smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(C)cc1C ZINC000000702213 210262534 /nfs/dbraw/zinc/26/25/34/210262534.db2.gz WXWTYQYAVQYZIE-UHFFFAOYSA-N 1 2 350.418 4.781 50 0 FJAALO CN(C(=O)/C=C\[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000000651230 219309122 /nfs/dbraw/zinc/30/91/22/219309122.db2.gz APZDUZRPYVDCLS-ZCXUNETKSA-N 1 2 356.469 4.866 50 0 FJAALO Clc1ccc([C@H]2[NH2+][C@@H]3c4c(ccc5ccccc54)OC[C@@H]3CO2)cc1 ZINC000003133126 204079818 /nfs/dbraw/zinc/07/98/18/204079818.db2.gz MTGORZUCYKQYBG-NQERJWCQSA-N 1 2 351.833 4.862 50 0 FJAALO COc1cccc(C[N@H+](C)[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000003434177 204100275 /nfs/dbraw/zinc/10/02/75/204100275.db2.gz QWHLMLFFCMTLRN-HSZRJFAPSA-N 1 2 374.484 4.815 50 0 FJAALO COc1cccc(C[N@@H+](C)[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000003434177 204100280 /nfs/dbraw/zinc/10/02/80/204100280.db2.gz QWHLMLFFCMTLRN-HSZRJFAPSA-N 1 2 374.484 4.815 50 0 FJAALO Cn1c(-c2ccc(Br)cc2)cn2cc(-c3ccccc3)[nH+]c21 ZINC000004678293 204153926 /nfs/dbraw/zinc/15/39/26/204153926.db2.gz WBADXHUPRLKJDI-UHFFFAOYSA-N 1 2 352.235 4.769 50 0 FJAALO CC1CC[NH+](Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)CC1 ZINC000004713920 204158338 /nfs/dbraw/zinc/15/83/38/204158338.db2.gz YJYZMBQPRMGVSE-UHFFFAOYSA-N 1 2 364.518 4.760 50 0 FJAALO CN(C(=O)/C=C/[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000004350202 204133913 /nfs/dbraw/zinc/13/39/13/204133913.db2.gz APZDUZRPYVDCLS-ISLYRVAYSA-N 1 2 356.469 4.866 50 0 FJAALO Cc1[nH+]c2ccccc2n1CC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000005628094 204218350 /nfs/dbraw/zinc/21/83/50/204218350.db2.gz YPKIBHUSKFWYTA-UHFFFAOYSA-N 1 2 369.468 4.574 50 0 FJAALO CC[N@@H+](Cc1cccc(F)c1)Cn1nc(C)n(-c2ccc(C)cc2)c1=S ZINC000007147382 204290066 /nfs/dbraw/zinc/29/00/66/204290066.db2.gz SKBKEOJIWQLUJM-UHFFFAOYSA-N 1 2 370.497 4.639 50 0 FJAALO CC[N@H+](Cc1cccc(F)c1)Cn1nc(C)n(-c2ccc(C)cc2)c1=S ZINC000007147382 204290070 /nfs/dbraw/zinc/29/00/70/204290070.db2.gz SKBKEOJIWQLUJM-UHFFFAOYSA-N 1 2 370.497 4.639 50 0 FJAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(C)C ZINC000006689066 204261352 /nfs/dbraw/zinc/26/13/52/204261352.db2.gz JYBUQLHJFNFCED-UHFFFAOYSA-N 1 2 365.880 4.507 50 0 FJAALO CCC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)CC(C)C ZINC000006689281 204261447 /nfs/dbraw/zinc/26/14/47/204261447.db2.gz QOZLNHAYZPVESX-UHFFFAOYSA-N 1 2 368.308 4.633 50 0 FJAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000007651102 204301562 /nfs/dbraw/zinc/30/15/62/204301562.db2.gz ALFQNSWURPRAGQ-UHFFFAOYSA-N 1 2 374.456 4.729 50 0 FJAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000007651102 204301566 /nfs/dbraw/zinc/30/15/66/204301566.db2.gz ALFQNSWURPRAGQ-UHFFFAOYSA-N 1 2 374.456 4.729 50 0 FJAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(Cl)cc1 ZINC000008133062 204318894 /nfs/dbraw/zinc/31/88/94/204318894.db2.gz ZRPJCUCXZVHLOF-MRXNPFEDSA-N 1 2 371.893 4.725 50 0 FJAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(Cl)cc1 ZINC000008133062 204318896 /nfs/dbraw/zinc/31/88/96/204318896.db2.gz ZRPJCUCXZVHLOF-MRXNPFEDSA-N 1 2 371.893 4.725 50 0 FJAALO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)C(=O)Nc1cccc2ccccc21 ZINC000008216577 204322051 /nfs/dbraw/zinc/32/20/51/204322051.db2.gz NBHKCZHUQKJFCJ-KRWDZBQOSA-N 1 2 359.473 4.879 50 0 FJAALO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000057463296 205240336 /nfs/dbraw/zinc/24/03/36/205240336.db2.gz HGJMMXNGQBDRAV-SGTLLEGYSA-N 1 2 363.288 4.664 50 0 FJAALO Cc1cc(C)cc(NC(=S)N2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000058096103 205249858 /nfs/dbraw/zinc/24/98/58/205249858.db2.gz UUUVBODKEFRONK-UHFFFAOYSA-N 1 2 373.953 4.819 50 0 FJAALO Cc1cc(C)cc(NC(=S)N2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000058096103 205249862 /nfs/dbraw/zinc/24/98/62/205249862.db2.gz UUUVBODKEFRONK-UHFFFAOYSA-N 1 2 373.953 4.819 50 0 FJAALO Cc1ccc(NC(=S)N2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C ZINC000058096172 205248756 /nfs/dbraw/zinc/24/87/56/205248756.db2.gz CCVLYIWUDOMZGR-UHFFFAOYSA-N 1 2 373.953 4.819 50 0 FJAALO Cc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C ZINC000058096172 205248760 /nfs/dbraw/zinc/24/87/60/205248760.db2.gz CCVLYIWUDOMZGR-UHFFFAOYSA-N 1 2 373.953 4.819 50 0 FJAALO Cc1cc(NCCc2ccccc2C(F)(F)F)nc(-c2ccncc2)[nH+]1 ZINC000060861157 205285061 /nfs/dbraw/zinc/28/50/61/205285061.db2.gz PFXUTPNVUHPRME-UHFFFAOYSA-N 1 2 358.367 4.520 50 0 FJAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](Cc2cccc(F)c2)CCO3)s1 ZINC000067878893 205399357 /nfs/dbraw/zinc/39/93/57/205399357.db2.gz OXNMDDIDVJMMDK-UHFFFAOYSA-N 1 2 369.461 4.963 50 0 FJAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](Cc2cccc(F)c2)CCO3)s1 ZINC000067878893 205399362 /nfs/dbraw/zinc/39/93/62/205399362.db2.gz OXNMDDIDVJMMDK-UHFFFAOYSA-N 1 2 369.461 4.963 50 0 FJAALO COc1ccc(CN(C)c2cc(C)c3cc(C)cc(C)c3[nH+]2)cc1OC ZINC000007814744 206211984 /nfs/dbraw/zinc/21/19/84/206211984.db2.gz WBSLIIAQJSCXGZ-UHFFFAOYSA-N 1 2 350.462 4.814 50 0 FJAALO Cc1[nH+]c2cc(NC(=O)c3cccnc3Cl)ccc2n1-c1ccccc1 ZINC000032971821 211580107 /nfs/dbraw/zinc/58/01/07/211580107.db2.gz MPOSEVYTJSAVJW-UHFFFAOYSA-N 1 2 362.820 4.635 50 0 FJAALO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCC(F)(F)CC1 ZINC000178952578 206308458 /nfs/dbraw/zinc/30/84/58/206308458.db2.gz GHTUPNUNERYWGJ-UHFFFAOYSA-N 1 2 359.420 4.650 50 0 FJAALO COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC2 ZINC000019608340 206326554 /nfs/dbraw/zinc/32/65/54/206326554.db2.gz XFFOCJFCOTUJID-SFHVURJKSA-N 1 2 352.261 4.588 50 0 FJAALO COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC2 ZINC000019608340 206326556 /nfs/dbraw/zinc/32/65/56/206326556.db2.gz XFFOCJFCOTUJID-SFHVURJKSA-N 1 2 352.261 4.588 50 0 FJAALO O=C(c1sc2ccccc2c1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522535 211285617 /nfs/dbraw/zinc/28/56/17/211285617.db2.gz LQMWCTWLTUCOFO-UHFFFAOYSA-N 1 2 370.905 4.513 50 0 FJAALO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019739597 211250657 /nfs/dbraw/zinc/25/06/57/211250657.db2.gz QFODUBTZDWBZMJ-OAHLLOKOSA-N 1 2 367.880 4.620 50 0 FJAALO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019739597 211250660 /nfs/dbraw/zinc/25/06/60/211250660.db2.gz QFODUBTZDWBZMJ-OAHLLOKOSA-N 1 2 367.880 4.620 50 0 FJAALO Cc1ccc2c(CC(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)coc2c1C ZINC000018047676 211189652 /nfs/dbraw/zinc/18/96/52/211189652.db2.gz UHOXGUGUPFYIII-QGZVFWFLSA-N 1 2 373.456 4.655 50 0 FJAALO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(-c2nccs2)cc1 ZINC000017590603 211187397 /nfs/dbraw/zinc/18/73/97/211187397.db2.gz CRZNNXMDBOELSU-XCVCLJGOSA-N 1 2 372.453 4.648 50 0 FJAALO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000016694690 211166986 /nfs/dbraw/zinc/16/69/86/211166986.db2.gz PVDIFMABMWKVGE-QWRGUYRKSA-N 1 2 362.260 4.642 50 0 FJAALO COc1cccc(C(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000015863717 211148034 /nfs/dbraw/zinc/14/80/34/211148034.db2.gz AZXYIPUVZAGHQN-UHFFFAOYSA-N 1 2 371.440 4.609 50 0 FJAALO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cc(-c3ccccc3)on2)cc1C ZINC000015066190 211117882 /nfs/dbraw/zinc/11/78/82/211117882.db2.gz CNYDDKXEKIRMGH-UHFFFAOYSA-N 1 2 372.472 4.981 50 0 FJAALO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cc(-c3ccccc3)on2)cc1C ZINC000015066190 211117886 /nfs/dbraw/zinc/11/78/86/211117886.db2.gz CNYDDKXEKIRMGH-UHFFFAOYSA-N 1 2 372.472 4.981 50 0 FJAALO C[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)C1 ZINC000013098977 211021791 /nfs/dbraw/zinc/02/17/91/211021791.db2.gz CBOUKYXEIJXPQL-SNVBAGLBSA-N 1 2 357.310 4.604 50 0 FJAALO C[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)C1 ZINC000013098977 211021793 /nfs/dbraw/zinc/02/17/93/211021793.db2.gz CBOUKYXEIJXPQL-SNVBAGLBSA-N 1 2 357.310 4.604 50 0 FJAALO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H]2c2ccccc2)c1=S ZINC000012924597 211009327 /nfs/dbraw/zinc/00/93/27/211009327.db2.gz SVSMSMYTNFQAMS-SFHVURJKSA-N 1 2 368.481 4.552 50 0 FJAALO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H]2c2ccccc2)c1=S ZINC000012924597 211009330 /nfs/dbraw/zinc/00/93/30/211009330.db2.gz SVSMSMYTNFQAMS-SFHVURJKSA-N 1 2 368.481 4.552 50 0 FJAALO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)cc1 ZINC000011815572 210896882 /nfs/dbraw/zinc/89/68/82/210896882.db2.gz NADVLCCDJWSBTB-QGZVFWFLSA-N 1 2 373.543 4.768 50 0 FJAALO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)cc1 ZINC000011815572 210896889 /nfs/dbraw/zinc/89/68/89/210896889.db2.gz NADVLCCDJWSBTB-QGZVFWFLSA-N 1 2 373.543 4.768 50 0 FJAALO CN(C)c1ccc2c([nH+]1)C[C@@H](c1ccccc1)c1cnn(-c3ccccc3)c1-2 ZINC000000978753 210297566 /nfs/dbraw/zinc/29/75/66/210297566.db2.gz WAAJFEVZUHOEDZ-FQEVSTJZSA-N 1 2 366.468 4.688 50 0 FJAALO O=C(/C=C/c1ccccc1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130219 221139554 /nfs/dbraw/zinc/13/95/54/221139554.db2.gz SDHKRYISUJEXFV-VAWYXSNFSA-N 1 2 371.484 4.502 50 0 FJAALO Cc1ccccc1CNc1c(C(=O)N2CCCC2)c[nH+]c2ccc(F)cc21 ZINC000067288299 221250807 /nfs/dbraw/zinc/25/08/07/221250807.db2.gz VRZKJRXCUVNQLZ-UHFFFAOYSA-N 1 2 363.436 4.530 50 0 FJAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000084414508 221721260 /nfs/dbraw/zinc/72/12/60/221721260.db2.gz URIWMWFSZCENAN-UHFFFAOYSA-N 1 2 359.307 4.540 50 0 FJAALO Cc1nc(C(C)C)c(C(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)s1 ZINC000096232771 222092835 /nfs/dbraw/zinc/09/28/35/222092835.db2.gz ZAUZBVMPXBZAAL-UHFFFAOYSA-N 1 2 356.495 4.837 50 0 FJAALO CCCOc1ccc(C[NH2+]C2(c3noc(C)n3)CCCCCC2)cc1OC ZINC000097000641 222149820 /nfs/dbraw/zinc/14/98/20/222149820.db2.gz SUTPXLKQGBSSJY-UHFFFAOYSA-N 1 2 373.497 4.515 50 0 FJAALO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000100617126 222247856 /nfs/dbraw/zinc/24/78/56/222247856.db2.gz SFOJMBQOQFMTTM-UHFFFAOYSA-N 1 2 373.412 4.530 50 0 FJAALO C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1[NH2+]Cc1ccccc1 ZINC000020158915 524238791 /nfs/dbraw/zinc/23/87/91/524238791.db2.gz YWOAWFNZYDOKRA-NTKDMRAZSA-N 1 2 370.496 4.952 50 0 FJAALO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)no1 ZINC000216537733 525540477 /nfs/dbraw/zinc/54/04/77/525540477.db2.gz VSJDHBRWSXJDEF-JOCHJYFZSA-N 1 2 363.461 4.684 50 0 FJAALO Cc1cc([C@H]2CCCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)no1 ZINC000216537733 525540485 /nfs/dbraw/zinc/54/04/85/525540485.db2.gz VSJDHBRWSXJDEF-JOCHJYFZSA-N 1 2 363.461 4.684 50 0 FJAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2csc(C(C)=O)c2)C1 ZINC000020599061 526153251 /nfs/dbraw/zinc/15/32/51/526153251.db2.gz YNBAVKQFJMIDCC-MRXNPFEDSA-N 1 2 373.543 4.768 50 0 FJAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2csc(C(C)=O)c2)C1 ZINC000020599061 526153261 /nfs/dbraw/zinc/15/32/61/526153261.db2.gz YNBAVKQFJMIDCC-MRXNPFEDSA-N 1 2 373.543 4.768 50 0 FJAALO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2csc(C(C)=O)c2)C1 ZINC000020599062 526153580 /nfs/dbraw/zinc/15/35/80/526153580.db2.gz YNBAVKQFJMIDCC-INIZCTEOSA-N 1 2 373.543 4.768 50 0 FJAALO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2csc(C(C)=O)c2)C1 ZINC000020599062 526153590 /nfs/dbraw/zinc/15/35/90/526153590.db2.gz YNBAVKQFJMIDCC-INIZCTEOSA-N 1 2 373.543 4.768 50 0 FJAALO Cc1cc(C(=O)C[N@@H+]2CCc3sccc3C2)c(C)n1Cc1cccs1 ZINC000085572395 526209066 /nfs/dbraw/zinc/20/90/66/526209066.db2.gz JQPNMKGAANAVQL-UHFFFAOYSA-N 1 2 370.543 4.517 50 0 FJAALO Cc1cc(C(=O)C[N@H+]2CCc3sccc3C2)c(C)n1Cc1cccs1 ZINC000085572395 526209075 /nfs/dbraw/zinc/20/90/75/526209075.db2.gz JQPNMKGAANAVQL-UHFFFAOYSA-N 1 2 370.543 4.517 50 0 FJAALO Cc1csc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000078815126 526341477 /nfs/dbraw/zinc/34/14/77/526341477.db2.gz WNKYOLPBZLPKML-UHFFFAOYSA-N 1 2 374.513 4.936 50 0 FJAALO Cc1csc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000078815126 526341482 /nfs/dbraw/zinc/34/14/82/526341482.db2.gz WNKYOLPBZLPKML-UHFFFAOYSA-N 1 2 374.513 4.936 50 0 FJAALO CC(=O)c1cc(C[N@H+](Cc2scnc2C)Cc2ccccc2)cs1 ZINC000215211850 568058061 /nfs/dbraw/zinc/05/80/61/568058061.db2.gz IURMIXOETIEHDG-UHFFFAOYSA-N 1 2 356.516 4.918 50 0 FJAALO CC(=O)c1cc(C[N@@H+](Cc2scnc2C)Cc2ccccc2)cs1 ZINC000215211850 568058062 /nfs/dbraw/zinc/05/80/62/568058062.db2.gz IURMIXOETIEHDG-UHFFFAOYSA-N 1 2 356.516 4.918 50 0 FJAALO Cn1cc[nH+]c1-c1ccccc1C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000092001650 570444401 /nfs/dbraw/zinc/44/44/01/570444401.db2.gz LYDNOALDIZIWAZ-FQEVSTJZSA-N 1 2 373.500 4.715 50 0 FJAALO O=C(c1ccccc1-c1ccccc1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000092037976 570445636 /nfs/dbraw/zinc/44/56/36/570445636.db2.gz WLTRUWMSFSYZNS-HXUWFJFHSA-N 1 2 359.473 4.635 50 0 FJAALO Fc1ccc(-c2ccc(C[NH2+]Cc3nc4ccccc4[nH]3)o2)cc1Cl ZINC000113398087 570544244 /nfs/dbraw/zinc/54/42/44/570544244.db2.gz IOEXNSCEZSIYAL-UHFFFAOYSA-N 1 2 355.800 4.905 50 0 FJAALO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000034915257 570562854 /nfs/dbraw/zinc/56/28/54/570562854.db2.gz CPLHHROBOLTQDK-UHFFFAOYSA-N 1 2 353.510 4.869 50 0 FJAALO Cc1[nH+]c2ccc(C)cc2n1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000034915267 570563013 /nfs/dbraw/zinc/56/30/13/570563013.db2.gz FEYOMSYSLIUUDT-UHFFFAOYSA-N 1 2 361.489 4.747 50 0 FJAALO Cc1cccc2[nH+]c(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000004733655 570603579 /nfs/dbraw/zinc/60/35/79/570603579.db2.gz NGHYBIRSZYVWHL-UHFFFAOYSA-N 1 2 373.412 4.530 50 0 FJAALO Fc1ccc(CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000005574565 570676639 /nfs/dbraw/zinc/67/66/39/570676639.db2.gz NQEJNRQHACNNHW-UHFFFAOYSA-N 1 2 370.840 4.900 50 0 FJAALO C[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)Cc1ccccc1 ZINC000012372814 570739590 /nfs/dbraw/zinc/73/95/90/570739590.db2.gz NLLRFTVMSPBYDW-UHFFFAOYSA-N 1 2 369.468 4.882 50 0 FJAALO C[N@@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)Cc1ccccc1 ZINC000012372814 570739591 /nfs/dbraw/zinc/73/95/91/570739591.db2.gz NLLRFTVMSPBYDW-UHFFFAOYSA-N 1 2 369.468 4.882 50 0 FJAALO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc(F)cc1 ZINC000012751897 570760017 /nfs/dbraw/zinc/76/00/17/570760017.db2.gz IPDZTMBJUUXLLP-UHFFFAOYSA-N 1 2 365.330 4.527 50 0 FJAALO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc(F)cc1 ZINC000012751897 570760021 /nfs/dbraw/zinc/76/00/21/570760021.db2.gz IPDZTMBJUUXLLP-UHFFFAOYSA-N 1 2 365.330 4.527 50 0 FJAALO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1=S 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354.538 4.596 50 0 FJAALO CCCn1c2ccccc2n(CCOc2ccc(C(C)(C)C)cc2)c1=[NH2+] ZINC000019808866 570903823 /nfs/dbraw/zinc/90/38/23/570903823.db2.gz VGRAKZPNYWFBCQ-UHFFFAOYSA-N 1 2 351.494 4.709 50 0 FJAALO COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1 ZINC000021720070 570933496 /nfs/dbraw/zinc/93/34/96/570933496.db2.gz CMEMMFYHTNHCMH-LJQANCHMSA-N 1 2 366.465 4.534 50 0 FJAALO COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1 ZINC000021720070 570933499 /nfs/dbraw/zinc/93/34/99/570933499.db2.gz CMEMMFYHTNHCMH-LJQANCHMSA-N 1 2 366.465 4.534 50 0 FJAALO Cc1sc2ncnc(N3CCC(c4[nH]c5ccccc5[nH+]4)CC3)c2c1C ZINC000022201484 570941039 /nfs/dbraw/zinc/94/10/39/570941039.db2.gz FPOHFXGZGQUCBT-UHFFFAOYSA-N 1 2 363.490 4.568 50 0 FJAALO COc1cccc(C[NH2+][C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000023909356 570969023 /nfs/dbraw/zinc/96/90/23/570969023.db2.gz DFHPUTKVOOFOGF-QHCPKHFHSA-N 1 2 370.452 4.890 50 0 FJAALO C=C1c2ccccc2NC(=O)N1C[C@@H](c1c(F)cccc1Cl)[NH+](C)C ZINC000025057277 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CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 ZINC000000682924 219313114 /nfs/dbraw/zinc/31/31/14/219313114.db2.gz GWJKFGBVPRTXTO-UHFFFAOYSA-N 1 2 368.502 4.795 50 0 FJAALO Clc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccn2)cc1Cl ZINC000328593630 223116063 /nfs/dbraw/zinc/11/60/63/223116063.db2.gz PYCHBBQNBIFZMO-UHFFFAOYSA-N 1 2 358.272 4.986 50 0 FJAALO Clc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccn2)cc1Cl ZINC000328593630 223116064 /nfs/dbraw/zinc/11/60/64/223116064.db2.gz PYCHBBQNBIFZMO-UHFFFAOYSA-N 1 2 358.272 4.986 50 0 FJAALO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](Cc1ccccn1)C2 ZINC000064023984 212035409 /nfs/dbraw/zinc/03/54/09/212035409.db2.gz ZUVNCZUGTITDKE-UHFFFAOYSA-N 1 2 366.848 4.502 50 0 FJAALO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](Cc1ccccn1)C2 ZINC000064023984 212035413 /nfs/dbraw/zinc/03/54/13/212035413.db2.gz ZUVNCZUGTITDKE-UHFFFAOYSA-N 1 2 366.848 4.502 50 0 FJAALO Cc1csc([C@@H](C)NC(=O)c2cccc(-c3cc(C)cc(C)[nH+]3)c2)n1 ZINC000299778954 203766664 /nfs/dbraw/zinc/76/66/64/203766664.db2.gz 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212015479 /nfs/dbraw/zinc/01/54/79/212015479.db2.gz KKAPZRPQVFVHGZ-GFCCVEGCSA-N 1 2 364.823 4.782 50 0 FJAALO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)Nc1cc(F)ccc1F)C1CC1 ZINC000059334008 212015483 /nfs/dbraw/zinc/01/54/83/212015483.db2.gz KKAPZRPQVFVHGZ-GFCCVEGCSA-N 1 2 364.823 4.782 50 0 FJAALO COc1ccc2cc(C[N@H+](Cc3ccc(C)o3)C3CC3)c(Cl)nc2c1 ZINC000058357306 212006375 /nfs/dbraw/zinc/00/63/75/212006375.db2.gz GJNKFWVBKMXSOD-UHFFFAOYSA-N 1 2 356.853 4.963 50 0 FJAALO COc1ccc2cc(C[N@@H+](Cc3ccc(C)o3)C3CC3)c(Cl)nc2c1 ZINC000058357306 212006377 /nfs/dbraw/zinc/00/63/77/212006377.db2.gz GJNKFWVBKMXSOD-UHFFFAOYSA-N 1 2 356.853 4.963 50 0 FJAALO CC(C)c1ccc(CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000036391711 205014778 /nfs/dbraw/zinc/01/47/78/205014778.db2.gz SNMZHTXMIADBBU-UHFFFAOYSA-N 1 2 373.500 4.860 50 0 FJAALO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000036666369 205020184 /nfs/dbraw/zinc/02/01/84/205020184.db2.gz VBFGVRUOCFBNHL-HNNXBMFYSA-N 1 2 353.491 4.885 50 0 FJAALO C[N@H+](Cc1nc(Cc2ccccc2)no1)C(c1ccccc1)c1ccccc1 ZINC000040118749 205057067 /nfs/dbraw/zinc/05/70/67/205057067.db2.gz YCWWCZQZYUPEPN-UHFFFAOYSA-N 1 2 369.468 4.882 