOYSA-N 1 2 391.490 5.345 50 0 GKAALO Cc1cn2cc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)ccc2[nH+]1 ZINC000069373668 222172498 /nfs/dbraw/zinc/17/24/98/222172498.db2.gz CJQDWRLOPGVNRO-UHFFFAOYSA-N 1 2 385.345 5.174 50 0 GKAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2oc3ccc(C)cc3c2C)C1 ZINC000095531073 222352857 /nfs/dbraw/zinc/35/28/57/222352857.db2.gz UAXNPTSNOBNSKU-SFHVURJKSA-N 1 2 379.504 5.066 50 0 GKAALO Cc1ccc([C@H]2c3ccccc3OC(c3ccccc3)=C2C[NH+]2CCOCC2)cc1 ZINC000019770566 570217866 /nfs/dbraw/zinc/21/78/66/570217866.db2.gz RYNRCKKXZWKYSH-SANMLTNESA-N 1 2 397.518 5.263 50 0 GKAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c(C)c1 ZINC000035262647 570278228 /nfs/dbraw/zinc/27/82/28/570278228.db2.gz FXNGTAHBGRRVNB-OAQYLSRUSA-N 1 2 382.554 5.013 50 0 GKAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c(C)c1 ZINC000035262647 570278231 /nfs/dbraw/zinc/27/82/31/570278231.db2.gz FXNGTAHBGRRVNB-OAQYLSRUSA-N 1 2 382.554 5.013 50 0 GKAALO CC[NH+](CC)c1ccc(Nc2nc(-c3c(C)nc4ccccn43)cs2)cc1 ZINC000000759588 570318042 /nfs/dbraw/zinc/31/80/42/570318042.db2.gz KOFAFVNKDXUFHL-UHFFFAOYSA-N 1 2 377.517 5.356 50 0 GKAALO Clc1ccc(CS[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000003873371 570352499 /nfs/dbraw/zinc/35/24/99/570352499.db2.gz AFNXATANNDIXLG-SFHVURJKSA-N 1 2 397.758 6.518 50 0 aggregator,fda GKAALO Cl/C(=C\c1ccccc1)c1[nH+]c2ccc(Cl)cn2c1NC1CCCCC1 ZINC000004873040 570352702 /nfs/dbraw/zinc/35/27/02/570352702.db2.gz QYWFVVJJPKNMFE-AQTBWJFISA-N 1 2 386.326 6.469 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)C3CCC(C)CC3)cc12 ZINC000003894499 570353322 /nfs/dbraw/zinc/35/33/22/570353322.db2.gz LPXVCPVAKUZWGD-UHFFFAOYSA-N 1 2 379.548 5.544 50 0 GKAALO C[C@H](c1cccs1)[N@H+](C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000023338506 570355304 /nfs/dbraw/zinc/35/53/04/570355304.db2.gz YMVZNLFSCPAPNW-QGZVFWFLSA-N 1 2 389.524 5.504 50 0 GKAALO C[C@H](c1cccs1)[N@@H+](C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000023338506 570355306 /nfs/dbraw/zinc/35/53/06/570355306.db2.gz YMVZNLFSCPAPNW-QGZVFWFLSA-N 1 2 389.524 5.504 50 0 GKAALO O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575618338 570363022 /nfs/dbraw/zinc/36/30/22/570363022.db2.gz ARFYBVWFTQKNOB-UHFFFAOYSA-N 1 2 399.416 5.086 50 0 GKAALO Cc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000004921879 570369634 /nfs/dbraw/zinc/36/96/34/570369634.db2.gz ZUVFQKUDYNBCLG-UHFFFAOYSA-N 1 2 377.469 5.194 50 0 GKAALO Clc1cccc(Cl)c1[C@@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000101230642 570384533 /nfs/dbraw/zinc/38/45/33/570384533.db2.gz PINSVEAHVZLONM-QUCCMNQESA-N 1 2 394.305 6.489 50 0 GKAALO Clc1cccc(Cl)c1[C@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000101230637 570384538 /nfs/dbraw/zinc/38/45/38/570384538.db2.gz PINSVEAHVZLONM-UYAOXDASSA-N 1 2 394.305 6.489 50 0 GKAALO COc1ccc(C(C)=O)cc1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000024527351 570385175 /nfs/dbraw/zinc/38/51/75/570385175.db2.gz SICKOOQTLUTRNR-OAQYLSRUSA-N 1 2 383.538 5.169 50 0 GKAALO COc1ccc(C(C)=O)cc1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000024527351 570385176 /nfs/dbraw/zinc/38/51/76/570385176.db2.gz SICKOOQTLUTRNR-OAQYLSRUSA-N 1 2 383.538 5.169 50 0 GKAALO S=c1n(C[N@H+](C2CC2)C2CCCC2)nc(-c2ccco2)n1-c1ccccc1 ZINC000024656097 570388731 /nfs/dbraw/zinc/38/87/31/570388731.db2.gz VDPGUUCHRHNJSG-UHFFFAOYSA-N 1 2 380.517 5.028 50 0 GKAALO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nc(-c2ccco2)n1-c1ccccc1 ZINC000024656097 570388734 /nfs/dbraw/zinc/38/87/34/570388734.db2.gz VDPGUUCHRHNJSG-UHFFFAOYSA-N 1 2 380.517 5.028 50 0 GKAALO Cc1cc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)no1 ZINC000024805829 570393579 /nfs/dbraw/zinc/39/35/79/570393579.db2.gz KTSZIFIHEIEARM-UHFFFAOYSA-N 1 2 392.890 5.121 50 0 GKAALO Cc1cc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)no1 ZINC000024805829 570393584 /nfs/dbraw/zinc/39/35/84/570393584.db2.gz KTSZIFIHEIEARM-UHFFFAOYSA-N 1 2 392.890 5.121 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(Nc3ccc(F)cc3C)c12 ZINC000032960537 570397649 /nfs/dbraw/zinc/39/76/49/570397649.db2.gz CKUGXKMJDQTSBC-UHFFFAOYSA-N 1 2 380.854 5.882 50 0 GKAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccccc2C)ccc1O ZINC000004733796 570399124 /nfs/dbraw/zinc/39/91/24/570399124.db2.gz FWPHVMBSDRGLIR-UHFFFAOYSA-N 1 2 379.847 5.421 50 0 GKAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(F)cc3Cl)ccc2[nH+]1 ZINC000004757318 570403714 /nfs/dbraw/zinc/40/37/14/570403714.db2.gz ZYKYTTVSKVRBKV-UHFFFAOYSA-N 1 2 385.870 5.434 50 0 GKAALO Clc1ccc(-c2csc3ncnc(NCc4cn5ccccc5[nH+]4)c23)cc1 ZINC000025347542 570411833 /nfs/dbraw/zinc/41/18/33/570411833.db2.gz JHKLHVPRKFASSG-UHFFFAOYSA-N 1 2 391.887 5.272 50 0 GKAALO CCCCOc1ccc(Nc2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)cc1 ZINC000001777772 570423141 /nfs/dbraw/zinc/42/31/41/570423141.db2.gz CSBAIPYQQHNNFI-UHFFFAOYSA-N 1 2 378.472 5.642 50 0 GKAALO Cc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1C ZINC000032953739 570433840 /nfs/dbraw/zinc/43/38/40/570433840.db2.gz NAGXIGLTWQYGIS-UHFFFAOYSA-N 1 2 388.515 5.794 50 0 GKAALO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000027498383 570434728 /nfs/dbraw/zinc/43/47/28/570434728.db2.gz ZQGNNQDCPJEVPX-LJQANCHMSA-N 1 2 385.492 5.204 50 0 GKAALO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000027498383 570434731 /nfs/dbraw/zinc/43/47/31/570434731.db2.gz ZQGNNQDCPJEVPX-LJQANCHMSA-N 1 2 385.492 5.204 50 0 GKAALO Cn1c(=S)n(C[NH+]2CCC(c3ccccc3)CC2)nc1-c1ccccc1Cl ZINC000005748889 570454879 /nfs/dbraw/zinc/45/48/79/570454879.db2.gz UCLKDBJXHKISJN-UHFFFAOYSA-N 1 2 398.963 5.109 50 0 GKAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000050805301 570465540 /nfs/dbraw/zinc/46/55/40/570465540.db2.gz AFVSUZXTWVBHSY-UHFFFAOYSA-N 1 2 395.871 5.836 50 0 GKAALO COc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1OCc1ccccc1 ZINC000006667537 570487136 /nfs/dbraw/zinc/48/71/36/570487136.db2.gz MTNXTHBMMHAUIF-UHFFFAOYSA-N 1 2 398.506 5.314 50 0 GKAALO COc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1OCc1ccccc1 ZINC000006667537 570487140 /nfs/dbraw/zinc/48/71/40/570487140.db2.gz MTNXTHBMMHAUIF-UHFFFAOYSA-N 1 2 398.506 5.314 50 0 GKAALO C[N@@H+]1/C(=C\C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C ZINC000031853567 570506835 /nfs/dbraw/zinc/50/68/35/570506835.db2.gz BWDIUTRPMNJSGP-WQRHYEAKSA-N 1 2 375.299 5.240 50 0 GKAALO C[N@H+]1/C(=C\C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C ZINC000031853567 570506837 /nfs/dbraw/zinc/50/68/37/570506837.db2.gz BWDIUTRPMNJSGP-WQRHYEAKSA-N 1 2 375.299 5.240 50 0 GKAALO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(F)cc2)cc1 ZINC000002714374 570509230 /nfs/dbraw/zinc/50/92/30/570509230.db2.gz BDIXISCBPOAINE-UHFFFAOYSA-N 1 2 394.453 6.279 50 0 GKAALO Cc1c(C)n(-c2ccc(Cl)cc2)c2nc[nH+]c(NCc3cccc(C)c3)c12 ZINC000032960431 570528821 /nfs/dbraw/zinc/52/88/21/570528821.db2.gz LHLDOIFRGKQMKY-UHFFFAOYSA-N 1 2 376.891 5.611 50 0 GKAALO Cc1c(C)n(-c2ccc(F)c(F)c2)c2nc[nH+]c(NCc3cccc(C)c3)c12 ZINC000032960459 570529028 /nfs/dbraw/zinc/52/90/28/570529028.db2.gz XICPWYPDQKDMOZ-UHFFFAOYSA-N 1 2 378.426 5.236 50 0 GKAALO Cc1c(C)n(-c2cc(F)cc(F)c2)c2nc[nH+]c(Nc3ccc(F)c(F)c3)c12 ZINC000032960492 570529120 /nfs/dbraw/zinc/52/91/20/570529120.db2.gz JYNWAAAETNVKQR-UHFFFAOYSA-N 1 2 386.352 5.337 50 0 GKAALO Cc1c(C)n(-c2cc(F)cc(F)c2)c2nc[nH+]c(Nc3ccc(C)c(F)c3)c12 ZINC000032960489 570529278 /nfs/dbraw/zinc/52/92/78/570529278.db2.gz IRMTUNPUXDZROY-UHFFFAOYSA-N 1 2 382.389 5.507 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(NCc3ccc(C)cc3)c12 ZINC000032960520 570529787 /nfs/dbraw/zinc/52/97/87/570529787.db2.gz OIZBLJZYCMZMBN-UHFFFAOYSA-N 1 2 376.891 5.611 50 0 GKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)[C@H](C)Oc4ccccc4)cc3)[nH+]c2c1 ZINC000032961003 570532436 /nfs/dbraw/zinc/53/24/36/570532436.db2.gz SXOFZEPEBGPJEG-SFHVURJKSA-N 1 2 399.494 5.063 50 0 GKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)[C@H](C)Oc4ccccc4)cc3)[nH]c2c1 ZINC000032961003 570532439 /nfs/dbraw/zinc/53/24/39/570532439.db2.gz SXOFZEPEBGPJEG-SFHVURJKSA-N 1 2 399.494 5.063 50 0 GKAALO CCOc1ccccc1C(=O)Nc1ccc(CCc2[nH]c3ccc(C)cc3[nH+]2)cc1 ZINC000032960964 570532708 /nfs/dbraw/zinc/53/27/08/570532708.db2.gz JOVPBXNJIHHFFN-UHFFFAOYSA-N 1 2 399.494 5.308 50 0 GKAALO CCOc1ccccc1C(=O)Nc1ccc(CCc2[nH]c3cc(C)ccc3[nH+]2)cc1 ZINC000032960964 570532711 /nfs/dbraw/zinc/53/27/11/570532711.db2.gz JOVPBXNJIHHFFN-UHFFFAOYSA-N 1 2 399.494 5.308 50 0 GKAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000006690225 570533387 /nfs/dbraw/zinc/53/33/87/570533387.db2.gz LVPUATYQWUNGIP-UHFFFAOYSA-N 1 2 394.346 5.023 50 0 GKAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)CC(C)C ZINC000006689280 570533795 /nfs/dbraw/zinc/53/37/95/570533795.db2.gz QGSMLOWUHFBGSP-UHFFFAOYSA-N 1 2 396.362 5.269 50 0 GKAALO COc1cccc(C(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)c1 ZINC000008591623 570535437 /nfs/dbraw/zinc/53/54/37/570535437.db2.gz VOLRCKKWIMICCD-UHFFFAOYSA-N 1 2 389.499 5.040 50 0 GKAALO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2coc4ccccc4c2=O)[C@@H]3CCC1 ZINC000005032472 570541078 /nfs/dbraw/zinc/54/10/78/570541078.db2.gz KOPVOBSLBCDNRF-HSZRJFAPSA-N 1 2 398.506 5.339 50 0 GKAALO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2coc4ccccc4c2=O)[C@@H]3CCC1 ZINC000005032472 570541079 /nfs/dbraw/zinc/54/10/79/570541079.db2.gz KOPVOBSLBCDNRF-HSZRJFAPSA-N 1 2 398.506 5.339 50 0 GKAALO C[NH+](C)C(C)(C)c1nnnn1[C@@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000012381203 570542252 /nfs/dbraw/zinc/54/22/52/570542252.db2.gz KDNZZDWBTGESGU-SLWQEBJJSA-N 1 2 396.366 5.077 50 0 GKAALO FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)c[nH+]2)cc1 ZINC000034660430 570542833 /nfs/dbraw/zinc/54/28/33/570542833.db2.gz NODCQQSEMCESEC-UHFFFAOYSA-N 1 2 382.389 5.180 50 0 in-vitro GKAALO COc1ccc([C@H](Sc2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000034868921 570545792 /nfs/dbraw/zinc/54/57/92/570545792.db2.gz FCVOFFXYYIWZOA-DEOSSOPVSA-N 1 2 390.552 5.308 50 0 GKAALO Cc1ccccc1[C@H](CC(=O)Nc1ccc(F)cc1)c1c[nH+]c2n1CCC[C@H]2C ZINC000034921195 570547783 /nfs/dbraw/zinc/54/77/83/570547783.db2.gz FLXFGFRNMWHSOO-UTKZUKDTSA-N 1 2 391.490 5.389 50 0 GKAALO Cc1cccc2[nH+]c(-c3ccc(N(C)C)cc3)c(Nc3cccc(Cl)c3)n21 ZINC000035616330 570556309 /nfs/dbraw/zinc/55/63/09/570556309.db2.gz XRLXOGQJNLTTGB-UHFFFAOYSA-N 1 2 376.891 5.773 50 0 GKAALO COc1cccc(Nc2c(-c3ccc(O)c(OC)c3)[nH+]c3ccc(Cl)cn32)c1 ZINC000035616211 570556337 /nfs/dbraw/zinc/55/63/37/570556337.db2.gz PELKGTLNPYXTIK-UHFFFAOYSA-N 1 2 395.846 5.121 50 0 GKAALO Cc1c(Cl)cccc1Nc1c(-c2ccccc2O)[nH+]c2ccc(Cl)cn21 ZINC000035616408 570556397 /nfs/dbraw/zinc/55/63/97/570556397.db2.gz PBVIQPIJJRXCPN-UHFFFAOYSA-N 1 2 384.266 6.066 50 0 GKAALO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)cs1 ZINC000011948976 570595862 /nfs/dbraw/zinc/59/58/62/570595862.db2.gz WXLMSBPGECTQLP-LJQANCHMSA-N 1 2 377.509 5.199 50 0 GKAALO CC(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)cs1 ZINC000011948976 570595863 /nfs/dbraw/zinc/59/58/63/570595863.db2.gz WXLMSBPGECTQLP-LJQANCHMSA-N 1 2 377.509 5.199 50 0 GKAALO Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000005459789 570600144 /nfs/dbraw/zinc/60/01/44/570600144.db2.gz BEUYECLFJIHHDZ-ICSRJNTNSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000005460119 570600378 /nfs/dbraw/zinc/60/03/78/570600378.db2.gz JNGXLRWALCBKEI-CTNGQTDRSA-N 1 2 377.850 5.975 50 0 GKAALO COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000005458306 570601878 /nfs/dbraw/zinc/60/18/78/570601878.db2.gz VMFJGHWHHQTYJC-PZJWPPBQSA-N 1 2 389.886 5.845 50 0 GKAALO Clc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005458487 570602005 /nfs/dbraw/zinc/60/20/05/570602005.db2.gz CAFKQBMEQHJCTH-FPOVZHCZSA-N 1 2 394.305 6.489 50 0 GKAALO CC(C)c1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005461201 570604354 /nfs/dbraw/zinc/60/43/54/570604354.db2.gz PDEMWRQRXNPOBF-ISKFKSNPSA-N 1 2 385.486 6.445 50 0 GKAALO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2Cl)cc1Cl ZINC000036347406 570628650 /nfs/dbraw/zinc/62/86/50/570628650.db2.gz FRYFOQOPHQILKH-OAQYLSRUSA-N 1 2 389.301 5.929 50 0 GKAALO Fc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2Cl)cc1Cl ZINC000036347406 570628653 /nfs/dbraw/zinc/62/86/53/570628653.db2.gz FRYFOQOPHQILKH-OAQYLSRUSA-N 1 2 389.301 5.929 50 0 GKAALO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cs1 ZINC000012228228 570628982 /nfs/dbraw/zinc/62/89/82/570628982.db2.gz ABRWXEOFKBRZFP-MRXNPFEDSA-N 1 2 395.446 5.064 50 0 GKAALO CC(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cs1 ZINC000012228228 570628987 /nfs/dbraw/zinc/62/89/87/570628987.db2.gz ABRWXEOFKBRZFP-MRXNPFEDSA-N 1 2 395.446 5.064 50 0 GKAALO Fc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348256 570630839 /nfs/dbraw/zinc/63/08/39/570630839.db2.gz WPSZCNZZCUJXSE-OAQYLSRUSA-N 1 2 388.408 5.641 50 0 GKAALO Fc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348256 570630841 /nfs/dbraw/zinc/63/08/41/570630841.db2.gz WPSZCNZZCUJXSE-OAQYLSRUSA-N 1 2 388.408 5.641 50 0 GKAALO Fc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348241 570631030 /nfs/dbraw/zinc/63/10/30/570631030.db2.gz WKTOOJDMGYHZKM-NRFANRHFSA-N 1 2 388.408 5.641 50 0 GKAALO Fc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348241 570631034 /nfs/dbraw/zinc/63/10/34/570631034.db2.gz WKTOOJDMGYHZKM-NRFANRHFSA-N 1 2 388.408 5.641 50 0 GKAALO Cc1ccsc1-c1nc(C[N@@H+]2CCC[C@@H](C(=O)c3cccs3)C2)c(C)o1 ZINC000012304201 570637685 /nfs/dbraw/zinc/63/76/85/570637685.db2.gz KOBSSTDCMIBBHB-OAHLLOKOSA-N 1 2 386.542 5.176 50 0 GKAALO Cc1ccsc1-c1nc(C[N@H+]2CCC[C@@H](C(=O)c3cccs3)C2)c(C)o1 ZINC000012304201 570637687 /nfs/dbraw/zinc/63/76/87/570637687.db2.gz KOBSSTDCMIBBHB-OAHLLOKOSA-N 1 2 386.542 5.176 50 0 GKAALO CC[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)Cc1ccccc1 ZINC000012315947 570641100 /nfs/dbraw/zinc/64/11/00/570641100.db2.gz VPBFQUDRLOVQIC-UHFFFAOYSA-N 1 2 383.495 5.272 50 0 GKAALO CC[N@@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)Cc1ccccc1 ZINC000012315947 570641102 /nfs/dbraw/zinc/64/11/02/570641102.db2.gz VPBFQUDRLOVQIC-UHFFFAOYSA-N 1 2 383.495 5.272 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccccc1NC(=O)CCC1CCCC1 ZINC000033019791 570644245 /nfs/dbraw/zinc/64/42/45/570644245.db2.gz JVRZFISGNGWJKD-UHFFFAOYSA-N 1 2 375.516 5.267 50 0 GKAALO CC[C@@H](C(=O)Nc1ccccc1CCc1[nH+]c2ccccc2n1C)c1ccccc1 ZINC000033019813 570645528 /nfs/dbraw/zinc/64/55/28/570645528.db2.gz LLDKOCZRIAIXTK-OAQYLSRUSA-N 1 2 397.522 5.491 50 0 GKAALO Cn1c2ccc(NC(=O)CC3CCCCC3)cc2[nH+]c1CCc1ccccc1 ZINC000033020559 570646255 /nfs/dbraw/zinc/64/62/55/570646255.db2.gz YJVADIFRKJHVLV-UHFFFAOYSA-N 1 2 375.516 5.267 50 0 GKAALO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012570983 570680793 /nfs/dbraw/zinc/68/07/93/570680793.db2.gz OHUBVPISARBQFN-OAHLLOKOSA-N 1 2 386.542 5.176 50 0 GKAALO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012570983 570680795 /nfs/dbraw/zinc/68/07/95/570680795.db2.gz OHUBVPISARBQFN-OAHLLOKOSA-N 1 2 386.542 5.176 50 0 GKAALO Cc1ncsc1C[N@@H+](Cc1nc(-c2cccs2)oc1C)Cc1ccccc1 ZINC000055134273 570684515 /nfs/dbraw/zinc/68/45/15/570684515.db2.gz YVRZTGNCQFCZGE-UHFFFAOYSA-N 1 2 395.553 5.679 50 0 GKAALO Cc1ncsc1C[N@H+](Cc1nc(-c2cccs2)oc1C)Cc1ccccc1 ZINC000055134273 570684518 /nfs/dbraw/zinc/68/45/18/570684518.db2.gz YVRZTGNCQFCZGE-UHFFFAOYSA-N 1 2 395.553 5.679 50 0 GKAALO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055242964 570688380 /nfs/dbraw/zinc/68/83/80/570688380.db2.gz KPTQPTPKQCOGAA-UHFFFAOYSA-N 1 2 383.495 5.125 50 0 GKAALO C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012627582 570691888 /nfs/dbraw/zinc/69/18/88/570691888.db2.gz KVCZMRIYPHBYJP-INIZCTEOSA-N 1 2 399.947 5.275 50 0 GKAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000055543863 570696751 /nfs/dbraw/zinc/69/67/51/570696751.db2.gz JXAKCXNWRWMIHV-UHFFFAOYSA-N 1 2 389.248 5.334 50 0 GKAALO OC1(c2ccc3c(c2)c2c4n3CC[N@H+](Cc3ccccc3)[C@H]4CCC2)CCCC1 ZINC000057381104 570701864 /nfs/dbraw/zinc/70/18/64/570701864.db2.gz UTSUYWZQSWIKHP-DEOSSOPVSA-N 1 2 386.539 5.296 50 0 biogenic GKAALO OC1(c2ccc3c(c2)c2c4n3CC[N@@H+](Cc3ccccc3)[C@H]4CCC2)CCCC1 ZINC000057381104 570701866 /nfs/dbraw/zinc/70/18/66/570701866.db2.gz UTSUYWZQSWIKHP-DEOSSOPVSA-N 1 2 386.539 5.296 50 0 biogenic GKAALO Cn1cc[nH+]c1[C@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000017590155 570705988 /nfs/dbraw/zinc/70/59/88/570705988.db2.gz GODPWXAZVLKRAS-JOCHJYFZSA-N 1 2 391.478 5.232 50 0 GKAALO Cc1cccc(-c2[nH+]c3c(OCc4ccccc4)cccn3c2NC(C)(C)C)c1 ZINC000004382195 570726960 /nfs/dbraw/zinc/72/69/60/570726960.db2.gz PXRJEZZESVJLJG-UHFFFAOYSA-N 1 2 385.511 6.099 50 0 GKAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(Cl)c(Cl)c1 ZINC000000948624 570735558 /nfs/dbraw/zinc/73/55/58/570735558.db2.gz PZNXHRNKJHNFIS-UHFFFAOYSA-N 1 2 391.254 5.471 50 0 GKAALO CCSc1ccccc1C(=O)Nc1ccccc1-c1cn2cccc(C)c2[nH+]1 ZINC000206901521 570754914 /nfs/dbraw/zinc/75/49/14/570754914.db2.gz HFPOUWREZCOSQL-UHFFFAOYSA-N 1 2 387.508 5.674 50 0 GKAALO Cc1ncsc1C[N@@H+](Cc1nc(-c2ccsc2)oc1C)Cc1ccccc1 ZINC000064626474 570756187 /nfs/dbraw/zinc/75/61/87/570756187.db2.gz YHRGYCOLJSTFBP-UHFFFAOYSA-N 1 2 395.553 5.679 50 0 GKAALO Cc1ncsc1C[N@H+](Cc1nc(-c2ccsc2)oc1C)Cc1ccccc1 ZINC000064626474 570756188 /nfs/dbraw/zinc/75/61/88/570756188.db2.gz YHRGYCOLJSTFBP-UHFFFAOYSA-N 1 2 395.553 5.679 50 0 GKAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2[C@@H](C)CCCC(C)(C)O)n1 ZINC000065387346 570763954 /nfs/dbraw/zinc/76/39/54/570763954.db2.gz FQJFVOQREZHDRJ-IBGZPJMESA-N 1 2 394.563 5.108 50 0 GKAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)c(OC)c1 ZINC000032759690 570795125 /nfs/dbraw/zinc/79/51/25/570795125.db2.gz NPDQYQUDFXZRGK-GOSISDBHSA-N 1 2 386.542 5.226 50 0 GKAALO COc1ccc([C@H]2CCC[N@H+]2Cc2csc(-c3ccsc3)n2)c(OC)c1 ZINC000032759690 570795126 /nfs/dbraw/zinc/79/51/26/570795126.db2.gz NPDQYQUDFXZRGK-GOSISDBHSA-N 1 2 386.542 5.226 50 0 GKAALO Fc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3c4ccccc4[nH+]c3N2)cc1 ZINC000101221702 570817969 /nfs/dbraw/zinc/81/79/69/570817969.db2.gz FRISTXGCCPNUIS-PZJWPPBQSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1ccc(Nc2nn(C[N@@H+]3CCC[C@@H]3c3cccs3)c(=S)s2)cc1 ZINC000014188793 570827509 /nfs/dbraw/zinc/82/75/09/570827509.db2.gz JFJJNXIMYVYTMO-CQSZACIVSA-N 1 2 392.550 5.413 50 0 GKAALO Fc1ccc(Nc2nn(C[N@H+]3CCC[C@@H]3c3cccs3)c(=S)s2)cc1 ZINC000014188793 570827510 /nfs/dbraw/zinc/82/75/10/570827510.db2.gz JFJJNXIMYVYTMO-CQSZACIVSA-N 1 2 392.550 5.413 50 0 GKAALO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2c2cccs2)cs1)c1ccccc1 ZINC000007362743 570833923 /nfs/dbraw/zinc/83/39/23/570833923.db2.gz DPIUHXJUYWVTGL-GOSISDBHSA-N 1 2 383.542 5.226 50 0 GKAALO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2c2cccs2)cs1)c1ccccc1 ZINC000007362743 570833926 /nfs/dbraw/zinc/83/39/26/570833926.db2.gz DPIUHXJUYWVTGL-GOSISDBHSA-N 1 2 383.542 5.226 50 0 GKAALO C[C@H](Nc1nc(-c2cccs2)nc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012546513 570847957 /nfs/dbraw/zinc/84/79/57/570847957.db2.gz DCIPWJSJJHKCIB-INIZCTEOSA-N 1 2 397.507 5.717 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)c(Cl)c1 ZINC000012564878 570869786 /nfs/dbraw/zinc/86/97/86/570869786.db2.gz KGTLJUSNTOPWGT-UHFFFAOYSA-N 1 2 399.966 5.018 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCCC2)c(Cl)c1 ZINC000012564878 570869790 /nfs/dbraw/zinc/86/97/90/570869790.db2.gz KGTLJUSNTOPWGT-UHFFFAOYSA-N 1 2 399.966 5.018 50 0 GKAALO Clc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c1 ZINC000015077055 570878995 /nfs/dbraw/zinc/87/89/95/570878995.db2.gz RTLQLTJRPOQCBA-HSZRJFAPSA-N 1 2 390.918 5.056 50 0 GKAALO Clc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c1 ZINC000015077055 570878998 /nfs/dbraw/zinc/87/89/98/570878998.db2.gz RTLQLTJRPOQCBA-HSZRJFAPSA-N 1 2 390.918 5.056 50 0 GKAALO CCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658677 570881805 /nfs/dbraw/zinc/88/18/05/570881805.db2.gz FYYPULSILLMOJA-UHFFFAOYSA-N 1 2 377.488 6.119 50 0 GKAALO CC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658701 570881888 /nfs/dbraw/zinc/88/18/88/570881888.db2.gz WHVSTKUUXRCMKP-OAHLLOKOSA-N 1 2 391.471 5.296 50 0 GKAALO Cc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1Oc1cc[nH+]cc1 ZINC000170627081 570883039 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Cc1ccn2c(c1)[nH+]c(-c1ccc(Cl)cc1)c2Nc1ccc2c(c1)OCCO2 ZINC000004733614 204070691 /nfs/dbraw/zinc/07/06/91/204070691.db2.gz CYBJNMSFEHIANT-UHFFFAOYSA-N 1 2 391.858 5.478 50 0 GKAALO Cc1cccc2[nH+]c(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000004733658 204071386 /nfs/dbraw/zinc/07/13/86/204071386.db2.gz CVIWCAOCBJXMCL-UHFFFAOYSA-N 1 2 397.887 5.539 50 0 aggregator GKAALO CC(C)(C)c1ccc(Cn2c3ccccc3[nH+]c2NCc2cccs2)cc1 ZINC000004562529 204053090 /nfs/dbraw/zinc/05/30/90/204053090.db2.gz WNIQQDVKWSBZEY-UHFFFAOYSA-N 1 2 375.541 6.056 50 0 GKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc12 ZINC000004563111 204053830 /nfs/dbraw/zinc/05/38/30/204053830.db2.gz WOYZAAGZBYZRKL-UHFFFAOYSA-N 1 2 393.918 5.368 50 0 GKAALO Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc(Br)cc3)[nH+]c12 ZINC000004678383 204063029 /nfs/dbraw/zinc/06/30/29/204063029.db2.gz NCIMMJCTYLQSRM-UHFFFAOYSA-N 1 2 386.680 5.423 50 0 GKAALO Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc(Cl)c(Cl)c3)[nH+]c21 ZINC000004678536 204063557 /nfs/dbraw/zinc/06/35/57/204063557.db2.gz OVFVOVLYGDQDEC-UHFFFAOYSA-N 1 2 376.674 5.967 50 0 GKAALO Cc1ccc(C(C)C)c(OCCCCn2c(CCCO)[nH+]c3ccccc32)c1 ZINC000005234766 204120389 /nfs/dbraw/zinc/12/03/89/204120389.db2.gz QJLWFJNUNRLZHW-UHFFFAOYSA-N 1 2 380.532 5.252 50 0 GKAALO O=C(Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000005072627 204109383 /nfs/dbraw/zinc/10/93/83/204109383.db2.gz GKQCCQHNHYAGLK-UHFFFAOYSA-N 1 2 389.421 5.046 50 0 GKAALO Cc1ccc(C)c(SCC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC000006025223 204161920 /nfs/dbraw/zinc/16/19/20/204161920.db2.gz RCPPSDMISOABHO-UHFFFAOYSA-N 1 2 379.529 5.110 50 0 GKAALO COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005461350 204135265 /nfs/dbraw/zinc/13/52/65/204135265.db2.gz CIEUYUDBXOOBHQ-RBBKRZOGSA-N 1 2 389.886 5.845 50 0 GKAALO CC(C)CN(Cc1[nH+]ccn1Cc1ccccc1Cl)C(=O)c1ccc(F)cc1 ZINC000006696876 204191641 /nfs/dbraw/zinc/19/16/41/204191641.db2.gz ZBGIJEKEYCXIFZ-UHFFFAOYSA-N 1 2 399.897 5.022 50 0 GKAALO O=C(CN(c1cccc(C(F)(F)F)c1)C1=[NH+]CCCCC1)c1cccs1 ZINC000008418296 204276285 /nfs/dbraw/zinc/27/62/85/204276285.db2.gz LJXIJTLBINJMCE-UHFFFAOYSA-N 1 2 380.435 5.429 50 0 GKAALO Cc1ccccc1[C@@H](CC(=O)Nc1ccc(F)cc1)c1c[nH+]c2n1CCC[C@H]2C ZINC000034921193 204981277 /nfs/dbraw/zinc/98/12/77/204981277.db2.gz FLXFGFRNMWHSOO-DYESRHJHSA-N 1 2 391.490 5.389 50 0 GKAALO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)c1OC ZINC000036347952 205012764 /nfs/dbraw/zinc/01/27/64/205012764.db2.gz IQDHCLSEXGLAAN-QFIPXVFZSA-N 1 2 396.918 5.154 50 0 GKAALO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)c1OC ZINC000036347952 205012768 /nfs/dbraw/zinc/01/27/68/205012768.db2.gz IQDHCLSEXGLAAN-QFIPXVFZSA-N 1 2 396.918 5.154 50 0 GKAALO COc1cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000036347444 205012931 /nfs/dbraw/zinc/01/29/31/205012931.db2.gz UDFBRQVPNIXXGH-QHCPKHFHSA-N 1 2 396.918 5.154 50 0 GKAALO COc1cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000036347444 205012934 /nfs/dbraw/zinc/01/29/34/205012934.db2.gz UDFBRQVPNIXXGH-QHCPKHFHSA-N 1 2 396.918 5.154 50 0 GKAALO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(Cl)cc2)cc1OC ZINC000036347669 205013432 /nfs/dbraw/zinc/01/34/32/205013432.db2.gz FZUSFYWMVUQGJW-QHCPKHFHSA-N 1 2 396.918 5.154 50 0 GKAALO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1OC ZINC000036347669 205013436 /nfs/dbraw/zinc/01/34/36/205013436.db2.gz FZUSFYWMVUQGJW-QHCPKHFHSA-N 1 2 396.918 5.154 50 0 GKAALO CC[C@@H](C(=O)NC(C)C)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037398348 205025547 /nfs/dbraw/zinc/02/55/47/205025547.db2.gz AZZHQUBHAAGRAJ-FQEVSTJZSA-N 1 2 397.950 5.373 50 0 GKAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000048262145 205115987 /nfs/dbraw/zinc/11/59/87/205115987.db2.gz SGOMPJDTSTZMBL-NRFANRHFSA-N 1 2 378.472 5.004 50 0 GKAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000048262145 205115993 /nfs/dbraw/zinc/11/59/93/205115993.db2.gz SGOMPJDTSTZMBL-NRFANRHFSA-N 1 2 378.472 5.004 50 0 GKAALO C[C@H](Nc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(F)cc21)c1ccccc1 ZINC000067288503 205244094 /nfs/dbraw/zinc/24/40/94/205244094.db2.gz GERJPTUJINOYDC-INIZCTEOSA-N 1 2 377.463 5.173 50 0 GKAALO Cc1cccc2cc(C[N@@H+](C)Cc3nncn3C(C)C)c(-c3cccs3)nc12 ZINC000072429168 205351375 /nfs/dbraw/zinc/35/13/75/205351375.db2.gz VCSFYZTWPAQSKI-UHFFFAOYSA-N 1 2 391.544 5.076 50 0 GKAALO Cc1cccc2cc(C[N@H+](C)Cc3nncn3C(C)C)c(-c3cccs3)nc12 ZINC000072429168 205351376 /nfs/dbraw/zinc/35/13/76/205351376.db2.gz VCSFYZTWPAQSKI-UHFFFAOYSA-N 1 2 391.544 5.076 50 0 GKAALO CC(C)n1ncc2cc(CNc3[nH+]cccc3O[C@@H](C)c3ccccc3)cnc21 ZINC000170596931 205849694 /nfs/dbraw/zinc/84/96/94/205849694.db2.gz ADBDINMFKNMTOM-KRWDZBQOSA-N 1 2 387.487 5.159 50 0 GKAALO CCc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)cc1 ZINC000028273808 206042387 /nfs/dbraw/zinc/04/23/87/206042387.db2.gz BUPMWLBYIDRRRD-UHFFFAOYSA-N 1 2 387.508 5.441 50 0 GKAALO CCn1c(C2CC2)nn(C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000095947332 211285467 /nfs/dbraw/zinc/28/54/67/211285467.db2.gz BGIKFIKREVHLRV-FQEVSTJZSA-N 1 2 396.535 5.129 50 0 GKAALO CCn1c(C2CC2)nn(C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000095947332 211285473 /nfs/dbraw/zinc/28/54/73/211285473.db2.gz BGIKFIKREVHLRV-FQEVSTJZSA-N 1 2 396.535 5.129 50 0 GKAALO Cc1ccc(-c2nn(C[NH+]3CCC(Cc4ccccc4)CC3)c(=S)o2)cc1 ZINC000089642572 211180993 /nfs/dbraw/zinc/18/09/93/211180993.db2.gz IWUQNGIXGCWOKA-UHFFFAOYSA-N 1 2 379.529 5.093 50 0 GKAALO Cc1ccc(-c2nn(C[NH+]3CCC(Cc4ccccc4)CC3)c(=S)o2)cc1C ZINC000089643328 211180936 /nfs/dbraw/zinc/18/09/36/211180936.db2.gz XEBHEORVBSXTCM-UHFFFAOYSA-N 1 2 393.556 5.402 50 0 GKAALO CSc1nnc(C[N@H+](Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)s1 ZINC000089632283 211182268 /nfs/dbraw/zinc/18/22/68/211182268.db2.gz DCZHJEBKOZNZFY-IBGZPJMESA-N 1 2 381.570 5.258 50 0 GKAALO CSc1nnc(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)s1 ZINC000089632283 211182272 /nfs/dbraw/zinc/18/22/72/211182272.db2.gz DCZHJEBKOZNZFY-IBGZPJMESA-N 1 2 381.570 5.258 50 0 GKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1ccc(C)cc1 ZINC000072328520 211092332 /nfs/dbraw/zinc/09/23/32/211092332.db2.gz WOBCLIUERNVHLD-UHFFFAOYSA-N 1 2 381.907 5.291 50 0 GKAALO Cc1ccc(-n2cc(C[N@@H+](C)[C@@H](C)c3ccon3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015074352 207045783 /nfs/dbraw/zinc/04/57/83/207045783.db2.gz CMVDFWYNLSPDRT-KRWDZBQOSA-N 1 2 390.462 5.168 50 0 GKAALO Cc1ccc(-n2cc(C[N@H+](C)[C@@H](C)c3ccon3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015074352 207045787 /nfs/dbraw/zinc/04/57/87/207045787.db2.gz CMVDFWYNLSPDRT-KRWDZBQOSA-N 1 2 390.462 5.168 50 0 GKAALO Cc1ccc(-n2cc(C[N@H+](C)Cc3nccs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015074722 207045888 /nfs/dbraw/zinc/04/58/88/207045888.db2.gz SMCXDDWICJPEPX-UHFFFAOYSA-N 1 2 392.503 5.075 50 0 GKAALO Cc1ccc(-n2cc(C[N@@H+](C)Cc3nccs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015074722 207045891 /nfs/dbraw/zinc/04/58/91/207045891.db2.gz SMCXDDWICJPEPX-UHFFFAOYSA-N 1 2 392.503 5.075 50 0 GKAALO Cc1ccc(C(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1F ZINC000015863712 207065596 /nfs/dbraw/zinc/06/55/96/207065596.db2.gz XDTADONXCTXRPO-UHFFFAOYSA-N 1 2 387.458 5.058 50 0 GKAALO Cc1cc(C)cc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000016903721 207080179 /nfs/dbraw/zinc/08/01/79/207080179.db2.gz KHCKEYPONCQUPM-HXUWFJFHSA-N 1 2 378.516 5.141 50 0 GKAALO Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c(C)c1 ZINC000016903707 207080741 /nfs/dbraw/zinc/08/07/41/207080741.db2.gz DAFCTCQQKKTRRD-HXUWFJFHSA-N 1 2 378.516 5.141 50 0 GKAALO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)c1 ZINC000019326722 207114646 /nfs/dbraw/zinc/11/46/46/207114646.db2.gz FZEDWRHWDFUZCG-VWLOTQADSA-N 1 2 392.493 5.680 50 0 GKAALO Cc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)c1 ZINC000019326722 207114651 /nfs/dbraw/zinc/11/46/51/207114651.db2.gz FZEDWRHWDFUZCG-VWLOTQADSA-N 1 2 392.493 5.680 50 0 GKAALO COc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cccc(O)c2)c1 ZINC000019795039 207163043 /nfs/dbraw/zinc/16/30/43/207163043.db2.gz SMFHGHUHKGJYSZ-VWLOTQADSA-N 1 2 384.479 5.030 50 0 GKAALO COc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cccc(O)c2)c1 ZINC000019795039 207163047 /nfs/dbraw/zinc/16/30/47/207163047.db2.gz SMFHGHUHKGJYSZ-VWLOTQADSA-N 1 2 384.479 5.030 50 0 GKAALO Clc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCn1cccn1 ZINC000019835441 207164828 /nfs/dbraw/zinc/16/48/28/207164828.db2.gz PIQAXVNNAWKYRJ-HSZRJFAPSA-N 1 2 390.918 5.056 50 0 GKAALO Clc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCCn1cccn1 ZINC000019835441 207164833 /nfs/dbraw/zinc/16/48/33/207164833.db2.gz PIQAXVNNAWKYRJ-HSZRJFAPSA-N 1 2 390.918 5.056 50 0 GKAALO Cc1ccc(-c2csc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000019924696 207170582 /nfs/dbraw/zinc/17/05/82/207170582.db2.gz KVJLKYWPXMYOBV-UHFFFAOYSA-N 1 2 383.948 5.094 50 0 GKAALO COc1ccc([C@@H]([NH2+]Cc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000020133010 207179393 /nfs/dbraw/zinc/17/93/93/207179393.db2.gz NVAZWNPSBBFNAO-NRFANRHFSA-N 1 2 391.448 5.527 50 0 GKAALO Fc1ccccc1[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCc2ccccc2C1 ZINC000020988721 207222992 /nfs/dbraw/zinc/22/29/92/207222992.db2.gz OOUBMTKREYBBFU-QFIPXVFZSA-N 1 2 385.442 5.023 50 0 GKAALO Fc1ccccc1[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCc2ccccc2C1 ZINC000020988721 207222995 /nfs/dbraw/zinc/22/29/95/207222995.db2.gz OOUBMTKREYBBFU-QFIPXVFZSA-N 1 2 385.442 5.023 50 0 GKAALO Fc1ccccc1[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCc2ccccc2C1 ZINC000020988718 207223228 /nfs/dbraw/zinc/22/32/28/207223228.db2.gz OOUBMTKREYBBFU-JOCHJYFZSA-N 1 2 385.442 5.023 50 0 GKAALO Fc1ccccc1[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCc2ccccc2C1 ZINC000020988718 207223233 /nfs/dbraw/zinc/22/32/33/207223233.db2.gz OOUBMTKREYBBFU-JOCHJYFZSA-N 1 2 385.442 5.023 50 0 GKAALO CCc1ccc(NC(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)cc1 ZINC000021357581 207229750 /nfs/dbraw/zinc/22/97/50/207229750.db2.gz IMNASNJCGSBLKL-UHFFFAOYSA-N 1 2 384.483 5.555 50 0 GKAALO COc1ccc(NC(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)cc1 ZINC000021357621 207229920 /nfs/dbraw/zinc/22/99/20/207229920.db2.gz FVRTWWXCEYYNDF-UHFFFAOYSA-N 1 2 386.455 5.001 50 0 GKAALO Cc1ccc(NC(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1C ZINC000021704859 207235145 /nfs/dbraw/zinc/23/51/45/207235145.db2.gz NTJIKTBVJNJXFF-UHFFFAOYSA-N 1 2 398.510 5.619 50 0 GKAALO c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000026312225 207311621 /nfs/dbraw/zinc/31/16/21/207311621.db2.gz UKPKDLBQCACPFC-HSZRJFAPSA-N 1 2 397.503 5.831 50 0 GKAALO CSc1cccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2ccc(F)cc2)c1 ZINC000032960507 207425105 /nfs/dbraw/zinc/42/51/05/207425105.db2.gz TYIVYXGQDSSHFQ-UHFFFAOYSA-N 1 2 378.476 5.642 50 0 GKAALO CC(C)Sc1ncccc1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000054135852 207725191 /nfs/dbraw/zinc/72/51/91/207725191.db2.gz DTCWXYNCCNKQAV-UHFFFAOYSA-N 1 2 392.528 5.034 50 0 GKAALO c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000026312221 210493668 /nfs/dbraw/zinc/49/36/68/210493668.db2.gz UKPKDLBQCACPFC-QHCPKHFHSA-N 1 2 397.503 5.831 50 0 GKAALO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000096851354 208324912 /nfs/dbraw/zinc/32/49/12/208324912.db2.gz YUFZISOKYZBQCS-PVGDTAGZSA-N 1 2 392.462 5.090 50 0 GKAALO CCn1c2ccccc2[nH+]c1NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000020867615 210365300 /nfs/dbraw/zinc/36/53/00/210365300.db2.gz HYQKTGJEDHBOJB-UHFFFAOYSA-N 1 2 399.523 5.583 50 0 GKAALO CC(C)(C)c1cc([C@@H](c2cccs2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000019790510 210294686 /nfs/dbraw/zinc/29/46/86/210294686.db2.gz LSOCBNJQMCEICU-FQEVSTJZSA-N 1 2 387.589 5.470 50 0 GKAALO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014077424 209006277 /nfs/dbraw/zinc/00/62/77/209006277.db2.gz ARTNTPKRLLQXKM-QUCCMNQESA-N 1 2 390.449 5.258 50 0 GKAALO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014077424 209006279 /nfs/dbraw/zinc/00/62/79/209006279.db2.gz ARTNTPKRLLQXKM-QUCCMNQESA-N 1 2 390.449 5.258 50 0 GKAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000007878307 221015142 /nfs/dbraw/zinc/01/51/42/221015142.db2.gz NIXBVOMWRIAXFJ-INIZCTEOSA-N 1 2 378.497 5.098 50 0 GKAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000007878307 221015145 /nfs/dbraw/zinc/01/51/45/221015145.db2.gz NIXBVOMWRIAXFJ-INIZCTEOSA-N 1 2 378.497 5.098 50 0 GKAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008158067 221028982 /nfs/dbraw/zinc/02/89/82/221028982.db2.gz RHCKMBAMMKDKAI-HNNXBMFYSA-N 1 2 384.932 5.528 50 0 GKAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008158067 221028987 /nfs/dbraw/zinc/02/89/87/221028987.db2.gz RHCKMBAMMKDKAI-HNNXBMFYSA-N 1 2 384.932 5.528 50 0 GKAALO CCc1cccc(C)c1NC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007989850 221021451 /nfs/dbraw/zinc/02/14/51/221021451.db2.gz RHGPOXPJNTWJNA-UHFFFAOYSA-N 1 2 398.510 5.158 50 0 GKAALO Cc1ccc(C[NH2+][C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000009683261 221088683 /nfs/dbraw/zinc/08/86/83/221088683.db2.gz BZDDXKGAOYDWFX-OAQYLSRUSA-N 1 2 389.886 5.578 50 0 GKAALO Cc1cc(C)cc(NC(=O)[C@@H](Nc2ccc([NH+]3CCCC3)cc2)c2ccccc2)c1 ZINC000012525719 221200980 /nfs/dbraw/zinc/20/09/80/221200980.db2.gz BYRIAVBCLNBPBP-VWLOTQADSA-N 1 2 399.538 5.696 50 0 GKAALO CC(C)(C)c1[nH]c2ccc(NC(=O)c3ccc(F)cc3Br)cc2[nH+]1 ZINC000012519864 221201473 /nfs/dbraw/zinc/20/14/73/221201473.db2.gz YBEBLNYHDMTYML-UHFFFAOYSA-N 1 2 390.256 5.014 50 0 GKAALO C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000012797291 221233644 /nfs/dbraw/zinc/23/36/44/221233644.db2.gz MJXOLLLKTWLCCC-LBPRGKRZSA-N 1 2 399.903 5.091 50 0 GKAALO C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000012797291 221233648 /nfs/dbraw/zinc/23/36/48/221233648.db2.gz MJXOLLLKTWLCCC-LBPRGKRZSA-N 1 2 399.903 5.091 50 0 GKAALO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012918034 221245965 /nfs/dbraw/zinc/24/59/65/221245965.db2.gz AMYCGADOGKMWGQ-LJQANCHMSA-N 1 2 399.893 5.018 50 0 GKAALO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012918034 221245966 /nfs/dbraw/zinc/24/59/66/221245966.db2.gz AMYCGADOGKMWGQ-LJQANCHMSA-N 1 2 399.893 5.018 50 0 GKAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1cccc(Cl)c1 ZINC000012919361 221245895 /nfs/dbraw/zinc/24/58/95/221245895.db2.gz VNUFURWAAYSCDL-LJQANCHMSA-N 1 2 388.945 5.049 50 0 GKAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1cccc(Cl)c1 ZINC000012919361 221245896 /nfs/dbraw/zinc/24/58/96/221245896.db2.gz VNUFURWAAYSCDL-LJQANCHMSA-N 1 2 388.945 5.049 50 0 GKAALO COc1ccc(-c2nc(C[N@@H+]3CCn4cccc4[C@H]3C)c(C)o2)c2ccccc12 ZINC000015063979 221327857 /nfs/dbraw/zinc/32/78/57/221327857.db2.gz BDCAXJSUCWASML-MRXNPFEDSA-N 1 2 387.483 5.190 50 0 GKAALO COc1ccc(-c2nc(C[N@H+]3CCn4cccc4[C@H]3C)c(C)o2)c2ccccc12 ZINC000015063979 221327858 /nfs/dbraw/zinc/32/78/58/221327858.db2.gz BDCAXJSUCWASML-MRXNPFEDSA-N 1 2 387.483 5.190 50 0 GKAALO Cn1c2ccc(NC(=O)c3ccccc3Cl)cc2[nH+]c1CCc1ccccc1 ZINC000015863836 221349914 /nfs/dbraw/zinc/34/99/14/221349914.db2.gz SCHBZOMWWFNUQC-UHFFFAOYSA-N 1 2 389.886 5.264 50 0 GKAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000019879409 221461407 /nfs/dbraw/zinc/46/14/07/221461407.db2.gz IRADSKWXOJBRMS-NRFANRHFSA-N 1 2 392.300 5.835 50 0 GKAALO C[N@H+](CC(=O)N1c2ccccc2Sc2ccccc21)Cc1cccc(F)c1 ZINC000003325566 136193543 /nfs/dbraw/zinc/19/35/43/136193543.db2.gz PICYMBGFCQEZMB-UHFFFAOYSA-N 1 2 378.472 5.087 50 0 GKAALO C[N@@H+](CC(=O)N1c2ccccc2Sc2ccccc21)Cc1cccc(F)c1 ZINC000003325566 136193544 /nfs/dbraw/zinc/19/35/44/136193544.db2.gz PICYMBGFCQEZMB-UHFFFAOYSA-N 1 2 378.472 5.087 50 0 GKAALO CCOP(=O)(OCC)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[NH+](C)C ZINC000055439793 222023171 /nfs/dbraw/zinc/02/31/71/222023171.db2.gz BGCGCVNIFCOSJW-LJQANCHMSA-N 1 2 399.512 5.814 50 0 biogenic GKAALO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1F ZINC000097205949 534234793 /nfs/dbraw/zinc/23/47/93/534234793.db2.gz NSMBQKRYFJELLM-OLZOCXBDSA-N 1 2 393.384 5.615 50 0 GKAALO CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3sccc3C)ccc2[nH+]1 ZINC000004757357 520875969 /nfs/dbraw/zinc/87/59/69/520875969.db2.gz MPFSPEVKPDUGCS-MDZDMXLPSA-N 1 2 379.529 5.411 50 0 GKAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000012420657 560212029 /nfs/dbraw/zinc/21/20/29/560212029.db2.gz MAPYRMBCXVPHDO-VWLOTQADSA-N 1 2 386.470 5.463 50 0 biogenic,in-vitro GKAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000012420657 560212030 /nfs/dbraw/zinc/21/20/30/560212030.db2.gz MAPYRMBCXVPHDO-VWLOTQADSA-N 1 2 386.470 5.463 50 0 biogenic,in-vitro GKAALO CCC(C)(C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022624260 570209860 /nfs/dbraw/zinc/20/98/60/570209860.db2.gz YFLMBJJTCWZAKA-OAQYLSRUSA-N 1 2 384.951 5.010 50 0 GKAALO CCC(C)(C)C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022624258 570209887 /nfs/dbraw/zinc/20/98/87/570209887.db2.gz YFLMBJJTCWZAKA-NRFANRHFSA-N 1 2 384.951 5.010 50 0 GKAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000048262143 570224538 /nfs/dbraw/zinc/22/45/38/570224538.db2.gz SGOMPJDTSTZMBL-OAQYLSRUSA-N 1 2 378.472 5.004 50 0 GKAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000048262143 570224541 /nfs/dbraw/zinc/22/45/41/570224541.db2.gz SGOMPJDTSTZMBL-OAQYLSRUSA-N 1 2 378.472 5.004 50 0 GKAALO Cc1ccc(C)c2c(OCC(=O)N(c3ccccc3)C3CCCCC3)cc[nH+]c12 ZINC000001028982 570235877 /nfs/dbraw/zinc/23/58/77/570235877.db2.gz XOVOCFMIXGNGLE-UHFFFAOYSA-N 1 2 388.511 5.596 50 0 GKAALO Clc1ccc(-c2noc(C[NH2+]C3(c4ccc(Cl)c(Cl)c4)CC3)n2)cc1 ZINC000048375225 570249120 /nfs/dbraw/zinc/24/91/20/570249120.db2.gz HBEQTMNCHYONKX-UHFFFAOYSA-N 1 2 394.689 5.476 50 0 GKAALO Clc1ccc(Cn2c3ccccc3[nH+]c2NCc2ccc3c(c2)OCO3)cc1 ZINC000001193829 570256984 /nfs/dbraw/zinc/25/69/84/570256984.db2.gz WJEKJBIUGXEQDW-UHFFFAOYSA-N 1 2 391.858 5.079 50 0 GKAALO Fc1cccc(-c2nnc([C@H]([NH2+]Cc3ccccc3)c3ccc(Cl)cc3)o2)c1 ZINC000020522701 570265472 /nfs/dbraw/zinc/26/54/72/570265472.db2.gz GTTDYAQWNKYNPB-HXUWFJFHSA-N 1 2 393.849 5.408 50 0 GKAALO O=C(c1ccccc1)C1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012905776 570289885 /nfs/dbraw/zinc/28/98/85/570289885.db2.gz KWBORQHQUYHGGJ-UHFFFAOYSA-N 1 2 380.875 5.090 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)c(Cl)c1 ZINC000012916138 570293038 /nfs/dbraw/zinc/29/30/38/570293038.db2.gz JQNUWWHSNJUQPK-AWEZNQCLSA-N 1 2 387.936 5.198 50 0 GKAALO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)c(Cl)c1 ZINC000012916138 570293042 /nfs/dbraw/zinc/29/30/42/570293042.db2.gz JQNUWWHSNJUQPK-AWEZNQCLSA-N 1 2 387.936 5.198 50 0 GKAALO Cn1c(=S)n(C[N@@H+]2CCC[C@@H]2c2ccccc2)nc1-c1ccccc1Cl ZINC000012924599 570296151 /nfs/dbraw/zinc/29/61/51/570296151.db2.gz OILQRYUVBXLNSX-GOSISDBHSA-N 1 2 384.936 5.066 50 0 GKAALO Cn1c(=S)n(C[N@H+]2CCC[C@@H]2c2ccccc2)nc1-c1ccccc1Cl ZINC000012924599 570296152 /nfs/dbraw/zinc/29/61/52/570296152.db2.gz OILQRYUVBXLNSX-GOSISDBHSA-N 1 2 384.936 5.066 50 0 GKAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928332 570298610 /nfs/dbraw/zinc/29/86/10/570298610.db2.gz OMRZDQAZNIMESF-KRWDZBQOSA-N 1 2 393.314 5.086 50 0 GKAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928332 570298612 /nfs/dbraw/zinc/29/86/12/570298612.db2.gz OMRZDQAZNIMESF-KRWDZBQOSA-N 1 2 393.314 5.086 50 0 GKAALO C(\c1ccccc1)=C1\CCC[C@H]2C1=[NH+]c1ccccc1S[C@@H]2c1ccccc1 ZINC000004844199 570329457 /nfs/dbraw/zinc/32/94/57/570329457.db2.gz UZGHVXQHRUPJIO-FRFAPOFNSA-N 1 2 381.544 7.490 50 0 GKAALO O=C(NCCCNc1[nH+]c2ccccc2n1C1CCCCC1)C1CCCCC1 