50 0 FJAALO C[N@@H+](Cc1nc(Cc2ccccc2)no1)C(c1ccccc1)c1ccccc1 ZINC000040118749 205057071 /nfs/dbraw/zinc/05/70/71/205057071.db2.gz YCWWCZQZYUPEPN-UHFFFAOYSA-N 1 2 369.468 4.882 50 0 FJAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1SC1CCCC1 ZINC000054845399 205202787 /nfs/dbraw/zinc/20/27/87/205202787.db2.gz OTCCKWFPDLBNAD-UHFFFAOYSA-N 1 2 364.474 4.554 50 0 FJAALO Cc1cccc2oc(Cn3c[nH+]c(-c4ccccc4)c3[C@H]3CCOC3)nc21 ZINC000065460151 205351648 /nfs/dbraw/zinc/35/16/48/205351648.db2.gz VEFFJJNGNOXHES-KRWDZBQOSA-N 1 2 359.429 4.552 50 0 FJAALO Cc1cn2cc(NC(=O)CCCOc3cccc4ccccc43)ccc2[nH+]1 ZINC000065565512 205360504 /nfs/dbraw/zinc/36/05/04/205360504.db2.gz ZQEJPIXHBYKZIB-UHFFFAOYSA-N 1 2 359.429 4.594 50 0 FJAALO C[C@H](CCCC(C)(C)O)n1c[nH+]c(-c2ccccc2)c1C1CCOCC1 ZINC000065409614 205348295 /nfs/dbraw/zinc/34/82/95/205348295.db2.gz RWFCUEZYCXCMOB-QGZVFWFLSA-N 1 2 356.510 4.946 50 0 FJAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1C[C@@H]1OCCc2ccccc21 ZINC000067769516 205388740 /nfs/dbraw/zinc/38/87/40/205388740.db2.gz OZZAKRZLIDMAQH-FQEVSTJZSA-N 1 2 370.456 4.563 50 0 FJAALO Brc1ccc2ncnc(Nc3ccc([NH+]4CCCC4)cc3)c2c1 ZINC000000951937 206143531 /nfs/dbraw/zinc/14/35/31/206143531.db2.gz GTHUJOLFLLKBES-UHFFFAOYSA-N 1 2 369.266 4.736 50 0 FJAALO Cc1ccc(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1 ZINC000004500395 206178656 /nfs/dbraw/zinc/17/86/56/206178656.db2.gz WNNLSGRMZWBLCV-HNNXBMFYSA-N 1 2 370.497 4.630 50 0 FJAALO Cc1cccc(Nc2nnc(SCc3cn4ccccc4[nH+]3)s2)c1 ZINC000012659208 206295040 /nfs/dbraw/zinc/29/50/40/206295040.db2.gz DZQDYEIEHBKIAG-UHFFFAOYSA-N 1 2 353.476 4.530 50 0 FJAALO c1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3cnc(C4CCCCC4)nc3)nc2c1 ZINC000215604160 206349541 /nfs/dbraw/zinc/34/95/41/206349541.db2.gz HCKSXGVQQVYNJD-FQEVSTJZSA-N 1 2 361.493 4.738 50 0 FJAALO c1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3cnc(C4CCCCC4)nc3)nc2c1 ZINC000215604160 206349546 /nfs/dbraw/zinc/34/95/46/206349546.db2.gz HCKSXGVQQVYNJD-FQEVSTJZSA-N 1 2 361.493 4.738 50 0 FJAALO COc1ccccc1C[NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000022056695 211336525 /nfs/dbraw/zinc/33/65/25/211336525.db2.gz GVROOAQHTKAPTH-QHCPKHFHSA-N 1 2 370.452 4.890 50 0 FJAALO CCCCCCOc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019634945 211242125 /nfs/dbraw/zinc/24/21/25/211242125.db2.gz SHGDXYQJQIQFQD-UHFFFAOYSA-N 1 2 366.549 4.964 50 0 FJAALO COc1ccc(C2N(Cc3ccccc3)CC[N@@H+]2Cc2ccccc2)cc1 ZINC000019323987 211214560 /nfs/dbraw/zinc/21/45/60/211214560.db2.gz YQBLZBIKFFYZJG-UHFFFAOYSA-N 1 2 358.485 4.712 50 0 FJAALO COc1ccc(C2N(Cc3ccccc3)CC[N@H+]2Cc2ccccc2)cc1 ZINC000019323987 211214567 /nfs/dbraw/zinc/21/45/67/211214567.db2.gz YQBLZBIKFFYZJG-UHFFFAOYSA-N 1 2 358.485 4.712 50 0 FJAALO Cc1cccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000016903717 211172063 /nfs/dbraw/zinc/17/20/63/211172063.db2.gz KAGLQFAZTTUZRI-LJQANCHMSA-N 1 2 364.489 4.832 50 0 FJAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1cccc(F)c1 ZINC000015863655 211148009 /nfs/dbraw/zinc/14/80/09/211148009.db2.gz MKPYTPGATWLBEZ-UHFFFAOYSA-N 1 2 359.404 4.740 50 0 FJAALO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000015077497 211120731 /nfs/dbraw/zinc/12/07/31/211120731.db2.gz IKPXAEVVZRHRAG-HNNXBMFYSA-N 1 2 374.937 4.770 50 0 FJAALO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000015077497 211120737 /nfs/dbraw/zinc/12/07/37/211120737.db2.gz IKPXAEVVZRHRAG-HNNXBMFYSA-N 1 2 374.937 4.770 50 0 FJAALO C/C=C(\C)C[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000015070537 211118468 /nfs/dbraw/zinc/11/84/68/211118468.db2.gz YPQMFIJWBZMBHW-LZWSPWQCSA-N 1 2 366.486 4.830 50 0 FJAALO C/C=C(\C)C[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000015070537 211118472 /nfs/dbraw/zinc/11/84/72/211118472.db2.gz YPQMFIJWBZMBHW-LZWSPWQCSA-N 1 2 366.486 4.830 50 0 FJAALO CCCc1ccc([C@H](Nc2[nH+]cnc3c2cnn3C)c2cccs2)cc1 ZINC000012971956 211012683 /nfs/dbraw/zinc/01/26/83/211012683.db2.gz ZAEHXVFEIDINCB-SFHVURJKSA-N 1 2 363.490 4.579 50 0 FJAALO Cn1c(-c2ccc(F)cc2)cn2cc(-c3cccc(Br)c3)[nH+]c12 ZINC000004678222 210550664 /nfs/dbraw/zinc/55/06/64/210550664.db2.gz IFXLTYPPYNWHJM-UHFFFAOYSA-N 1 2 370.225 4.908 50 0 FJAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NCc2cccc(Cl)c2)cc1 ZINC000001467508 210356067 /nfs/dbraw/zinc/35/60/67/210356067.db2.gz UFPXQOWFDXORNC-UHFFFAOYSA-N 1 2 370.243 4.734 50 0 FJAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1cccc(Cl)c1 ZINC000000948626 210293789 /nfs/dbraw/zinc/29/37/89/210293789.db2.gz YMDSJQUOTROVTR-UHFFFAOYSA-N 1 2 356.809 4.817 50 0 FJAALO Fc1ccc([C@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCO2)cc1 ZINC000048236053 221001565 /nfs/dbraw/zinc/00/15/65/221001565.db2.gz PSBGVJIOIFFIOM-HXUWFJFHSA-N 1 2 372.827 4.708 50 0 FJAALO Fc1ccc([C@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCO2)cc1 ZINC000048236053 221001568 /nfs/dbraw/zinc/00/15/68/221001568.db2.gz PSBGVJIOIFFIOM-HXUWFJFHSA-N 1 2 372.827 4.708 50 0 FJAALO O=C(Nc1ccccc1)c1cccc(Cn2c[nH+]c3cc(F)c(F)cc32)c1 ZINC000054183311 221051806 /nfs/dbraw/zinc/05/18/06/221051806.db2.gz OVCCOTLGCNFCRA-UHFFFAOYSA-N 1 2 363.367 4.615 50 0 FJAALO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](Cc1ccsc1)C2 ZINC000067741294 221279312 /nfs/dbraw/zinc/27/93/12/221279312.db2.gz FUBQOMCZZGUUBM-UHFFFAOYSA-N 1 2 372.877 4.564 50 0 FJAALO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](Cc1ccsc1)C2 ZINC000067741294 221279313 /nfs/dbraw/zinc/27/93/13/221279313.db2.gz FUBQOMCZZGUUBM-UHFFFAOYSA-N 1 2 372.877 4.564 50 0 FJAALO CCCc1ccc(C[N@@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)o1 ZINC000067742664 221280570 /nfs/dbraw/zinc/28/05/70/221280570.db2.gz UFBUKATWONQMCH-UHFFFAOYSA-N 1 2 358.388 4.724 50 0 FJAALO CCCc1ccc(C[N@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)o1 ZINC000067742664 221280576 /nfs/dbraw/zinc/28/05/76/221280576.db2.gz UFBUKATWONQMCH-UHFFFAOYSA-N 1 2 358.388 4.724 50 0 FJAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](Cc2cccc(C)n2)CCO3)s1 ZINC000067789757 221286207 /nfs/dbraw/zinc/28/62/07/221286207.db2.gz NXWZJJCSDJKWDK-UHFFFAOYSA-N 1 2 366.486 4.527 50 0 FJAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](Cc2cccc(C)n2)CCO3)s1 ZINC000067789757 221286209 /nfs/dbraw/zinc/28/62/09/221286209.db2.gz NXWZJJCSDJKWDK-UHFFFAOYSA-N 1 2 366.486 4.527 50 0 FJAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1CCCc1ccccc1O ZINC000067867068 221296539 /nfs/dbraw/zinc/29/65/39/221296539.db2.gz NODPNKNONCDKPQ-UHFFFAOYSA-N 1 2 358.445 4.587 50 0 FJAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1Cc1cnc2ccccc2c1 ZINC000067871351 221298870 /nfs/dbraw/zinc/29/88/70/221298870.db2.gz QNYBDUQLSNIRIT-UHFFFAOYSA-N 1 2 365.440 4.845 50 0 FJAALO O=C(C[NH+]1CCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000848814 132378959 /nfs/dbraw/zinc/37/89/59/132378959.db2.gz VBKSJLAPKJNYGO-UHFFFAOYSA-N 1 2 358.894 4.955 50 0 FJAALO Clc1cccc(N2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000055292203 136126375 /nfs/dbraw/zinc/12/63/75/136126375.db2.gz ZERALKDNTNPIKK-UHFFFAOYSA-N 1 2 355.696 4.969 50 0 FJAALO C[N@H+](Cc1nc(-c2ccco2)no1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000096996611 222149509 /nfs/dbraw/zinc/14/95/09/222149509.db2.gz OWMICQDWRWTCKH-HXUWFJFHSA-N 1 2 363.392 4.690 50 0 FJAALO C[N@@H+](Cc1nc(-c2ccco2)no1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000096996611 222149510 /nfs/dbraw/zinc/14/95/10/222149510.db2.gz OWMICQDWRWTCKH-HXUWFJFHSA-N 1 2 363.392 4.690 50 0 FJAALO CCC[C@@H](C)c1n[nH]c2c1C[N@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724738 520676007 /nfs/dbraw/zinc/67/60/07/520676007.db2.gz MZUGPDVKLYDSDC-DNVCBOLYSA-N 1 2 357.498 4.706 50 0 FJAALO CCC[C@@H](C)c1n[nH]c2c1C[N@@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724738 520676017 /nfs/dbraw/zinc/67/60/17/520676017.db2.gz MZUGPDVKLYDSDC-DNVCBOLYSA-N 1 2 357.498 4.706 50 0 FJAALO CCC[C@@H](C)c1[nH]nc2c1C[N@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724738 520676029 /nfs/dbraw/zinc/67/60/29/520676029.db2.gz MZUGPDVKLYDSDC-DNVCBOLYSA-N 1 2 357.498 4.706 50 0 FJAALO CCC[C@@H](C)c1[nH]nc2c1C[N@@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724738 520676035 /nfs/dbraw/zinc/67/60/35/520676035.db2.gz 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ZINC000020599998 527512625 /nfs/dbraw/zinc/51/26/25/527512625.db2.gz SWFDPRQUKVMOEC-UHFFFAOYSA-N 1 2 365.440 4.547 50 0 FJAALO Cn1c[nH+]cc1Cn1ccc(-c2cccc(-c3ccc4ncccc4c3)c2)n1 ZINC000020855061 527512650 /nfs/dbraw/zinc/51/26/50/527512650.db2.gz ZACIGNKSHWOYGH-UHFFFAOYSA-N 1 2 365.440 4.547 50 0 FJAALO Cc1ccc(Oc2ncccc2C[NH2+]Cc2c(F)cccc2Cl)cn1 ZINC000012320670 568142645 /nfs/dbraw/zinc/14/26/45/568142645.db2.gz NAFRWAMQYFWNAD-UHFFFAOYSA-N 1 2 357.816 4.660 50 0 FJAALO CCN(CC)c1cc(C)c2cc(NC(=O)NC3CCCCC3)ccc2[nH+]1 ZINC000032953971 568440105 /nfs/dbraw/zinc/44/01/05/568440105.db2.gz COVKNHBWSAGIPJ-UHFFFAOYSA-N 1 2 354.498 4.844 50 0 FJAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc3cc(C)oc32)C1 ZINC000095365297 570455050 /nfs/dbraw/zinc/45/50/50/570455050.db2.gz SEBSNZPYBUNJRZ-GOSISDBHSA-N 1 2 365.477 4.758 50 0 FJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N(CC(C)C)CC(C)C)c(C)c1 ZINC000003912231 570572319 /nfs/dbraw/zinc/57/23/19/570572319.db2.gz QLMGUTMPFXNXME-UHFFFAOYSA-N 1 2 351.498 4.551 50 0 FJAALO C[C@@H](c1ccon1)[N@H+](C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012301771 570733869 /nfs/dbraw/zinc/73/38/69/570733869.db2.gz KHAXBWDAURYEBN-INIZCTEOSA-N 1 2 358.445 4.925 50 0 FJAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012301771 570733871 /nfs/dbraw/zinc/73/38/71/570733871.db2.gz KHAXBWDAURYEBN-INIZCTEOSA-N 1 2 358.445 4.925 50 0 FJAALO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]2c2nccs2)c(C)o1 ZINC000012593718 570752592 /nfs/dbraw/zinc/75/25/92/570752592.db2.gz JQAUZVVLBYILSF-KRWDZBQOSA-N 1 2 369.490 4.842 50 0 FJAALO CCOc1ccccc1-c1nc(C[N@H+]2CCC[C@H]2c2nccs2)c(C)o1 ZINC000012593718 570752596 /nfs/dbraw/zinc/75/25/96/570752596.db2.gz JQAUZVVLBYILSF-KRWDZBQOSA-N 1 2 369.490 4.842 50 0 FJAALO O=C(CCCc1cccs1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000014910241 570826294 /nfs/dbraw/zinc/82/62/94/570826294.db2.gz RBDNCQANGFBRQB-UHFFFAOYSA-N 1 2 353.491 4.786 50 0 FJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(-c3cccs3)on2)c(OC)c1 ZINC000016382734 570855286 /nfs/dbraw/zinc/85/52/86/570855286.db2.gz KRKBKKHIJGQRTE-KRWDZBQOSA-N 1 2 370.474 4.757 50 0 FJAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(-c3cccs3)on2)c(OC)c1 ZINC000016382734 570855287 /nfs/dbraw/zinc/85/52/87/570855287.db2.gz KRKBKKHIJGQRTE-KRWDZBQOSA-N 1 2 370.474 4.757 50 0 FJAALO Cc1ccc(-c2nn(C[N@H+](C3CC3)C3CCCC3)c(=O)c3ccccc32)cc1 ZINC000032923218 570862908 /nfs/dbraw/zinc/86/29/08/570862908.db2.gz PKWBYIPTUHOVCW-UHFFFAOYSA-N 1 2 373.500 4.736 50 0 FJAALO Cc1ccc(-c2nn(C[N@@H+](C3CC3)C3CCCC3)c(=O)c3ccccc32)cc1 ZINC000032923218 570862909 /nfs/dbraw/zinc/86/29/09/570862909.db2.gz PKWBYIPTUHOVCW-UHFFFAOYSA-N 1 2 373.500 4.736 50 0 FJAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1cc(C)c(Cl)c(C)c1 ZINC000016903700 570863213 /nfs/dbraw/zinc/86/32/13/570863213.db2.gz ABCSLJFVDUAARI-INIZCTEOSA-N 1 2 372.896 4.699 50 0 FJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccc(Cl)cc2)cc1C ZINC000017120415 570868771 /nfs/dbraw/zinc/86/87/71/570868771.db2.gz FJPHXNVUMVVKBT-UHFFFAOYSA-N 1 2 363.852 4.698 50 0 FJAALO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019781697 570902844 /nfs/dbraw/zinc/90/28/44/570902844.db2.gz CNZNMNYXNCCLNK-UHFFFAOYSA-N 1 2 368.830 4.677 50 0 FJAALO FC(F)(F)c1ccccc1C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000019781697 570902845 /nfs/dbraw/zinc/90/28/45/570902845.db2.gz CNZNMNYXNCCLNK-UHFFFAOYSA-N 1 2 368.830 4.677 50 0 FJAALO CCc1cc2c(cc1C(=O)CC[NH+]1CCOCC1)C(C)(C)CCC2(C)C ZINC000020421326 570915536 /nfs/dbraw/zinc/91/55/36/570915536.db2.gz VJURMEOAZCKMLI-UHFFFAOYSA-N 1 2 357.538 4.503 50 0 FJAALO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)ccc1OC(C)C ZINC000021720276 570933533 /nfs/dbraw/zinc/93/35/33/570933533.db2.gz UAZFYBJYBFGLKW-GOSISDBHSA-N 1 2 358.482 4.931 50 0 FJAALO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)ccc1OC(C)C ZINC000021720276 570933536 /nfs/dbraw/zinc/93/35/36/570933536.db2.gz UAZFYBJYBFGLKW-GOSISDBHSA-N 1 2 358.482 4.931 50 0 FJAALO CCCCc1nc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cs1 ZINC000048056767 570933662 /nfs/dbraw/zinc/93/36/62/570933662.db2.gz 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ZINC000008583041 571050932 /nfs/dbraw/zinc/05/09/32/571050932.db2.gz AHVKDAUIFMCJFI-UHFFFAOYSA-N 1 2 363.852 4.514 50 0 FJAALO Clc1cccc(-n2ncc3c2nc[nH+]c3NCCC2=CCCCC2)c1 ZINC000008583074 571051036 /nfs/dbraw/zinc/05/10/36/571051036.db2.gz VVIBINMAUHWIEJ-UHFFFAOYSA-N 1 2 353.857 4.771 50 0 FJAALO Cc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000032960646 571067515 /nfs/dbraw/zinc/06/75/15/571067515.db2.gz HTBIXVAANSTEMH-UHFFFAOYSA-N 1 2 355.441 4.909 50 0 FJAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)c4ccccc4)cc3)[nH+]c2c1 ZINC000032960998 571067886 /nfs/dbraw/zinc/06/78/86/571067886.db2.gz ICPRQWQONNQAGS-UHFFFAOYSA-N 1 2 355.441 4.909 50 0 FJAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1 ZINC000032960998 571067889 /nfs/dbraw/zinc/06/78/89/571067889.db2.gz ICPRQWQONNQAGS-UHFFFAOYSA-N 1 2 355.441 4.909 50 0 FJAALO O=C(CCc1ccccc1)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960665 571067977 /nfs/dbraw/zinc/06/79/77/571067977.db2.gz CQQPFPXVTHXCDY-UHFFFAOYSA-N 1 2 369.468 4.919 50 0 FJAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)Cc4ccccc4)cc3)[nH+]c2c1 ZINC000032961000 571068005 /nfs/dbraw/zinc/06/80/05/571068005.db2.gz OKKFBYPBFGSQMI-UHFFFAOYSA-N 1 2 369.468 4.838 50 0 FJAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2c1 ZINC000032961000 571068008 /nfs/dbraw/zinc/06/80/08/571068008.db2.gz OKKFBYPBFGSQMI-UHFFFAOYSA-N 1 2 369.468 4.838 50 0 FJAALO CC(C)(C)c1[nH]c2ccc(NC(=O)Cc3cccc4cccnc43)cc2[nH+]1 ZINC000040069833 571071774 /nfs/dbraw/zinc/07/17/74/571071774.db2.gz YWZWNDXMTOYIEE-UHFFFAOYSA-N 1 2 358.445 4.590 50 0 FJAALO CCOc1ccc(-c2nnc(C[NH2+][C@H](C)c3ccccc3Cl)o2)cc1 ZINC000008938128 571077417 /nfs/dbraw/zinc/07/74/17/571077417.db2.gz UTQDYURJVSGLLZ-CYBMUJFWSA-N 1 2 357.841 4.640 50 0 FJAALO Cc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]3c3ccccc3)c(=S)[nH]2)cc1 ZINC000012772878 571092655 /nfs/dbraw/zinc/09/26/55/571092655.db2.gz JEAHLNITZYSUSV-GOSISDBHSA-N 1 2 350.491 4.711 50 0 FJAALO Cc1ccc(-c2nn(C[N@H+]3CCC[C@@H]3c3ccccc3)c(=S)[nH]2)cc1 ZINC000012772878 571092657 /nfs/dbraw/zinc/09/26/57/571092657.db2.gz JEAHLNITZYSUSV-GOSISDBHSA-N 1 2 350.491 4.711 50 0 FJAALO CC[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1 ZINC000229497272 571094674 /nfs/dbraw/zinc/09/46/74/571094674.db2.gz LPNCOWSARQBFKP-CRAIPNDOSA-N 1 2 357.523 4.507 50 0 FJAALO CC[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1 ZINC000229497272 571094677 /nfs/dbraw/zinc/09/46/77/571094677.db2.gz LPNCOWSARQBFKP-CRAIPNDOSA-N 1 2 357.523 4.507 50 0 FJAALO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3cncc(Br)c3)c2c1 ZINC000012421874 571097909 /nfs/dbraw/zinc/09/79/09/571097909.db2.gz DELGRZFKXKNOPG-UHFFFAOYSA-N 1 2 370.250 4.570 50 0 FJAALO Cc1ccc([C@@H]([NH2+]Cc2nc(-c3cccs3)no2)c2ccccc2)cc1 ZINC000009516438 571112153 /nfs/dbraw/zinc/11/21/53/571112153.db2.gz FQGLPSXMXMWFCT-FQEVSTJZSA-N 1 2 361.470 4.986 50 0 FJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3cccs3)cc12 ZINC000015825859 571129754 /nfs/dbraw/zinc/12/97/54/571129754.db2.gz MOUAOPTYFPUOEN-UHFFFAOYSA-N 1 2 351.475 4.847 50 0 FJAALO C[C@@H](C(=O)OCc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000071786697 571133880 /nfs/dbraw/zinc/13/38/80/571133880.db2.gz MNOBWYXQIILDKX-FQEVSTJZSA-N 1 2 359.469 4.821 50 0 FJAALO c1coc(-c2ncc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)cn2)c1 ZINC000077563963 571140540 /nfs/dbraw/zinc/14/05/40/571140540.db2.gz CJUWGPUNQIEBBA-INIZCTEOSA-N 1 2 362.458 4.683 50 0 FJAALO c1coc(-c2ncc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)cn2)c1 ZINC000077563963 571140542 /nfs/dbraw/zinc/14/05/42/571140542.db2.gz CJUWGPUNQIEBBA-INIZCTEOSA-N 1 2 362.458 4.683 50 0 FJAALO Cc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012929298 571146431 /nfs/dbraw/zinc/14/64/31/571146431.db2.gz CAXWVMNJCPPYNX-QFIPXVFZSA-N 1 2 362.498 4.643 50 0 FJAALO Cc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012929298 571146433 /nfs/dbraw/zinc/14/64/33/571146433.db2.gz CAXWVMNJCPPYNX-QFIPXVFZSA-N 1 2 362.498 4.643 50 0 FJAALO Cc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012929306 571146477 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Cc1cccc(NC(=O)N(C)[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000012520787 571174018 /nfs/dbraw/zinc/17/40/18/571174018.db2.gz OTYGGRKJOKIHBA-SFHVURJKSA-N 1 2 368.868 4.635 50 0 FJAALO O=C(c1ccccc1)C1CC[NH+](Cn2c3ccccc3oc2=S)CC1 ZINC000012544177 571177894 /nfs/dbraw/zinc/17/78/94/571177894.db2.gz KUJRGJNUWNBYGA-UHFFFAOYSA-N 1 2 352.459 4.516 50 0 FJAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000012551299 571179638 /nfs/dbraw/zinc/17/96/38/571179638.db2.gz NVLAEDQERYRJAC-UHFFFAOYSA-N 1 2 355.441 4.904 50 0 FJAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000012552580 571180005 /nfs/dbraw/zinc/18/00/05/571180005.db2.gz PJKJWAHQMSYDPP-UHFFFAOYSA-N 1 2 363.486 4.658 50 0 FJAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)Cn1c2ccc(C)cc2c2c1CCCC2 ZINC000003648930 571186777 /nfs/dbraw/zinc/18/67/77/571186777.db2.gz IPRMBCGSQNTBJH-GOSISDBHSA-N 1 2 373.500 4.548 50 0 FJAALO Cc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccsc3)[nH+]c12 ZINC000003911499 571189418 /nfs/dbraw/zinc/18/94/18/571189418.db2.gz ARQZHVURYDJLAX-UHFFFAOYSA-N 1 2 363.442 4.886 50 0 FJAALO CC(=[NH+]Nc1nc(C)cc(=O)[nH]1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000252457339 