ZINC000034906823 570339504 /nfs/dbraw/zinc/33/95/04/570339504.db2.gz LNFRMDVKMKZVDF-UHFFFAOYSA-N 1 2 382.552 5.040 50 0 GKAALO CCSc1ccccc1C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575619851 570368488 /nfs/dbraw/zinc/36/84/88/570368488.db2.gz MRNRSFOSBOAMLR-UHFFFAOYSA-N 1 2 377.513 5.251 50 0 GKAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000575620460 570369272 /nfs/dbraw/zinc/36/92/72/570369272.db2.gz RFFYXGHJCVXZPL-UHFFFAOYSA-N 1 2 385.389 5.158 50 0 GKAALO Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)[nH+]c3ccc(C)cn32)cc1 ZINC000004921885 570369606 /nfs/dbraw/zinc/36/96/06/570369606.db2.gz NVGSCEYOBSYCAW-UHFFFAOYSA-N 1 2 398.510 5.198 50 0 GKAALO Cc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)cc1C ZINC000023882670 570374775 /nfs/dbraw/zinc/37/47/75/570374775.db2.gz JPJSLCKKJGKOIE-UHFFFAOYSA-N 1 2 387.508 5.496 50 0 GKAALO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1 ZINC000023956108 570375787 /nfs/dbraw/zinc/37/57/87/570375787.db2.gz UPFCETRJPVBKGT-UPVQGACJSA-N 1 2 382.463 5.205 50 0 GKAALO Cc1cc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3nc4ccccc4s3)o2)c(C)o1 ZINC000023957146 570375799 /nfs/dbraw/zinc/37/57/99/570375799.db2.gz LVVRWKJGRLPIBI-QGZVFWFLSA-N 1 2 394.500 5.283 50 0 GKAALO Cc1cc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3nc4ccccc4s3)o2)c(C)o1 ZINC000023957146 570375800 /nfs/dbraw/zinc/37/58/00/570375800.db2.gz LVVRWKJGRLPIBI-QGZVFWFLSA-N 1 2 394.500 5.283 50 0 GKAALO Cc1cc(-c2nnc(C[N@@H+]3CCc4sccc4[C@@H]3c3cccs3)o2)c(C)o1 ZINC000023968747 570375832 /nfs/dbraw/zinc/37/58/32/570375832.db2.gz GLKGSUWULHWYMV-LJQANCHMSA-N 1 2 397.525 5.217 50 0 GKAALO Cc1cc(-c2nnc(C[N@H+]3CCc4sccc4[C@@H]3c3cccs3)o2)c(C)o1 ZINC000023968747 570375833 /nfs/dbraw/zinc/37/58/33/570375833.db2.gz GLKGSUWULHWYMV-LJQANCHMSA-N 1 2 397.525 5.217 50 0 GKAALO COc1ccccc1-c1nc2c(c3[nH+]c4ccccc4n31)Cc1ccccc1O2 ZINC000004551776 570383671 /nfs/dbraw/zinc/38/36/71/570383671.db2.gz BCJUQDZTWKDJDC-UHFFFAOYSA-N 1 2 379.419 5.255 50 0 GKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)[C@@H](C)Oc4ccccc4)cc3)[nH+]c2c1 ZINC000032961002 570397748 /nfs/dbraw/zinc/39/77/48/570397748.db2.gz SXOFZEPEBGPJEG-GOSISDBHSA-N 1 2 399.494 5.063 50 0 GKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)[C@@H](C)Oc4ccccc4)cc3)[nH]c2c1 ZINC000032961002 570397749 /nfs/dbraw/zinc/39/77/49/570397749.db2.gz SXOFZEPEBGPJEG-GOSISDBHSA-N 1 2 399.494 5.063 50 0 GKAALO Cc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000004742046 570401332 /nfs/dbraw/zinc/40/13/32/570401332.db2.gz STHCGCAHWBHWTK-QHCPKHFHSA-N 1 2 394.478 5.272 50 0 GKAALO COc1cc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(C(C)C)cc2)ccc1O ZINC000035622667 570404191 /nfs/dbraw/zinc/40/41/91/570404191.db2.gz DJFFZPDDIHGWGU-UHFFFAOYSA-N 1 2 387.483 5.891 50 0 GKAALO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025946953 570421246 /nfs/dbraw/zinc/42/12/46/570421246.db2.gz NTOBJIYXBLUDGV-OAHLLOKOSA-N 1 2 383.442 5.087 50 0 GKAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccc(C)c(Br)c1 ZINC000001777764 570423180 /nfs/dbraw/zinc/42/31/80/570423180.db2.gz NHLPMTRIISHDNZ-UHFFFAOYSA-N 1 2 399.288 5.534 50 0 GKAALO CCOc1ccc(-c2nc(CSc3[nH+]cc4ccccn43)cs2)cc1OC ZINC000026372555 570425063 /nfs/dbraw/zinc/42/50/63/570425063.db2.gz BTBPUZRBZAEUGV-UHFFFAOYSA-N 1 2 397.525 5.157 50 0 GKAALO CCc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1 ZINC000032953731 570433699 /nfs/dbraw/zinc/43/36/99/570433699.db2.gz MQXLRJNTEILXPL-UHFFFAOYSA-N 1 2 388.515 5.740 50 0 GKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12 ZINC000032953733 570433933 /nfs/dbraw/zinc/43/39/33/570433933.db2.gz UJLRUJNSVPRPFO-UHFFFAOYSA-N 1 2 394.906 5.831 50 0 GKAALO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000011051021 570470841 /nfs/dbraw/zinc/47/08/41/570470841.db2.gz JTHSIWNKRJGDMV-INIZCTEOSA-N 1 2 381.526 5.658 50 0 GKAALO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000011051021 570470843 /nfs/dbraw/zinc/47/08/43/570470843.db2.gz JTHSIWNKRJGDMV-INIZCTEOSA-N 1 2 381.526 5.658 50 0 GKAALO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000011051020 570470876 /nfs/dbraw/zinc/47/08/76/570470876.db2.gz JTHSIWNKRJGDMV-MRXNPFEDSA-N 1 2 381.526 5.658 50 0 GKAALO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000011051020 570470877 /nfs/dbraw/zinc/47/08/77/570470877.db2.gz JTHSIWNKRJGDMV-MRXNPFEDSA-N 1 2 381.526 5.658 50 0 GKAALO COc1ccc(C2=CN(CC(=O)c3ccc(Cl)cc3)C3=CCCCC[N@H+]23)cc1 ZINC000002028574 570489312 /nfs/dbraw/zinc/48/93/12/570489312.db2.gz LESFLMWPFCDJQS-UHFFFAOYSA-N 1 2 394.902 5.173 50 0 GKAALO COc1ccc(C2=CN(CC(=O)c3ccc(Cl)cc3)C3=CCCCC[N@@H+]23)cc1 ZINC000002028574 570489317 /nfs/dbraw/zinc/48/93/17/570489317.db2.gz LESFLMWPFCDJQS-UHFFFAOYSA-N 1 2 394.902 5.173 50 0 GKAALO Cn1ccnc1[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)s1)c1ccccc1 ZINC000030642901 570492772 /nfs/dbraw/zinc/49/27/72/570492772.db2.gz RRJDOYOFNAYZBY-OAQYLSRUSA-N 1 2 377.488 5.167 50 0 GKAALO CC(C)N(C(=O)Cn1c(CCc2ccccc2)[nH+]c2ccccc21)c1ccccc1 ZINC000005209995 570507339 /nfs/dbraw/zinc/50/73/39/570507339.db2.gz PAEKMJMOHMNHKF-UHFFFAOYSA-N 1 2 397.522 5.263 50 0 GKAALO COc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002714132 570509286 /nfs/dbraw/zinc/50/92/86/570509286.db2.gz YUTLDFHUXRTERC-UHFFFAOYSA-N 1 2 392.462 5.840 50 0 GKAALO Cc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 ZINC000002714023 570509345 /nfs/dbraw/zinc/50/93/45/570509345.db2.gz PHVHVZKEXSIORQ-UHFFFAOYSA-N 1 2 394.453 6.279 50 0 GKAALO C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006657741 570522074 /nfs/dbraw/zinc/52/20/74/570522074.db2.gz NWGXTANPSLKXIF-CYBMUJFWSA-N 1 2 381.888 5.231 50 0 GKAALO Cc1c(C)n(-c2ccc(F)cc2)c2nc[nH+]c(Nc3ccc(C)c(Cl)c3)c12 ZINC000032960502 570529684 /nfs/dbraw/zinc/52/96/84/570529684.db2.gz UZMMRQWKBUQAJZ-UHFFFAOYSA-N 1 2 380.854 5.882 50 0 GKAALO CCc1cccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cccc(Cl)c2)c1 ZINC000032960530 570529708 /nfs/dbraw/zinc/52/97/08/570529708.db2.gz PLPMRBXVFBWXLV-UHFFFAOYSA-N 1 2 376.891 5.997 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000032960803 570531359 /nfs/dbraw/zinc/53/13/59/570531359.db2.gz GIXFSPIMWMWVIH-UHFFFAOYSA-N 1 2 389.886 5.264 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000032960876 570531367 /nfs/dbraw/zinc/53/13/67/570531367.db2.gz DCCCJIAAQFKAQG-UHFFFAOYSA-N 1 2 389.886 5.264 50 0 GKAALO CCCn1c(CCc2ccc(NC(=O)c3cccc(C)c3)cc2)[nH+]c2ccccc21 ZINC000032961011 570532452 /nfs/dbraw/zinc/53/24/52/570532452.db2.gz LFIOYHXRVGMOIW-UHFFFAOYSA-N 1 2 397.522 5.792 50 0 GKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)c4ccccc4Cl)cc3)[nH+]c2c1 ZINC000032960977 570532541 /nfs/dbraw/zinc/53/25/41/570532541.db2.gz MIYIMGZXLQILIR-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)c4ccccc4Cl)cc3)[nH]c2c1 ZINC000032960977 570532544 /nfs/dbraw/zinc/53/25/44/570532544.db2.gz MIYIMGZXLQILIR-UHFFFAOYSA-N 1 2 389.886 5.562 50 0 GKAALO Cc1ccccc1Cn1cc[nH+]c1CN(C(=O)C1CCCC1)C1CCCCC1 ZINC000006689564 570532579 /nfs/dbraw/zinc/53/25/79/570532579.db2.gz VHVLXONZDDYOHC-UHFFFAOYSA-N 1 2 379.548 5.091 50 0 GKAALO CCCn1c(CCc2ccc(NC(=O)c3ccc(C)cc3)cc2)[nH+]c2ccccc21 ZINC000032961012 570532652 /nfs/dbraw/zinc/53/26/52/570532652.db2.gz RNPIWDKXZJQPRI-UHFFFAOYSA-N 1 2 397.522 5.792 50 0 GKAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(C(=O)c2ccc(Cl)cc2)C2CC2)c1 ZINC000006690380 570533327 /nfs/dbraw/zinc/53/33/27/570533327.db2.gz UISUJJXYXPCCEJ-UHFFFAOYSA-N 1 2 393.918 5.006 50 0 GKAALO Cc1ccccc1[C@H](CC(=O)Nc1ccc(F)cc1)c1c[nH+]c2n1CCC[C@@H]2C ZINC000034921191 570547727 /nfs/dbraw/zinc/54/77/27/570547727.db2.gz FLXFGFRNMWHSOO-UWJYYQICSA-N 1 2 391.490 5.389 50 0 GKAALO C[C@@H]1CCCn2c([C@@H](CC(=O)Nc3ccc(F)cc3)c3ccccc3F)c[nH+]c21 ZINC000034920110 570547741 /nfs/dbraw/zinc/54/77/41/570547741.db2.gz LALXUPSGTOTFEF-BEFAXECRSA-N 1 2 395.453 5.219 50 0 GKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476828 570553687 /nfs/dbraw/zinc/55/36/87/570553687.db2.gz QVPSCVKMSDTXGQ-JOCHJYFZSA-N 1 2 399.519 5.905 50 0 GKAALO COc1ccccc1Nc1c(-c2ccc(OC)c(OC)c2)[nH+]c2ccc(C)cn21 ZINC000035615995 570556352 /nfs/dbraw/zinc/55/63/52/570556352.db2.gz ZADYOWXDIAEGEQ-UHFFFAOYSA-N 1 2 389.455 5.079 50 0 GKAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000060265546 570571248 /nfs/dbraw/zinc/57/12/48/570571248.db2.gz DEIIMCPCBVQBTB-UHFFFAOYSA-N 1 2 376.309 5.284 50 0 GKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546890 570580857 /nfs/dbraw/zinc/58/08/57/570580857.db2.gz LAXYYMWPMRXRIQ-HXUWFJFHSA-N 1 2 389.480 5.498 50 0 GKAALO Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@H]1c1[nH+]ccn1C ZINC000011819100 570585578 /nfs/dbraw/zinc/58/55/78/570585578.db2.gz ORAIISYBKYHHSH-QFIPXVFZSA-N 1 2 386.499 5.264 50 0 GKAALO Fc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005459681 570600272 /nfs/dbraw/zinc/60/02/72/570600272.db2.gz VDJRGESRUDDJTJ-PZJWPPBQSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005459668 570600373 /nfs/dbraw/zinc/60/03/73/570600373.db2.gz VDJRGESRUDDJTJ-FPOVZHCZSA-N 1 2 377.850 5.975 50 0 GKAALO Clc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c(Cl)c1 ZINC000005460689 570603858 /nfs/dbraw/zinc/60/38/58/570603858.db2.gz LGGACSMJQBHJJC-FPOVZHCZSA-N 1 2 394.305 6.489 50 0 GKAALO COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005461335 570604359 /nfs/dbraw/zinc/60/43/59/570604359.db2.gz CIEUYUDBXOOBHQ-IFMALSPDSA-N 1 2 389.886 5.845 50 0 GKAALO Clc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005460704 570604383 /nfs/dbraw/zinc/60/43/83/570604383.db2.gz XCIZUYMMKIBRFW-CTNGQTDRSA-N 1 2 394.305 6.489 50 0 GKAALO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000036347469 570628762 /nfs/dbraw/zinc/62/87/62/570628762.db2.gz AYCXABFDGHDONS-JOCHJYFZSA-N 1 2 385.338 6.099 50 0 GKAALO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000036347469 570628763 /nfs/dbraw/zinc/62/87/63/570628763.db2.gz AYCXABFDGHDONS-JOCHJYFZSA-N 1 2 385.338 6.099 50 0 GKAALO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347597 570629773 /nfs/dbraw/zinc/62/97/73/570629773.db2.gz MFIAPMOAMWMACB-QFIPXVFZSA-N 1 2 384.882 5.285 50 0 GKAALO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347597 570629775 /nfs/dbraw/zinc/62/97/75/570629775.db2.gz MFIAPMOAMWMACB-QFIPXVFZSA-N 1 2 384.882 5.285 50 0 GKAALO Fc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348242 570630740 /nfs/dbraw/zinc/63/07/40/570630740.db2.gz WKTOOJDMGYHZKM-OAQYLSRUSA-N 1 2 388.408 5.641 50 0 GKAALO Fc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348242 570630742 /nfs/dbraw/zinc/63/07/42/570630742.db2.gz WKTOOJDMGYHZKM-OAQYLSRUSA-N 1 2 388.408 5.641 50 0 GKAALO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cc(F)ccc2F)cc1 ZINC000036348599 570630846 /nfs/dbraw/zinc/63/08/46/570630846.db2.gz CNIQANFJNLGBIQ-HSZRJFAPSA-N 1 2 382.454 5.160 50 0 GKAALO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cc(F)ccc2F)cc1 ZINC000036348599 570630848 /nfs/dbraw/zinc/63/08/48/570630848.db2.gz CNIQANFJNLGBIQ-HSZRJFAPSA-N 1 2 382.454 5.160 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2cc3ccccc3[nH]2)c1 ZINC000033019710 570645554 /nfs/dbraw/zinc/64/55/54/570645554.db2.gz OMZQSNPRVSCVRN-UHFFFAOYSA-N 1 2 394.478 5.092 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccccc1NC(=O)c1ccccc1Cl ZINC000033019854 570645706 /nfs/dbraw/zinc/64/57/06/570645706.db2.gz BEBAZYYIMXRUBI-UHFFFAOYSA-N 1 2 389.886 5.264 50 0 GKAALO CCCn1c(CCc2ccccc2NC(=O)c2cccc(C)c2)[nH+]c2ccccc21 ZINC000033019758 570645724 /nfs/dbraw/zinc/64/57/24/570645724.db2.gz GSCCHABJKJCACI-UHFFFAOYSA-N 1 2 397.522 5.792 50 0 GKAALO Cc1ccc([NH+]=[P@@](c2ccncc2)(N2CCCC2)C(C)(C)C)cc1Cl ZINC000005571072 570657091 /nfs/dbraw/zinc/65/70/91/570657091.db2.gz HIMBZEWOEMCQED-VWLOTQADSA-N 1 2 375.884 6.011 50 0 GKAALO Cc1ccc([NH+]=[P@](c2ccncc2)(N2CCCC2)C(C)(C)C)cc1Cl ZINC000005571070 570657210 /nfs/dbraw/zinc/65/72/10/570657210.db2.gz HIMBZEWOEMCQED-RUZDIDTESA-N 1 2 375.884 6.011 50 0 GKAALO CCCn1c(-c2ccc(C)cc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000005579912 570660867 /nfs/dbraw/zinc/66/08/67/570660867.db2.gz PEVHUSJGSQWENU-UHFFFAOYSA-N 1 2 391.518 6.855 50 0 GKAALO Clc1ccc(Cn2c3ccccc3[nH+]c2NCc2ccccc2Cl)cc1 ZINC000004608421 570662392 /nfs/dbraw/zinc/66/23/92/570662392.db2.gz RKKIUBORBLLWRM-UHFFFAOYSA-N 1 2 382.294 6.004 50 0 GKAALO CN(Cc1ccccc1)c1c(C(=O)N2CCCCC2)c[nH+]c2ccc(Cl)cc21 ZINC000072328383 570674550 /nfs/dbraw/zinc/67/45/50/570674550.db2.gz OKMRRMYVAPNQLF-UHFFFAOYSA-N 1 2 393.918 5.151 50 0 GKAALO c1cn(Cc2ccc(CNc3ncnc4scc(-c5ccccc5)c43)cc2)c[nH+]1 ZINC000036391678 570674696 /nfs/dbraw/zinc/67/46/96/570674696.db2.gz JPTMWJMGYMNXCO-UHFFFAOYSA-N 1 2 397.507 5.215 50 0 GKAALO Clc1ccc2[nH+]c(CSc3ncnc4sc5c(c43)CCCC5)cn2c1 ZINC000012523879 570675642 /nfs/dbraw/zinc/67/56/42/570675642.db2.gz HNGYHTKIKIWYGP-UHFFFAOYSA-N 1 2 386.933 5.164 50 0 GKAALO CCOc1ccc(C(=O)c2c[nH+]c3ccc(Cl)cc3c2N2CCCC2)cc1 ZINC000012437922 570676314 /nfs/dbraw/zinc/67/63/14/570676314.db2.gz BGYUIUMUFOGUIJ-UHFFFAOYSA-N 1 2 380.875 5.118 50 0 GKAALO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000006881489 570676658 /nfs/dbraw/zinc/67/66/58/570676658.db2.gz URZRKZUVFBCGTA-KRWDZBQOSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000006881489 570676662 /nfs/dbraw/zinc/67/66/62/570676662.db2.gz URZRKZUVFBCGTA-KRWDZBQOSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000006881488 570676692 /nfs/dbraw/zinc/67/66/92/570676692.db2.gz URZRKZUVFBCGTA-QGZVFWFLSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000006881488 570676695 /nfs/dbraw/zinc/67/66/95/570676695.db2.gz URZRKZUVFBCGTA-QGZVFWFLSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036398704 570683382 /nfs/dbraw/zinc/68/33/82/570683382.db2.gz ZRCHUAWEBTUKJP-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO Cc1cccc(C)c1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036398704 570683386 /nfs/dbraw/zinc/68/33/86/570683386.db2.gz ZRCHUAWEBTUKJP-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000036446880 570711905 /nfs/dbraw/zinc/71/19/05/570711905.db2.gz LIOHFIRMTGTONO-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO Cc1ccc(C)c(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000036446880 570711909 /nfs/dbraw/zinc/71/19/09/570711909.db2.gz LIOHFIRMTGTONO-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO COc1ccc(C(C)=O)cc1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000058160597 570713020 /nfs/dbraw/zinc/71/30/20/570713020.db2.gz REBFZFRPGUZKQQ-LJQANCHMSA-N 1 2 380.513 5.235 50 0 GKAALO COc1ccc(C(C)=O)cc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000058160597 570713023 /nfs/dbraw/zinc/71/30/23/570713023.db2.gz REBFZFRPGUZKQQ-LJQANCHMSA-N 1 2 380.513 5.235 50 0 GKAALO Cc1cc(C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c(C)n1C1CC1 ZINC000058172408 570715339 /nfs/dbraw/zinc/71/53/39/570715339.db2.gz ZSARLZFOKJPVFK-UHFFFAOYSA-N 1 2 393.556 5.112 50 0 GKAALO Brc1ccc2[nH+]c(-c3cccs3)c(NCc3ccccc3)n2c1 ZINC000004381249 570727148 /nfs/dbraw/zinc/72/71/48/570727148.db2.gz VHWUNHQCAHKWSQ-UHFFFAOYSA-N 1 2 384.302 5.437 50 0 GKAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccc(Br)cc1 ZINC000000953624 570740127 /nfs/dbraw/zinc/74/01/27/570740127.db2.gz IIMIIVQPUYCQEN-UHFFFAOYSA-N 1 2 385.261 5.226 50 0 GKAALO O=C(Nc1ccc(Cl)cc1)OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000063598829 570750236 /nfs/dbraw/zinc/75/02/36/570750236.db2.gz OIMCFOBBZYJVTC-UHFFFAOYSA-N 1 2 392.886 5.362 50 0 GKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000064790093 570756602 /nfs/dbraw/zinc/75/66/02/570756602.db2.gz CZJDVGOGRPPVHD-GOSISDBHSA-N 1 2 395.509 5.560 50 0 GKAALO C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1C(F)(F)F ZINC000025532550 570757811 /nfs/dbraw/zinc/75/78/11/570757811.db2.gz ITJDMXGIYHLCGO-UHFFFAOYSA-N 1 2 381.785 5.041 50 0 GKAALO C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1C(F)(F)F ZINC000025532550 570757814 /nfs/dbraw/zinc/75/78/14/570757814.db2.gz ITJDMXGIYHLCGO-UHFFFAOYSA-N 1 2 381.785 5.041 50 0 GKAALO Cc1[nH+]c2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccccc1 ZINC000013563268 570758296 /nfs/dbraw/zinc/75/82/96/570758296.db2.gz NIUNURIIMRBHCW-UHFFFAOYSA-N 1 2 375.859 5.299 50 0 GKAALO Cc1cccc(C)c1NC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2nccs2)cc1 ZINC000065393956 570765150 /nfs/dbraw/zinc/76/51/50/570765150.db2.gz IGBDWWHDAUBLLA-QGZVFWFLSA-N 1 2 379.529 5.205 50 0 GKAALO Cc1cccc(C)c1NC(=O)c1ccc(C[N@H+](C)[C@H](C)c2nccs2)cc1 ZINC000065393956 570765152 /nfs/dbraw/zinc/76/51/52/570765152.db2.gz IGBDWWHDAUBLLA-QGZVFWFLSA-N 1 2 379.529 5.205 50 0 GKAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c1C ZINC000032747154 570793030 /nfs/dbraw/zinc/79/30/30/570793030.db2.gz VIAAYKOTWZSICD-PWSUYJOCSA-N 1 2 381.303 5.063 50 0 GKAALO Clc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101227363 570817072 /nfs/dbraw/zinc/81/70/72/570817072.db2.gz KLNXWHDMRJSQCS-PZJWPPBQSA-N 1 2 394.305 6.489 50 0 GKAALO C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012506744 570822457 /nfs/dbraw/zinc/82/24/57/570822457.db2.gz VBIYIBHBZBEDGF-LBPRGKRZSA-N 1 2 375.259 5.062 50 0 GKAALO Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3cccc(Cl)c3)[nH+]c21 ZINC000004678184 570823854 /nfs/dbraw/zinc/82/38/54/570823854.db2.gz AGWNHBNREPAKIH-UHFFFAOYSA-N 1 2 376.674 5.967 50 0 GKAALO Cn1c(-c2ccc(Br)cc2)cn2cc(-c3cccc(Cl)c3)[nH+]c12 ZINC000004678335 570824203 /nfs/dbraw/zinc/82/42/03/570824203.db2.gz CJQUNLWDLHDBEY-UHFFFAOYSA-N 1 2 386.680 5.423 50 0 GKAALO Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc(Cl)cc3)[nH+]c12 ZINC000004678314 570824242 /nfs/dbraw/zinc/82/42/42/570824242.db2.gz XDCYWZDIVDTLKV-UHFFFAOYSA-N 1 2 386.680 5.423 50 0 GKAALO Cn1c(-c2ccc3c(c2)OCO3)cn2cc(-c3ccc(-c4ccccc4)cc3)[nH+]c21 ZINC000004678551 570824873 /nfs/dbraw/zinc/82/48/73/570824873.db2.gz JSLUONFNMHSNTJ-UHFFFAOYSA-N 1 2 393.446 5.403 50 0 GKAALO CCN(c1[nH+]c2ccccc2n1CC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000012523801 570829827 /nfs/dbraw/zinc/82/98/27/570829827.db2.gz ZCRMHZQJIBTELW-UHFFFAOYSA-N 1 2 385.467 5.086 50 0 GKAALO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2c2cccs2)cs1)c1ccccc1 ZINC000007362750 570833790 /nfs/dbraw/zinc/83/37/90/570833790.db2.gz DPIUHXJUYWVTGL-SFHVURJKSA-N 1 2 383.542 5.226 50 0 GKAALO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2c2cccs2)cs1)c1ccccc1 ZINC000007362750 570833794 /nfs/dbraw/zinc/83/37/94/570833794.db2.gz DPIUHXJUYWVTGL-SFHVURJKSA-N 1 2 383.542 5.226 50 0 GKAALO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000007387525 570836177 /nfs/dbraw/zinc/83/61/77/570836177.db2.gz FCSHUZTXZDEVRB-JOCHJYFZSA-N 1 2 394.902 5.127 50 0 GKAALO FC(F)(F)c1cccc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000003280461 570849255 /nfs/dbraw/zinc/84/92/55/570849255.db2.gz LZZPGYZZBRRIJL-UHFFFAOYSA-N 1 2 386.402 5.127 50 0 GKAALO Cc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1C ZINC000037224333 570850315 /nfs/dbraw/zinc/85/03/15/570850315.db2.gz CJCYKFYXCQOMNW-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO Cc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1C ZINC000037224333 570850319 /nfs/dbraw/zinc/85/03/19/570850319.db2.gz CJCYKFYXCQOMNW-NRFANRHFSA-N 1 2 382.554 5.013 50 0 GKAALO CC(C)n1ncc2cc(CNc3[nH+]cccc3O[C@H](C)c3ccccc3)cnc21 ZINC000170596932 570853909 /nfs/dbraw/zinc/85/39/09/570853909.db2.gz ADBDINMFKNMTOM-QGZVFWFLSA-N 1 2 387.487 5.159 50 0 GKAALO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000007497425 570857384 /nfs/dbraw/zinc/85/73/84/570857384.db2.gz YTVKYPFFUOYUMD-MRXNPFEDSA-N 1 2 389.886 5.830 50 0 GKAALO Clc1cccc(Cl)c1CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000003378982 570863946 /nfs/dbraw/zinc/86/39/46/570863946.db2.gz NQAWKKAAKBLBIH-UHFFFAOYSA-N 1 2 387.295 5.415 50 0 GKAALO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000015079513 570879405 /nfs/dbraw/zinc/87/94/05/570879405.db2.gz NFZCRVVLIRSDPR-FQEVSTJZSA-N 1 2 375.497 5.597 50 0 GKAALO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000015079513 570879408 /nfs/dbraw/zinc/87/94/08/570879408.db2.gz NFZCRVVLIRSDPR-FQEVSTJZSA-N 1 2 375.497 5.597 50 0 GKAALO C[S@@](=O)c1ccc(CNc2ccc(-c3cccc(C(F)(F)F)c3)c[nH+]2)cc1 ZINC000159044654 570881136 /nfs/dbraw/zinc/88/11/36/570881136.db2.gz XIERXAGJKSCFEA-MHZLTWQESA-N 1 2 390.430 5.117 50 0 GKAALO CC[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1OC ZINC000003658711 570881663 /nfs/dbraw/zinc/88/16/63/570881663.db2.gz IDWQWCFDIQAOLG-MRXNPFEDSA-N 1 2 389.524 5.987 50 0 GKAALO CCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658734 570881739 /nfs/dbraw/zinc/88/17/39/570881739.db2.gz VXLYCYWCSIIIDR-UHFFFAOYSA-N 1 2 375.497 5.598 50 0 GKAALO Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000103881615 570889819 /nfs/dbraw/zinc/88/98/19/570889819.db2.gz LMTREDBSWYYWLV-SANMLTNESA-N 1 2 388.530 5.849 50 0 GKAALO Cc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000103881615 570889820 /nfs/dbraw/zinc/88/98/20/570889820.db2.gz LMTREDBSWYYWLV-SANMLTNESA-N 1 2 388.530 5.849 50 0 GKAALO CCCC1CCC(C(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)CC1 ZINC000004563110 570890187 /nfs/dbraw/zinc/89/01/87/570890187.db2.gz ISLQYJOQOBLCDN-UHFFFAOYSA-N 1 2 393.575 6.079 50 0 GKAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccccc3)n2)c(OC)c1 ZINC000015366876 570892922 /nfs/dbraw/zinc/89/29/22/570892922.db2.gz BASYUUNEBGVGRQ-HXUWFJFHSA-N 1 2 380.513 5.164 50 0 GKAALO COc1ccc([C@H]2CCC[N@H+]2Cc2csc(-c3ccccc3)n2)c(OC)c1 ZINC000015366876 570892926 /nfs/dbraw/zinc/89/29/26/570892926.db2.gz BASYUUNEBGVGRQ-HXUWFJFHSA-N 1 2 380.513 5.164 50 0 GKAALO O=C1CCCC2=C1[C@H](c1ccc(F)cc1)[NH+]=C(Nc1nc3ccccc3s1)N2 ZINC000104089583 570895351 /nfs/dbraw/zinc/89/53/51/570895351.db2.gz GDDZXIRIIBDENR-IBGZPJMESA-N 1 2 392.459 5.395 50 0 GKAALO Cc1noc([C@@H]([NH2+]Cc2cc(C)c(OCc3ccccc3C)c(C)c2)C(C)C)n1 ZINC000089690411 570909721 /nfs/dbraw/zinc/90/97/21/570909721.db2.gz DQHIXBZMHIHFFX-QFIPXVFZSA-N 1 2 393.531 5.369 50 0 GKAALO Cc1ccc(Cn2c3ccccc3[nH+]c2NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000017186402 570929460 /nfs/dbraw/zinc/92/94/60/570929460.db2.gz XVBQSWFJWKVVHP-UHFFFAOYSA-N 1 2 396.321 6.312 50 0 GKAALO Cc1ccccc1Nc1c(-c2c(F)cccc2Cl)[nH+]c2ccc(Cl)cn21 ZINC000004733826 570948090 /nfs/dbraw/zinc/94/80/90/570948090.db2.gz MWMFVTZVMYKIJJ-UHFFFAOYSA-N 1 2 386.257 6.499 50 0 GKAALO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000004733708 570948310 /nfs/dbraw/zinc/94/83/10/570948310.db2.gz QXTRMNGALGHQBK-UHFFFAOYSA-N 1 2 397.887 5.539 50 0 GKAALO Cc1ccc2[nH+]c(-c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004735077 570948995 /nfs/dbraw/zinc/94/89/95/570948995.db2.gz HNVIKPMFQUKTAA-UHFFFAOYSA-N 1 2 377.831 5.435 50 0 GKAALO Clc1ccc(Nc2c(-c3ccccc3Cl)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004733548 570949424 /nfs/dbraw/zinc/94/94/24/570949424.db2.gz KFIMCEDQTOWVCT-UHFFFAOYSA-N 1 2 388.685 6.705 50 0 GKAALO Clc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000004733584 570949489 /nfs/dbraw/zinc/94/94/89/570949489.db2.gz DLXMFWDTGFCJGY-UHFFFAOYSA-N 1 2 383.860 5.231 50 0 aggregator GKAALO O=C(Cn1c2ccc3ccccc3c2[nH+]c1Nc1ccccc1)Nc1ccccc1 ZINC000001271877 570951862 /nfs/dbraw/zinc/95/18/62/570951862.db2.gz HAUKQQIDRRAETJ-UHFFFAOYSA-N 1 2 392.462 5.572 50 0 GKAALO CC(C)(C)c1cc([C@H](c2cccc(O)c2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000023224594 570988138 /nfs/dbraw/zinc/98/81/38/570988138.db2.gz LPIISVIFPAJATA-QFIPXVFZSA-N 1 2 397.559 5.114 50 0 GKAALO CC(C)(C)c1cc([C@@H](c2cccc(O)c2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000023224595 570988166 /nfs/dbraw/zinc/98/81/66/570988166.db2.gz LPIISVIFPAJATA-JOCHJYFZSA-N 1 2 397.559 5.114 50 0 GKAALO COc1cccc(C[NH+]=C2Nc3ccccc3NC23CCC(C(C)(C)C)CC3)c1 ZINC000045913589 571000322 /nfs/dbraw/zinc/00/03/22/571000322.db2.gz FWXJNNUAUXHNTO-UHFFFAOYSA-N 1 2 391.559 5.916 50 0 biogenic GKAALO Cc1cc2[nH+]c(Cc3ccccc3Cl)n(CCC(=O)NCC(C)C)c2cc1C ZINC000037398309 571005117 /nfs/dbraw/zinc/00/51/17/571005117.db2.gz KTSZZPCQJYXAGO-UHFFFAOYSA-N 1 2 397.950 5.060 50 0 GKAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c(Cl)c1 ZINC000012758889 571007896 /nfs/dbraw/zinc/00/78/96/571007896.db2.gz IMRJMHRLVZUDGC-QFIPXVFZSA-N 1 2 396.943 5.296 50 0 GKAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c(Cl)c1 ZINC000012758889 571007899 /nfs/dbraw/zinc/00/78/99/571007899.db2.gz IMRJMHRLVZUDGC-QFIPXVFZSA-N 1 2 396.943 5.296 50 0 GKAALO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2F)cc1 ZINC000037523571 571025040 /nfs/dbraw/zinc/02/50/40/571025040.db2.gz IKMILLGIUBHFBI-DEOSSOPVSA-N 1 2 380.482 5.885 50 0 GKAALO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2F)cc1 ZINC000037523571 571025043 /nfs/dbraw/zinc/02/50/43/571025043.db2.gz IKMILLGIUBHFBI-DEOSSOPVSA-N 1 2 380.482 5.885 50 0 GKAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2oc3ccc(C)cc3c2C)C1 ZINC000095531072 571093294 /nfs/dbraw/zinc/09/32/94/571093294.db2.gz UAXNPTSNOBNSKU-GOSISDBHSA-N 1 2 379.504 5.066 50 0 GKAALO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1F ZINC000097205946 231002250 /nfs/dbraw/zinc/00/22/50/231002250.db2.gz NSMBQKRYFJELLM-QWHCGFSZSA-N 1 2 393.384 5.615 50 0 GKAALO Cc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000019326698 210240933 /nfs/dbraw/zinc/24/09/33/210240933.db2.gz HJVIFXJUXKCUQC-AREMUKBSSA-N 1 2 388.530 5.849 50 0 GKAALO Cc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000019326698 210240936 /nfs/dbraw/zinc/24/09/36/210240936.db2.gz HJVIFXJUXKCUQC-AREMUKBSSA-N 1 2 388.530 5.849 50 0 GKAALO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 ZINC000019326695 210240363 /nfs/dbraw/zinc/24/03/63/210240363.db2.gz ZJRUVNMSZWCBFM-VWLOTQADSA-N 1 2 392.493 5.680 50 0 GKAALO Cc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 ZINC000019326695 210240367 /nfs/dbraw/zinc/24/03/67/210240367.db2.gz ZJRUVNMSZWCBFM-VWLOTQADSA-N 1 2 392.493 5.680 50 0 GKAALO Cc1[nH]c2ccccc2c1C1N(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000019324569 210239902 /nfs/dbraw/zinc/23/99/02/210239902.db2.gz DKQDKXZQSKUCBV-UHFFFAOYSA-N 1 2 381.523 5.493 50 0 GKAALO Cc1[nH]c2ccccc2c1C1N(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000019324569 210239905 /nfs/dbraw/zinc/23/99/05/210239905.db2.gz DKQDKXZQSKUCBV-UHFFFAOYSA-N 1 2 381.523 5.493 50 0 GKAALO C[C@]12CC3CC(Nc4nc(N5CCCC5)[nH+]c5ccccc54)(C1)C[C@@](C)(C3)C2 ZINC000018093863 210213810 /nfs/dbraw/zinc/21/38/10/210213810.db2.gz BCNSWISMQBQJHA-MDQWUCQQSA-N 1 2 376.548 5.391 50 0 GKAALO Cc1cc(C)c(Nc2[nH+]cnc3c2cnn3-c2cc(Cl)ccc2C)c(C)c1 ZINC000017121577 210204829 /nfs/dbraw/zinc/20/48/29/210204829.db2.gz DNAACIHEVXIUNQ-UHFFFAOYSA-N 1 2 377.879 5.446 50 0 GKAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017046818 210201532 /nfs/dbraw/zinc/20/15/32/210201532.db2.gz LUPHAEJLJYEVNL-SNVBAGLBSA-N 1 2 399.825 5.126 50 0 GKAALO COc1ccc(-c2nc(C[N@@H+]3CCn4cccc4[C@@H]3C)c(C)o2)c2ccccc12 ZINC000015063978 210144593 /nfs/dbraw/zinc/14/45/93/210144593.db2.gz BDCAXJSUCWASML-INIZCTEOSA-N 1 2 387.483 5.190 50 0 GKAALO COc1ccc(-c2nc(C[N@H+]3CCn4cccc4[C@@H]3C)c(C)o2)c2ccccc12 ZINC000015063978 210144598 /nfs/dbraw/zinc/14/45/98/210144598.db2.gz BDCAXJSUCWASML-INIZCTEOSA-N 1 2 387.483 5.190 50 0 GKAALO Cc1ccccc1N1CC[NH+](Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000013057447 210049655 /nfs/dbraw/zinc/04/96/55/210049655.db2.gz WMRFBRQTPQZEGX-UHFFFAOYSA-N 1 2 383.948 5.094 50 0 GKAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1Cl ZINC000013062774 210049208 /nfs/dbraw/zinc/04/92/08/210049208.db2.gz NFJKLHUEUSLHKZ-KRWDZBQOSA-N 1 2 385.920 5.034 50 0 GKAALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1Cl ZINC000013062774 210049211 /nfs/dbraw/zinc/04/92/11/210049211.db2.gz NFJKLHUEUSLHKZ-KRWDZBQOSA-N 1 2 385.920 5.034 50 0 GKAALO CCN(C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)c1ccccc1C ZINC000012805552 210013103 /nfs/dbraw/zinc/01/31/03/210013103.db2.gz JHWFHAOVMXEEEC-JOCHJYFZSA-N 1 2 396.581 5.119 50 0 GKAALO CCN(C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)c1ccccc1C ZINC000012805552 210013108 /nfs/dbraw/zinc/01/31/08/210013108.db2.gz JHWFHAOVMXEEEC-JOCHJYFZSA-N 1 2 396.581 5.119 50 0 GKAALO Cc1ccccc1Nc1c(-c2ccsc2)[nH+]c2ccc(Br)cn21 ZINC000004733852 209518967 /nfs/dbraw/zinc/51/89/67/209518967.db2.gz GKEAZRFONOPOTM-UHFFFAOYSA-N 1 2 384.302 5.877 50 0 GKAALO Cc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000002714140 209378231 /nfs/dbraw/zinc/37/82/31/209378231.db2.gz PUIDGHCXGDILOG-UHFFFAOYSA-N 1 2 376.463 6.140 50 0 GKAALO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2C)c1 ZINC000002714953 209377629 /nfs/dbraw/zinc/37/76/29/209377629.db2.gz LGVNGLQNPLIEPE-UHFFFAOYSA-N 1 2 390.490 6.448 50 0 GKAALO CCOc1ccc(Cc2[nH+]ccc3cc(OCC)c(OCC)cc32)cc1OCC ZINC000000608359 209250837 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COc1cccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)c1 ZINC000004873044 204084187 /nfs/dbraw/zinc/08/41/87/204084187.db2.gz DDKLPKPWTNKWAC-UHFFFAOYSA-N 1 2 384.266 6.060 50 0 GKAALO COc1cccc(CCCCCCCCCCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000004416032 204044335 /nfs/dbraw/zinc/04/43/35/204044335.db2.gz JSUTVVOCENPVPK-UHFFFAOYSA-N 1 2 378.560 6.868 50 0 GKAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c3ccccc3[nH+]c2N1 ZINC000004632165 204059392 /nfs/dbraw/zinc/05/93/92/204059392.db2.gz XGNHNRNPFGOFEE-FQEVSTJZSA-N 1 2 386.480 5.025 50 0 GKAALO Cn1c(-c2cccc(Br)c2)cn2cc(-c3cccc(Cl)c3)[nH+]c12 ZINC000004678187 204062675 /nfs/dbraw/zinc/06/26/75/204062675.db2.gz IXZRKIHLELYOBT-UHFFFAOYSA-N 1 2 386.680 5.423 50 0 GKAALO Cn1c(-c2ccc(Br)cc2)cn2cc(-c3ccc(Cl)cc3)[nH+]c12 ZINC000004678225 204062750 /nfs/dbraw/zinc/06/27/50/204062750.db2.gz UJQQEBDSQUIAJL-UHFFFAOYSA-N 1 2 386.680 5.423 50 0 GKAALO Clc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005457312 204133229 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377.509 5.199 50 0 GKAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCOc2ccccc2C1 ZINC000012112182 204372122 /nfs/dbraw/zinc/37/21/22/204372122.db2.gz BRILHUQHGUSLTR-UHFFFAOYSA-N 1 2 388.389 5.063 50 0 GKAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1CCOc2ccccc2C1 ZINC000012112182 204372127 /nfs/dbraw/zinc/37/21/27/204372127.db2.gz BRILHUQHGUSLTR-UHFFFAOYSA-N 1 2 388.389 5.063 50 0 GKAALO Fc1ccc(-n2ncc3c2nc[nH+]c3Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000017190782 204609436 /nfs/dbraw/zinc/60/94/36/204609436.db2.gz IPRKVVRYHUUHHH-UHFFFAOYSA-N 1 2 396.429 5.442 50 0 GKAALO CC[C@H]1C(=O)[C@@H](CC)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000058085800 205163649 /nfs/dbraw/zinc/16/36/49/205163649.db2.gz SIHNWMZLNPZZLD-IYWMVGAKSA-N 1 2 376.327 6.001 50 0 GKAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)c1ccc(F)cc1F ZINC000058378263 205173497 /nfs/dbraw/zinc/17/34/97/205173497.db2.gz USOYNRXFJRRLOW-LLVKDONJSA-N 1 2 386.402 5.086 50 0 GKAALO C[C@@H](Nc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(F)cc21)c1ccc(F)cc1 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PINSVEAHVZLONM-ICSRJNTNSA-N 1 2 394.305 6.489 50 0 GKAALO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096851355 211348968 /nfs/dbraw/zinc/34/89/68/211348968.db2.gz YUFZISOKYZBQCS-KXCISIKOSA-N 1 2 392.462 5.090 50 0 GKAALO Cc1c2ccc(C)cc2oc1C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095520164 211266722 /nfs/dbraw/zinc/26/67/22/211266722.db2.gz RVZJKHHPBCZJEV-UHFFFAOYSA-N 1 2 391.515 5.066 50 0 GKAALO Clc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c1 ZINC000015077053 207046403 /nfs/dbraw/zinc/04/64/03/207046403.db2.gz RTLQLTJRPOQCBA-QHCPKHFHSA-N 1 2 390.918 5.056 50 0 GKAALO Clc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c1 ZINC000015077053 207046407 /nfs/dbraw/zinc/04/64/07/207046407.db2.gz RTLQLTJRPOQCBA-QHCPKHFHSA-N 1 2 390.918 5.056 50 0 GKAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccc(F)c(Cl)c1 ZINC000015863658 207064669 /nfs/dbraw/zinc/06/46/69/207064669.db2.gz IEAWARVOOHWGTC-UHFFFAOYSA-N 1 2 393.849 5.393 50 0 GKAALO CCn1c(CCc2cccc(NC(=O)c3cccc(OC)c3)c2)[nH+]c2ccccc21 ZINC000015863662 207064696 /nfs/dbraw/zinc/06/46/96/207064696.db2.gz XHQAENZNXNQTNB-UHFFFAOYSA-N 1 2 399.494 5.102 50 0 GKAALO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000019669696 207149179 /nfs/dbraw/zinc/14/91/79/207149179.db2.gz UNUDIRWALRJFSY-ISKFKSNPSA-N 1 2 398.531 5.919 50 0 GKAALO CC(=O)n1ccc2ccc(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)cc21 ZINC000020287289 207186175 /nfs/dbraw/zinc/18/61/75/207186175.db2.gz ZXCNZXLDKPVWBH-UHFFFAOYSA-N 1 2 396.490 5.187 50 0 GKAALO CCn1c(CCc2ccc(NC(=O)NCc3ccccc3)cc2)[nH+]c2ccccc21 ZINC000021357669 207229643 /nfs/dbraw/zinc/22/96/43/207229643.db2.gz HLSDLMJYYQJOJA-UHFFFAOYSA-N 1 2 398.510 5.163 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000021357706 207229860 /nfs/dbraw/zinc/22/98/60/207229860.db2.gz HQENOSOKZPHNMG-UHFFFAOYSA-N 1 2 388.446 5.142 50 0 GKAALO Clc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2Nc1ccccc1 ZINC000021798094 207238094 /nfs/dbraw/zinc/23/80/94/207238094.db2.gz MDTSZNUXRKANQW-UHFFFAOYSA-N 1 2 396.881 6.485 50 0 GKAALO O=C(Nc1ccc(Br)cc1)N(C1=[NH+]CCCCC1)C1CCCCC1 ZINC000025757645 207306149 /nfs/dbraw/zinc/30/61/49/207306149.db2.gz SCUYEGLTFPEIJU-UHFFFAOYSA-N 1 2 392.341 5.588 50 0 GKAALO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)c3nc(-c4cccs4)no3)CC2)c(C)c1 ZINC000026644503 207318331 /nfs/dbraw/zinc/31/83/31/207318331.db2.gz JWERXJLLKFTSNG-INIZCTEOSA-N 1 2 395.528 5.071 50 0 GKAALO C(\c1ccccc1)=C1\CCC[C@H]2C1=[NH+]c1ccccc1S[C@H]2c1ccccc1 ZINC000032077949 207391107 /nfs/dbraw/zinc/39/11/07/207391107.db2.gz UZGHVXQHRUPJIO-XLWSAMRLSA-N 1 2 381.544 7.490 50 0 GKAALO CCc1cc(N[C@@H](CC)c2nc(-c3ccccc3)c[nH]2)nc(-c2ccncc2)[nH+]1 ZINC000095460557 208186274 /nfs/dbraw/zinc/18/62/74/208186274.db2.gz BHCVCRPJPFQTBQ-IBGZPJMESA-N 1 2 384.487 5.054 50 0 GKAALO Clc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1Cl ZINC000101229006 208390735 /nfs/dbraw/zinc/39/07/35/208390735.db2.gz JUWSGESAFYHHDF-FPOVZHCZSA-N 1 2 394.305 6.489 50 0 GKAALO Cc1c(C)n(-c2ccc(F)c(F)c2)c2nc[nH+]c(Nc3cccc(C)c3C)c12 ZINC000021882964 210398236 /nfs/dbraw/zinc/39/82/36/210398236.db2.gz GQNKTVHDHSPCRQ-UHFFFAOYSA-N 1 2 378.426 5.676 50 0 GKAALO Cc1cc(C)cc(NC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)c1 ZINC000021704888 210390063 /nfs/dbraw/zinc/39/00/63/210390063.db2.gz YGRONNKTUGJHKL-UHFFFAOYSA-N 1 2 384.483 5.609 50 0 GKAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)c1 ZINC000020992734 210372940 /nfs/dbraw/zinc/37/29/40/210372940.db2.gz MDPUOPODOUVKFU-SFHVURJKSA-N 1 2 386.561 5.149 50 0 GKAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)c1 ZINC000020992734 210372945 /nfs/dbraw/zinc/37/29/45/210372945.db2.gz MDPUOPODOUVKFU-SFHVURJKSA-N 1 2 386.561 5.149 50 0 GKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000019953337 210311657 /nfs/dbraw/zinc/31/16/57/210311657.db2.gz MWFNCJIWRAHJSF-INIZCTEOSA-N 1 2 393.434 5.462 50 0 GKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000019953337 210311661 /nfs/dbraw/zinc/31/16/61/210311661.db2.gz MWFNCJIWRAHJSF-INIZCTEOSA-N 1 2 393.434 5.462 50 0 GKAALO Clc1ccccc1[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCn1cccn1 ZINC000019835438 210301716 /nfs/dbraw/zinc/30/17/16/210301716.db2.gz PIQAXVNNAWKYRJ-QHCPKHFHSA-N 1 2 390.918 5.056 50 0 GKAALO Clc1ccccc1[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCCn1cccn1 ZINC000019835438 210301721 /nfs/dbraw/zinc/30/17/21/210301721.db2.gz PIQAXVNNAWKYRJ-QHCPKHFHSA-N 1 2 390.918 5.056 50 0 GKAALO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014077426 209005047 /nfs/dbraw/zinc/00/50/47/209005047.db2.gz ARTNTPKRLLQXKM-UYAOXDASSA-N 1 2 390.449 5.258 50 0 GKAALO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014077426 209005052 /nfs/dbraw/zinc/00/50/52/209005052.db2.gz ARTNTPKRLLQXKM-UYAOXDASSA-N 1 2 390.449 5.258 50 0 GKAALO Cc1ccc2[nH+]c(CSc3nnc(-c4ccco4)n3C3CCCCC3)cn2c1 ZINC000005313052 220855550 /nfs/dbraw/zinc/85/55/50/220855550.db2.gz VKEIXDBGUQACTP-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/08/55/99/221085599.db2.gz BPNCFVKKGRGBJR-UHFFFAOYSA-N 1 2 381.524 5.259 50 0 GKAALO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012305026 221177883 /nfs/dbraw/zinc/17/78/83/221177883.db2.gz RYWXEUGMNISHFJ-QFIPXVFZSA-N 1 2 386.499 5.562 50 0 GKAALO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012305026 221177885 /nfs/dbraw/zinc/17/78/85/221177885.db2.gz RYWXEUGMNISHFJ-QFIPXVFZSA-N 1 2 386.499 5.562 50 0 GKAALO Cc1ccc(-c2nc(C[NH+]3CCC(Oc4ccccc4F)CC3)c(C)o2)s1 ZINC000012613356 221214564 /nfs/dbraw/zinc/21/45/64/221214564.db2.gz FJDPUKLDTFVOFP-UHFFFAOYSA-N 1 2 386.492 5.202 50 0 GKAALO C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012627581 221215475 /nfs/dbraw/zinc/21/54/75/221215475.db2.gz KVCZMRIYPHBYJP-MRXNPFEDSA-N 1 2 399.947 5.275 50 0 GKAALO CC(C)c1nn(C[N@H+](C)C(c2ccccc2)c2ccccc2)c(=S)n1C1CC1 ZINC000012808581 221234435 /nfs/dbraw/zinc/23/44/35/221234435.db2.gz HVLWMWPFJHIGSN-UHFFFAOYSA-N 1 2 392.572 5.551 50 0 GKAALO CC(C)c1nn(C[N@@H+](C)C(c2ccccc2)c2ccccc2)c(=S)n1C1CC1 ZINC000012808581 221234438 /nfs/dbraw/zinc/23/44/38/221234438.db2.gz HVLWMWPFJHIGSN-UHFFFAOYSA-N 1 2 392.572 5.551 50 0 GKAALO Brc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4[nH+]c32)cc1 ZINC000013303144 221264871 /nfs/dbraw/zinc/26/48/71/221264871.db2.gz UKRYLKWHNBRNCB-UHFFFAOYSA-N 1 2 388.268 5.708 50 0 GKAALO CCCn1c(-c2ccc(F)cc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000013770198 221288009 /nfs/dbraw/zinc/28/80/09/221288009.db2.gz MCVOYLQCKAPEHI-UHFFFAOYSA-N 1 2 395.481 6.686 50 0 GKAALO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1Sc1ccccc1 ZINC000016591558 221366984 /nfs/dbraw/zinc/36/69/84/221366984.db2.gz MYFVVCPJXRDMTE-HNNXBMFYSA-N 1 2 394.462 5.051 50 0 GKAALO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1Sc1ccccc1 ZINC000016591558 221366987 /nfs/dbraw/zinc/36/69/87/221366987.db2.gz MYFVVCPJXRDMTE-HNNXBMFYSA-N 1 2 394.462 5.051 50 0 GKAALO Cc1cccc(C)c1OC[C@@H](O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000016903709 221373651 /nfs/dbraw/zinc/37/36/51/221373651.db2.gz HBTVCOHEOSCTDA-FQEVSTJZSA-N 1 2 378.516 5.141 50 0 GKAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C)c1 ZINC000037520118 221871465 /nfs/dbraw/zinc/87/14/65/221871465.db2.gz XFGKFLUEQDVKPT-HXUWFJFHSA-N 1 2 386.495 5.025 50 0 GKAALO Cc1cccc(C[N@H+]2CCN(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C)c1 ZINC000037520118 221871470 /nfs/dbraw/zinc/87/14/70/221871470.db2.gz XFGKFLUEQDVKPT-HXUWFJFHSA-N 1 2 386.495 5.025 50 0 GKAALO CCC[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000068728340 222173256 /nfs/dbraw/zinc/17/32/56/222173256.db2.gz LEZGVYQYVCUQBH-XVVDYKMHSA-N 1 2 376.327 6.001 50 0 GKAALO Cc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(Cl)cc32)cc1 ZINC000072328457 222228938 /nfs/dbraw/zinc/22/89/38/222228938.db2.gz KKCIGFPFTVLKTP-UHFFFAOYSA-N 1 2 393.918 5.435 50 0 GKAALO CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000001913378 535715530 /nfs/dbraw/zinc/71/55/30/535715530.db2.gz YFZNPWDLBCMDFF-UHFFFAOYSA-N 1 2 393.462 5.285 50 0 GKAALO Clc1ccc(CS[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000000601250 570210637 /nfs/dbraw/zinc/21/06/37/570210637.db2.gz AFNXATANNDIXLG-GOSISDBHSA-N 1 2 397.758 6.518 50 0 aggregator,fda GKAALO CC[NH+](CC)c1ccc(Nc2nc(-c3c(C)nc4sccn43)cs2)cc1 ZINC000000753705 570222039 /nfs/dbraw/zinc/22/20/39/570222039.db2.gz DQENEWSWLJLWIC-UHFFFAOYSA-N 1 2 383.546 5.418 50 0 GKAALO CCn1cc(C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2C)c(C)n1 ZINC000019835574 570223761 /nfs/dbraw/zinc/22/37/61/570223761.db2.gz SURZUNTYSGYRFY-RUZDIDTESA-N 1 2 384.527 5.149 50 0 GKAALO CCn1cc(C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2C)c(C)n1 ZINC000019835574 570223764 /nfs/dbraw/zinc/22/37/64/570223764.db2.gz SURZUNTYSGYRFY-RUZDIDTESA-N 1 2 384.527 5.149 50 0 GKAALO CCn1cc(C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2C)c(C)n1 ZINC000019835572 570223838 /nfs/dbraw/zinc/22/38/38/570223838.db2.gz SURZUNTYSGYRFY-VWLOTQADSA-N 1 2 384.527 5.149 50 0 GKAALO CCn1cc(C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2C)c(C)n1 ZINC000019835572 570223839 /nfs/dbraw/zinc/22/38/39/570223839.db2.gz SURZUNTYSGYRFY-VWLOTQADSA-N 1 2 384.527 5.149 50 0 GKAALO C[C@@H](Nc1nc(-c2cccs2)nc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006110720 570247555 /nfs/dbraw/zinc/24/75/55/570247555.db2.gz DCIPWJSJJHKCIB-MRXNPFEDSA-N 1 2 397.507 5.717 50 0 GKAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2ccccc2c1 ZINC000015880232 570282399 /nfs/dbraw/zinc/28/23/99/570282399.db2.gz SHWINLWTXUIXBG-UHFFFAOYSA-N 1 2 399.519 5.107 50 0 GKAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2ccccc2c1 ZINC000015880232 570282400 /nfs/dbraw/zinc/28/24/00/570282400.db2.gz SHWINLWTXUIXBG-UHFFFAOYSA-N 1 2 399.519 5.107 50 0 GKAALO Fc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000000756778 570317155 /nfs/dbraw/zinc/31/71/55/570317155.db2.gz XZDMODLRKIHUHR-UHFFFAOYSA-N 1 2 380.426 5.970 50 0 GKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1N[C@H](C)c1ccccc1 ZINC000072328542 570325834 /nfs/dbraw/zinc/32/58/34/570325834.db2.gz LPQHTKCVKDUYHI-OAHLLOKOSA-N 1 2 381.907 5.543 50 0 GKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1cc2ccccc2[nH]1 ZINC000035397038 570348542 /nfs/dbraw/zinc/34/85/42/570348542.db2.gz DLMYCHCNMIRAMX-UHFFFAOYSA-N 1 2 380.451 5.082 50 0 GKAALO CC[C@H](c1nnc(SC/C=C/c2ccccc2)n1Cc1ccccc1)[NH+](C)C ZINC000008128339 570358748 /nfs/dbraw/zinc/35/87/48/570358748.db2.gz BJYNHISEMMJNFO-RBNQXFGJSA-N 1 2 392.572 5.145 50 0 GKAALO COC(=O)CC1=CC(SCc2c(F)cccc2Cl)=[NH+]c2ccccc2N1 ZINC000035480693 570372613 /nfs/dbraw/zinc/37/26/13/570372613.db2.gz CAPFFTXJEJUOTM-UHFFFAOYSA-N 1 2 390.867 5.315 50 0 GKAALO COc1ccccc1[C@@H](C)[NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000023955510 570375545 /nfs/dbraw/zinc/37/55/45/570375545.db2.gz WLBYVSGCKDROEZ-OSPHWJPCSA-N 1 2 384.479 5.451 50 0 GKAALO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1 ZINC000023956110 570375984 /nfs/dbraw/zinc/37/59/84/570375984.db2.gz UPFCETRJPVBKGT-LADGPHEKSA-N 1 2 382.463 5.205 50 0 GKAALO Clc1cccc(Cl)c1[C@H]1C[C@@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000101230635 570384495 /nfs/dbraw/zinc/38/44/95/570384495.db2.gz PINSVEAHVZLONM-AZUAARDMSA-N 1 2 394.305 6.489 50 0 GKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccccc2)cc1 ZINC000004731516 570398766 /nfs/dbraw/zinc/39/87/66/570398766.db2.gz HGMMQIACGZAJRX-HSZRJFAPSA-N 1 2 394.478 5.272 50 0 GKAALO CSC1=[NH+][C@@H](c2ccc(F)cc2)C2=C(N1)C(=Cc1ccc(F)cc1)CCC2 ZINC000006378749 570399547 /nfs/dbraw/zinc/39/95/47/570399547.db2.gz XATRGJQMNWJSDQ-YFIXDKARSA-N 1 2 382.479 5.850 50 0 GKAALO Cc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000004742045 570401265 /nfs/dbraw/zinc/40/12/65/570401265.db2.gz STHCGCAHWBHWTK-HSZRJFAPSA-N 1 2 394.478 5.272 50 0 GKAALO CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)n2c3ccccc3[nH+]c2N1 ZINC000004742053 570401354 /nfs/dbraw/zinc/40/13/54/570401354.db2.gz RAUFPGBONXDTBW-QFIPXVFZSA-N 1 2 398.441 5.103 50 0 GKAALO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004742044 570401381 /nfs/dbraw/zinc/40/13/81/570401381.db2.gz OZGZDEOGMTZXBQ-JOCHJYFZSA-N 1 2 398.441 5.103 50 0 GKAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004742043 570401475 /nfs/dbraw/zinc/40/14/75/570401475.db2.gz OZGZDEOGMTZXBQ-QFIPXVFZSA-N 1 2 398.441 5.103 50 0 GKAALO Cc1cccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c1C ZINC000032953735 570433908 /nfs/dbraw/zinc/43/39/08/570433908.db2.gz FNQLYALWOXOBEI-UHFFFAOYSA-N 1 2 388.515 5.794 50 0 GKAALO COc1cccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c1 ZINC000032953723 570433915 /nfs/dbraw/zinc/43/39/15/570433915.db2.gz LCLZBLZFDHRCND-UHFFFAOYSA-N 1 2 390.487 5.186 50 0 GKAALO CCN(CC)c1cc(C)c2cc(NC(=O)Nc3ccc(C)cc3Cl)ccc2[nH+]1 ZINC000032953946 570434178 /nfs/dbraw/zinc/43/41/78/570434178.db2.gz FBEIVZGKCWHKTD-UHFFFAOYSA-N 1 2 396.922 5.995 50 0 GKAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2csc(Cc3ccccc3)n2)c(OC)c1 ZINC000070016954 570449990 /nfs/dbraw/zinc/44/99/90/570449990.db2.gz QBSDGJCSSIYHCC-OAQYLSRUSA-N 1 2 394.540 5.088 50 0 GKAALO COc1ccc([C@H]2CCC[N@H+]2Cc2csc(Cc3ccccc3)n2)c(OC)c1 ZINC000070016954 570449993 /nfs/dbraw/zinc/44/99/93/570449993.db2.gz QBSDGJCSSIYHCC-OAQYLSRUSA-N 1 2 394.540 5.088 50 0 GKAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029951517 570483499 /nfs/dbraw/zinc/48/34/99/570483499.db2.gz MECMIMOMVJBJSH-UHFFFAOYSA-N 1 2 399.294 5.162 50 0 GKAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)c1ccccc1 ZINC000030642855 570492718 /nfs/dbraw/zinc/49/27/18/570492718.db2.gz UIXWJDZALXNYLX-NRFANRHFSA-N 1 2 377.488 5.167 50 0 GKAALO COc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714104 570509448 /nfs/dbraw/zinc/50/94/48/570509448.db2.gz RRDVYKRQMMYGNA-UHFFFAOYSA-N 1 2 392.462 5.840 50 0 GKAALO C[C@H](Sc1ccc(Cl)cc1)[C@@H](Nc1cccc[nH+]1)n1nnc2ccccc21 ZINC000002818002 570519388 /nfs/dbraw/zinc/51/93/88/570519388.db2.gz NVLUTUJGFBVEMF-XOBRGWDASA-N 1 2 395.919 5.271 50 0 GKAALO Cc1cccn2c(Nc3ccc(C)c(C)c3)c(-c3cccc4nccnc43)[nH+]c12 ZINC000005248851 570524728 /nfs/dbraw/zinc/52/47/28/570524728.db2.gz TULDVZRYKBNFPB-UHFFFAOYSA-N 1 2 379.467 5.613 50 0 GKAALO Cc1c(C)n(-c2ccc(F)c(F)c2)c2nc[nH+]c(Nc3ccc(C)c(C)c3)c12 ZINC000032960458 570529059 /nfs/dbraw/zinc/52/90/59/570529059.db2.gz JCLNDZVJLFXUHV-UHFFFAOYSA-N 1 2 378.426 5.676 50 0 GKAALO Cc1c(C)n(-c2cc(F)cc(F)c2)c2nc[nH+]c(Nc3ccc(F)cc3C)c12 ZINC000032960493 570529108 /nfs/dbraw/zinc/52/91/08/570529108.db2.gz GEJJIXGRGXBZNA-UHFFFAOYSA-N 1 2 382.389 5.507 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(Nc3ccc(C)cc3C)c12 ZINC000032960524 570529152 /nfs/dbraw/zinc/52/91/52/570529152.db2.gz MYOATQUSNGUNGP-UHFFFAOYSA-N 1 2 376.891 6.051 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(Nc3cc(C)cc(C)c3)c12 ZINC000032960527 570529213 /nfs/dbraw/zinc/52/92/13/570529213.db2.gz YYGYTQGJANLAEX-UHFFFAOYSA-N 1 2 376.891 6.051 50 0 GKAALO Cc1c(C)n(-c2ccc(F)cc2)c2nc[nH+]c(Nc3cccc(Cl)c3C)c12 ZINC000032960501 570529755 /nfs/dbraw/zinc/52/97/55/570529755.db2.gz FMODVMFYTZLISX-UHFFFAOYSA-N 1 2 380.854 5.882 50 0 GKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(Nc3ccc(F)c(F)c3)c12 ZINC000032960535 570530225 /nfs/dbraw/zinc/53/02/25/570530225.db2.gz ARSJANZECXPHHW-UHFFFAOYSA-N 1 2 384.817 5.713 50 0 GKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1cccc(Cl)c1 ZINC000032960608 570530732 /nfs/dbraw/zinc/53/07/32/570530732.db2.gz YMOKYMJYKXXTQC-UHFFFAOYSA-N 1 2 375.859 5.254 50 0 GKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccc(Cl)cc1 ZINC000032960605 570531044 /nfs/dbraw/zinc/53/10/44/570531044.db2.gz KEEKQGIKOYXTNU-UHFFFAOYSA-N 1 2 375.859 5.254 50 0 GKAALO CCn1c(CCc2ccc(NC(=O)c3cccc(C)c3)cc2)[nH+]c2ccccc21 ZINC000032960760 570531313 /nfs/dbraw/zinc/53/13/13/570531313.db2.gz WLZQRYXOSRLQPW-UHFFFAOYSA-N 1 2 383.495 5.402 50 0 GKAALO CCn1c(CCc2ccc(NC(=O)c3ccc(C)cc3)cc2)[nH+]c2ccccc21 ZINC000032960762 570531354 /nfs/dbraw/zinc/53/13/54/570531354.db2.gz KQVRXQMPWFQMDH-UHFFFAOYSA-N 1 2 383.495 5.402 50 0 GKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)CC2CCCCC2)cc1 ZINC000032960775 570531444 /nfs/dbraw/zinc/53/14/44/570531444.db2.gz RERMQMRXKILRCI-UHFFFAOYSA-N 1 2 389.543 5.750 50 0 GKAALO O=C(CSc1ccccc1)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960692 570532066 /nfs/dbraw/zinc/53/20/66/570532066.db2.gz AXNRSYKGKJVENL-UHFFFAOYSA-N 1 2 387.508 5.079 50 0 GKAALO CC(C)CN(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000006690207 570533395 /nfs/dbraw/zinc/53/33/95/570533395.db2.gz ROGVNBCJDWQEMU-UHFFFAOYSA-N 1 2 399.897 5.022 50 0 GKAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(C(=O)C2CCCC2)C2CCCCC2)c1 ZINC000006689122 570533752 /nfs/dbraw/zinc/53/37/52/570533752.db2.gz JCXFWNVVKIPCGJ-UHFFFAOYSA-N 1 2 393.575 5.400 50 0 GKAALO COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)cc1 ZINC000008591614 570535590 /nfs/dbraw/zinc/53/55/90/570535590.db2.gz YADAPVXUVCQQOA-UHFFFAOYSA-N 1 2 389.499 5.040 50 0 aggregator GKAALO C[NH+](C)C(C)(C)c1nnnn1[C@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000012381202 570542178 /nfs/dbraw/zinc/54/21/78/570542178.db2.gz KDNZZDWBTGESGU-HGPCXVNDSA-N 1 2 396.366 5.077 50 0 GKAALO Oc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc(Br)cc2)cc1 ZINC000035615907 570555794 /nfs/dbraw/zinc/55/57/94/570555794.db2.gz VFUUROOLWJWMNC-UHFFFAOYSA-N 1 2 380.245 5.213 50 0 GKAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(C)cc2C)ccc1O ZINC000035615715 570555838 /nfs/dbraw/zinc/55/58/38/570555838.db2.gz DPFDAMQZZIAMCB-UHFFFAOYSA-N 1 2 393.874 5.729 50 0 GKAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccccc2)cc(OC)c1O ZINC000035606590 570555980 /nfs/dbraw/zinc/55/59/80/570555980.db2.gz UYCYOBBBOCORET-UHFFFAOYSA-N 1 2 395.846 5.121 50 0 GKAALO COc1cc(-c2[nH+]c3cccc(C)n3c2Nc2cccc(Cl)c2)ccc1O ZINC000035616058 570556246 /nfs/dbraw/zinc/55/62/46/570556246.db2.gz WMZGDDVPNUCPSQ-UHFFFAOYSA-N 1 2 379.847 5.421 50 0 GKAALO Cc1ccc(Nc2c(-c3ccccc3O)[nH+]c3ccccn32)c(Br)c1 ZINC000035616401 570556253 /nfs/dbraw/zinc/55/62/53/570556253.db2.gz FFHZXCUMHVOOHO-UHFFFAOYSA-N 1 2 394.272 5.521 50 0 GKAALO COc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)[nH+]c2ccc(Cl)cn21 ZINC000035616322 570556315 /nfs/dbraw/zinc/55/63/15/570556315.db2.gz SFIDAUIDRJHNAZ-UHFFFAOYSA-N 1 2 392.890 5.473 50 0 GKAALO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000011714239 570580484 /nfs/dbraw/zinc/58/04/84/570580484.db2.gz WUZUYPZXKZJMQL-UHFFFAOYSA-N 1 2 378.369 5.440 50 0 GKAALO Cc1oc(-c2ccc(F)cc2)nc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000011714239 570580487 /nfs/dbraw/zinc/58/04/87/570580487.db2.gz WUZUYPZXKZJMQL-UHFFFAOYSA-N 1 2 378.369 5.440 50 0 GKAALO Cn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000011754049 570581532 /nfs/dbraw/zinc/58/15/32/570581532.db2.gz KVNAGWWVWWKERW-QHCPKHFHSA-N 1 2 397.526 5.204 50 0 GKAALO Cn1ccnc1[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000011754049 570581536 /nfs/dbraw/zinc/58/15/36/570581536.db2.gz KVNAGWWVWWKERW-QHCPKHFHSA-N 1 2 397.526 5.204 50 0 GKAALO Cc1cccn2c(Nc3cccc(Cl)c3C)c(-c3c[nH]c4ccccc43)[nH+]c12 ZINC000005453753 570598267 /nfs/dbraw/zinc/59/82/67/570598267.db2.gz ZYIALGDKWIBLSZ-UHFFFAOYSA-N 1 2 386.886 6.496 50 0 GKAALO Fc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000005460127 570600172 /nfs/dbraw/zinc/60/01/72/570600172.db2.gz JNGXLRWALCBKEI-TZIWHRDSSA-N 1 2 377.850 5.975 50 0 GKAALO Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000005459781 570600354 /nfs/dbraw/zinc/60/03/54/570600354.db2.gz BEUYECLFJIHHDZ-UYAOXDASSA-N 1 2 377.850 5.975 50 0 GKAALO Clc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005458494 570601854 /nfs/dbraw/zinc/60/18/54/570601854.db2.gz CAFKQBMEQHJCTH-PZJWPPBQSA-N 1 2 394.305 6.489 50 0 GKAALO Cc1cccc(-n2cc(C[N@@H+](C)[C@@H](C)c3ccon3)c(-c3cccc(F)c3)n2)c1 ZINC000012057211 570603045 /nfs/dbraw/zinc/60/30/45/570603045.db2.gz WYWWSFHVSWCUOF-KRWDZBQOSA-N 1 2 390.462 5.168 50 0 GKAALO Cc1cccc(-n2cc(C[N@H+](C)[C@@H](C)c3ccon3)c(-c3cccc(F)c3)n2)c1 ZINC000012057211 570603047 /nfs/dbraw/zinc/60/30/47/570603047.db2.gz WYWWSFHVSWCUOF-KRWDZBQOSA-N 1 2 390.462 5.168 50 0 GKAALO CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005461207 570604378 /nfs/dbraw/zinc/60/43/78/570604378.db2.gz PDEMWRQRXNPOBF-UPVQGACJSA-N 1 2 385.486 6.445 50 0 GKAALO Clc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005460707 570604406 /nfs/dbraw/zinc/60/44/06/570604406.db2.gz XCIZUYMMKIBRFW-TZIWHRDSSA-N 1 2 394.305 6.489 50 0 GKAALO Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2Cl)c2ccccc2)cc1Cl ZINC000003367206 570604794 /nfs/dbraw/zinc/60/47/94/570604794.db2.gz IXGWVZVAWJEKFT-NRFANRHFSA-N 1 2 399.321 5.771 50 0 GKAALO C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[N@H+](C)Cc1ccccc1F ZINC000003380179 570606314 /nfs/dbraw/zinc/60/63/14/570606314.db2.gz DTLWMUBZSXSONR-JTQLQIEISA-N 1 2 389.685 5.245 50 0 GKAALO C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[N@@H+](C)Cc1ccccc1F ZINC000003380179 570606317 /nfs/dbraw/zinc/60/63/17/570606317.db2.gz DTLWMUBZSXSONR-JTQLQIEISA-N 1 2 389.685 5.245 50 0 GKAALO Clc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccccc2Cl)cc1 ZINC000005477908 570607729 /nfs/dbraw/zinc/60/77/29/570607729.db2.gz DHFDFVAAEZJEGP-UHFFFAOYSA-N 1 2 387.295 5.415 50 0 GKAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cs1 ZINC000012228235 570628868 /nfs/dbraw/zinc/62/88/68/570628868.db2.gz ABRWXEOFKBRZFP-INIZCTEOSA-N 1 2 395.446 5.064 50 0 GKAALO CC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cs1 ZINC000012228235 570628870 /nfs/dbraw/zinc/62/88/70/570628870.db2.gz ABRWXEOFKBRZFP-INIZCTEOSA-N 1 2 395.446 5.064 50 0 GKAALO CCn1ccnc1C[N@H+](C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012306608 570639343 /nfs/dbraw/zinc/63/93/43/570639343.db2.gz YDAHVNIOBORWJV-UHFFFAOYSA-N 1 2 399.542 5.005 50 0 GKAALO CCn1ccnc1C[N@@H+](C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012306608 570639346 /nfs/dbraw/zinc/63/93/46/570639346.db2.gz YDAHVNIOBORWJV-UHFFFAOYSA-N 1 2 399.542 5.005 50 0 GKAALO CCn1cc[nH+]c1CN(C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012306608 570639350 /nfs/dbraw/zinc/63/93/50/570639350.db2.gz YDAHVNIOBORWJV-UHFFFAOYSA-N 1 2 399.542 5.005 50 0 GKAALO C[N@@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)Cc1nc2ccccc2[nH]1 ZINC000012316681 570641396 /nfs/dbraw/zinc/64/13/96/570641396.db2.gz FZRAHXBJFOPBTF-UHFFFAOYSA-N 1 2 393.494 5.252 50 0 GKAALO C[N@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)Cc1nc2ccccc2[nH]1 