571201871 /nfs/dbraw/zinc/20/18/71/571201871.db2.gz ACTUKWWKEDRHMP-UHFFFAOYSA-N 1 2 363.446 4.535 50 0 FJAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(CC(C)C)C(=O)C2CCCC2)c1 ZINC000006690134 571240738 /nfs/dbraw/zinc/24/07/38/571240738.db2.gz UUUBTWXNCITIEX-UHFFFAOYSA-N 1 2 367.537 4.723 50 0 FJAALO CCN(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C(=O)CC(C)C ZINC000006690036 571240787 /nfs/dbraw/zinc/24/07/87/571240787.db2.gz SJKRLRWPPDGQNB-UHFFFAOYSA-N 1 2 368.308 4.633 50 0 FJAALO Clc1cccc(Cl)c1OCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006719091 571243363 /nfs/dbraw/zinc/24/33/63/571243363.db2.gz ZIPQILNSEKKYGM-KRWDZBQOSA-N 1 2 351.277 4.994 50 0 FJAALO Clc1cccc(Cl)c1OCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000006719091 571243366 /nfs/dbraw/zinc/24/33/66/571243366.db2.gz ZIPQILNSEKKYGM-KRWDZBQOSA-N 1 2 351.277 4.994 50 0 FJAALO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(F)cc1F ZINC000036348177 571249126 /nfs/dbraw/zinc/24/91/26/571249126.db2.gz VTOSRJCHQYNZBA-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(F)cc1F ZINC000036348177 571249127 /nfs/dbraw/zinc/24/91/27/571249127.db2.gz VTOSRJCHQYNZBA-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO Cc1[nH+]c2ccc(F)cc2c(OCc2csc([C@H]3CCCO3)n2)c1C ZINC000170603539 571267145 /nfs/dbraw/zinc/26/71/45/571267145.db2.gz RFEHTXQKNVCWSJ-QGZVFWFLSA-N 1 2 358.438 4.878 50 0 FJAALO Cc1cc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C(C)C)cc(C)c1Cl ZINC000016903695 571273587 /nfs/dbraw/zinc/27/35/87/571273587.db2.gz YXTYUQARUBPWJM-MRXNPFEDSA-N 1 2 372.896 4.870 50 0 FJAALO Cc1cc(C)c(NC(=O)C[N@H+](Cc2ccco2)Cc2cccs2)c(C)c1 ZINC000007580510 571274467 /nfs/dbraw/zinc/27/44/67/571274467.db2.gz ORPXGKRLIZZAIO-UHFFFAOYSA-N 1 2 368.502 4.907 50 0 FJAALO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2ccco2)Cc2cccs2)c(C)c1 ZINC000007580510 571274468 /nfs/dbraw/zinc/27/44/68/571274468.db2.gz ORPXGKRLIZZAIO-UHFFFAOYSA-N 1 2 368.502 4.907 50 0 FJAALO Cc1nc(-c2ccccc2NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cs1 ZINC000208008483 571279080 /nfs/dbraw/zinc/27/90/80/571279080.db2.gz ULGKLNGYBNEGFY-UHFFFAOYSA-N 1 2 374.469 4.616 50 0 FJAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(C(C)(C)C)cc3)C(=O)[C@@H]2C)c1 ZINC000037520153 571286682 /nfs/dbraw/zinc/28/66/82/571286682.db2.gz NJVUIAUBQSQQOB-SFHVURJKSA-N 1 2 350.506 4.530 50 0 FJAALO Cc1cccc(C[N@H+]2CCN(c3ccc(C(C)(C)C)cc3)C(=O)[C@@H]2C)c1 ZINC000037520153 571286684 /nfs/dbraw/zinc/28/66/84/571286684.db2.gz NJVUIAUBQSQQOB-SFHVURJKSA-N 1 2 350.506 4.530 50 0 FJAALO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2c(F)cccc2F)c1 ZINC000037523370 571287354 /nfs/dbraw/zinc/28/73/54/571287354.db2.gz DYMLHRYYUYQWQP-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2c(F)cccc2F)c1 ZINC000037523370 571287355 /nfs/dbraw/zinc/28/73/55/571287355.db2.gz DYMLHRYYUYQWQP-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922444 571294383 /nfs/dbraw/zinc/29/43/83/571294383.db2.gz RUZQERPLUCOIOL-HNNXBMFYSA-N 1 2 367.518 4.799 50 0 FJAALO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922444 571294384 /nfs/dbraw/zinc/29/43/84/571294384.db2.gz RUZQERPLUCOIOL-HNNXBMFYSA-N 1 2 367.518 4.799 50 0 FJAALO O=C(NCc1ccccc1)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000013348125 571323200 /nfs/dbraw/zinc/32/32/00/571323200.db2.gz UYMQTVKLNLEORV-UHFFFAOYSA-N 1 2 370.456 4.670 50 0 FJAALO C[N@H+](CCOC(c1ccccc1)c1ccccc1)Cc1ncc(C2CC2)o1 ZINC000095446870 571329712 /nfs/dbraw/zinc/32/97/12/571329712.db2.gz JHRHRPWFOJRPAG-UHFFFAOYSA-N 1 2 362.473 4.790 50 0 FJAALO C[N@@H+](CCOC(c1ccccc1)c1ccccc1)Cc1ncc(C2CC2)o1 ZINC000095446870 571329713 /nfs/dbraw/zinc/32/97/13/571329713.db2.gz JHRHRPWFOJRPAG-UHFFFAOYSA-N 1 2 362.473 4.790 50 0 FJAALO Cc1[nH+]c2cc(NC(=O)c3ccc(F)cc3F)ccc2n1-c1ccccc1 ZINC000003351219 571348163 /nfs/dbraw/zinc/34/81/63/571348163.db2.gz WEAILJLCLYOMHL-UHFFFAOYSA-N 1 2 363.367 4.864 50 0 FJAALO Cc1ccccc1CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000004251311 571357274 /nfs/dbraw/zinc/35/72/74/571357274.db2.gz IYMDSJRDZVQMCB-UHFFFAOYSA-N 1 2 358.470 4.930 50 0 FJAALO CCOc1cc(CNc2ccc([NH+]3CCCC3)cc2)cc(Cl)c1OC ZINC000000624022 210251990 /nfs/dbraw/zinc/25/19/90/210251990.db2.gz QQWGJAPOKIMOPE-UHFFFAOYSA-N 1 2 360.885 4.960 50 0 FJAALO CC(C)c1[nH]c2ccc(NC(=O)N(Cc3cccc(O)c3)C3CC3)cc2[nH+]1 ZINC000299783618 210026847 /nfs/dbraw/zinc/02/68/47/210026847.db2.gz WCYKJHPZGZVJJE-UHFFFAOYSA-N 1 2 364.449 4.588 50 0 FJAALO COc1cc(C(C)=O)ccc1OCCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000004759495 204161596 /nfs/dbraw/zinc/16/15/96/204161596.db2.gz GQTNUSRUTZPKHW-UHFFFAOYSA-N 1 2 366.461 4.724 50 0 FJAALO COc1ccc(C(=O)N2C[N@H+](CCC(C)C)Cc3c(C)c(C)sc32)cc1 ZINC000005612024 204218094 /nfs/dbraw/zinc/21/80/94/204218094.db2.gz YSLNQSIQDIIRBN-UHFFFAOYSA-N 1 2 372.534 4.840 50 0 FJAALO COc1ccc(C(=O)N2C[N@@H+](CCC(C)C)Cc3c(C)c(C)sc32)cc1 ZINC000005612024 204218096 /nfs/dbraw/zinc/21/80/96/204218096.db2.gz YSLNQSIQDIIRBN-UHFFFAOYSA-N 1 2 372.534 4.840 50 0 FJAALO CN(Cc1ccccc1)c1[nH+]c2ccccc2n1CC(=O)c1ccccc1 ZINC000006314147 204244916 /nfs/dbraw/zinc/24/49/16/204244916.db2.gz FASTZPXXAMIKQY-UHFFFAOYSA-N 1 2 355.441 4.556 50 0 FJAALO Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000007922229 204311134 /nfs/dbraw/zinc/31/11/34/204311134.db2.gz ICOHHEXEQPZCMC-OAHLLOKOSA-N 1 2 353.491 4.545 50 0 FJAALO Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000007922229 204311137 /nfs/dbraw/zinc/31/11/37/204311137.db2.gz ICOHHEXEQPZCMC-OAHLLOKOSA-N 1 2 353.491 4.545 50 0 FJAALO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000007922120 204312030 /nfs/dbraw/zinc/31/20/30/204312030.db2.gz XLQDKYPDFHBTRJ-OAHLLOKOSA-N 1 2 353.491 4.545 50 0 FJAALO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000007922120 204312031 /nfs/dbraw/zinc/31/20/31/204312031.db2.gz XLQDKYPDFHBTRJ-OAHLLOKOSA-N 1 2 353.491 4.545 50 0 FJAALO C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008229864 204322665 /nfs/dbraw/zinc/32/26/65/204322665.db2.gz DEEDSAVEZGHQGG-KRWDZBQOSA-N 1 2 372.472 4.554 50 0 FJAALO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008510551 204333861 /nfs/dbraw/zinc/33/38/61/204333861.db2.gz RCKSPCKHFLFCNX-QGZVFWFLSA-N 1 2 365.502 4.689 50 0 FJAALO Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008510551 204333867 /nfs/dbraw/zinc/33/38/67/204333867.db2.gz RCKSPCKHFLFCNX-QGZVFWFLSA-N 1 2 365.502 4.689 50 0 FJAALO O=C(c1ccccc1)c1cc(-c2[nH]cc[nH+]2)c(-c2ccccc2)n2ccnc12 ZINC000009644780 204377219 /nfs/dbraw/zinc/37/72/19/204377219.db2.gz NQAYUGORGPKZOD-UHFFFAOYSA-N 1 2 364.408 4.622 50 0 FJAALO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000036348639 205010567 /nfs/dbraw/zinc/01/05/67/205010567.db2.gz ZKQJBECZNMRSLB-JOCHJYFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000036348639 205010572 /nfs/dbraw/zinc/01/05/72/205010572.db2.gz ZKQJBECZNMRSLB-JOCHJYFZSA-N 1 2 368.427 4.770 50 0 FJAALO Cc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000037210486 205024965 /nfs/dbraw/zinc/02/49/65/205024965.db2.gz SJXCNUPMHXAXBS-HXUWFJFHSA-N 1 2 368.527 4.704 50 0 FJAALO Cc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000037210486 205024968 /nfs/dbraw/zinc/02/49/68/205024968.db2.gz SJXCNUPMHXAXBS-HXUWFJFHSA-N 1 2 368.527 4.704 50 0 FJAALO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2c(F)cccc2F)c1 ZINC000037523369 205027892 /nfs/dbraw/zinc/02/78/92/205027892.db2.gz DYMLHRYYUYQWQP-JOCHJYFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2c(F)cccc2F)c1 ZINC000037523369 205027896 /nfs/dbraw/zinc/02/78/96/205027896.db2.gz DYMLHRYYUYQWQP-JOCHJYFZSA-N 1 2 368.427 4.770 50 0 FJAALO Cc1ccccc1-c1nnc(SCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000040067272 205052334 /nfs/dbraw/zinc/05/23/34/205052334.db2.gz FEEHJNMUCHVUAF-UHFFFAOYSA-N 1 2 362.458 4.582 50 0 FJAALO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)c3nc(C(C)(C)C)no3)CC2)c(C)c1 ZINC000040086190 205053761 /nfs/dbraw/zinc/05/37/61/205053761.db2.gz XUTXKLKSXLXRLW-INIZCTEOSA-N 1 2 369.509 4.640 50 0 FJAALO C[C@H](c1ccccc1)n1cnn(C[N@H+](C)[C@@H](C)c2cccs2)c1=S ZINC000054447504 205200840 /nfs/dbraw/zinc/20/08/40/205200840.db2.gz FTNDAGQIEVLRBK-CABCVRRESA-N 1 2 358.536 4.735 50 0 FJAALO C[C@H](c1ccccc1)n1cnn(C[N@@H+](C)[C@@H](C)c2cccs2)c1=S ZINC000054447504 205200845 /nfs/dbraw/zinc/20/08/45/205200845.db2.gz FTNDAGQIEVLRBK-CABCVRRESA-N 1 2 358.536 4.735 50 0 FJAALO COc1ccc(-c2nc(C[N@H+](C)Cc3ccccc3F)cs2)cc1OC ZINC000057851614 205245810 /nfs/dbraw/zinc/24/58/10/205245810.db2.gz VILPZFBZVSJJPC-UHFFFAOYSA-N 1 2 372.465 4.598 50 0 FJAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccccc3F)cs2)cc1OC ZINC000057851614 205245815 /nfs/dbraw/zinc/24/58/15/205245815.db2.gz VILPZFBZVSJJPC-UHFFFAOYSA-N 1 2 372.465 4.598 50 0 FJAALO COc1ccccc1C[N@H+](Cc1cccnc1)Cc1ccc2ccccc2n1 ZINC000063835253 205295649 /nfs/dbraw/zinc/29/56/49/205295649.db2.gz ACSOVBOFBKHYNI-UHFFFAOYSA-N 1 2 369.468 4.841 50 0 FJAALO COc1ccccc1C[N@@H+](Cc1cccnc1)Cc1ccc2ccccc2n1 ZINC000063835253 205295653 /nfs/dbraw/zinc/29/56/53/205295653.db2.gz ACSOVBOFBKHYNI-UHFFFAOYSA-N 1 2 369.468 4.841 50 0 FJAALO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000058754069 205278422 /nfs/dbraw/zinc/27/84/22/205278422.db2.gz GFURMUOTECOVAC-OAHLLOKOSA-N 1 2 361.917 4.504 50 0 FJAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(Br)s2)on1 ZINC000064984422 205312162 /nfs/dbraw/zinc/31/21/62/205312162.db2.gz YYOCEPVUWPCZOC-CYBMUJFWSA-N 1 2 355.301 4.959 50 0 FJAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccc(Br)s2)on1 ZINC000064984422 205312167 /nfs/dbraw/zinc/31/21/67/205312167.db2.gz YYOCEPVUWPCZOC-CYBMUJFWSA-N 1 2 355.301 4.959 50 0 FJAALO Cc1cc(NCc2cccc(Cn3cncn3)c2)[nH+]c2c1cccc2C(C)C ZINC000065498720 205356116 /nfs/dbraw/zinc/35/61/16/205356116.db2.gz NWZXLQNLNGFSDT-UHFFFAOYSA-N 1 2 371.488 4.919 50 0 FJAALO Cc1ccc([C@H](C)Cc2c(-c3ccccc3)[nH+]cn2CCc2cnccn2)o1 ZINC000065374506 205341257 /nfs/dbraw/zinc/34/12/57/205341257.db2.gz KHRCCNVXBMAHSH-QGZVFWFLSA-N 1 2 372.472 4.830 50 0 FJAALO c1[nH]c2ccccc2c1CCn1c[nH+]c(-c2ccccc2)c1[C@H]1CCOC1 ZINC000067473346 205372517 /nfs/dbraw/zinc/37/25/17/205372517.db2.gz WELYISUTOKNSAR-IBGZPJMESA-N 1 2 357.457 4.778 50 0 FJAALO CSc1ccc2c(C)cc(N3Cc4cnc(C(C)(C)C)nc4C3)[nH+]c2c1 ZINC000067457755 205372657 /nfs/dbraw/zinc/37/26/57/205372657.db2.gz UMMUCRDVKTZXGJ-UHFFFAOYSA-N 1 2 364.518 4.873 50 0 FJAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1C[C@H]1OCCc2ccccc21 ZINC000067769515 205389698 /nfs/dbraw/zinc/38/96/98/205389698.db2.gz OZZAKRZLIDMAQH-HXUWFJFHSA-N 1 2 370.456 4.563 50 0 FJAALO Cc1nn(-c2ccccc2Cl)c(Cl)c1C[NH2+]Cc1ccccc1F ZINC000017311562 220214011 /nfs/dbraw/zinc/21/40/11/220214011.db2.gz GEMOVKKASKJXRI-UHFFFAOYSA-N 1 2 364.251 4.916 50 0 FJAALO CCSc1ccccc1C(=O)Nc1cccc2ccc(-n3cc[nH+]c3)nc21 ZINC000049028064 206085183 /nfs/dbraw/zinc/08/51/83/206085183.db2.gz VMKVLSPVLRHLKR-UHFFFAOYSA-N 1 2 374.469 4.785 50 0 FJAALO COc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc([C@@H]2CCCO2)s1)CC3 ZINC000216528366 206359469 /nfs/dbraw/zinc/35/94/69/206359469.db2.gz GCLKGFHTSPVVSZ-FQEVSTJZSA-N 1 2 368.502 4.648 50 0 FJAALO COc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc([C@@H]2CCCO2)s1)CC3 ZINC000216528366 206359474 /nfs/dbraw/zinc/35/94/74/206359474.db2.gz GCLKGFHTSPVVSZ-FQEVSTJZSA-N 1 2 368.502 4.648 50 0 FJAALO Cc1nonc1[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc3ccccc32)oc1C ZINC000019226714 211210050 /nfs/dbraw/zinc/21/00/50/211210050.db2.gz VBTSWBXBJMXOBK-FQEVSTJZSA-N 1 2 374.444 4.832 50 0 FJAALO Cc1nonc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc3ccccc32)oc1C ZINC000019226714 211210058 /nfs/dbraw/zinc/21/00/58/211210058.db2.gz VBTSWBXBJMXOBK-FQEVSTJZSA-N 1 2 374.444 4.832 50 0 FJAALO Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CCCCC2)cc1 ZINC000016903704 211171188 /nfs/dbraw/zinc/17/11/88/211171188.db2.gz NJMXKMVTGKYBTB-LJQANCHMSA-N 1 2 364.489 4.832 50 0 FJAALO COc1ccccc1C(=O)Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1 ZINC000015863874 211147661 /nfs/dbraw/zinc/14/76/61/211147661.db2.gz MCNLALYQNJIMCU-UHFFFAOYSA-N 1 2 371.440 4.609 50 0 FJAALO O=C(Cc1cccs1)Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1 ZINC000015863739 211147461 /nfs/dbraw/zinc/14/74/61/211147461.db2.gz LFCQTHAWVRVUMK-UHFFFAOYSA-N 1 2 361.470 4.591 50 0 FJAALO COc1ccccc1C[N@@H+]1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000015009133 211113415 /nfs/dbraw/zinc/11/34/15/211113415.db2.gz JIKASSCYDPYCNS-UHFFFAOYSA-N 1 2 367.470 4.524 50 0 FJAALO COc1ccccc1C[N@H+]1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000015009133 211113419 /nfs/dbraw/zinc/11/34/19/211113419.db2.gz JIKASSCYDPYCNS-UHFFFAOYSA-N 1 2 367.470 4.524 50 0 FJAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000014201250 211085335 /nfs/dbraw/zinc/08/53/35/211085335.db2.gz JBCGJTPKIJAGBK-LLVKDONJSA-N 1 2 373.865 4.508 50 0 FJAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000014201250 211085338 /nfs/dbraw/zinc/08/53/38/211085338.db2.gz JBCGJTPKIJAGBK-LLVKDONJSA-N 1 2 373.865 4.508 50 0 FJAALO CC(C)[N@@H+](Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000014234076 211086556 /nfs/dbraw/zinc/08/65/56/211086556.db2.gz BLYWLCNYCLDPPG-UHFFFAOYSA-N 1 2 370.497 4.625 50 0 FJAALO CC(C)[N@H+](Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000014234076 211086562 /nfs/dbraw/zinc/08/65/62/211086562.db2.gz BLYWLCNYCLDPPG-UHFFFAOYSA-N 1 2 370.497 4.625 50 0 FJAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3Cl)c2C1 ZINC000014085418 211071619 /nfs/dbraw/zinc/07/16/19/211071619.db2.gz TZYYVIFBSFVRNU-UHFFFAOYSA-N 1 2 365.864 4.519 50 0 FJAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3Cl)c2C1 ZINC000014085418 211071623 /nfs/dbraw/zinc/07/16/23/211071623.db2.gz TZYYVIFBSFVRNU-UHFFFAOYSA-N 1 2 365.864 4.519 50 0 FJAALO CCn1c(=S)n(C[N@H+](C)Cc2ccccc2)nc1-c1cccc(Cl)c1 ZINC000013070698 211023264 /nfs/dbraw/zinc/02/32/64/211023264.db2.gz LEMYITWZFLKMRF-UHFFFAOYSA-N 1 2 372.925 4.844 50 0 FJAALO CCn1c(=S)n(C[N@@H+](C)Cc2ccccc2)nc1-c1cccc(Cl)c1 ZINC000013070698 211023268 /nfs/dbraw/zinc/02/32/68/211023268.db2.gz LEMYITWZFLKMRF-UHFFFAOYSA-N 1 2 372.925 4.844 50 0 FJAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1cc(Cl)ccc1Cl ZINC000013061257 211021977 /nfs/dbraw/zinc/02/19/77/211021977.db2.gz ONXIYMGADHOAHA-CQSZACIVSA-N 1 2 355.290 4.831 50 0 FJAALO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1cc(Cl)ccc1Cl ZINC000013061257 211021979 /nfs/dbraw/zinc/02/19/79/211021979.db2.gz ONXIYMGADHOAHA-CQSZACIVSA-N 1 2 355.290 4.831 50 0 FJAALO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c1C ZINC000012986209 211014999 /nfs/dbraw/zinc/01/49/99/211014999.db2.gz HYXGMJZOZRYOLF-OAHLLOKOSA-N 1 2 353.491 4.545 50 0 FJAALO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c1C ZINC000012986209 211015002 /nfs/dbraw/zinc/01/50/02/211015002.db2.gz HYXGMJZOZRYOLF-OAHLLOKOSA-N 1 2 353.491 4.545 50 0 FJAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cccc(OC(F)F)c1 ZINC000007725402 210751066 /nfs/dbraw/zinc/75/10/66/210751066.db2.gz KDVNRUIEAGNPJZ-UHFFFAOYSA-N 1 2 371.387 4.616 50 0 FJAALO CCCCCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCC2)[nH+]1 ZINC000002479532 210401146 /nfs/dbraw/zinc/40/11/46/210401146.db2.gz DRAPWECFMCXACL-UHFFFAOYSA-N 1 2 374.920 4.861 50 0 FJAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000000857468 210283178 /nfs/dbraw/zinc/28/31/78/210283178.db2.gz OTQOHALNLRBTQT-LJQANCHMSA-N 1 2 360.457 4.582 50 0 FJAALO c1cn(CCn2cnc(-c3ccccc3)c2-c2cccc3cnccc32)c[nH+]1 ZINC000065380443 221206830 /nfs/dbraw/zinc/20/68/30/221206830.db2.gz BLVOGALXNSAIDJ-UHFFFAOYSA-N 1 2 365.440 4.662 50 0 FJAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1Cc1cc2cc(F)ccc2[nH]1 ZINC000067974144 221310334 /nfs/dbraw/zinc/31/03/34/221310334.db2.gz SSSFNEMYCBWABN-UHFFFAOYSA-N 1 2 371.419 4.917 50 0 FJAALO Cc1c2cc(C)cc(CNC(=O)[C@H](C)n3cc[nH+]c3)c2[nH]c1-c1ccccc1 ZINC000071752724 221363240 /nfs/dbraw/zinc/36/32/40/221363240.db2.gz NYPMDOLIOJKTJS-KRWDZBQOSA-N 1 2 372.472 4.526 50 0 FJAALO c1ccc(-c2[nH+]c3ccccn3c2Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000001412156 132303931 /nfs/dbraw/zinc/30/39/31/132303931.db2.gz FQFZSGVAAGDUPQ-UHFFFAOYSA-N 1 2 370.456 4.582 50 0 FJAALO Cc1cccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)c1C ZINC000069150658 136137854 /nfs/dbraw/zinc/13/78/54/136137854.db2.gz SQTGDPXKULEBLV-UHFFFAOYSA-N 1 2 363.530 4.749 50 0 FJAALO CC(C)c1ccc(/C=C/C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000019832530 519834198 /nfs/dbraw/zinc/83/41/98/519834198.db2.gz CHJAHKSNEDRHHA-LQAKELLUSA-N 1 2 374.528 4.681 50 0 FJAALO CCC[C@H](C)c1n[nH]c2c1C[N@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724739 521071213 /nfs/dbraw/zinc/07/12/13/521071213.db2.gz MZUGPDVKLYDSDC-HNAYVOBHSA-N 1 2 357.498 4.706 50 0 FJAALO CCC[C@H](C)c1n[nH]c2c1C[N@@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724739 521071224 /nfs/dbraw/zinc/07/12/24/521071224.db2.gz MZUGPDVKLYDSDC-HNAYVOBHSA-N 1 2 357.498 4.706 50 0 FJAALO CCC[C@H](C)c1[nH]nc2c1C[N@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724739 521071231 /nfs/dbraw/zinc/07/12/31/521071231.db2.gz MZUGPDVKLYDSDC-HNAYVOBHSA-N 1 2 357.498 4.706 50 0 FJAALO CCC[C@H](C)c1[nH]nc2c1C[N@@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724739 521071243 /nfs/dbraw/zinc/07/12/43/521071243.db2.gz MZUGPDVKLYDSDC-HNAYVOBHSA-N 1 2 357.498 4.706 50 0 FJAALO CSc1ccc(NC(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)cc1 ZINC000091381860 526029210 /nfs/dbraw/zinc/02/92/10/526029210.db2.gz OXRJZMBLLIYEJT-UHFFFAOYSA-N 1 2 358.511 4.597 50 0 FJAALO Fc1ccc([C@@H]([NH2+]Cc2nc(-c3cccs3)no2)c2cccs2)cc1 ZINC000089800301 526361432 /nfs/dbraw/zinc/36/14/32/526361432.db2.gz WKCXRVXETRAMLM-QGZVFWFLSA-N 1 2 371.462 4.878 50 0 FJAALO Cn1c(-c2ccccc2)cn(CC(=O)c2ccc(-c3ccccc3)cc2)c1=[NH2+] ZINC000334157592 527017000 /nfs/dbraw/zinc/01/70/00/527017000.db2.gz PVUUAPADUNZJDB-UHFFFAOYSA-N 1 2 367.452 4.523 50 0 FJAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(C)C ZINC000006690643 568031511 /nfs/dbraw/zinc/03/15/11/568031511.db2.gz PVKYGHYGEHQIFI-UHFFFAOYSA-N 1 2 368.308 4.631 50 0 FJAALO c1cc(-c2ccccc2)sc1C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccccn1 ZINC000222901869 568577279 /nfs/dbraw/zinc/57/72/79/568577279.db2.gz FJKVHPOYNWASDC-QFIPXVFZSA-N 1 2 372.497 4.681 50 0 FJAALO c1cc(-c2ccccc2)sc1C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccn1 ZINC000222901869 568577280 /nfs/dbraw/zinc/57/72/80/568577280.db2.gz FJKVHPOYNWASDC-QFIPXVFZSA-N 1 2 372.497 4.681 50 0 FJAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000000683163 570450154 /nfs/dbraw/zinc/45/01/54/570450154.db2.gz AYHYGECEKKBRBY-UHFFFAOYSA-N 1 2 374.550 4.940 50 0 FJAALO Cc1[nH+]c2ccc(F)cc2n1C1CCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000034915246 570562806 /nfs/dbraw/zinc/56/28/06/570562806.db2.gz UBYWNTGKQIDNPO-UHFFFAOYSA-N 1 2 365.452 4.578 50 0 FJAALO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2Nc1ccc2c(c1)OCCO2 ZINC000004733608 570603557 /nfs/dbraw/zinc/60/35/57/570603557.db2.gz YSRGPDBJXZXYQH-UHFFFAOYSA-N 1 2 373.412 4.530 50 0 FJAALO CC(=O)Oc1ccc(-c2csc(Nc3ccc([NH+](C)C)cc3)n2)cc1 ZINC000005064844 570620460 /nfs/dbraw/zinc/62/04/60/570620460.db2.gz FKMCBPQYDHPDEZ-UHFFFAOYSA-N 1 2 353.447 4.545 50 0 FJAALO COc1ccc(C[N@H+](C)Cc2nc(-c3cccc(C)c3)oc2C)cc1OC ZINC000011661602 570704122 /nfs/dbraw/zinc/70/41/22/570704122.db2.gz DJENBXQVEBYLFF-UHFFFAOYSA-N 1 2 366.461 4.608 50 0 FJAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccc(C)c3)oc2C)cc1OC ZINC000011661602 570704124 /nfs/dbraw/zinc/70/41/24/570704124.db2.gz DJENBXQVEBYLFF-UHFFFAOYSA-N 1 2 366.461 4.608 50 0 FJAALO Cn1c(-c2cccs2)nn(C[N@@H+]2CCC[C@@H]2c2cccs2)c1=S ZINC000014166347 570809393 /nfs/dbraw/zinc/80/93/93/570809393.db2.gz VYOWGKNYESAVJU-GFCCVEGCSA-N 1 2 362.549 4.536 50 0 FJAALO Cn1c(-c2cccs2)nn(C[N@H+]2CCC[C@@H]2c2cccs2)c1=S ZINC000014166347 570809396 /nfs/dbraw/zinc/80/93/96/570809396.db2.gz VYOWGKNYESAVJU-GFCCVEGCSA-N 1 2 362.549 4.536 50 0 FJAALO CCn1c(-c2cccs2)nn(C[N@H+](C)Cc2ccc(C)cc2)c1=S ZINC000014231818 570814547 /nfs/dbraw/zinc/81/45/47/570814547.db2.gz IELBRMJFQXWEQP-UHFFFAOYSA-N 1 2 358.536 4.560 50 0 FJAALO CCn1c(-c2cccs2)nn(C[N@@H+](C)Cc2ccc(C)cc2)c1=S ZINC000014231818 570814551 /nfs/dbraw/zinc/81/45/51/570814551.db2.gz IELBRMJFQXWEQP-UHFFFAOYSA-N 1 2 358.536 4.560 50 0 FJAALO COc1cccc(C[N@H+](C)Cc2nc(-c3cc(F)cc(F)c3)oc2C)c1 ZINC000014980872 570828051 /nfs/dbraw/zinc/82/80/51/570828051.db2.gz MCLKBMAKYHBXDL-UHFFFAOYSA-N 1 2 358.388 4.569 50 0 FJAALO COc1cccc(C[N@@H+](C)Cc2nc(-c3cc(F)cc(F)c3)oc2C)c1 ZINC000014980872 570828054 /nfs/dbraw/zinc/82/80/54/570828054.db2.gz MCLKBMAKYHBXDL-UHFFFAOYSA-N 1 2 358.388 4.569 50 0 FJAALO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc4nsnc4c3)c(C)o2)s1 ZINC000015065668 570831036 /nfs/dbraw/zinc/83/10/36/570831036.db2.gz AVXJFCHUSADNQS-UHFFFAOYSA-N 1 2 370.503 4.657 50 0 FJAALO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc4nsnc4c3)c(C)o2)s1 ZINC000015065668 570831037 /nfs/dbraw/zinc/83/10/37/570831037.db2.gz AVXJFCHUSADNQS-UHFFFAOYSA-N 1 2 370.503 4.657 50 0 FJAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(-c3cccs3)on2)c(OC)c1 ZINC000016382737 570855218 /nfs/dbraw/zinc/85/52/18/570855218.db2.gz KRKBKKHIJGQRTE-QGZVFWFLSA-N 1 2 370.474 4.757 50 0 FJAALO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(-c3cccs3)on2)c(OC)c1 ZINC000016382737 570855223 /nfs/dbraw/zinc/85/52/23/570855223.db2.gz KRKBKKHIJGQRTE-QGZVFWFLSA-N 1 2 370.474 4.757 50 0 FJAALO S=c1n(C[N@H+](C2CC2)C2CCCC2)nc(C2CC2)n1-c1ccccc1 ZINC000032923194 570862759 /nfs/dbraw/zinc/86/27/59/570862759.db2.gz OYJMWXRPOQWJCM-UHFFFAOYSA-N 1 2 354.523 4.645 50 0 FJAALO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nc(C2CC2)n1-c1ccccc1 ZINC000032923194 570862763 /nfs/dbraw/zinc/86/27/63/570862763.db2.gz OYJMWXRPOQWJCM-UHFFFAOYSA-N 1 2 354.523 4.645 50 0 FJAALO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019360211 570887293 /nfs/dbraw/zinc/88/72/93/570887293.db2.gz ORUGOANPAANSTP-UHFFFAOYSA-N 1 2 368.830 4.677 50 0 FJAALO FC(F)(F)c1ccccc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019360211 570887296 /nfs/dbraw/zinc/88/72/96/570887296.db2.gz ORUGOANPAANSTP-UHFFFAOYSA-N 1 2 368.830 4.677 50 0 FJAALO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000021720512 570933923 /nfs/dbraw/zinc/93/39/23/570933923.db2.gz CPUVCEQCJVMCSC-HNNXBMFYSA-N 1 2 353.235 4.530 50 0 FJAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccccc1Oc1ccccc1 ZINC000010737230 570928866 /nfs/dbraw/zinc/92/88/66/570928866.db2.gz QSGQUAMXKMVBLU-UHFFFAOYSA-N 1 2 371.440 4.567 50 0 FJAALO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000021720512 570933920 /nfs/dbraw/zinc/93/39/20/570933920.db2.gz CPUVCEQCJVMCSC-HNNXBMFYSA-N 1 2 353.235 4.530 50 0 FJAALO COc1ccccc1C[NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000022056691 570938334 /nfs/dbraw/zinc/93/83/34/570938334.db2.gz GVROOAQHTKAPTH-HSZRJFAPSA-N 1 2 370.452 4.890 50 0 FJAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1cc2cc(Cl)ccc2o1 ZINC000025173695 570991654 /nfs/dbraw/zinc/99/16/54/570991654.db2.gz NYMCGOHSDNILSU-UHFFFAOYSA-N 1 2 351.793 4.583 50 0 FJAALO C[N@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccccc1N1CCCC1 ZINC000012690171 571044382 /nfs/dbraw/zinc/04/43/82/571044382.db2.gz RCTHDEGXIPIKQL-UHFFFAOYSA-N 1 2 373.500 4.511 50 0 FJAALO C[N@@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccccc1N1CCCC1 ZINC000012690171 571044384 /nfs/dbraw/zinc/04/43/84/571044384.db2.gz RCTHDEGXIPIKQL-UHFFFAOYSA-N 1 2 373.500 4.511 50 0 FJAALO CCc1[nH+]c(SCc2c(C)noc2C)nc(N)c1-c1ccc(Cl)cc1 ZINC000012740696 571063467 /nfs/dbraw/zinc/06/34/67/571063467.db2.gz GBUXMBLIGUGIIF-UHFFFAOYSA-N 1 2 374.897 4.839 50 0 FJAALO CCN(C(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1)c1ccccc1C ZINC000039536502 571064708 /nfs/dbraw/zinc/06/47/08/571064708.db2.gz KMKGUDVQTTWJQB-INIZCTEOSA-N 1 2 367.518 4.651 50 0 FJAALO CCN(C(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1)c1ccccc1C ZINC000039536502 571064711 /nfs/dbraw/zinc/06/47/11/571064711.db2.gz KMKGUDVQTTWJQB-INIZCTEOSA-N 1 2 367.518 4.651 50 0 FJAALO CC(=O)c1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2ccccc2)cc1 ZINC000032960410 571066492 /nfs/dbraw/zinc/06/64/92/571066492.db2.gz RIZWFADPGFVVML-UHFFFAOYSA-N 1 2 356.429 4.984 50 0 FJAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000032960888 571067531 /nfs/dbraw/zinc/06/75/31/571067531.db2.gz ULWDDQBZVYAJBA-UHFFFAOYSA-N 1 2 373.431 4.750 50 0 FJAALO COc1cc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc(F)cc2)ccc1O ZINC000035616387 571078184 /nfs/dbraw/zinc/07/81/84/571078184.db2.gz PFCKIBXYZSZQEU-UHFFFAOYSA-N 1 2 363.392 4.907 50 0 FJAALO COC(=O)c1ccccc1Nc1c(-c2cccs2)[nH+]c2cccc(C)n21 ZINC000035616105 571078211 /nfs/dbraw/zinc/07/82/11/571078211.db2.gz IREXXOQVGDBTNG-UHFFFAOYSA-N 1 2 363.442 4.901 50 0 FJAALO c1coc(-c2noc(C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)n2)c1 ZINC000012765350 571083916 /nfs/dbraw/zinc/08/39/16/571083916.db2.gz SXRICRAEUCOPCJ-IBGZPJMESA-N 1 2 363.442 4.539 50 0 FJAALO c1coc(-c2noc(C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)n2)c1 ZINC000012765350 571083919 /nfs/dbraw/zinc/08/39/19/571083919.db2.gz SXRICRAEUCOPCJ-IBGZPJMESA-N 1 2 363.442 4.539 50 0 FJAALO Cc1ccc(C(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)cc1 ZINC000033019824 571105904 /nfs/dbraw/zinc/10/59/04/571105904.db2.gz MOJRFKJXZPSAGP-UHFFFAOYSA-N 1 2 369.468 4.919 50 0 FJAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000033019714 571106037 /nfs/dbraw/zinc/10/60/37/571106037.db2.gz CSIDHOWRTPNBHL-UHFFFAOYSA-N 1 2 373.431 4.750 50 0 FJAALO Cn1c2ccc(NC(=O)c3cccc(F)c3)cc2[nH+]c1CCc1ccccc1 ZINC000033020580 571106348 /nfs/dbraw/zinc/10/63/48/571106348.db2.gz 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205015983 /nfs/dbraw/zinc/01/59/83/205015983.db2.gz SJXCNUPMHXAXBS-FQEVSTJZSA-N 1 2 368.527 4.704 50 0 FJAALO Cc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000036446882 205015986 /nfs/dbraw/zinc/01/59/86/205015986.db2.gz SJXCNUPMHXAXBS-FQEVSTJZSA-N 1 2 368.527 4.704 50 0 FJAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036446878 205016326 /nfs/dbraw/zinc/01/63/26/205016326.db2.gz KYAVDHQOFHWPNM-FQEVSTJZSA-N 1 2 368.527 4.704 50 0 FJAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036446878 205016328 /nfs/dbraw/zinc/01/63/28/205016328.db2.gz KYAVDHQOFHWPNM-FQEVSTJZSA-N 1 2 368.527 4.704 50 0 FJAALO Fc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2c(F)cccc2F)cc1 ZINC000037523114 205027438 /nfs/dbraw/zinc/02/74/38/205027438.db2.gz OZEHBWXXRQOFJR-OAQYLSRUSA-N 1 2 356.391 4.901 50 0 FJAALO Fc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2c(F)cccc2F)cc1 ZINC000037523114 205027443 /nfs/dbraw/zinc/02/74/43/205027443.db2.gz OZEHBWXXRQOFJR-OAQYLSRUSA-N 1 2 356.391 4.901 50 0 FJAALO c1csc(C[N@H+](Cc2ccccc2)Cc2ccc3c(c2)OCCCO3)n1 ZINC000055107927 205207219 /nfs/dbraw/zinc/20/72/19/205207219.db2.gz LYUPEIIYYDHJKW-UHFFFAOYSA-N 1 2 366.486 4.507 50 0 FJAALO c1csc(C[N@@H+](Cc2ccccc2)Cc2ccc3c(c2)OCCCO3)n1 ZINC000055107927 205207224 /nfs/dbraw/zinc/20/72/24/205207224.db2.gz LYUPEIIYYDHJKW-UHFFFAOYSA-N 1 2 366.486 4.507 50 0 FJAALO O=C(Nc1cccc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055145432 205208032 /nfs/dbraw/zinc/20/80/32/205208032.db2.gz ZAGMCMBNANOEPJ-JXMROGBWSA-N 1 2 371.484 4.703 50 0 FJAALO CCc1nc(C[NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cs1 ZINC000058171316 205254493 /nfs/dbraw/zinc/25/44/93/205254493.db2.gz ZWIPPTSDJKGLJJ-HNNXBMFYSA-N 1 2 365.502 4.809 50 0 FJAALO Cc1ccc([C@@H](C)Cc2c(-c3ccccc3)[nH+]cn2Cc2ccncn2)o1 ZINC000065462951 205351760 /nfs/dbraw/zinc/35/17/60/205351760.db2.gz IWFDCTXZDWKPNW-INIZCTEOSA-N 1 2 358.445 4.636 50 0 FJAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1Cc1ccc(F)c(F)c1F ZINC000067673328 205380441 /nfs/dbraw/zinc/38/04/41/205380441.db2.gz QUXNPFJUZIMCSW-UHFFFAOYSA-N 1 2 368.362 4.714 50 0 FJAALO CCC[NH+](CCC)c1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000000825327 206134123 /nfs/dbraw/zinc/13/41/23/206134123.db2.gz KCLKFJVOXMQQQD-LJQANCHMSA-N 1 2 352.522 4.603 50 0 FJAALO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Sc4ccc(C)cc4)o3)C2)n[nH]1 ZINC000215581680 206347458 /nfs/dbraw/zinc/34/74/58/206347458.db2.gz LUBBOSQQBYOBCO-INIZCTEOSA-N 1 2 368.506 4.545 50 0 FJAALO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Sc4ccc(C)cc4)o3)C2)n[nH]1 ZINC000215581680 206347463 /nfs/dbraw/zinc/34/74/63/206347463.db2.gz LUBBOSQQBYOBCO-INIZCTEOSA-N 1 2 368.506 4.545 50 0 FJAALO CC1CC[NH+](Cc2csc(NC(=O)c3cccc4ccccc43)n2)CC1 ZINC000022324841 211346667 /nfs/dbraw/zinc/34/66/67/211346667.db2.gz WGPXEHZXBLIBHZ-UHFFFAOYSA-N 1 2 365.502 4.781 50 0 FJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000021818149 211327223 /nfs/dbraw/zinc/32/72/23/211327223.db2.gz UUJJGVMPIJBRQS-SFHVURJKSA-N 1 2 374.362 4.768 50 0 FJAALO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1OCC ZINC000021720331 211323179 /nfs/dbraw/zinc/32/31/79/211323179.db2.gz AVCXBHHVJYPWNU-GOSISDBHSA-N 1 2 358.482 4.933 50 0 FJAALO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1OCC ZINC000021720331 211323184 /nfs/dbraw/zinc/32/31/84/211323184.db2.gz AVCXBHHVJYPWNU-GOSISDBHSA-N 1 2 358.482 4.933 50 0 FJAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021719911 211323109 /nfs/dbraw/zinc/32/31/09/211323109.db2.gz ZSINTCSZDFODAA-IBGZPJMESA-N 1 2 366.465 4.534 50 0 FJAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021719911 211323113 /nfs/dbraw/zinc/32/31/13/211323113.db2.gz ZSINTCSZDFODAA-IBGZPJMESA-N 1 2 366.465 4.534 50 0 FJAALO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1F ZINC000021720832 211322995 /nfs/dbraw/zinc/32/29/95/211322995.db2.gz VXTLVGFXVRIYRU-OAHLLOKOSA-N 1 2 367.262 4.784 50 0 FJAALO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1F ZINC000021720832 211323001 /nfs/dbraw/zinc/32/30/01/211323001.db2.gz VXTLVGFXVRIYRU-OAHLLOKOSA-N 1 2 367.262 4.784 50 0 FJAALO COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC2 ZINC000019608345 211240731 /nfs/dbraw/zinc/24/07/31/211240731.db2.gz YBWZASUDKSNFAS-GOSISDBHSA-N 1 2 352.261 4.588 50 0 FJAALO COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC2 ZINC000019608345 211240736 /nfs/dbraw/zinc/24/07/36/211240736.db2.gz YBWZASUDKSNFAS-GOSISDBHSA-N 1 2 352.261 4.588 50 0 FJAALO c1ccc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019359470 211218170 /nfs/dbraw/zinc/21/81/70/211218170.db2.gz YETFRKTWSJIWAJ-UHFFFAOYSA-N 1 2 358.485 4.797 50 0 FJAALO c1ccc(COc2cccc(C[NH+]3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000019359750 211217868 /nfs/dbraw/zinc/21/78/68/211217868.db2.gz ATUHDMGCCUFYSF-UHFFFAOYSA-N 1 2 372.512 4.583 50 0 FJAALO Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc(Cl)ccc2C)cc1 ZINC000017041616 211175747 /nfs/dbraw/zinc/17/57/47/211175747.db2.gz FLMSMZUJYZJUKO-UHFFFAOYSA-N 1 2 363.852 4.698 50 0 FJAALO CCn1c(=S)n(C[N@H+](C)C2CCCC2)nc1-c1ccc(Cl)cc1 ZINC000014241318 211086653 /nfs/dbraw/zinc/08/66/53/211086653.db2.gz XNIAZTWCTLKQOT-UHFFFAOYSA-N 1 2 350.919 4.586 50 0 FJAALO CCn1c(=S)n(C[N@@H+](C)C2CCCC2)nc1-c1ccc(Cl)cc1 ZINC000014241318 211086657 /nfs/dbraw/zinc/08/66/57/211086657.db2.gz XNIAZTWCTLKQOT-UHFFFAOYSA-N 1 2 350.919 4.586 50 0 FJAALO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccsc1 ZINC000014068896 211070629 /nfs/dbraw/zinc/07/06/29/211070629.db2.gz JZMOQYTWANRDPZ-UHFFFAOYSA-N 1 2 352.459 4.611 50 0 FJAALO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccsc1 ZINC000014068896 211070633 /nfs/dbraw/zinc/07/06/33/211070633.db2.gz JZMOQYTWANRDPZ-UHFFFAOYSA-N 1 2 352.459 4.611 50 0 FJAALO Cc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000012914029 211006922 /nfs/dbraw/zinc/00/69/22/211006922.db2.gz NXFQVJYMSIIVAC-HXUWFJFHSA-N 1 2 368.527 4.704 50 0 FJAALO Cc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000012914029 211006928 /nfs/dbraw/zinc/00/69/28/211006928.db2.gz NXFQVJYMSIIVAC-HXUWFJFHSA-N 1 2 368.527 4.704 50 0 FJAALO CCc1cc(=O)oc2c(C)c3c(cc12)C[N@H+](C[C@@H](C)c1ccccc1)CO3 ZINC000020610047 220335868 /nfs/dbraw/zinc/33/58/68/220335868.db2.gz JUTAMKMAPXBSOS-OAHLLOKOSA-N 1 2 363.457 4.619 50 0 FJAALO CCc1cc(=O)oc2c(C)c3c(cc12)C[N@@H+](C[C@@H](C)c1ccccc1)CO3 ZINC000020610047 220335872 /nfs/dbraw/zinc/33/58/72/220335872.db2.gz JUTAMKMAPXBSOS-OAHLLOKOSA-N 1 2 363.457 4.619 50 0 FJAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccc(OCC)cc1 ZINC000000939527 210292197 /nfs/dbraw/zinc/29/21/97/210292197.db2.gz GBVPYUKNERXAGV-UHFFFAOYSA-N 1 2 350.418 4.862 50 0 FJAALO COc1ccc(CNc2[nH+]c3ccccc3n2Cc2ccccc2)cc1OC ZINC000000854869 210280355 /nfs/dbraw/zinc/28/03/55/210280355.db2.gz XMHKNVSRQRXIGV-UHFFFAOYSA-N 1 2 373.456 4.714 50 0 FJAALO Cn1c2ccccc2[nH+]c1NCc1nc2ccccc2n1Cc1ccccc1 ZINC000000845786 210278672 /nfs/dbraw/zinc/27/86/72/210278672.db2.gz LAKIFFMNDJWISN-UHFFFAOYSA-N 1 2 367.456 4.583 50 0 FJAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Cl)cc1Cl ZINC000022289145 220382377 /nfs/dbraw/zinc/38/23/77/220382377.db2.gz RQHLNAMEBXBBBK-UHFFFAOYSA-N 1 2 370.305 4.688 50 0 FJAALO CC(C)c1c(-c2ccccc2)[nH+]cn1Cc1csc(-c2cnccn2)n1 ZINC000065504610 221228217 /nfs/dbraw/zinc/22/82/17/221228217.db2.gz RXZKQMWMBULMKU-UHFFFAOYSA-N 1 2 361.474 4.635 50 0 FJAALO Cc1cccn2cc(-c3ccc(NC(=O)COC4CCCCC4)cc3)[nH+]c12 ZINC000069352011 221323825 /nfs/dbraw/zinc/32/38/25/221323825.db2.gz WIIBZJQHUDWXFW-UHFFFAOYSA-N 1 2 363.461 4.598 50 0 FJAALO Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)C1 ZINC000071735517 221357180 /nfs/dbraw/zinc/35/71/80/221357180.db2.gz PRZBZYLWWBYMJJ-LJQANCHMSA-N 1 2 373.500 4.870 50 0 FJAALO c1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)[nH+]c3ccccn32)cc1 ZINC000003906253 132385985 /nfs/dbraw/zinc/38/59/85/132385985.db2.gz QBVSPIXZTGYVGC-UHFFFAOYSA-N 1 2 370.456 4.582 50 0 FJAALO Clc1ccc(N2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000055543654 136126933 /nfs/dbraw/zinc/12/69/33/136126933.db2.gz MIVPROTVZNLQNP-UHFFFAOYSA-N 1 2 355.696 4.969 50 0 FJAALO Clc1ccc(N2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000055543656 136126975 /nfs/dbraw/zinc/12/69/75/136126975.db2.gz RLXSTRHYAGAYEJ-UHFFFAOYSA-N 1 2 355.696 4.969 50 0 FJAALO FC(F)(F)c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055543648 136126989 /nfs/dbraw/zinc/12/69/89/136126989.db2.gz LQTMOPHBAIIQDL-UHFFFAOYSA-N 1 2 354.803 4.681 50 0 FJAALO CC(C)c1[nH]c2cc(CCC(=O)NCc3ccc(F)c(Cl)c3)ccc2[nH+]1 ZINC000096332889 222115725 /nfs/dbraw/zinc/11/57/25/222115725.db2.gz XUYZJCHIJXAMKR-UHFFFAOYSA-N 1 2 373.859 4.728 50 0 FJAALO CC(C)c1[nH]c2ccc(CCC(=O)NCc3ccc(F)c(Cl)c3)cc2[nH+]1 ZINC000096332889 222115730 /nfs/dbraw/zinc/11/57/30/222115730.db2.gz XUYZJCHIJXAMKR-UHFFFAOYSA-N 1 2 373.859 4.728 50 0 FJAALO Cc1cc(NC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cc[nH+]1 ZINC000097164756 222166434 /nfs/dbraw/zinc/16/64/34/222166434.db2.gz CPBKGRGYCVYBKH-JOCHJYFZSA-N 1 2 357.457 4.764 50 0 FJAALO C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1[NH2+]Cc1ccccc1 ZINC000020158921 524529153 /nfs/dbraw/zinc/52/91/53/524529153.db2.gz YWOAWFNZYDOKRA-CYFREDJKSA-N 1 2 370.496 4.952 50 0 FJAALO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)no1 ZINC000216537686 525485402 /nfs/dbraw/zinc/48/54/02/525485402.db2.gz VSJDHBRWSXJDEF-QFIPXVFZSA-N 1 2 363.461 4.684 50 0 FJAALO Cc1cc([C@@H]2CCCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)no1 ZINC000216537686 525485413 /nfs/dbraw/zinc/48/54/13/525485413.db2.gz VSJDHBRWSXJDEF-QFIPXVFZSA-N 1 2 363.461 4.684 50 0 FJAALO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000089614024 526678673 /nfs/dbraw/zinc/67/86/73/526678673.db2.gz SVKOHIMHYNTPIT-INIZCTEOSA-N 1 2 359.539 4.823 50 0 FJAALO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000089614024 526678676 /nfs/dbraw/zinc/67/86/76/526678676.db2.gz SVKOHIMHYNTPIT-INIZCTEOSA-N 1 2 359.539 4.823 50 0 FJAALO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215321918 568063874 /nfs/dbraw/zinc/06/38/74/568063874.db2.gz XAOGRELHVWOLIO-UHFFFAOYSA-N 1 2 355.530 4.551 50 0 FJAALO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215321918 568063875 /nfs/dbraw/zinc/06/38/75/568063875.db2.gz XAOGRELHVWOLIO-UHFFFAOYSA-N 1 2 355.530 4.551 50 0 FJAALO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1cnc(C2CCCCC2)nc1 ZINC000215836017 568091573 /nfs/dbraw/zinc/09/15/73/568091573.db2.gz IIOWKWXPCJVKIQ-UHFFFAOYSA-N 1 2 362.477 4.811 50 0 FJAALO C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1cnc(C2CCCCC2)nc1 ZINC000215836017 568091574 /nfs/dbraw/zinc/09/15/74/568091574.db2.gz IIOWKWXPCJVKIQ-UHFFFAOYSA-N 1 2 362.477 4.811 50 0 FJAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccccc1OCC ZINC000000939526 570464506 /nfs/dbraw/zinc/46/45/06/570464506.db2.gz WXTJLJAEYXJNNE-UHFFFAOYSA-N 1 2 350.418 4.862 50 0 FJAALO Clc1ccc(-c2csc3ncnc(NCCCn4cc[nH+]c4)c23)cc1 ZINC000002684048 570527544 /nfs/dbraw/zinc/52/75/44/570527544.db2.gz DCAYWQGWUWDNIC-UHFFFAOYSA-N 1 2 369.881 4.710 50 0 FJAALO Cc1nn2c(nc(-c3ccccc3)cc2-n2cc[nH+]c2)c1-c1ccccc1 ZINC000005207976 570622329 /nfs/dbraw/zinc/62/23/29/570622329.db2.gz USDCYHJDUSGOGL-UHFFFAOYSA-N 1 2 351.413 4.557 50 0 FJAALO C(=C/c1ccccc1)\CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000005477621 570661694 /nfs/dbraw/zinc/66/16/94/570661694.db2.gz DZWGGXGVKHSELT-KPKJPENVSA-N 1 2 358.470 4.680 50 0 FJAALO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(C)s3)oc2C)cc1OC ZINC000012054255 570715523 /nfs/dbraw/zinc/71/55/23/570715523.db2.gz FBILCMKKPXFYSA-UHFFFAOYSA-N 1 2 372.490 4.669 50 0 FJAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(C)s3)oc2C)cc1OC ZINC000012054255 570715527 /nfs/dbraw/zinc/71/55/27/570715527.db2.gz FBILCMKKPXFYSA-UHFFFAOYSA-N 1 2 372.490 4.669 50 0 FJAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012093506 570718015 /nfs/dbraw/zinc/71/80/15/570718015.db2.gz FXPHVSNMENFSCS-LJQANCHMSA-N 1 2 367.514 4.706 50 0 FJAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012093506 570718020 /nfs/dbraw/zinc/71/80/20/570718020.db2.gz FXPHVSNMENFSCS-LJQANCHMSA-N 1 2 367.514 4.706 50 0 FJAALO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000012091545 570718219 /nfs/dbraw/zinc/71/82/19/570718219.db2.gz QNYPUDDEEZKIEV-LJQANCHMSA-N 1 2 367.424 4.612 50 0 FJAALO COc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000012091545 570718222 /nfs/dbraw/zinc/71/82/22/570718222.db2.gz QNYPUDDEEZKIEV-LJQANCHMSA-N 1 2 367.424 4.612 50 0 FJAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cs1 ZINC000012719103 570758261 /nfs/dbraw/zinc/75/82/61/570758261.db2.gz XFKBIFVPXNXWSZ-INIZCTEOSA-N 1 2 361.894 4.699 50 0 FJAALO CC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cs1 ZINC000012719103 570758264 /nfs/dbraw/zinc/75/82/64/570758264.db2.gz XFKBIFVPXNXWSZ-INIZCTEOSA-N 1 2 361.894 4.699 50 0 FJAALO COc1cc(C[N@H+](C)Cc2coc(-c3ccccc3)n2)ccc1OC(F)F ZINC000032753386 570793961 /nfs/dbraw/zinc/79/39/61/570793961.db2.gz ZWRWUJAXLGXPIC-UHFFFAOYSA-N 1 2 374.387 4.584 50 0 FJAALO COc1cc(C[N@@H+](C)Cc2coc(-c3ccccc3)n2)ccc1OC(F)F ZINC000032753386 570793964 /nfs/dbraw/zinc/79/39/64/570793964.db2.gz ZWRWUJAXLGXPIC-UHFFFAOYSA-N 1 2 374.387 4.584 50 0 FJAALO CCCc1nc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)cs1 ZINC000032905979 570846355 /nfs/dbraw/zinc/84/63/55/570846355.db2.gz YOKQMJAIDOQZQH-UHFFFAOYSA-N 1 2 367.503 4.517 50 0 FJAALO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1nc2ccccc2c(=O)[nH]1 ZINC000016694689 570860561 /nfs/dbraw/zinc/86/05/61/570860561.db2.gz PVDIFMABMWKVGE-WDEREUQCSA-N 1 2 362.260 4.642 50 0 FJAALO FC(F)(F)c1ccccc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019536837 570892196 /nfs/dbraw/zinc/89/21/96/570892196.db2.gz DUCUYDCUCOPAER-RMKNXTFCSA-N 1 2 360.423 4.536 50 0 FJAALO CCCN1c2ccccc2[N@@H+](CC(=O)c2ccc(Cl)c(Cl)c2)C1=N ZINC000019790308 570902706 /nfs/dbraw/zinc/90/27/06/570902706.db2.gz ZAPYKXLXFXZGSF-UHFFFAOYSA-N 1 2 362.260 4.522 50 0 FJAALO CCCN1c2ccccc2[N@H+](CC(=O)c2ccc(Cl)c(Cl)c2)C1=N ZINC000019790308 570902709 /nfs/dbraw/zinc/90/27/09/570902709.db2.gz ZAPYKXLXFXZGSF-UHFFFAOYSA-N 1 2 362.260 4.522 50 0 FJAALO Cc1ccc(-c2noc(C[N@@H+]([C@H](C)c3ccccc3F)C3CC3)n2)cc1 ZINC000108224136 570904377 /nfs/dbraw/zinc/90/43/77/570904377.db2.gz HAMVPTLBELWFNU-OAHLLOKOSA-N 1 2 351.425 4.910 50 0 FJAALO Cc1ccc(-c2noc(C[N@H+]([C@H](C)c3ccccc3F)C3CC3)n2)cc1 ZINC000108224136 570904380 /nfs/dbraw/zinc/90/43/80/570904380.db2.gz HAMVPTLBELWFNU-OAHLLOKOSA-N 1 2 351.425 4.910 50 0 FJAALO CC[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000021135527 570928467 /nfs/dbraw/zinc/92/84/67/570928467.db2.gz YOACJFVGHFQQIM-GOSISDBHSA-N 1 2 357.523 4.507 50 0 FJAALO Fc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000025361060 570994909 /nfs/dbraw/zinc/99/49/09/570994909.db2.gz CJPZJOKAJNPLIW-QGZVFWFLSA-N 1 2 357.816 4.866 50 0 FJAALO Fc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000025361060 570994913 /nfs/dbraw/zinc/99/49/13/570994913.db2.gz CJPZJOKAJNPLIW-QGZVFWFLSA-N 1 2 357.816 4.866 50 0 FJAALO c1ccc(C[N@@H+]2CCO[C@H](COc3ccc4c(c3)[nH]c3ccccc34)C2)cc1 ZINC000025638886 570998028 /nfs/dbraw/zinc/99/80/28/570998028.db2.gz OBTPBGRQJMCIAX-FQEVSTJZSA-N 1 2 372.468 4.601 50 0 FJAALO c1ccc(C[N@H+]2CCO[C@H](COc3ccc4c(c3)[nH]c3ccccc34)C2)cc1 ZINC000025638886 570998031 /nfs/dbraw/zinc/99/80/31/570998031.db2.gz OBTPBGRQJMCIAX-FQEVSTJZSA-N 1 2 372.468 4.601 50 0 FJAALO c1ccc(C[N@@H+]2CCO[C@@H](COc3ccc4c(c3)[nH]c3ccccc34)C2)cc1 ZINC000025638892 570998262 /nfs/dbraw/zinc/99/82/62/570998262.db2.gz OBTPBGRQJMCIAX-HXUWFJFHSA-N 1 2 372.468 4.601 50 0 FJAALO c1ccc(C[N@H+]2CCO[C@@H](COc3ccc4c(c3)[nH]c3ccccc34)C2)cc1 ZINC000025638892 570998266 /nfs/dbraw/zinc/99/82/66/570998266.db2.gz OBTPBGRQJMCIAX-HXUWFJFHSA-N 1 2 372.468 4.601 50 0 FJAALO Cc1cc2occ(CC(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)c2cc1C ZINC000027095930 571010277 /nfs/dbraw/zinc/01/02/77/571010277.db2.gz RSCVNWRRRHZNCV-QGZVFWFLSA-N 1 2 373.456 4.655 50 0 FJAALO COc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004126248 571049632 /nfs/dbraw/zinc/04/96/32/571049632.db2.gz WLYXLXIOTCRRDD-UHFFFAOYSA-N 1 2 373.412 4.525 50 0 FJAALO O=C(Nc1ccccc1)c1ccc(CSc2[nH+]cc3ccccn32)cc1 ZINC000008705712 571055828 /nfs/dbraw/zinc/05/58/28/571055828.db2.gz BYYWAGAUKLVEIF-UHFFFAOYSA-N 1 2 359.454 4.879 50 0 FJAALO COc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000032960657 571067546 /nfs/dbraw/zinc/06/75/46/571067546.db2.gz UJEBAFCBGLVIJN-UHFFFAOYSA-N 1 2 371.440 4.609 50 0 FJAALO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000072310613 571070515 /nfs/dbraw/zinc/07/05/15/571070515.db2.gz ZBSCLXSNMMUSMB-YTEVENLXSA-N 1 2 356.318 4.924 50 0 FJAALO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000072310613 571070520 /nfs/dbraw/zinc/07/05/20/571070520.db2.gz ZBSCLXSNMMUSMB-YTEVENLXSA-N 1 2 356.318 4.924 50 0 FJAALO Cc1ccc2nc(C[NH2+][C@H](c3cccs3)c3ccc(F)cc3)cn2c1 ZINC000012750001 571072972 /nfs/dbraw/zinc/07/29/72/571072972.db2.gz JTKZNZWOOMFVPT-FQEVSTJZSA-N 1 2 351.450 4.723 50 0 FJAALO Cc1c(CO)[nH+]cn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034659558 571073701 /nfs/dbraw/zinc/07/37/01/571073701.db2.gz CVSNQZVXFMLQBI-UHFFFAOYSA-N 1 2 354.453 4.524 50 0 FJAALO Cc1c2ccccc2oc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000032988439 571083676 /nfs/dbraw/zinc/08/36/76/571083676.db2.gz GWKDOSTWBXFJBJ-UHFFFAOYSA-N 1 2 369.490 4.682 50 0 FJAALO Oc1ccc(Br)cc1-c1[nH+]c2ccccn2c1NC1CCCC1 ZINC000004597537 571100940 /nfs/dbraw/zinc/10/09/40/571100940.db2.gz XHDBGWCXSRTWFZ-UHFFFAOYSA-N 1 2 372.266 4.824 50 0 FJAALO Cc1cccc(C(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)c1 ZINC000033020535 571106320 /nfs/dbraw/zinc/10/63/20/571106320.db2.gz SMZPTRXDHWCWJI-UHFFFAOYSA-N 1 2 369.468 4.919 50 0 FJAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1ccccc1 ZINC000072328519 571112561 /nfs/dbraw/zinc/11/25/61/571112561.db2.gz MPIAINXXEGPUJB-UHFFFAOYSA-N 1 2 367.880 4.982 50 0 FJAALO O=C(Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1)c1cccc(F)c1 ZINC000015863747 571139309 /nfs/dbraw/zinc/13/93/09/571139309.db2.gz YWWKHZXTZJWEKJ-UHFFFAOYSA-N 1 2 359.404 4.740 50 0 FJAALO COc1ccccc1[C@H](CC[NH+]1CCOCC1)Oc1ccc(C(C)C)cc1 ZINC000034740054 571147516 /nfs/dbraw/zinc/14/75/16/571147516.db2.gz SJHRTILQOGRJKP-QHCPKHFHSA-N 1 2 369.505 4.661 50 0 FJAALO COc1ccc2cc([C@@H]3C[N@H+](CCC(F)(F)C(F)F)CCO3)ccc2c1 ZINC000071735970 571164072 /nfs/dbraw/zinc/16/40/72/571164072.db2.gz SMWNDIHGFQCLNL-KRWDZBQOSA-N 1 2 371.374 4.512 50 0 FJAALO COc1ccc2cc([C@@H]3C[N@@H+](CCC(F)(F)C(F)F)CCO3)ccc2c1 ZINC000071735970 571164073 /nfs/dbraw/zinc/16/40/73/571164073.db2.gz SMWNDIHGFQCLNL-KRWDZBQOSA-N 1 2 371.374 4.512 50 0 FJAALO O=C(Cc1ccccc1Cl)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575619238 571172058 /nfs/dbraw/zinc/17/20/58/571172058.db2.gz IVSFMQNUSXIGRP-UHFFFAOYSA-N 1 2 365.864 4.721 50 0 FJAALO c1ncn(C2CCCC2)c1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072146057 571173511 /nfs/dbraw/zinc/17/35/11/571173511.db2.gz FUCZTQDFNIKTHX-GOSISDBHSA-N 1 2 352.507 4.945 50 0 FJAALO c1ncn(C2CCCC2)c1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072146057 571173514 /nfs/dbraw/zinc/17/35/14/571173514.db2.gz FUCZTQDFNIKTHX-GOSISDBHSA-N 1 2 352.507 4.945 50 0 FJAALO Cc1ccc(NC(=O)N(C)[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000012530995 571174894 /nfs/dbraw/zinc/17/48/94/571174894.db2.gz ROWCUIYEOGXLGX-SFHVURJKSA-N 1 2 368.868 4.635 50 0 FJAALO c1cn(-c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc32)c[nH+]1 ZINC000012548116 571178770 /nfs/dbraw/zinc/17/87/70/571178770.db2.gz UATLFSKRXRMCCQ-UHFFFAOYSA-N 1 2 355.426 4.606 50 0 FJAALO FC(F)(F)c1cnc(NCc2cn3cc(Cl)ccc3[nH+]2)c(Cl)c1 ZINC000012556845 571181259 /nfs/dbraw/zinc/18/12/59/571181259.db2.gz NSCIEAWPYSOEIS-UHFFFAOYSA-N 1 2 361.154 4.667 50 0 FJAALO Cc1nn(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(=S)n1-c1ccc(C)cc1 ZINC000012564595 571183887 /nfs/dbraw/zinc/18/38/87/571183887.db2.gz HZLYXXQOVLYNBM-HXUWFJFHSA-N 1 2 364.518 4.815 50 0 FJAALO Cc1nn(C[N@H+]2CCC[C@@H]2c2ccccc2)c(=S)n1-c1ccc(C)cc1 ZINC000012564595 571183889 /nfs/dbraw/zinc/18/38/89/571183889.db2.gz HZLYXXQOVLYNBM-HXUWFJFHSA-N 1 2 364.518 4.815 50 0 FJAALO Cc1[nH+]cc(NC(=O)c2ccccc2C)n1-c1nc(-c2ccccc2)cs1 ZINC000035682932 571187393 /nfs/dbraw/zinc/18/73/93/571187393.db2.gz WQSUGAQWBIIUOX-UHFFFAOYSA-N 1 2 374.469 4.865 50 0 FJAALO CCc1ccc(C[N@H+](C)Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)cc1 ZINC000013097942 571203923 /nfs/dbraw/zinc/20/39/23/571203923.db2.gz FANPZAWLKBCBCF-UHFFFAOYSA-N 1 2 372.925 4.913 50 0 FJAALO CCc1ccc(C[N@@H+](C)Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)cc1 ZINC000013097942 571203926 /nfs/dbraw/zinc/20/39/26/571203926.db2.gz FANPZAWLKBCBCF-UHFFFAOYSA-N 1 2 372.925 4.913 50 0 FJAALO C[C@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023080760 571206021 /nfs/dbraw/zinc/20/60/21/571206021.db2.gz BEKJRBAMNBXYDF-BJRSVTDJSA-N 1 2 367.452 4.916 50 0 FJAALO Cn1cc[nH+]c1-c1ccccc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077407865 571210551 /nfs/dbraw/zinc/21/05/51/571210551.db2.gz IODKCLKYHYPRFJ-FQEVSTJZSA-N 1 2 363.436 4.594 50 0 FJAALO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3cc(-c4ccccc4)no3)nc2c1 ZINC000077503245 571213658 /nfs/dbraw/zinc/21/36/58/571213658.db2.gz MGROQUZCUXKBBW-NRFANRHFSA-N 1 2 358.445 4.863 50 0 FJAALO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3cc(-c4ccccc4)no3)nc2c1 ZINC000077503245 571213659 /nfs/dbraw/zinc/21/36/59/571213659.db2.gz MGROQUZCUXKBBW-NRFANRHFSA-N 1 2 358.445 4.863 50 0 FJAALO Cc1ccc2nc([C@@H]3CCC[N@@H+]3Cc3cc(-c4ccccc4)no3)[nH]c2c1 ZINC000077503245 571213662 /nfs/dbraw/zinc/21/36/62/571213662.db2.gz MGROQUZCUXKBBW-NRFANRHFSA-N 1 2 358.445 4.863 50 0 FJAALO Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3cc(-c4ccccc4)no3)[nH]c2c1 ZINC000077503245 571213663 /nfs/dbraw/zinc/21/36/63/571213663.db2.gz MGROQUZCUXKBBW-NRFANRHFSA-N 1 2 358.445 4.863 50 0 FJAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C(C)C)cc1)[NH+]1CCCCC1)S2 ZINC000023157144 571218998 /nfs/dbraw/zinc/21/89/98/571218998.db2.gz WXHCAFHOXWTNAC-KRWDZBQOSA-N 1 2 370.522 4.504 50 0 FJAALO Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=S)N3CCCCCC3)cc12 ZINC000036077150 571240191 /nfs/dbraw/zinc/24/01/91/571240191.db2.gz MGPWOAHGVIOVAU-UHFFFAOYSA-N 1 2 368.550 4.716 50 0 FJAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)CC(C)C ZINC000006689538 571240598 /nfs/dbraw/zinc/24/05/98/571240598.db2.gz XBMNNNWWONMZQO-UHFFFAOYSA-N 1 2 361.917 4.616 50 0 FJAALO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]2c2cccs2)c1=S ZINC000007143688 571262503 /nfs/dbraw/zinc/26/25/03/571262503.db2.gz GRRVDRYXMUHYLP-OAHLLOKOSA-N 1 2 374.510 4.613 50 0 FJAALO Cn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H]2c2cccs2)c1=S ZINC000007143688 571262505 /nfs/dbraw/zinc/26/25/05/571262505.db2.gz GRRVDRYXMUHYLP-OAHLLOKOSA-N 1 2 374.510 4.613 50 0 FJAALO O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccccc1Cl ZINC000089866578 571273731 /nfs/dbraw/zinc/27/37/31/571273731.db2.gz AUXOYVMMQPGNEE-UHFFFAOYSA-N 1 2 365.864 4.549 50 0 FJAALO O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccccc1Cl ZINC000089866578 571273733 /nfs/dbraw/zinc/27/37/33/571273733.db2.gz AUXOYVMMQPGNEE-UHFFFAOYSA-N 1 2 365.864 4.549 50 0 FJAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)CC(C)C)cc2)[nH+]1 ZINC000017013016 571274797 /nfs/dbraw/zinc/27/47/97/571274797.db2.gz RMYVXZKDQPASNF-UHFFFAOYSA-N 1 2 367.497 4.504 50 0 FJAALO COc1ccccc1NC(=[NH2+])SCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000007666436 571285464 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Cc1ccc(C(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1 ZINC000015863693 211147963 /nfs/dbraw/zinc/14/79/63/211147963.db2.gz PBFUYPXDEXNCOK-UHFFFAOYSA-N 1 2 369.468 4.919 50 0 FJAALO Cc1ccc(C(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)cc1 ZINC000015863624 211147158 /nfs/dbraw/zinc/14/71/58/211147158.db2.gz XPMIYXORZQOTBT-UHFFFAOYSA-N 1 2 355.441 4.909 50 0 FJAALO C[C@H]([NH2+][C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1)c1ccccc1 ZINC000013898472 211064257 /nfs/dbraw/zinc/06/42/57/211064257.db2.gz DXSUACXFCFLVGJ-AOMKIAJQSA-N 1 2 360.432 4.831 50 0 FJAALO Cc1cc(C)cc(NC(=S)NNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000001440900 210353440 /nfs/dbraw/zinc/35/34/40/210353440.db2.gz DTQWKLAEGZIEMY-UHFFFAOYSA-N 1 2 356.882 4.819 50 0 FJAALO CCCc1nc(Cn2c[nH+]c(-c3ccccc3)c2[C@H]2CCOC2)cs1 ZINC000065452867 221219671 /nfs/dbraw/zinc/21/96/71/221219671.db2.gz QJVDBIMKXQSFGP-INIZCTEOSA-N 1 2 353.491 4.511 50 0 FJAALO Cc1ccc2[nH]c(C[NH2+][C@@H](c3ccncc3)c3ccccc3C)nc2c1C ZINC000067947420 221308186 /nfs/dbraw/zinc/30/81/86/221308186.db2.gz GHHSDQTYXJJEOB-QHCPKHFHSA-N 1 2 356.473 4.762 50 0 FJAALO Cc1ccc2nc(C[NH2+][C@@H](c3ccncc3)c3ccccc3C)[nH]c2c1C ZINC000067947420 221308189 /nfs/dbraw/zinc/30/81/89/221308189.db2.gz GHHSDQTYXJJEOB-QHCPKHFHSA-N 1 2 356.473 4.762 50 0 FJAALO O=C1c2ccccc2N[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1c1ccccc1 ZINC000007128442 132259082 /nfs/dbraw/zinc/25/90/82/132259082.db2.gz FFNPUQNSVBPQMP-QFIPXVFZSA-N 1 2 366.424 4.643 50 0 FJAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000055544067 136126941 /nfs/dbraw/zinc/12/69/41/136126941.db2.gz OMCLQBONVZZJQK-UHFFFAOYSA-N 1 2 365.304 4.714 50 0 FJAALO CCOc1ccccc1N1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000055543965 136126987 /nfs/dbraw/zinc/12/69/87/136126987.db2.gz PBZDRMPQEVGVRC-UHFFFAOYSA-N 1 2 365.304 4.714 50 0 FJAALO FC(F)(F)c1ccccc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000055543984 136127090 /nfs/dbraw/zinc/12/70/90/136127090.db2.gz QRECUOHRFPIWSV-UHFFFAOYSA-N 1 2 354.803 4.681 50 0 FJAALO Cc1cc(C)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(C)[nH+]1 ZINC000097040383 222153981 /nfs/dbraw/zinc/15/39/81/222153981.db2.gz CGZSTVQFHCCEIW-UHFFFAOYSA-N 1 2 369.852 4.887 50 0 FJAALO Cc1noc(C)c1Cn1ccc(-c2cccc(-c3ccc(C)[nH+]c3C)c2)n1 ZINC000020862973 526539308 /nfs/dbraw/zinc/53/93/08/526539308.db2.gz NMMRKVCSACXOJN-UHFFFAOYSA-N 1 2 358.445 4.882 50 0 FJAALO Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@H]3c3ccsc3)nc(=O)c2c1C ZINC000253531056 526895520 /nfs/dbraw/zinc/89/55/20/526895520.db2.gz SFQSUEAQEVWPDA-FZMZJTMJSA-N 1 2 359.520 4.973 50 0 FJAALO Cc1sc2[nH]c([C@H](C)[N@H+]3CCC[C@H]3c3ccsc3)nc(=O)c2c1C ZINC000253531056 526895523 /nfs/dbraw/zinc/89/55/23/526895523.db2.gz SFQSUEAQEVWPDA-FZMZJTMJSA-N 1 2 359.520 4.973 50 0 FJAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(SC)cc2)C1 ZINC000095518409 570466929 /nfs/dbraw/zinc/46/69/29/570466929.db2.gz MIBFJMZORZKXNL-MRXNPFEDSA-N 1 2 372.538 4.817 50 0 FJAALO Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)cc1C ZINC000024050702 570549058 /nfs/dbraw/zinc/54/90/58/570549058.db2.gz WVUSHIZYTVQBFC-UHFFFAOYSA-N 1 2 374.469 4.865 50 0 FJAALO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)cc1 ZINC000011815570 570707705 /nfs/dbraw/zinc/70/77/05/570707705.db2.gz NADVLCCDJWSBTB-KRWDZBQOSA-N 1 2 373.543 4.768 50 0 FJAALO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)cc1 ZINC000011815570 570707709 /nfs/dbraw/zinc/70/77/09/570707709.db2.gz NADVLCCDJWSBTB-KRWDZBQOSA-N 1 2 373.543 4.768 50 0 FJAALO COc1cccc2c1OCCC[N@H+](Cc1nc(-c3ccsc3)oc1C)C2 ZINC000012585823 570752033 /nfs/dbraw/zinc/75/20/33/570752033.db2.gz WCHPEMWTXFPREO-UHFFFAOYSA-N 1 2 370.474 4.505 50 0 FJAALO COc1cccc2c1OCCC[N@@H+](Cc1nc(-c3ccsc3)oc1C)C2 ZINC000012585823 570752037 /nfs/dbraw/zinc/75/20/37/570752037.db2.gz WCHPEMWTXFPREO-UHFFFAOYSA-N 1 2 370.474 4.505 50 0 FJAALO Cc1ccc(Cl)c(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000013425422 570777541 /nfs/dbraw/zinc/77/75/41/570777541.db2.gz