ZINC000012316681 570641400 /nfs/dbraw/zinc/64/14/00/570641400.db2.gz FZRAHXBJFOPBTF-UHFFFAOYSA-N 1 2 393.494 5.252 50 0 GKAALO CCOc1cc(C[NH2+][C@H](C)c2cn3ccsc3n2)c(Cl)cc1OC(C)C ZINC000055088871 570682083 /nfs/dbraw/zinc/68/20/83/570682083.db2.gz ORTBDDROMIHUHK-CYBMUJFWSA-N 1 2 393.940 5.086 50 0 GKAALO Cc1cc(Nc2cccc(Cl)c2)[nH+]c2ccc(NC(=O)c3cccs3)cc12 ZINC000006899654 570694680 /nfs/dbraw/zinc/69/46/80/570694680.db2.gz PHNSSVDBUPIPKE-UHFFFAOYSA-N 1 2 393.899 6.254 50 0 GKAALO C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000012806967 570718851 /nfs/dbraw/zinc/71/88/51/570718851.db2.gz GLFIYZBPIKPAKK-LBPRGKRZSA-N 1 2 399.903 5.091 50 0 GKAALO C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000012806967 570718854 /nfs/dbraw/zinc/71/88/54/570718854.db2.gz GLFIYZBPIKPAKK-LBPRGKRZSA-N 1 2 399.903 5.091 50 0 GKAALO COc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2c(C)cccc2C)cc1OC ZINC000004382596 570727161 /nfs/dbraw/zinc/72/71/61/570727161.db2.gz UZXVYQLLDIPOMY-UHFFFAOYSA-N 1 2 387.483 5.687 50 0 GKAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(Cl)c1SC(F)F ZINC000058342754 570728352 /nfs/dbraw/zinc/72/83/52/570728352.db2.gz ZEWZBEWAYVWEBL-UHFFFAOYSA-N 1 2 395.862 5.206 50 0 GKAALO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000007004070 570735622 /nfs/dbraw/zinc/73/56/22/570735622.db2.gz UMZILMHOWLZFKT-IBGZPJMESA-N 1 2 385.511 5.393 50 0 GKAALO Cc1ccc(NC(=O)[C@@H](Nc2ccc([NH+]3CCCC3)cc2)c2ccccc2)cc1 ZINC000007004004 570735635 /nfs/dbraw/zinc/73/56/35/570735635.db2.gz OIHQZCPIGFCUHW-DEOSSOPVSA-N 1 2 385.511 5.387 50 0 GKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3cccnc3Cl)cc12 ZINC000013362723 570754001 /nfs/dbraw/zinc/75/40/01/570754001.db2.gz ISLDLDYSYXATTJ-UHFFFAOYSA-N 1 2 394.906 5.080 50 0 GKAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2[C@H](C)CCCC(C)(C)O)n1 ZINC000065387347 570763889 /nfs/dbraw/zinc/76/38/89/570763889.db2.gz FQJFVOQREZHDRJ-LJQANCHMSA-N 1 2 394.563 5.108 50 0 GKAALO CCC[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000169620093 570784057 /nfs/dbraw/zinc/78/40/57/570784057.db2.gz LEZGVYQYVCUQBH-HOLAOCEGSA-N 1 2 376.327 6.001 50 0 GKAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)c(OC)c1 ZINC000032759688 570795114 /nfs/dbraw/zinc/79/51/14/570795114.db2.gz NPDQYQUDFXZRGK-SFHVURJKSA-N 1 2 386.542 5.226 50 0 GKAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccsc3)n2)c(OC)c1 ZINC000032759688 570795116 /nfs/dbraw/zinc/79/51/16/570795116.db2.gz NPDQYQUDFXZRGK-SFHVURJKSA-N 1 2 386.542 5.226 50 0 GKAALO c1c(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[nH+]c2ccccn12 ZINC000005990046 570812253 /nfs/dbraw/zinc/81/22/53/570812253.db2.gz JFWASNIIDVNSAK-UHFFFAOYSA-N 1 2 395.491 5.146 50 0 GKAALO COc1ccc(NC(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000033126373 570819074 /nfs/dbraw/zinc/81/90/74/570819074.db2.gz VXJBBSGVWSOGEV-UHFFFAOYSA-N 1 2 386.455 5.001 50 0 GKAALO O=C(NC1CCCCCCC1)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000012506338 570822184 /nfs/dbraw/zinc/82/21/84/570822184.db2.gz DGSNUTDKBVUGCI-UHFFFAOYSA-N 1 2 393.556 5.469 50 0 GKAALO COc1ccc(-c2cn3cc(-c4ccc(-c5ccccc5)cc4)[nH+]c3n2C)cc1 ZINC000004678665 570824712 /nfs/dbraw/zinc/82/47/12/570824712.db2.gz MKBWHLSBJRWECF-UHFFFAOYSA-N 1 2 379.463 5.682 50 0 GKAALO Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3cccc(Cl)c3)[nH+]c21 ZINC000004678687 570824981 /nfs/dbraw/zinc/82/49/81/570824981.db2.gz DVMGZIAIFNJQQB-UHFFFAOYSA-N 1 2 383.882 6.327 50 0 GKAALO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000007387531 570836168 /nfs/dbraw/zinc/83/61/68/570836168.db2.gz MGWUDSFEZPZXMB-QFIPXVFZSA-N 1 2 394.902 5.208 50 0 GKAALO Cc1cccn2cc(COc3cccc(C(=O)Nc4c(C)cccc4C)c3)[nH+]c12 ZINC000012540075 570838670 /nfs/dbraw/zinc/83/86/70/570838670.db2.gz RUERRRRHXUVXJX-UHFFFAOYSA-N 1 2 385.467 5.091 50 0 GKAALO CCc1cccc(C)c1NC(=O)c1cccc(OCc2cn3cccc(C)c3[nH+]2)c1 ZINC000012544688 570845487 /nfs/dbraw/zinc/84/54/87/570845487.db2.gz PAEZZNLJDDUAAB-UHFFFAOYSA-N 1 2 399.494 5.345 50 0 GKAALO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037208968 570847391 /nfs/dbraw/zinc/84/73/91/570847391.db2.gz VOXRVPIHSQKNLK-QFIPXVFZSA-N 1 2 396.581 5.519 50 0 GKAALO CC(C)c1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037208968 570847396 /nfs/dbraw/zinc/84/73/96/570847396.db2.gz VOXRVPIHSQKNLK-QFIPXVFZSA-N 1 2 396.581 5.519 50 0 GKAALO CCc1cccc(CC)c1NC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000003350130 570860078 /nfs/dbraw/zinc/86/00/78/570860078.db2.gz GHYHKRCCBDVUDP-UHFFFAOYSA-N 1 2 379.331 5.189 50 0 GKAALO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000003350130 570860083 /nfs/dbraw/zinc/86/00/83/570860083.db2.gz GHYHKRCCBDVUDP-UHFFFAOYSA-N 1 2 379.331 5.189 50 0 GKAALO CCn1c(CCc2cccc(NC(=O)c3ccc(C)cc3)c2)[nH+]c2ccccc21 ZINC000033261450 570878159 /nfs/dbraw/zinc/87/81/59/570878159.db2.gz MFABNSSAUOZXGK-UHFFFAOYSA-N 1 2 383.495 5.402 50 0 GKAALO CCCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000003658649 570881609 /nfs/dbraw/zinc/88/16/09/570881609.db2.gz GWFCVZYHHSAWAW-UHFFFAOYSA-N 1 2 391.515 6.509 50 0 GKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SC(C)C)cc1 ZINC000003658735 570881618 /nfs/dbraw/zinc/88/16/18/570881618.db2.gz IEHWITCTOFMCGP-UHFFFAOYSA-N 1 2 375.497 5.597 50 0 GKAALO CC[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658679 570881638 /nfs/dbraw/zinc/88/16/38/570881638.db2.gz DMGZYKXGFUHHJL-HNNXBMFYSA-N 1 2 377.488 6.117 50 0 GKAALO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2SCC(C)C ZINC000003658713 570881693 /nfs/dbraw/zinc/88/16/93/570881693.db2.gz SWGYXLQCWYMYBN-UHFFFAOYSA-N 1 2 389.524 5.844 50 0 GKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCC(C)C)cc1 ZINC000003658739 570881852 /nfs/dbraw/zinc/88/18/52/570881852.db2.gz GMMBUEOKDKPWDP-UHFFFAOYSA-N 1 2 389.524 5.844 50 0 GKAALO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)c1 ZINC000103623904 570887402 /nfs/dbraw/zinc/88/74/02/570887402.db2.gz FZEDWRHWDFUZCG-RUZDIDTESA-N 1 2 392.493 5.680 50 0 GKAALO Cc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)c1 ZINC000103623904 570887407 /nfs/dbraw/zinc/88/74/07/570887407.db2.gz FZEDWRHWDFUZCG-RUZDIDTESA-N 1 2 392.493 5.680 50 0 GKAALO Clc1ccc2[nH+]c(CNc3ncnc4scc(-c5ccccc5)c43)cn2c1 ZINC000032902544 570898321 /nfs/dbraw/zinc/89/83/21/570898321.db2.gz LIPWULQLYVUXNI-UHFFFAOYSA-N 1 2 391.887 5.272 50 0 GKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)CC3CCCC3)cc2)[nH+]1 ZINC000017013037 570923857 /nfs/dbraw/zinc/92/38/57/570923857.db2.gz VUVRZEKPNMJNKU-UHFFFAOYSA-N 1 2 393.535 5.038 50 0 GKAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017046820 570938194 /nfs/dbraw/zinc/93/81/94/570938194.db2.gz LUPHAEJLJYEVNL-JTQLQIEISA-N 1 2 399.825 5.126 50 0 GKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N(Cc2ccccc2)C(C)C)cc1Cl ZINC000017120840 570941858 /nfs/dbraw/zinc/94/18/58/570941858.db2.gz LACDCOVSAZDXTP-UHFFFAOYSA-N 1 2 391.906 5.192 50 0 GKAALO Clc1ccc2[nH+]c(CSc3nc4ccccc4n3-c3ccccc3)cn2c1 ZINC000012660845 570947711 /nfs/dbraw/zinc/94/77/11/570947711.db2.gz LUBUVIHIBCXABL-UHFFFAOYSA-N 1 2 390.899 5.619 50 0 GKAALO Cc1ccc(Nc2c(-c3ccc(C)cc3)[nH+]c3ccc(Br)cn32)cc1 ZINC000004733919 570948132 /nfs/dbraw/zinc/94/81/32/570948132.db2.gz WYFDEOBOTOWMMD-UHFFFAOYSA-N 1 2 392.300 6.124 50 0 GKAALO Cc1ccc2[nH+]c(-c3cccc(Br)c3)c(Nc3ccccc3C)n2c1 ZINC000004733769 570948231 /nfs/dbraw/zinc/94/82/31/570948231.db2.gz KTLJVTGTDGHEGB-UHFFFAOYSA-N 1 2 392.300 6.124 50 0 GKAALO CSc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(C)cc2)cc1 ZINC000004733955 570948567 /nfs/dbraw/zinc/94/85/67/570948567.db2.gz PIGKWWLAKZKQQK-UHFFFAOYSA-N 1 2 379.916 6.429 50 0 GKAALO Cc1ccc(Nc2c(-c3ccccc3)[nH+]c3ccc(Br)cn32)cc1 ZINC000004735133 570949090 /nfs/dbraw/zinc/94/90/90/570949090.db2.gz PNBWYEXTFVNWSC-UHFFFAOYSA-N 1 2 378.273 5.816 50 0 GKAALO Clc1ccc(Nc2c(-c3ccc(Cl)cc3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004733556 570949465 /nfs/dbraw/zinc/94/94/65/570949465.db2.gz PVDCCZQHXYYZQN-UHFFFAOYSA-N 1 2 388.685 6.705 50 0 GKAALO Cc1cccc(C)c1Nc1c(-c2ccsc2)[nH+]c2ccc(Br)cn21 ZINC000004733582 570949519 /nfs/dbraw/zinc/94/95/19/570949519.db2.gz SZCONBNZAHWMGJ-UHFFFAOYSA-N 1 2 398.329 6.186 50 0 GKAALO C/C(=C\c1ccccc1)c1[nH+]c2ccc(Cl)cn2c1Nc1c(C)cccc1C ZINC000004733564 570949568 /nfs/dbraw/zinc/94/95/68/570949568.db2.gz WVHZPSLPSLSNDO-NBVRZTHBSA-N 1 2 387.914 6.909 50 0 GKAALO COc1cc(C)[nH+]c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000033278723 570952929 /nfs/dbraw/zinc/95/29/29/570952929.db2.gz UVDDRTFJKWCLCS-UHFFFAOYSA-N 1 2 375.350 5.215 50 0 GKAALO Cc1ccc2[nH+]c(-c3ccc(C(C)(C)C)cc3)c(Nc3c(C)cccc3C)n2c1 ZINC000004756340 570966674 /nfs/dbraw/zinc/96/66/74/570966674.db2.gz KZNWRVPTPIIWSW-UHFFFAOYSA-N 1 2 383.539 6.968 50 0 GKAALO Cc1cccc(C[C@H](c2[nH]c3ccccc3[nH+]2)[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001409357 570985169 /nfs/dbraw/zinc/98/51/69/570985169.db2.gz MRZXGCVXVOWURN-HKUYNNGSSA-N 1 2 380.495 5.878 50 0 GKAALO C[N@@H+]1CCc2c(c3cc(F)ccc3n2CCc2ccc(C(F)(F)F)cc2)C1 ZINC000045335560 570990444 /nfs/dbraw/zinc/99/04/44/570990444.db2.gz JVPBPESGJIUWIZ-UHFFFAOYSA-N 1 2 376.397 5.030 50 0 GKAALO C[N@H+]1CCc2c(c3cc(F)ccc3n2CCc2ccc(C(F)(F)F)cc2)C1 ZINC000045335560 570990448 /nfs/dbraw/zinc/99/04/48/570990448.db2.gz JVPBPESGJIUWIZ-UHFFFAOYSA-N 1 2 376.397 5.030 50 0 GKAALO c1ccc2[nH]c(CC34CC5CC(C3)CC(Cc3[nH]c6ccccc6[nH+]3)(C5)C4)nc2c1 ZINC000004812617 570999087 /nfs/dbraw/zinc/99/90/87/570999087.db2.gz YKXYXNYUPKKFNT-UHFFFAOYSA-N 1 2 396.538 5.811 50 0 GKAALO CC[C@@H](C)NC(=O)[C@H](CC)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037398407 571005764 /nfs/dbraw/zinc/00/57/64/571005764.db2.gz KGUQGZQCYWCVBL-UTKZUKDTSA-N 1 2 395.522 5.249 50 0 GKAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C)c1 ZINC000037520117 571022782 /nfs/dbraw/zinc/02/27/82/571022782.db2.gz XFGKFLUEQDVKPT-FQEVSTJZSA-N 1 2 386.495 5.025 50 0 GKAALO Cc1cccc(C[N@H+]2CCN(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C)c1 ZINC000037520117 571022786 /nfs/dbraw/zinc/02/27/86/571022786.db2.gz XFGKFLUEQDVKPT-FQEVSTJZSA-N 1 2 386.495 5.025 50 0 GKAALO O=C(Nc1ccccc1)c1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000007726803 571025013 /nfs/dbraw/zinc/02/50/13/571025013.db2.gz WTDDEVNCFQNCGL-UHFFFAOYSA-N 1 2 386.451 5.327 50 0 GKAALO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2c(F)cccc2F)cc1 ZINC000037523380 571025019 /nfs/dbraw/zinc/02/50/19/571025019.db2.gz ZDCVCJWUKQDJQH-DEOSSOPVSA-N 1 2 380.482 5.885 50 0 GKAALO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2c(F)cccc2F)cc1 ZINC000037523380 571025022 /nfs/dbraw/zinc/02/50/22/571025022.db2.gz ZDCVCJWUKQDJQH-DEOSSOPVSA-N 1 2 380.482 5.885 50 0 GKAALO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2F)cc1 ZINC000037523572 571025074 /nfs/dbraw/zinc/02/50/74/571025074.db2.gz IKMILLGIUBHFBI-XMMPIXPASA-N 1 2 380.482 5.885 50 0 GKAALO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2F)cc1 ZINC000037523572 571025075 /nfs/dbraw/zinc/02/50/75/571025075.db2.gz IKMILLGIUBHFBI-XMMPIXPASA-N 1 2 380.482 5.885 50 0 GKAALO Cc1cc(-c2nnc(C[NH2+][C@@H](c3cccs3)c3ccc(F)cc3)o2)c(C)o1 ZINC000012772967 571026459 /nfs/dbraw/zinc/02/64/59/571026459.db2.gz GWBYRUTXAVUZQQ-LJQANCHMSA-N 1 2 383.448 5.026 50 0 GKAALO Clc1ccc(-c2nn(-c3ccccc3)cc2Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000007738230 571028477 /nfs/dbraw/zinc/02/84/77/571028477.db2.gz JTNZYEQXUIFMPJ-UHFFFAOYSA-N 1 2 384.870 5.660 50 0 GKAALO CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)cc1 ZINC000095372878 571062427 /nfs/dbraw/zinc/06/24/27/571062427.db2.gz YVQWYNUKBNJKIU-FQEVSTJZSA-N 1 2 379.548 5.001 50 0 GKAALO CC[C@H](C(=O)Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1ccccc1 ZINC000015863857 210176251 /nfs/dbraw/zinc/17/62/51/210176251.db2.gz ODXYNGMQFXSKDI-NRFANRHFSA-N 1 2 383.495 5.480 50 0 GKAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1ccc(F)c(Cl)c1 ZINC000015863898 210176081 /nfs/dbraw/zinc/17/60/81/210176081.db2.gz HSRUAXFLFYPCRN-UHFFFAOYSA-N 1 2 393.849 5.393 50 0 GKAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)CC2CCCCC2)c1 ZINC000015863704 210175598 /nfs/dbraw/zinc/17/55/98/210175598.db2.gz VVHLUAOZIAUHRO-UHFFFAOYSA-N 1 2 375.516 5.267 50 0 GKAALO COc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000013810866 210091394 /nfs/dbraw/zinc/09/13/94/210091394.db2.gz BZMIWERBIUDUEA-UNMCSNQZSA-N 1 2 389.886 5.845 50 0 GKAALO CCn1c(CCc2ccc(NC(=O)Nc3ccccc3)cc2)[nH+]c2ccccc21 ZINC000013348249 210059018 /nfs/dbraw/zinc/05/90/18/210059018.db2.gz QHOZCGAEXUXGKB-UHFFFAOYSA-N 1 2 384.483 5.485 50 0 GKAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1cccc(Cl)c1 ZINC000012919365 210030774 /nfs/dbraw/zinc/03/07/74/210030774.db2.gz VNUFURWAAYSCDL-IBGZPJMESA-N 1 2 388.945 5.049 50 0 GKAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1cccc(Cl)c1 ZINC000012919365 210030777 /nfs/dbraw/zinc/03/07/77/210030777.db2.gz VNUFURWAAYSCDL-IBGZPJMESA-N 1 2 388.945 5.049 50 0 GKAALO c1csc(-c2nc(C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)co2)c1 ZINC000012755105 210001829 /nfs/dbraw/zinc/00/18/29/210001829.db2.gz CULMQGCNCGFQMU-HXUWFJFHSA-N 1 2 378.522 5.612 50 0 GKAALO c1csc(-c2nc(C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)co2)c1 ZINC000012755105 210001834 /nfs/dbraw/zinc/00/18/34/210001834.db2.gz CULMQGCNCGFQMU-HXUWFJFHSA-N 1 2 378.522 5.612 50 0 GKAALO