GAKXMGPYGDIPID-HNNXBMFYSA-N 1 2 358.869 4.561 50 0 FJAALO C[C@@H]([NH2+][C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1)c1ccccc1 ZINC000013898469 570795934 /nfs/dbraw/zinc/79/59/34/570795934.db2.gz DXSUACXFCFLVGJ-ZHRRBRCNSA-N 1 2 360.432 4.831 50 0 FJAALO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000016694692 570860464 /nfs/dbraw/zinc/86/04/64/570860464.db2.gz PVDIFMABMWKVGE-MNOVXSKESA-N 1 2 362.260 4.642 50 0 FJAALO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(Cl)cc1Cl)CC2 ZINC000019537598 570892615 /nfs/dbraw/zinc/89/26/15/570892615.db2.gz AZEOSUKJHNKXSY-UHFFFAOYSA-N 1 2 352.261 4.569 50 0 FJAALO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(Cl)cc1Cl)CC2 ZINC000019537598 570892617 /nfs/dbraw/zinc/89/26/17/570892617.db2.gz AZEOSUKJHNKXSY-UHFFFAOYSA-N 1 2 352.261 4.569 50 0 FJAALO CCSc1nc2sc3c(c2c(SCC)n1)CC(C)(C)[N@@H+](C)C3 ZINC000020813350 570925441 /nfs/dbraw/zinc/92/54/41/570925441.db2.gz ZYVRZOLGROSEBB-UHFFFAOYSA-N 1 2 353.582 4.682 50 0 FJAALO CCSc1nc2sc3c(c2c(SCC)n1)CC(C)(C)[N@H+](C)C3 ZINC000020813350 570925444 /nfs/dbraw/zinc/92/54/44/570925444.db2.gz ZYVRZOLGROSEBB-UHFFFAOYSA-N 1 2 353.582 4.682 50 0 FJAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)c(OC)c2)no1 ZINC000021720280 570933329 /nfs/dbraw/zinc/93/33/29/570933329.db2.gz AHGNOMCUDJUIMG-IBGZPJMESA-N 1 2 358.482 4.760 50 0 FJAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OC(C)C)c(OC)c2)no1 ZINC000021720280 570933330 /nfs/dbraw/zinc/93/33/30/570933330.db2.gz AHGNOMCUDJUIMG-IBGZPJMESA-N 1 2 358.482 4.760 50 0 FJAALO Cn1cc[nH+]c1[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)c1cccc(F)c1 ZINC000023778708 570967995 /nfs/dbraw/zinc/96/79/95/570967995.db2.gz IPVKJGKNWLKWRX-GXOAENINSA-N 1 2 371.500 4.617 50 0 FJAALO c1cc(-c2noc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)n2)cs1 ZINC000024573884 570978132 /nfs/dbraw/zinc/97/81/32/570978132.db2.gz MCOFGJWLWBIETJ-AWEZNQCLSA-N 1 2 368.487 4.745 50 0 FJAALO c1cc(-c2noc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)n2)cs1 ZINC000024573884 570978134 /nfs/dbraw/zinc/97/81/34/570978134.db2.gz MCOFGJWLWBIETJ-AWEZNQCLSA-N 1 2 368.487 4.745 50 0 FJAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000026371077 571005331 /nfs/dbraw/zinc/00/53/31/571005331.db2.gz YUUVMFOQWIGISC-SNVBAGLBSA-N 1 2 366.273 4.760 50 0 FJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)NCc3ccccc3)cc12 ZINC000032953781 571011922 /nfs/dbraw/zinc/01/19/22/571011922.db2.gz YCESRFJOTIQZBS-UHFFFAOYSA-N 1 2 374.488 4.855 50 0 FJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)NC3CCCC3)cc12 ZINC000032953786 571011979 /nfs/dbraw/zinc/01/19/79/571011979.db2.gz OEZMCVZZGODDFS-UHFFFAOYSA-N 1 2 352.482 4.598 50 0 FJAALO c1nn(-c2ccccc2)c2nc[nH+]c(SCc3cccc4cccnc43)c12 ZINC000029865111 571044184 /nfs/dbraw/zinc/04/41/84/571044184.db2.gz JZUAWPDXYOARON-UHFFFAOYSA-N 1 2 369.453 4.656 50 0 FJAALO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000072310612 571070734 /nfs/dbraw/zinc/07/07/34/571070734.db2.gz ZBSCLXSNMMUSMB-VERVWZFWSA-N 1 2 356.318 4.924 50 0 FJAALO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000072310612 571070735 /nfs/dbraw/zinc/07/07/35/571070735.db2.gz ZBSCLXSNMMUSMB-VERVWZFWSA-N 1 2 356.318 4.924 50 0 FJAALO FC(F)(F)c1cnc(NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000084403232 571084598 /nfs/dbraw/zinc/08/45/98/571084598.db2.gz GLXJODPYVNXATC-UHFFFAOYSA-N 1 2 352.747 4.552 50 0 FJAALO COc1ccccc1C[NH2+][C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000012769569 571088328 /nfs/dbraw/zinc/08/83/28/571088328.db2.gz JURNDKPUCOIYIC-HSZRJFAPSA-N 1 2 374.484 4.782 50 0 FJAALO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012780581 571098399 /nfs/dbraw/zinc/09/83/99/571098399.db2.gz NUXCWZPARSHXES-CYBMUJFWSA-N 1 2 373.909 4.717 50 0 FJAALO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012780581 571098400 /nfs/dbraw/zinc/09/84/00/571098400.db2.gz NUXCWZPARSHXES-CYBMUJFWSA-N 1 2 373.909 4.717 50 0 FJAALO Cn1c2ccccc2[nH+]c1CCc1ccccc1NC(=O)c1ccccc1F ZINC000033019796 571105298 /nfs/dbraw/zinc/10/52/98/571105298.db2.gz YCDPIVQWKDABIV-UHFFFAOYSA-N 1 2 373.431 4.750 50 0 FJAALO Cn1c2ccc(NC(=O)C3CCCCC3)cc2[nH+]c1CCc1ccccc1 ZINC000015863832 571139282 /nfs/dbraw/zinc/13/92/82/571139282.db2.gz BQNAEPOKGMISHK-UHFFFAOYSA-N 1 2 361.489 4.877 50 0 FJAALO COc1ccc(C[N@H+](C)Cc2nc3ccccc3c(C)c2Cl)cc1F ZINC000012911418 571143945 /nfs/dbraw/zinc/14/39/45/571143945.db2.gz GYDWWXWBKYWCJE-UHFFFAOYSA-N 1 2 358.844 4.976 50 0 FJAALO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(C)c2Cl)cc1F ZINC000012911418 571143948 /nfs/dbraw/zinc/14/39/48/571143948.db2.gz GYDWWXWBKYWCJE-UHFFFAOYSA-N 1 2 358.844 4.976 50 0 FJAALO CCn1c(CCc2ccccc2NC(=O)c2ccoc2)[nH+]c2ccccc21 ZINC000033261469 571146785 /nfs/dbraw/zinc/14/67/85/571146785.db2.gz AQYVXXSJPGCWNC-UHFFFAOYSA-N 1 2 359.429 4.687 50 0 FJAALO COc1ccccc1[C@@H](CC[NH+]1CCOCC1)Oc1ccc(C(C)C)cc1 ZINC000034740055 571147269 /nfs/dbraw/zinc/14/72/69/571147269.db2.gz SJHRTILQOGRJKP-HSZRJFAPSA-N 1 2 369.505 4.661 50 0 FJAALO Cc1cc(N2CCC[C@](CO)(Cc3ccccc3F)C2)[nH+]c2ccccc12 ZINC000067909040 571151937 /nfs/dbraw/zinc/15/19/37/571151937.db2.gz KWLWKVBSABJJQM-QHCPKHFHSA-N 1 2 364.464 4.504 50 0 FJAALO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)cc1 ZINC000075092126 571154295 /nfs/dbraw/zinc/15/42/95/571154295.db2.gz ZQVQLXAWOLGYGQ-INIZCTEOSA-N 1 2 354.494 4.936 50 0 FJAALO Cc1[nH]c2ccc(CCC(=O)Nc3ccc(Br)c(C)c3)cc2[nH+]1 ZINC000033169587 571162601 /nfs/dbraw/zinc/16/26/01/571162601.db2.gz UQRYGJLGEXYNQZ-UHFFFAOYSA-N 1 2 372.266 4.514 50 0 FJAALO Cc1[nH]c2cc(CCC(=O)Nc3ccc(Br)c(C)c3)ccc2[nH+]1 ZINC000033169587 571162604 /nfs/dbraw/zinc/16/26/04/571162604.db2.gz UQRYGJLGEXYNQZ-UHFFFAOYSA-N 1 2 372.266 4.514 50 0 FJAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)C2CCC2)cc1 ZINC000033252637 571168674 /nfs/dbraw/zinc/16/86/74/571168674.db2.gz FGNSAYPWSJVKMS-UHFFFAOYSA-N 1 2 361.489 4.970 50 0 FJAALO Cc1c[nH]c(CN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)[nH+]1 ZINC000072172685 571177733 /nfs/dbraw/zinc/17/77/33/571177733.db2.gz ZSYWTECRJVPECF-UHFFFAOYSA-N 1 2 370.456 4.514 50 0 FJAALO Cc1cc(C)n(-c2cc(NCc3ccccc3)[nH+]c(-c3ccccc3)n2)n1 ZINC000001227001 571185294 /nfs/dbraw/zinc/18/52/94/571185294.db2.gz BLLBJBTUMDWCBT-UHFFFAOYSA-N 1 2 355.445 4.558 50 0 FJAALO CCCc1[nH]c2ccc(CCC(=O)Nc3cccc(SC)c3)cc2[nH+]1 ZINC000075465661 571186272 /nfs/dbraw/zinc/18/62/72/571186272.db2.gz MBSMQZRQPVEXRB-UHFFFAOYSA-N 1 2 353.491 4.809 50 0 FJAALO CCCc1[nH]c2cc(CCC(=O)Nc3cccc(SC)c3)ccc2[nH+]1 ZINC000075465661 571186275 /nfs/dbraw/zinc/18/62/75/571186275.db2.gz MBSMQZRQPVEXRB-UHFFFAOYSA-N 1 2 353.491 4.809 50 0 FJAALO Cc1[nH+]c2ccccc2n1C[C@H](O)Cn1c2ccc(C)cc2c2c1CCCC2 ZINC000003648932 571186763 /nfs/dbraw/zinc/18/67/63/571186763.db2.gz IPRMBCGSQNTBJH-SFHVURJKSA-N 1 2 373.500 4.548 50 0 FJAALO COc1cccc([C@H](C)NC(=O)CCc2ccc3[nH+]c(C(C)C)[nH]c3c2)c1 ZINC000075478776 571189042 /nfs/dbraw/zinc/18/90/42/571189042.db2.gz WMLSLEKTDFMPIZ-HNNXBMFYSA-N 1 2 365.477 4.505 50 0 FJAALO COc1cccc([C@H](C)NC(=O)CCc2ccc3[nH]c(C(C)C)[nH+]c3c2)c1 ZINC000075478776 571189043 /nfs/dbraw/zinc/18/90/43/571189043.db2.gz WMLSLEKTDFMPIZ-HNNXBMFYSA-N 1 2 365.477 4.505 50 0 FJAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)Cc2ccon2)cc1 ZINC000072476456 571199179 /nfs/dbraw/zinc/19/91/79/571199179.db2.gz XBQFLUJPYHBOKY-UHFFFAOYSA-N 1 2 373.456 4.839 50 0 FJAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)Cc2ccon2)cc1 ZINC000072476456 571199180 /nfs/dbraw/zinc/19/91/80/571199180.db2.gz XBQFLUJPYHBOKY-UHFFFAOYSA-N 1 2 373.456 4.839 50 0 FJAALO COc1ccc2cc(C[N@H+](C)Cc3ccon3)c(-c3cccc(C)c3)nc2c1 ZINC000072480191 571199788 /nfs/dbraw/zinc/19/97/88/571199788.db2.gz VCGBKULCKZNGAV-UHFFFAOYSA-N 1 2 373.456 4.839 50 0 FJAALO COc1ccc2cc(C[N@@H+](C)Cc3ccon3)c(-c3cccc(C)c3)nc2c1 ZINC000072480191 571199791 /nfs/dbraw/zinc/19/97/91/571199791.db2.gz VCGBKULCKZNGAV-UHFFFAOYSA-N 1 2 373.456 4.839 50 0 FJAALO Cc1nc2sc3c(c2c(SCc2cn4c(cccc4C)[nH+]2)n1)CCC3 ZINC000012624013 571204602 /nfs/dbraw/zinc/20/46/02/571204602.db2.gz ZLTMZSXHQXDQQI-UHFFFAOYSA-N 1 2 366.515 4.737 50 0 FJAALO CCOc1ccc2[nH]c(SCc3cn4cc(Cl)ccc4[nH+]3)nc2c1 ZINC000006567031 571209743 /nfs/dbraw/zinc/20/97/43/571209743.db2.gz SIHDHLRBRARTEP-UHFFFAOYSA-N 1 2 358.854 4.555 50 0 FJAALO CCOc1ccc(-c2nc(C[N@H+](C)Cc3ccc(F)cc3)cs2)cc1 ZINC000006579055 571210297 /nfs/dbraw/zinc/21/02/97/571210297.db2.gz PMEVWLJKFLTLFO-UHFFFAOYSA-N 1 2 356.466 4.980 50 0 FJAALO CCOc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(F)cc3)cs2)cc1 ZINC000006579055 571210298 /nfs/dbraw/zinc/21/02/98/571210298.db2.gz PMEVWLJKFLTLFO-UHFFFAOYSA-N 1 2 356.466 4.980 50 0 FJAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccccc1F ZINC000006602816 571212335 /nfs/dbraw/zinc/21/23/35/571212335.db2.gz VALJWFLKXSNJPF-QGZVFWFLSA-N 1 2 362.448 4.952 50 0 FJAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccccc1F ZINC000006602816 571212337 /nfs/dbraw/zinc/21/23/37/571212337.db2.gz VALJWFLKXSNJPF-QGZVFWFLSA-N 1 2 362.448 4.952 50 0 FJAALO Cc1ccc(-c2csc3[nH]c(C[N@H+]4CCCC[C@@H]4C)nc(=O)c23)cc1C ZINC000036203717 571244992 /nfs/dbraw/zinc/24/49/92/571244992.db2.gz JNBZKAJZDYDNAM-HNNXBMFYSA-N 1 2 367.518 4.643 50 0 FJAALO Cc1ccc(-c2csc3[nH]c(C[N@@H+]4CCCC[C@@H]4C)nc(=O)c23)cc1C ZINC000036203717 571244993 /nfs/dbraw/zinc/24/49/93/571244993.db2.gz JNBZKAJZDYDNAM-HNNXBMFYSA-N 1 2 367.518 4.643 50 0 FJAALO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2F)cc1 ZINC000036347579 571248878 /nfs/dbraw/zinc/24/88/78/571248878.db2.gz QXEPXFUDHRKCFA-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2F)cc1 ZINC000036347579 571248879 /nfs/dbraw/zinc/24/88/79/571248879.db2.gz QXEPXFUDHRKCFA-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C)c1 ZINC000037520169 571286655 /nfs/dbraw/zinc/28/66/55/571286655.db2.gz AREWOLKZCNCOGW-AWEZNQCLSA-N 1 2 363.288 4.539 50 0 FJAALO Cc1cccc(C[N@H+]2CCN(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C)c1 ZINC000037520169 571286657 /nfs/dbraw/zinc/28/66/57/571286657.db2.gz AREWOLKZCNCOGW-AWEZNQCLSA-N 1 2 363.288 4.539 50 0 FJAALO Cc1ccc(Nc2nnc(SCc3cn4cccc(C)c4[nH+]3)s2)cc1 ZINC000007758434 571288095 /nfs/dbraw/zinc/28/80/95/571288095.db2.gz SXWFOMQYVVVDNR-UHFFFAOYSA-N 1 2 367.503 4.839 50 0 FJAALO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922118 571294350 /nfs/dbraw/zinc/29/43/50/571294350.db2.gz XLQDKYPDFHBTRJ-HNNXBMFYSA-N 1 2 353.491 4.545 50 0 FJAALO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922118 571294351 /nfs/dbraw/zinc/29/43/51/571294351.db2.gz XLQDKYPDFHBTRJ-HNNXBMFYSA-N 1 2 353.491 4.545 50 0 FJAALO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1Cl ZINC000007922143 571294353 /nfs/dbraw/zinc/29/43/53/571294353.db2.gz MFHMEEMFHMUNSL-ZDUSSCGKSA-N 1 2 373.909 4.890 50 0 FJAALO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1Cl ZINC000007922143 571294354 /nfs/dbraw/zinc/29/43/54/571294354.db2.gz MFHMEEMFHMUNSL-ZDUSSCGKSA-N 1 2 373.909 4.890 50 0 FJAALO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922122 571294364 /nfs/dbraw/zinc/29/43/64/571294364.db2.gz DDVAKYAXUSHWPN-ZDUSSCGKSA-N 1 2 373.909 4.890 50 0 FJAALO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922122 571294365 /nfs/dbraw/zinc/29/43/65/571294365.db2.gz DDVAKYAXUSHWPN-ZDUSSCGKSA-N 1 2 373.909 4.890 50 0 FJAALO C[N@H+](CC(=O)Nc1ccccc1Sc1ccccc1)Cc1ccsc1 ZINC000007926920 571294542 /nfs/dbraw/zinc/29/45/42/571294542.db2.gz MQRNITNGCCSVIR-UHFFFAOYSA-N 1 2 368.527 4.970 50 0 FJAALO C[N@@H+](CC(=O)Nc1ccccc1Sc1ccccc1)Cc1ccsc1 ZINC000007926920 571294543 /nfs/dbraw/zinc/29/45/43/571294543.db2.gz MQRNITNGCCSVIR-UHFFFAOYSA-N 1 2 368.527 4.970 50 0 FJAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccccc1)N1CCCCC1 ZINC000095471175 571330622 /nfs/dbraw/zinc/33/06/22/571330622.db2.gz FAZMUOZTYBXWOC-UHFFFAOYSA-N 1 2 363.436 4.612 50 0 FJAALO CCOc1ccccc1-c1nnc(SCc2ccc3[nH]c(C)[nH+]c3c2)o1 ZINC000095941655 571332468 /nfs/dbraw/zinc/33/24/68/571332468.db2.gz OJYAVISOWBWRSZ-UHFFFAOYSA-N 1 2 366.446 4.612 50 0 FJAALO CCOc1ccccc1-c1nnc(SCc2ccc3[nH+]c(C)[nH]c3c2)o1 ZINC000095941655 571332469 /nfs/dbraw/zinc/33/24/69/571332469.db2.gz OJYAVISOWBWRSZ-UHFFFAOYSA-N 1 2 366.446 4.612 50 0 FJAALO C[C@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)c1ccncc1 ZINC000095959229 571332973 /nfs/dbraw/zinc/33/29/73/571332973.db2.gz WSGOOZAJCBDZID-ZDUSSCGKSA-N 1 2 359.882 4.621 50 0 FJAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2csc(C(C)(C)C)n2)cc1OC ZINC000030926788 571349721 /nfs/dbraw/zinc/34/97/21/571349721.db2.gz DOXLUBPLHITLKJ-MRXNPFEDSA-N 1 2 360.523 4.795 50 0 FJAALO COc1ccc([C@H]2CCC[N@H+]2Cc2csc(C(C)(C)C)n2)cc1OC ZINC000030926788 571349722 /nfs/dbraw/zinc/34/97/22/571349722.db2.gz DOXLUBPLHITLKJ-MRXNPFEDSA-N 1 2 360.523 4.795 50 0 FJAALO C[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000003583396 571351287 /nfs/dbraw/zinc/35/12/87/571351287.db2.gz BADZAPVVFQCQRO-GFCCVEGCSA-N 1 2 373.909 4.679 50 0 FJAALO C[C@@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000003583396 571351288 /nfs/dbraw/zinc/35/12/88/571351288.db2.gz BADZAPVVFQCQRO-GFCCVEGCSA-N 1 2 373.909 4.679 50 0 FJAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(Cl)cc1 ZINC000008133061 571359417 /nfs/dbraw/zinc/35/94/17/571359417.db2.gz ZRPJCUCXZVHLOF-INIZCTEOSA-N 1 2 371.893 4.725 50 0 FJAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(Cl)cc1 ZINC000008133061 571359418 /nfs/dbraw/zinc/35/94/18/571359418.db2.gz ZRPJCUCXZVHLOF-INIZCTEOSA-N 1 2 371.893 4.725 50 0 FJAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc2ccccc21 ZINC000000857464 219332425 /nfs/dbraw/zinc/33/24/25/219332425.db2.gz XVZXIEPDUSRTHB-GOSISDBHSA-N 1 2 360.457 4.582 50 0 FJAALO O=C(Nc1ccccc1)O[C@@H]1/C(=C/c2ccccc2F)[NH+]2CCC1CC2 ZINC000001395978 204002803 /nfs/dbraw/zinc/00/28/03/204002803.db2.gz PKJFIIDWAYSGIP-STIKNRRDSA-N 1 2 352.409 4.510 50 0 FJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccc(F)cc2)cc1 ZINC000005532727 204213414 /nfs/dbraw/zinc/21/34/14/204213414.db2.gz MNBTZNIZVNRBDD-UHFFFAOYSA-N 1 2 350.422 4.555 50 0 FJAALO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000005938422 204230636 /nfs/dbraw/zinc/23/06/36/204230636.db2.gz SUNIWELTMYVLLT-UHFFFAOYSA-N 1 2 350.506 4.930 50 0 FJAALO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000005938422 204230640 /nfs/dbraw/zinc/23/06/40/204230640.db2.gz SUNIWELTMYVLLT-UHFFFAOYSA-N 1 2 350.506 4.930 50 0 FJAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006587774 204254431 /nfs/dbraw/zinc/25/44/31/204254431.db2.gz SJJIECLPRJDMKO-UHFFFAOYSA-N 1 2 369.468 4.828 50 0 FJAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000007909646 204310338 /nfs/dbraw/zinc/31/03/38/204310338.db2.gz XXUJUOICGOMFGQ-GOSISDBHSA-N 1 2 365.502 4.689 50 0 FJAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000007909646 204310341 /nfs/dbraw/zinc/31/03/41/204310341.db2.gz XXUJUOICGOMFGQ-GOSISDBHSA-N 1 2 365.502 4.689 50 0 FJAALO C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008229867 204322635 /nfs/dbraw/zinc/32/26/35/204322635.db2.gz DEEDSAVEZGHQGG-QGZVFWFLSA-N 1 2 372.472 4.554 50 0 FJAALO Cn1ncc2c1nc[nH+]c2Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000009532179 204373504 /nfs/dbraw/zinc/37/35/04/204373504.db2.gz RNLXNMLQJPJSPF-UHFFFAOYSA-N 1 2 351.797 4.553 50 0 FJAALO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N(Cc2ccccc2)C(C)C)c1 ZINC000009627520 204375728 /nfs/dbraw/zinc/37/57/28/204375728.db2.gz PGDPAKFSEFVCEH-UHFFFAOYSA-N 1 2 371.488 4.847 50 0 FJAALO Cc1[nH+]c2ccccc2n1CC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000036708729 204384994 /nfs/dbraw/zinc/38/49/94/204384994.db2.gz QISWNJFFTALOSM-UHFFFAOYSA-N 1 2 373.456 4.643 50 0 FJAALO O=C(c1ccccc1)C1CC[NH+](Cn2c3ccccc3sc2=S)CC1 ZINC000014310876 204579335 /nfs/dbraw/zinc/57/93/35/204579335.db2.gz ZIJAYLGZHADIRW-UHFFFAOYSA-N 1 2 368.527 4.985 50 0 FJAALO Cc1cccc(C)c1NC(=S)N1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000058096115 205249492 /nfs/dbraw/zinc/24/94/92/205249492.db2.gz DWCVTEKYAKHYAZ-UHFFFAOYSA-N 1 2 373.953 4.819 50 0 FJAALO Cc1cccc(C)c1NC(=S)N1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000058096115 205249497 /nfs/dbraw/zinc/24/94/97/205249497.db2.gz DWCVTEKYAKHYAZ-UHFFFAOYSA-N 1 2 373.953 4.819 50 0 FJAALO COc1cc(C)c(-c2nc(C[NH+]3CCC(F)(F)CC3)c(C)o2)cc1C ZINC000067694671 205384541 /nfs/dbraw/zinc/38/45/41/205384541.db2.gz ULGRJLWBIIDASP-UHFFFAOYSA-N 1 2 350.409 4.507 50 0 FJAALO CCCCCc1ccc(NC(=O)N2CCc3c([nH+]cn3C3CC3)C2)cc1 ZINC000097141409 205899349 /nfs/dbraw/zinc/89/93/49/205899349.db2.gz OWYPHWQECRWGKY-UHFFFAOYSA-N 1 2 352.482 4.541 50 0 FJAALO O=C(/C=C/c1cccs1)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000044225020 206068218 /nfs/dbraw/zinc/06/82/18/206068218.db2.gz ASXGAVWCXPRANS-VAWYXSNFSA-N 1 2 365.502 4.728 50 0 FJAALO O=C(CCSc1ccccc1)Nc1cccc2ccc(-n3cc[nH+]c3)nc21 ZINC000049028082 206085117 /nfs/dbraw/zinc/08/51/17/206085117.db2.gz FCTPRNNEKUZISI-UHFFFAOYSA-N 1 2 374.469 4.541 50 0 FJAALO CC[C@@H](C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022352723 211348665 /nfs/dbraw/zinc/34/86/65/211348665.db2.gz QLKBBDUOFKZPIO-DYESRHJHSA-N 1 2 370.924 4.620 50 0 FJAALO C[C@@H](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000022290920 211346346 /nfs/dbraw/zinc/34/63/46/211346346.db2.gz FUWBVOLAFBTRTN-INIZCTEOSA-N 1 2 357.523 4.507 50 0 FJAALO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1F ZINC000021720830 211323120 /nfs/dbraw/zinc/32/31/20/211323120.db2.gz VXTLVGFXVRIYRU-HNNXBMFYSA-N 1 2 367.262 4.784 50 0 FJAALO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1F ZINC000021720830 211323123 /nfs/dbraw/zinc/32/31/23/211323123.db2.gz VXTLVGFXVRIYRU-HNNXBMFYSA-N 1 2 367.262 4.784 50 0 FJAALO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000021720514 211322528 /nfs/dbraw/zinc/32/25/28/211322528.db2.gz CPUVCEQCJVMCSC-OAHLLOKOSA-N 1 2 353.235 4.530 50 0 FJAALO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000021720514 211322532 /nfs/dbraw/zinc/32/25/32/211322532.db2.gz CPUVCEQCJVMCSC-OAHLLOKOSA-N 1 2 353.235 4.530 50 0 FJAALO CC(C)c1csc(C[NH2+]Cc2cccnc2Oc2ccccc2F)n1 ZINC000019741944 211253884 /nfs/dbraw/zinc/25/38/84/211253884.db2.gz URFNGAITHOBJBF-UHFFFAOYSA-N 1 2 357.454 4.883 50 0 FJAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cc(C)c(Cl)c(C)c1 ZINC000016903699 211171926 /nfs/dbraw/zinc/17/19/26/211171926.db2.gz ABCSLJFVDUAARI-MRXNPFEDSA-N 1 2 372.896 4.699 50 0 FJAALO O=C(Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000015863744 211147451 /nfs/dbraw/zinc/14/74/51/211147451.db2.gz BOUYLWYIGJPDBY-UHFFFAOYSA-N 1 2 359.404 4.740 50 0 FJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N[C@H](C)c2ccccc2)cc1Cl ZINC000010386286 210368878 /nfs/dbraw/zinc/36/88/78/210368878.db2.gz STASWFFNNXUULG-CQSZACIVSA-N 1 2 363.852 4.950 50 0 FJAALO C[NH+](C)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000000955930 210296165 /nfs/dbraw/zinc/29/61/65/210296165.db2.gz DDKTZWLSEOAESZ-UHFFFAOYSA-N 1 2 363.442 4.726 50 0 FJAALO Cc1cc2oc(=O)cc(C[N@H+](Cc3ccco3)Cc3ccccn3)c2cc1C ZINC000065371430 221204601 /nfs/dbraw/zinc/20/46/01/221204601.db2.gz XDDNSANKCGZHLX-UHFFFAOYSA-N 1 2 374.440 4.600 50 0 FJAALO Cc1cc2oc(=O)cc(C[N@@H+](Cc3ccco3)Cc3ccccn3)c2cc1C ZINC000065371430 221204603 /nfs/dbraw/zinc/20/46/03/221204603.db2.gz XDDNSANKCGZHLX-UHFFFAOYSA-N 1 2 374.440 4.600 50 0 FJAALO CCC[C@H](c1[nH+]ccn1C)n1cnc(-c2ccccc2)c1-c1ccncc1 ZINC000065380723 221206683 /nfs/dbraw/zinc/20/66/83/221206683.db2.gz URPZBFMSSTUNJZ-LJQANCHMSA-N 1 2 357.461 4.735 50 0 FJAALO CC(=O)N1CCC[C@H](n2c[nH+]c(-c3ccccc3)c2CCc2ccccc2)C1 ZINC000065409585 221216661 /nfs/dbraw/zinc/21/66/61/221216661.db2.gz SITKBDSTRCSBLN-QFIPXVFZSA-N 1 2 373.500 4.519 50 0 FJAALO Cc1cc(F)ccc1-c1c(-c2ccccc2)ncn1CCCn1cc[nH+]c1 ZINC000065496766 221226948 /nfs/dbraw/zinc/22/69/48/221226948.db2.gz VUXIAWTVDRTSJF-UHFFFAOYSA-N 1 2 360.436 4.951 50 0 FJAALO CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1CCCC[C@@H]1CCCO1 ZINC000065528564 221231123 /nfs/dbraw/zinc/23/11/23/221231123.db2.gz CLJKPTDQXYNHDS-LJQANCHMSA-N 1 2 364.493 4.783 50 0 FJAALO CC[N@H+](Cc1cnc2c(-c3ccccc3)cnn2c1)Cc1ccccc1F ZINC000067871498 221297823 /nfs/dbraw/zinc/29/78/23/221297823.db2.gz HCWTYHBXJYNMER-UHFFFAOYSA-N 1 2 360.436 4.558 50 0 FJAALO CC[N@@H+](Cc1cnc2c(-c3ccccc3)cnn2c1)Cc1ccccc1F ZINC000067871498 221297826 /nfs/dbraw/zinc/29/78/26/221297826.db2.gz HCWTYHBXJYNMER-UHFFFAOYSA-N 1 2 360.436 4.558 50 0 FJAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](Cc1ccsc1)CCO2 ZINC000071315550 221341883 /nfs/dbraw/zinc/34/18/83/221341883.db2.gz JMNOMRGEPOFRRX-UHFFFAOYSA-N 1 2 351.471 4.824 50 0 FJAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](Cc1ccsc1)CCO2 ZINC000071315550 221341885 /nfs/dbraw/zinc/34/18/85/221341885.db2.gz JMNOMRGEPOFRRX-UHFFFAOYSA-N 1 2 351.471 4.824 50 0 FJAALO O=C(Nc1cc[nH+]cc1N1CCCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000096012127 132216998 /nfs/dbraw/zinc/21/69/98/132216998.db2.gz SCNUEYUDVFJKJL-UHFFFAOYSA-N 1 2 374.444 4.512 50 0 FJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3cccc(F)c3)cc12 ZINC000003648780 132385610 /nfs/dbraw/zinc/38/56/10/132385610.db2.gz JEGNUAPSMAQUAV-UHFFFAOYSA-N 1 2 363.436 4.925 50 0 FJAALO CCCCc1nc(Cl)c(C[NH+]2CCC(OC3CCCCC3)CC2)[nH]1 ZINC000097105586 222160053 /nfs/dbraw/zinc/16/00/53/222160053.db2.gz HQIKBSJWLFWMLR-UHFFFAOYSA-N 1 2 353.938 4.719 50 0 FJAALO Cc1cccc(Cl)c1NC(=O)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082120897 524483643 /nfs/dbraw/zinc/48/36/43/524483643.db2.gz UIUBAZNQTWHRQD-INIZCTEOSA-N 1 2 372.900 4.666 50 0 FJAALO Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082120898 524484703 /nfs/dbraw/zinc/48/47/03/524484703.db2.gz UIUBAZNQTWHRQD-MRXNPFEDSA-N 1 2 372.900 4.666 50 0 FJAALO COc1cccc(-c2ncc(C[N@@H+]3CCCC[C@H]3c3cc(C)on3)s2)c1 ZINC000215972833 568098366 /nfs/dbraw/zinc/09/83/66/568098366.db2.gz CAKXRGMODPIQAI-IBGZPJMESA-N 1 2 369.490 4.842 50 0 FJAALO COc1cccc(-c2ncc(C[N@H+]3CCCC[C@H]3c3cc(C)on3)s2)c1 ZINC000215972833 568098367 /nfs/dbraw/zinc/09/83/67/568098367.db2.gz CAKXRGMODPIQAI-IBGZPJMESA-N 1 2 369.490 4.842 50 0 FJAALO COc1cccc(-c2nc(C[N@H+](C)Cc3ccc(F)c(F)c3)cs2)c1 ZINC000032760738 568401379 /nfs/dbraw/zinc/40/13/79/568401379.db2.gz HCYDZNZMKYMDNS-UHFFFAOYSA-N 1 2 360.429 4.729 50 0 FJAALO COc1cccc(-c2nc(C[N@@H+](C)Cc3ccc(F)c(F)c3)cs2)c1 ZINC000032760738 568401380 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CC1CC[NH+](Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)CC1 ZINC000013071539 220056062 /nfs/dbraw/zinc/05/60/62/220056062.db2.gz RLTOTFQUIKXTSO-UHFFFAOYSA-N 1 2 357.310 4.604 50 0 FJAALO CC[C@@H](C)c1ccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000013325025 220064206 /nfs/dbraw/zinc/06/42/06/220064206.db2.gz XVEQNBDPLMQLSL-QGZVFWFLSA-N 1 2 367.493 4.676 50 0 FJAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591627 220187990 /nfs/dbraw/zinc/18/79/90/220187990.db2.gz GYPOTVXOBVHNEB-VHSXEESVSA-N 1 2 369.214 4.595 50 0 FJAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591627 220187992 /nfs/dbraw/zinc/18/79/92/220187992.db2.gz GYPOTVXOBVHNEB-VHSXEESVSA-N 1 2 369.214 4.595 50 0 FJAALO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000016694691 220191062 /nfs/dbraw/zinc/19/10/62/220191062.db2.gz PVDIFMABMWKVGE-GHMZBOCLSA-N 1 2 362.260 4.642 50 0 FJAALO COc1ccc(NC(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)cc1 ZINC000004649859 207034073 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C[N@H+](Cc1ccccc1)Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000008061704 207218628 /nfs/dbraw/zinc/21/86/28/207218628.db2.gz SYQIJBZYQGAGDP-UHFFFAOYSA-N 1 2 356.520 4.567 50 0 FJAALO Cc1cc(C)cc(NC(=O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000007922210 207211968 /nfs/dbraw/zinc/21/19/68/207211968.db2.gz COPOUCACLMNXBF-OAHLLOKOSA-N 1 2 353.491 4.545 50 0 FJAALO Cc1cc(C)cc(NC(=O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000007922210 207211971 /nfs/dbraw/zinc/21/19/71/207211971.db2.gz COPOUCACLMNXBF-OAHLLOKOSA-N 1 2 353.491 4.545 50 0 FJAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c(C)c1 ZINC000007922290 207212069 /nfs/dbraw/zinc/21/20/69/207212069.db2.gz LSFIEFQUMBEJGN-MRXNPFEDSA-N 1 2 367.518 4.853 50 0 FJAALO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c(C)c1 ZINC000007922290 207212071 /nfs/dbraw/zinc/21/20/71/207212071.db2.gz LSFIEFQUMBEJGN-MRXNPFEDSA-N 1 2 367.518 4.853 50 0 FJAALO CCCCC(=O)Nc1ccc(Nc2nc(N(CC)CC)cc(C)[nH+]2)cc1 ZINC000009573377 207276810 /nfs/dbraw/zinc/27/68/10/207276810.db2.gz USBPIMWPFQRGJE-UHFFFAOYSA-N 1 2 355.486 4.504 50 0 FJAALO Fc1cccc([C@H]2CCCC[N@@H+]2Cc2nc(Cc3ccccc3F)no2)c1 ZINC000012387031 207367045 /nfs/dbraw/zinc/36/70/45/207367045.db2.gz FTSLIDOEYXIDAO-LJQANCHMSA-N 1 2 369.415 4.666 50 0 FJAALO Fc1cccc([C@H]2CCCC[N@H+]2Cc2nc(Cc3ccccc3F)no2)c1 ZINC000012387031 207367050 /nfs/dbraw/zinc/36/70/50/207367050.db2.gz FTSLIDOEYXIDAO-LJQANCHMSA-N 1 2 369.415 4.666 50 0 FJAALO O=C(CSc1[nH+]cc2ccccn21)N(Cc1ccco1)C1=CCCCC1 ZINC000012560389 207393136 /nfs/dbraw/zinc/39/31/36/207393136.db2.gz YZGLEJAXOKLJDW-UHFFFAOYSA-N 1 2 367.474 4.506 50 0 FJAALO Cc1ccc(C(=O)[C@@H](Sc2nc(N)cc(C)[nH+]2)c2ccc(C)cc2)cc1 ZINC000023106322 207832802 /nfs/dbraw/zinc/83/28/02/207832802.db2.gz ILQMIEKFLPGDKD-FQEVSTJZSA-N 1 2 363.486 4.700 50 0 FJAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600950 208132336 /nfs/dbraw/zinc/13/23/36/208132336.db2.gz GYPOTVXOBVHNEB-ZJUUUORDSA-N 1 2 369.214 4.595 50 0 FJAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600950 208132339 /nfs/dbraw/zinc/13/23/39/208132339.db2.gz GYPOTVXOBVHNEB-ZJUUUORDSA-N 1 2 369.214 4.595 50 0 FJAALO Clc1ccccc1-c1nc(C[NH+]2CCC(Cc3ccccc3)CC2)no1 ZINC000034904525 208112823 /nfs/dbraw/zinc/11/28/23/208112823.db2.gz QSTNRJOKBJLLSJ-UHFFFAOYSA-N 1 2 367.880 4.845 50 0 FJAALO Cc1ccc(-c2csc3[nH]c(C[N@H+]4CCCC[C@H]4C)nc(=O)c23)cc1C ZINC000036203720 208148462 /nfs/dbraw/zinc/14/84/62/208148462.db2.gz JNBZKAJZDYDNAM-OAHLLOKOSA-N 1 2 367.518 4.643 50 0 FJAALO Cc1ccc(-c2csc3[nH]c(C[N@@H+]4CCCC[C@H]4C)nc(=O)c23)cc1C ZINC000036203720 208148463 /nfs/dbraw/zinc/14/84/63/208148463.db2.gz JNBZKAJZDYDNAM-OAHLLOKOSA-N 1 2 367.518 4.643 50 0 FJAALO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000048302934 208397877 /nfs/dbraw/zinc/39/78/77/208397877.db2.gz RQGXZWVBHZPCJK-ZDUSSCGKSA-N 1 2 350.447 4.539 50 0 FJAALO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000048302934 208397881 /nfs/dbraw/zinc/39/78/81/208397881.db2.gz RQGXZWVBHZPCJK-ZDUSSCGKSA-N 1 2 350.447 4.539 50 0 FJAALO CCC[C@@H](C)c1n[nH]c2c1C[N@H+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000019608368 220280582 /nfs/dbraw/zinc/28/05/82/220280582.db2.gz MZUGPDVKLYDSDC-BEFAXECRSA-N 1 2 357.498 4.706 50 0 FJAALO CCC[C@@H](C)c1n[nH]c2c1C[N@@H+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000019608368 220280586 /nfs/dbraw/zinc/28/05/86/220280586.db2.gz MZUGPDVKLYDSDC-BEFAXECRSA-N 1 2 357.498 4.706 50 0 FJAALO CCC[C@@H](C)c1[nH]nc2c1C[N@H+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000019608368 220280590 /nfs/dbraw/zinc/28/05/90/220280590.db2.gz MZUGPDVKLYDSDC-BEFAXECRSA-N 1 2 357.498 4.706 50 0 FJAALO CCC[C@@H](C)c1[nH]nc2c1C[N@@H+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000019608368 220280592 /nfs/dbraw/zinc/28/05/92/220280592.db2.gz MZUGPDVKLYDSDC-BEFAXECRSA-N 1 2 357.498 4.706 50 0 FJAALO CCCn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000019953731 220306239 /nfs/dbraw/zinc/30/62/39/220306239.db2.gz VDCAZAIMQDVKAV-UHFFFAOYSA-N 1 2 364.276 4.718 50 0 FJAALO Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1 ZINC000020662132 220337484 /nfs/dbraw/zinc/33/74/84/220337484.db2.gz SQGJUBNIIXRWSQ-UHFFFAOYSA-N 1 2 363.852 4.698 50 0 FJAALO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1F ZINC000021720121 220364487 /nfs/dbraw/zinc/36/44/87/220364487.db2.gz BHDTZMYQJWLEDM-OAHLLOKOSA-N 1 2 353.235 4.530 50 0 FJAALO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1F ZINC000021720121 220364490 /nfs/dbraw/zinc/36/44/90/220364490.db2.gz BHDTZMYQJWLEDM-OAHLLOKOSA-N 1 2 353.235 4.530 50 0 FJAALO CCCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022351624 220384178 /nfs/dbraw/zinc/38/41/78/220384178.db2.gz QEJJMFRDAATTBI-JOCHJYFZSA-N 1 2 370.924 4.764 50 0 FJAALO CSc1cccc(NC(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)c1 ZINC000092019441 209010287 /nfs/dbraw/zinc/01/02/87/209010287.db2.gz MUKGLKQXEAXOOV-UHFFFAOYSA-N 1 2 358.511 4.597 50 0 FJAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3oc(C)cc3c2)C1 ZINC000095366389 209031023 /nfs/dbraw/zinc/03/10/23/209031023.db2.gz DSIGOUPXLWWZNH-SFHVURJKSA-N 1 2 365.477 4.758 50 0 FJAALO COC(=O)c1ccc([C@H]2Oc3ccccc3C[N@@H+]2C2CCCCC2)cc1 ZINC000057312726 221086083 /nfs/dbraw/zinc/08/60/83/221086083.db2.gz BRNIAKGFYBLQRL-OAQYLSRUSA-N 1 2 351.446 4.699 50 0 FJAALO COC(=O)c1ccc([C@H]2Oc3ccccc3C[N@H+]2C2CCCCC2)cc1 ZINC000057312726 221086085 /nfs/dbraw/zinc/08/60/85/221086085.db2.gz BRNIAKGFYBLQRL-OAQYLSRUSA-N 1 2 351.446 4.699 50 0 FJAALO FC(F)(F)c1ccc(Cn2c[nH+]c(-c3ccccc3)c2[C@@H]2CCOC2)cn1 ZINC000065410747 221215641 /nfs/dbraw/zinc/21/56/41/221215641.db2.gz VWCBJDMPEGHYOE-MRXNPFEDSA-N 1 2 373.378 4.516 50 0 FJAALO CS[C@H](C)Cc1c(-c2ccccc2)[nH+]cn1CCCNc1cccnc1 ZINC000065455766 221220438 /nfs/dbraw/zinc/22/04/38/221220438.db2.gz UKIDROHDVUBUHZ-QGZVFWFLSA-N 1 2 366.534 4.741 50 0 FJAALO Cc1ccc([C@@H](C)Cc2c(-c3ccccc3)[nH+]cn2Cc2cnn(C)c2C)o1 ZINC000065507518 221228522 /nfs/dbraw/zinc/22/85/22/221228522.db2.gz ULLKURCMSSPVGY-INIZCTEOSA-N 1 2 374.488 4.888 50 0 FJAALO CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1CCCC[C@H]1CCCO1 ZINC000065528565 221230570 /nfs/dbraw/zinc/23/05/70/221230570.db2.gz CLJKPTDQXYNHDS-IBGZPJMESA-N 1 2 364.493 4.783 50 0 FJAALO C[N@H+](Cc1ccc(Br)s1)Cc1ncc(-c2ccccc2)o1 ZINC000069450763 221324848 /nfs/dbraw/zinc/32/48/48/221324848.db2.gz HOCKAUKKDOKHPQ-UHFFFAOYSA-N 1 2 363.280 4.798 50 0 FJAALO C[N@@H+](Cc1ccc(Br)s1)Cc1ncc(-c2ccccc2)o1 ZINC000069450763 221324851 /nfs/dbraw/zinc/32/48/51/221324851.db2.gz HOCKAUKKDOKHPQ-UHFFFAOYSA-N 1 2 363.280 4.798 50 0 FJAALO COc1cccc2ccc(N3CCC[C@@H](c4[nH]c5ccccc5[nH+]4)C3)nc21 ZINC000095515423 132213443 /nfs/dbraw/zinc/21/34/43/132213443.db2.gz VUCZFHNCTYPIOO-MRXNPFEDSA-N 1 2 358.445 4.504 50 0 FJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)/C=C/c3ccco3)cc12 ZINC000003649604 132385642 /nfs/dbraw/zinc/38/56/42/132385642.db2.gz QQWQQZMOIXWVEI-CSKARUKUSA-N 1 2 361.445 4.778 50 0 FJAALO Cc1ccccc1N1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000057679899 136130002 /nfs/dbraw/zinc/13/00/02/136130002.db2.gz UFCGISHMWJRGGS-UHFFFAOYSA-N 1 2 367.880 4.626 50 0 FJAALO Cc1nc(C(=O)NCCCCCc2[nH]c3ccccc3[nH+]2)c(C(C)C)s1 ZINC000096230951 222091331 /nfs/dbraw/zinc/09/13/31/222091331.db2.gz GSYIBAKJCXDSMO-UHFFFAOYSA-N 1 2 370.522 4.594 50 0 FJAALO Cc1ccc(-c2nc(C[N@@H+](C)Cc3c(C)nc4ccccn43)c(C)o2)s1 ZINC000019744695 263375552 /nfs/dbraw/zinc/37/55/52/263375552.db2.gz NYXPICRYMHYHJT-UHFFFAOYSA-N 1 2 366.490 4.608 50 0 FJAALO Cc1ccc(-c2nc(C[N@H+](C)Cc3c(C)nc4ccccn43)c(C)o2)s1 ZINC000019744695 263375553 /nfs/dbraw/zinc/37/55/53/263375553.db2.gz NYXPICRYMHYHJT-UHFFFAOYSA-N 1 2 366.490 4.608 50 0 FJAALO Cc1ccc(-c2nc(CN(C)Cc3c(C)[nH+]c4ccccn43)c(C)o2)s1 ZINC000019744695 263375554 /nfs/dbraw/zinc/37/55/54/263375554.db2.gz NYXPICRYMHYHJT-UHFFFAOYSA-N 1 2 366.490 4.608 50 0 FJAALO CCc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)[nH+]c1-c1ccc(Cl)cc1 ZINC000020166538 263378695 /nfs/dbraw/zinc/37/86/95/263378695.db2.gz POSVHCKGVFJZCN-AWEZNQCLSA-N 1 2 357.885 4.551 50 0 FJAALO CCCN1c2ccccc2[N@@H+](CC(=O)c2ccc(-c3ccccc3)cc2)C1=N ZINC000019855195 521638266 /nfs/dbraw/zinc/63/82/66/521638266.db2.gz YPOYMIUNIQOUIC-UHFFFAOYSA-N 1 2 369.468 4.882 50 0 FJAALO CCCN1c2ccccc2[N@H+](CC(=O)c2ccc(-c3ccccc3)cc2)C1=N ZINC000019855195 521638270 /nfs/dbraw/zinc/63/82/70/521638270.db2.gz YPOYMIUNIQOUIC-UHFFFAOYSA-N 1 2 369.468 4.882 50 0 FJAALO Cc1ccc(C2(c3noc(C[N@H+](C)Cc4cccs4)n3)CCCC2)cc1 ZINC000020601245 524229354 /nfs/dbraw/zinc/22/93/54/524229354.db2.gz GPXYCFQNEZDPGQ-UHFFFAOYSA-N 1 2 367.518 4.932 50 0 FJAALO Cc1ccc(C2(c3noc(C[N@@H+](C)Cc4cccs4)n3)CCCC2)cc1 ZINC000020601245 524229360 /nfs/dbraw/zinc/22/93/60/524229360.db2.gz GPXYCFQNEZDPGQ-UHFFFAOYSA-N 1 2 367.518 4.932 50 0 FJAALO O=C(c1ccc2sccc2c1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082097037 526741801 /nfs/dbraw/zinc/74/18/01/526741801.db2.gz AINBFXWZIQGBRS-UHFFFAOYSA-N 1 2 365.502 4.528 50 0 FJAALO c1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cnc(C4CCCCC4)nc3)nc2c1 ZINC000215604207 568079458 /nfs/dbraw/zinc/07/94/58/568079458.db2.gz HCKSXGVQQVYNJD-HXUWFJFHSA-N 1 2 361.493 4.738 50 0 FJAALO c1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cnc(C4CCCCC4)nc3)nc2c1 ZINC000215604207 568079459 /nfs/dbraw/zinc/07/94/59/568079459.db2.gz HCKSXGVQQVYNJD-HXUWFJFHSA-N 1 2 361.493 4.738 50 0 FJAALO Clc1cccc2ccc(C[NH+](Cc3cccnc3)Cc3cccnc3)nc12 ZINC000223062533 568603806 /nfs/dbraw/zinc/60/38/06/568603806.db2.gz PLFFCHDYVMKGSP-UHFFFAOYSA-N 1 2 374.875 4.881 50 0 FJAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2cc(Cl)ccc2C)CC1 ZINC000091754756 570437853 /nfs/dbraw/zinc/43/78/53/570437853.db2.gz MYWUMLRRUGBDFK-UHFFFAOYSA-N 1 2 359.901 4.665 50 0 FJAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000095381851 570458808 /nfs/dbraw/zinc/45/88/08/570458808.db2.gz JOQLCZUFKFSUMW-CQSZACIVSA-N 1 2 370.884 4.619 50 0 FJAALO Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)c(C)c1 ZINC000095381475 570458858 /nfs/dbraw/zinc/45/88/58/570458858.db2.gz GRRUPTKIKHORFZ-LJQANCHMSA-N 1 2 366.509 4.712 50 0 FJAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000095531085 570470047 /nfs/dbraw/zinc/47/00/47/570470047.db2.gz NZWPADNHNZXORO-INIZCTEOSA-N 1 2 371.912 4.555 50 0 FJAALO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000113397662 570544486 /nfs/dbraw/zinc/54/44/86/570544486.db2.gz COVGXHAEPSATTR-UHFFFAOYSA-N 1 2 364.276 4.947 50 0 FJAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3cccnc3Cl)ccc2[nH+]1 ZINC000003894401 570570597 /nfs/dbraw/zinc/57/05/97/570570597.db2.gz CMBZYYRPERWWAB-UHFFFAOYSA-N 1 2 368.868 4.690 50 0 FJAALO C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011720562 570592634 /nfs/dbraw/zinc/59/26/34/570592634.db2.gz SORXNPAFAOYAEW-MRXNPFEDSA-N 1 2 372.459 4.637 50 0 FJAALO CC(C)(C)c1cc(-n2cc[nH+]c2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000005208980 570622234 /nfs/dbraw/zinc/62/22/34/570622234.db2.gz HLMIJACSQWNLMQ-UHFFFAOYSA-N 1 2 351.841 4.533 50 0 FJAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc(-c2cccc(F)c2)oc1C)C(C)C ZINC000011816379 570707577 /nfs/dbraw/zinc/70/75/77/570707577.db2.gz HLZGZQTZULSVLB-UHFFFAOYSA-N 1 2 370.472 4.550 50 0 FJAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc(-c2cccc(F)c2)oc1C)C(C)C ZINC000011816379 570707578 /nfs/dbraw/zinc/70/75/78/570707578.db2.gz HLZGZQTZULSVLB-UHFFFAOYSA-N 1 2 370.472 4.550 50 0 FJAALO Fc1ccc([C@@H]2CCCC[N@@H+]2Cc2nc(CCc3ccccc3)no2)cc1 ZINC000012075595 570716980 /nfs/dbraw/zinc/71/69/80/570716980.db2.gz UPFKSYLNJVYZGJ-FQEVSTJZSA-N 1 2 365.452 4.721 50 0 FJAALO Fc1ccc([C@@H]2CCCC[N@H+]2Cc2nc(CCc3ccccc3)no2)cc1 ZINC000012075595 570716982 /nfs/dbraw/zinc/71/69/82/570716982.db2.gz UPFKSYLNJVYZGJ-FQEVSTJZSA-N 1 2 365.452 4.721 50 0 FJAALO Cc1ccccc1-c1nn(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(=S)n1C ZINC000012800197 570763562 /nfs/dbraw/zinc/76/35/62/570763562.db2.gz GPKYNPRJQFGBEG-LJQANCHMSA-N 1 2 364.518 4.721 50 0 FJAALO Cc1ccccc1-c1nn(C[N@H+]2CCC[C@@H]2c2ccccc2)c(=S)n1C ZINC000012800197 570763565 /nfs/dbraw/zinc/76/35/65/570763565.db2.gz GPKYNPRJQFGBEG-LJQANCHMSA-N 1 2 364.518 4.721 50 0 FJAALO CCn1c(=S)n(C[N@H+](C)Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000013071329 570773339 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FJAALO COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c1 ZINC000021720072 570933285 /nfs/dbraw/zinc/93/32/85/570933285.db2.gz CMEMMFYHTNHCMH-IBGZPJMESA-N 1 2 366.465 4.534 50 0 FJAALO Cc1c2cccc(F)c2oc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289773 570942812 /nfs/dbraw/zinc/94/28/12/570942812.db2.gz NWAALKHBZROPRN-UHFFFAOYSA-N 1 2 373.453 4.575 50 0 FJAALO C[N@H+](Cc1cnc(Nc2ccccc2)s1)Cc1nc2ccccc2o1 ZINC000023367727 570962074 /nfs/dbraw/zinc/96/20/74/570962074.db2.gz NHRQKHMTHBSOIV-UHFFFAOYSA-N 1 2 350.447 4.660 50 0 FJAALO C[N@@H+](Cc1cnc(Nc2ccccc2)s1)Cc1nc2ccccc2o1 ZINC000023367727 570962078 /nfs/dbraw/zinc/96/20/78/570962078.db2.gz NHRQKHMTHBSOIV-UHFFFAOYSA-N 1 2 350.447 4.660 50 0 FJAALO COc1ccc(C[NH2+][C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000023909167 570968948 /nfs/dbraw/zinc/96/89/48/570968948.db2.gz FSEOBARBLMICGZ-HSZRJFAPSA-N 1 2 370.452 4.890 50 0 FJAALO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000025361056 570995034 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CCSCCN(C(=O)c1ccccc1-c1[nH]cc[nH+]1)C1CCCCC1 ZINC000097272363 222171413 /nfs/dbraw/zinc/17/14/13/222171413.db2.gz VRCCZIQEVBIBAD-UHFFFAOYSA-N 1 2 357.523 4.605 50 0 FJAALO Cc1ccc(Nc2nnc(SCc3cn4ccccc4[nH+]3)s2)cc1C ZINC000005624012 263342587 /nfs/dbraw/zinc/34/25/87/263342587.db2.gz BNFCSAVUIHFUKQ-UHFFFAOYSA-N 1 2 367.503 4.839 50 0 FJAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cs1 ZINC000011956636 263368806 /nfs/dbraw/zinc/36/88/06/263368806.db2.gz VBTRCPADIDDPCZ-INIZCTEOSA-N 1 2 361.894 4.699 50 0 FJAALO CC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cs1 ZINC000011956636 263368811 /nfs/dbraw/zinc/36/88/11/263368811.db2.gz VBTRCPADIDDPCZ-INIZCTEOSA-N 1 2 361.894 4.699 50 0 FJAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000012506779 263370440 /nfs/dbraw/zinc/37/04/40/263370440.db2.gz ONFMZORZGQATED-MRXNPFEDSA-N 1 2 365.820 4.523 50 0 FJAALO COc1c(C)c[nH+]c(CSc2nnc(NC3CCCCC3)s2)c1C ZINC000078708649 521814874 /nfs/dbraw/zinc/81/48/74/521814874.db2.gz 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/nfs/dbraw/zinc/24/86/94/571248694.db2.gz QXEPXFUDHRKCFA-JOCHJYFZSA-N 1 2 368.427 4.770 50 0 FJAALO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000006836079 571249631 /nfs/dbraw/zinc/24/96/31/571249631.db2.gz MDPYNMNVUYYRJQ-UHFFFAOYSA-N 1 2 365.304 4.935 50 0 FJAALO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000006836079 571249632 /nfs/dbraw/zinc/24/96/32/571249632.db2.gz MDPYNMNVUYYRJQ-UHFFFAOYSA-N 1 2 365.304 4.935 50 0 FJAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000006882078 571252961 /nfs/dbraw/zinc/25/29/61/571252961.db2.gz XOXGLPUKKFKPFG-UHFFFAOYSA-N 1 2 361.272 4.721 50 0 FJAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000006882078 571252963 /nfs/dbraw/zinc/25/29/63/571252963.db2.gz XOXGLPUKKFKPFG-UHFFFAOYSA-N 1 2 361.272 4.721 50 0 FJAALO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Sc2ccccc2)o1 ZINC000007975823 571256497 /nfs/dbraw/zinc/25/64/97/571256497.db2.gz UVAIJTVSUAJHHW-UHFFFAOYSA-N 1 2 366.486 4.810 50 0 FJAALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Sc2ccccc2)o1 ZINC000007975823 571256499 /nfs/dbraw/zinc/25/64/99/571256499.db2.gz UVAIJTVSUAJHHW-UHFFFAOYSA-N 1 2 366.486 4.810 50 0 FJAALO c1csc([C@H]2c3ccsc3CC[N@H+]2Cc2cn3ccccc3n2)c1 ZINC000007000673 571256728 /nfs/dbraw/zinc/25/67/28/571256728.db2.gz CABSHKJDZYPSQA-LJQANCHMSA-N 1 2 351.500 4.605 50 0 FJAALO c1csc([C@H]2c3ccsc3CC[N@@H+]2Cc2cn3ccccc3n2)c1 ZINC000007000673 571256729 /nfs/dbraw/zinc/25/67/29/571256729.db2.gz CABSHKJDZYPSQA-LJQANCHMSA-N 1 2 351.500 4.605 50 0 FJAALO C[C@@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000037285224 571267717 /nfs/dbraw/zinc/26/77/17/571267717.db2.gz IHWFUFUKJJQIAK-LJQANCHMSA-N 1 2 372.468 4.716 50 0 FJAALO C[C@@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000037285224 571267718 /nfs/dbraw/zinc/26/77/18/571267718.db2.gz IHWFUFUKJJQIAK-LJQANCHMSA-N 1 2 372.468 4.716 50 0 FJAALO Cc1ccc(C)c(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)c1 ZINC000002447402 571322475 /nfs/dbraw/zinc/32/24/75/571322475.db2.gz CVESWFKAEWOCHU-UHFFFAOYSA-N 1 2 360.486 4.784 50 0 FJAALO Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1C ZINC000079110541 571327075 /nfs/dbraw/zinc/32/70/75/571327075.db2.gz VPBZYFHOLLYAKS-NHCUHLMSSA-N 1 2 360.461 4.550 50 0 FJAALO Fc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2Cl)C3)cc1 ZINC000021639779 571335296 /nfs/dbraw/zinc/33/52/96/571335296.db2.gz UEQVJJABGZHZFJ-UHFFFAOYSA-N 1 2 368.843 4.571 50 0 FJAALO Fc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccccc2Cl)C3)cc1 ZINC000021639779 571335297 /nfs/dbraw/zinc/33/52/97/571335297.db2.gz UEQVJJABGZHZFJ-UHFFFAOYSA-N 1 2 368.843 4.571 50 0 FJAALO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000057463303 571343512 /nfs/dbraw/zinc/34/35/12/571343512.db2.gz HGJMMXNGQBDRAV-KPZWWZAWSA-N 1 2 363.288 4.664 50 0 FJAALO Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccn2)c2ccccc2)cc1Cl ZINC000003349886 571348043 /nfs/dbraw/zinc/34/80/43/571348043.db2.gz OJPAKRKMVSUAAG-FQEVSTJZSA-N 1 2 365.864 4.513 50 0 FJAALO Cc1cc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)cc(C)c1Cl ZINC000031903629 571354383 /nfs/dbraw/zinc/35/43/83/571354383.db2.gz DLQYSXIZAAOIAM-MRXNPFEDSA-N 1 2 370.880 4.624 50 0 FJAALO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(F)cc3)cs2)cc1OC ZINC000008120356 571359051 /nfs/dbraw/zinc/35/90/51/571359051.db2.gz WDVRVBSZGOTXHL-UHFFFAOYSA-N 1 2 372.465 4.598 50 0 FJAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(F)cc3)cs2)cc1OC ZINC000008120356 571359052 /nfs/dbraw/zinc/35/90/52/571359052.db2.gz WDVRVBSZGOTXHL-UHFFFAOYSA-N 1 2 372.465 4.598 50 0 FJAALO CCc1ccc(Nc2[nH+]cnc3c2cnn3Cc2ccc(Cl)cc2)cc1 ZINC000000702817 219314258 /nfs/dbraw/zinc/31/42/58/219314258.db2.gz TZJWJROROXNMGK-UHFFFAOYSA-N 1 2 363.852 4.834 50 0 FJAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc2ccccc21 ZINC000000857463 219331865 /nfs/dbraw/zinc/33/18/65/219331865.db2.gz XVZXIEPDUSRTHB-SFHVURJKSA-N 1 2 360.457 4.582 50 0 FJAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(OCC)cc1 ZINC000000948633 219345520 /nfs/dbraw/zinc/34/55/20/219345520.db2.gz RFTBWJCHQRCPMU-UHFFFAOYSA-N 1 2 366.417 4.562 50 0 FJAALO S=C(NNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccc(Cl)cc1 ZINC000012531058 220003344 /nfs/dbraw/zinc/00/33/44/220003344.db2.gz WNMQTTBNNOIKQB-UHFFFAOYSA-N 1 2 363.273 4.855 50 0 FJAALO Cc1cccn2cc(COC(=O)c3ccc(Oc4ccccc4)cc3)[nH+]c12 ZINC000012525124 220003454 /nfs/dbraw/zinc/00/34/54/220003454.db2.gz OUKPRNQIWGURHW-UHFFFAOYSA-N 1 2 358.397 4.792 50 0 FJAALO Cc1ccc2[nH+]c(CSc3nnc(-c4cccc(Cl)c4)o3)cn2c1 ZINC000012531943 220003918 /nfs/dbraw/zinc/00/39/18/220003918.db2.gz SZFTVCHUOUVSFD-UHFFFAOYSA-N 1 2 356.838 4.638 50 0 FJAALO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000012718842 220020890 /nfs/dbraw/zinc/02/08/90/220020890.db2.gz UXDUUPNHNQGKAY-SFHVURJKSA-N 1 2 364.420 4.576 50 0 FJAALO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000012718842 220020896 /nfs/dbraw/zinc/02/08/96/220020896.db2.gz UXDUUPNHNQGKAY-SFHVURJKSA-N 1 2 364.420 4.576 50 0 FJAALO O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097179434 209174125 /nfs/dbraw/zinc/17/41/25/209174125.db2.gz BGSMYEGOQCBOQN-UHFFFAOYSA-N 1 2 351.837 4.539 50 0 FJAALO CCCCc1noc(C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)n1 ZINC000012777650 220028555 /nfs/dbraw/zinc/02/85/55/220028555.db2.gz JMJMSMZPYMTJNI-HXUWFJFHSA-N 1 2 353.491 4.621 50 0 FJAALO CCCCc1noc(C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)n1 ZINC000012777650 220028557 /nfs/dbraw/zinc/02/85/57/220028557.db2.gz JMJMSMZPYMTJNI-HXUWFJFHSA-N 1 2 353.491 4.621 50 0 FJAALO Cc1ccc2nc(C[NH2+][C@@H](c3cccs3)c3ccc(F)cc3)cn2c1 ZINC000012750008 220025106 /nfs/dbraw/zinc/02/51/06/220025106.db2.gz JTKZNZWOOMFVPT-HXUWFJFHSA-N 1 2 351.450 4.723 50 0 FJAALO c1csc(-c2noc(C[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)n2)c1 ZINC000012999033 220051067 /nfs/dbraw/zinc/05/10/67/220051067.db2.gz APADJFSCXZXOOG-UHFFFAOYSA-N 1 2 362.458 4.569 50 0 FJAALO c1csc(-c2noc(C[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)n2)c1 ZINC000012999033 220051069 /nfs/dbraw/zinc/05/10/69/220051069.db2.gz APADJFSCXZXOOG-UHFFFAOYSA-N 1 2 362.458 4.569 50 0 FJAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(C(C)C)cc1 ZINC000013228368 220061984 /nfs/dbraw/zinc/06/19/84/220061984.db2.gz RLOYDMKSWKNDNB-SFHVURJKSA-N 1 2 352.478 4.552 50 0 FJAALO Fc1ccc(-c2noc(C[NH2+][C@H](c3cccs3)c3ccccc3)n2)cc1 ZINC000014164132 220112155 /nfs/dbraw/zinc/11/21/55/220112155.db2.gz JXETVRCIDFIOCU-IBGZPJMESA-N 1 2 365.433 4.816 50 0 FJAALO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1-c1ccccc1 ZINC000014187114 220114577 /nfs/dbraw/zinc/11/45/77/220114577.db2.gz XFADAXAJQOINSR-MRXNPFEDSA-N 1 2 362.395 4.566 50 0 FJAALO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1-c1ccccc1 ZINC000014187114 220114583 /nfs/dbraw/zinc/11/45/83/220114583.db2.gz XFADAXAJQOINSR-MRXNPFEDSA-N 1 2 362.395 4.566 50 0 FJAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc2ccccc2c1 ZINC000014241480 220120347 /nfs/dbraw/zinc/12/03/47/220120347.db2.gz GWQIYTFKNWBJKM-UHFFFAOYSA-N 1 2 351.475 4.535 50 0 FJAALO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C(C)C)cc3)n2)cc1 ZINC000015299613 220151620 /nfs/dbraw/zinc/15/16/20/220151620.db2.gz KEXDDDZMXMIAPT-UHFFFAOYSA-N 1 2 351.450 4.501 50 0 FJAALO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C(C)C)cc3)n2)cc1 ZINC000015299613 220151625 /nfs/dbraw/zinc/15/16/25/220151625.db2.gz KEXDDDZMXMIAPT-UHFFFAOYSA-N 1 2 351.450 4.501 50 0 FJAALO O=C(CCc1ccccc1)Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1 ZINC000015863734 220169743 /nfs/dbraw/zinc/16/97/43/220169743.db2.gz KDXRAMUQVCFRFI-UHFFFAOYSA-N 1 2 369.468 4.919 50 0 FJAALO Cn1c(CCc2ccccc2)[nH+]c2cc(NC(=O)c3ccccc3)ccc21 ZINC000015863838 220170238 /nfs/dbraw/zinc/17/02/38/220170238.db2.gz CLKIRIWBXRYMSO-UHFFFAOYSA-N 1 2 355.441 4.611 50 0 FJAALO C[N@@H+]1CCc2nc3sc4c(ncnc4Cl)c3c(-c3ccccc3)c2C1 ZINC000017155239 220207474 /nfs/dbraw/zinc/20/74/74/220207474.db2.gz XHDBMJVXBVFYEQ-UHFFFAOYSA-N 1 2 366.877 4.548 50 0 FJAALO C[N@H+]1CCc2nc3sc4c(ncnc4Cl)c3c(-c3ccccc3)c2C1 ZINC000017155239 220207475 /nfs/dbraw/zinc/20/74/75/220207475.db2.gz XHDBMJVXBVFYEQ-UHFFFAOYSA-N 1 2 366.877 4.548 50 0 FJAALO Cc1ccc2c(CC(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)coc2c1C ZINC000018047677 220221573 /nfs/dbraw/zinc/22/15/73/220221573.db2.gz UHOXGUGUPFYIII-KRWDZBQOSA-N 1 2 373.456 4.655 50 0 FJAALO CCc1cccc(CC)c1NC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000018939139 220234064 /nfs/dbraw/zinc/23/40/64/220234064.db2.gz PEVYNKMOUPUPHD-UHFFFAOYSA-N 1 2 350.915 4.597 50 0 FJAALO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018939139 220234069 /nfs/dbraw/zinc/23/40/69/220234069.db2.gz PEVYNKMOUPUPHD-UHFFFAOYSA-N 1 2 350.915 4.597 50 0 FJAALO c1c(-c2ccc3c(c2)OCO3)[nH+]c2n1c1ccccc1n2Cc1ccccc1 ZINC000005453699 207101143 /nfs/dbraw/zinc/10/11/43/207101143.db2.gz DIJYAFKKXVTDAL-UHFFFAOYSA-N 1 2 367.408 4.733 50 0 FJAALO Cc1ccc(-c2nnc(SCc3cn4cc(Cl)ccc4[nH+]3)o2)cc1 ZINC000005862693 207120278 /nfs/dbraw/zinc/12/02/78/207120278.db2.gz XHEPGWBKVJFELJ-UHFFFAOYSA-N 1 2 356.838 4.638 50 0 FJAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccccc1F ZINC000006602815 207149404 /nfs/dbraw/zinc/14/94/04/207149404.db2.gz VALJWFLKXSNJPF-KRWDZBQOSA-N 1 2 362.448 4.952 50 0 FJAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccccc1F ZINC000006602815 207149408 /nfs/dbraw/zinc/14/94/08/207149408.db2.gz VALJWFLKXSNJPF-KRWDZBQOSA-N 1 2 362.448 4.952 50 0 FJAALO Cc1ccc2[nH+]c(COc3ncnc4scc(-c5ccccc5)c43)cn2c1 ZINC000006507808 207144169 /nfs/dbraw/zinc/14/41/69/207144169.db2.gz SMTQFDWIWLIALA-UHFFFAOYSA-N 1 2 372.453 4.893 50 0 FJAALO CCCCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc2ncccc21 ZINC000006657696 207151187 /nfs/dbraw/zinc/15/11/87/207151187.db2.gz CXPAKAUBHJZDNC-UHFFFAOYSA-N 1 2 358.445 4.566 50 0 FJAALO C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006657713 207151911 /nfs/dbraw/zinc/15/19/11/207151911.db2.gz LRTGSORHGHZERG-GOSISDBHSA-N 1 2 359.473 4.562 50 0 FJAALO Cc1cc(C)c(Cn2cc[nH+]c2CN(C(=O)CC(C)C)C(C)C)c(C)c1 ZINC000006724024 207157418 /nfs/dbraw/zinc/15/74/18/207157418.db2.gz MUCMMBSYRZVHEM-UHFFFAOYSA-N 1 2 355.526 4.640 50 0 FJAALO C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000006986210 207181131 /nfs/dbraw/zinc/18/11/31/207181131.db2.gz UHLNNYSMBJWCES-UHFFFAOYSA-N 1 2 368.481 4.645 50 0 FJAALO C[N@H+](Cc1ccccc1)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000006986210 207181133 /nfs/dbraw/zinc/18/11/33/207181133.db2.gz UHLNNYSMBJWCES-UHFFFAOYSA-N 1 2 368.481 4.645 50 0 FJAALO S=c1n(C[NH+]2CCC(Cc3ccccc3)CC2)nc(C2CC2)n1C1CC1 ZINC000008061954 207218735 /nfs/dbraw/zinc/21/87/35/207218735.db2.gz BRNMCRDUQLTQQP-UHFFFAOYSA-N 1 2 368.550 4.539 50 0 FJAALO CSc1ccc(-c2noc(CCCCc3[nH]c4ccccc4[nH+]3)n2)cc1 ZINC000008992717 207254162 /nfs/dbraw/zinc/25/41/62/207254162.db2.gz MTCIZRGWAFPRTA-UHFFFAOYSA-N 1 2 364.474 4.900 50 0 FJAALO C[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccccc1N1CCCC1 ZINC000012524971 207385331 /nfs/dbraw/zinc/38/53/31/207385331.db2.gz GMUAETHGRRZFAZ-UHFFFAOYSA-N 1 2 373.500 4.511 50 0 FJAALO C[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccccc1N1CCCC1 ZINC000012524971 207385339 /nfs/dbraw/zinc/38/53/39/207385339.db2.gz GMUAETHGRRZFAZ-UHFFFAOYSA-N 1 2 373.500 4.511 50 0 FJAALO Cn1ccnc1[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000030643617 208004411 /nfs/dbraw/zinc/00/44/11/208004411.db2.gz ARWIKBUPISJSMJ-OAQYLSRUSA-N 1 2 361.420 4.698 50 0 FJAALO FC(F)(F)c1ccc(C[N@H+](Cc2nc(-c3ccccc3)no2)C2CC2)cc1 ZINC000032777455 208040630 /nfs/dbraw/zinc/04/06/30/208040630.db2.gz UMHXESXMAAITPV-UHFFFAOYSA-N 1 2 373.378 4.920 50 0 FJAALO FC(F)(F)c1ccc(C[N@@H+](Cc2nc(-c3ccccc3)no2)C2CC2)cc1 ZINC000032777455 208040636 /nfs/dbraw/zinc/04/06/36/208040636.db2.gz UMHXESXMAAITPV-UHFFFAOYSA-N 1 2 373.378 4.920 50 0 FJAALO Cn1c(CCc2cccc(NC(=O)c3ccccc3)c2)[nH+]c2ccccc21 ZINC000033019707 208067772 /nfs/dbraw/zinc/06/77/72/208067772.db2.gz SGPTVCMNKYZVLJ-UHFFFAOYSA-N 1 2 355.441 4.611 50 0 FJAALO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2F)c1 ZINC000036348201 208155833 /nfs/dbraw/zinc/15/58/33/208155833.db2.gz JZDILPBJXWRYHU-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2F)c1 ZINC000036348201 208155839 /nfs/dbraw/zinc/15/58/39/208155839.db2.gz JZDILPBJXWRYHU-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO CS[C@@H](C)Cc1c(-c2ccccc2)[nH+]cn1Cc1ccc2c(c1)OCO2 ZINC000065454527 208680956 /nfs/dbraw/zinc/68/09/56/208680956.db2.gz HFAYLGFCJAWVRY-HNNXBMFYSA-N 1 2 366.486 4.621 50 0 FJAALO Fc1ccc([C@@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCO2)cc1 ZINC000048236052 221001988 /nfs/dbraw/zinc/00/19/88/221001988.db2.gz PSBGVJIOIFFIOM-FQEVSTJZSA-N 1 2 372.827 4.708 50 0 FJAALO Fc1ccc([C@@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCO2)cc1 ZINC000048236052 221001991 /nfs/dbraw/zinc/00/19/91/221001991.db2.gz PSBGVJIOIFFIOM-FQEVSTJZSA-N 1 2 372.827 4.708 50 0 FJAALO Cc1ccsc1C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccn1 ZINC000055120026 221059792 /nfs/dbraw/zinc/05/97/92/221059792.db2.gz RZUZWBFMFZQUAN-UHFFFAOYSA-N 1 2 354.523 4.675 50 0 FJAALO Cc1ccsc1C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccn1 ZINC000055120026 221059795 /nfs/dbraw/zinc/05/97/95/221059795.db2.gz RZUZWBFMFZQUAN-UHFFFAOYSA-N 1 2 354.523 4.675 50 0 FJAALO Cc1ccsc1CN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000055282701 221063909 /nfs/dbraw/zinc/06/39/09/221063909.db2.gz AOCWAPVFIINJDW-UHFFFAOYSA-N 1 2 353.491 4.541 50 0 FJAALO C[C@@H](c1cccs1)[N@@H+](C)Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000054447500 221053336 /nfs/dbraw/zinc/05/33/36/221053336.db2.gz FTNDAGQIEVLRBK-GJZGRUSLSA-N 1 2 358.536 4.735 50 0 FJAALO C[C@@H](c1cccs1)[N@H+](C)Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000054447500 221053338 /nfs/dbraw/zinc/05/33/38/221053338.db2.gz FTNDAGQIEVLRBK-GJZGRUSLSA-N 1 2 358.536 4.735 50 0 FJAALO CCOc1ccc(C[N@H+](Cc2c(Cl)nc3sccn23)C2CC2)cc1 ZINC000055401211 221068194 /nfs/dbraw/zinc/06/81/94/221068194.db2.gz IZLHBFHWBLQFFN-UHFFFAOYSA-N 1 2 361.898 4.613 50 0 FJAALO CCOc1ccc(C[N@@H+](Cc2c(Cl)nc3sccn23)C2CC2)cc1 ZINC000055401211 221068196 /nfs/dbraw/zinc/06/81/96/221068196.db2.gz IZLHBFHWBLQFFN-UHFFFAOYSA-N 1 2 361.898 4.613 50 0 FJAALO Cc1ccc(C)c(NC(=S)N2CCC[N@H+](Cc3cccc(Cl)c3)C2)c1 ZINC000058096562 221098031 /nfs/dbraw/zinc/09/80/31/221098031.db2.gz RZWSMMAVAOLWMI-UHFFFAOYSA-N 1 2 373.953 4.819 50 0 FJAALO Cc1ccc(C)c(NC(=S)N2CCC[N@@H+](Cc3cccc(Cl)c3)C2)c1 ZINC000058096562 221098034 /nfs/dbraw/zinc/09/80/34/221098034.db2.gz RZWSMMAVAOLWMI-UHFFFAOYSA-N 1 2 373.953 4.819 50 0 FJAALO Cc1cc(C)c(NC(=S)N2CCC[N@H+](Cc3ccccc3F)C2)c(C)c1 ZINC000058096246 221098219 /nfs/dbraw/zinc/09/82/19/221098219.db2.gz DPZMQLWJTBJBKG-UHFFFAOYSA-N 1 2 371.525 4.613 50 0 FJAALO Cc1cc(C)c(NC(=S)N2CCC[N@@H+](Cc3ccccc3F)C2)c(C)c1 ZINC000058096246 221098222 /nfs/dbraw/zinc/09/82/22/221098222.db2.gz DPZMQLWJTBJBKG-UHFFFAOYSA-N 1 2 371.525 4.613 50 0 FJAALO Cc1cn2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc2[nH+]1 ZINC000058406500 221117553 /nfs/dbraw/zinc/11/75/53/221117553.db2.gz SFUWTIUHHLVZGA-UHFFFAOYSA-N 1 2 355.441 4.803 50 0 FJAALO CCCCc1[nH]cc(-c2c(-c3ccccc3)ncn2Cc2ccncc2)[nH+]1 ZINC000065404847 221214098 /nfs/dbraw/zinc/21/40/98/221214098.db2.gz QCQJUKCLGZPGIF-UHFFFAOYSA-N 1 2 357.461 4.726 50 0 FJAALO C[C@@H](CCCC(C)(C)O)n1c[nH+]c(-c2ccccc2)c1C1CCOCC1 ZINC000065409612 221215490 /nfs/dbraw/zinc/21/54/90/221215490.db2.gz RWFCUEZYCXCMOB-KRWDZBQOSA-N 1 2 356.510 4.946 50 0 FJAALO COc1ccccc1CCn1c[nH+]c(-c2ccccc2)c1C1CCOCC1 ZINC000065461302 221221761 /nfs/dbraw/zinc/22/17/61/221221761.db2.gz MAAKDGGVCFQUDF-UHFFFAOYSA-N 1 2 362.473 4.695 50 0 FJAALO Cc1ccc([C@H](C)Cc2c(-c3ccccc3)[nH+]cn2Cc2ccncn2)o1 ZINC000065462954 221223399 /nfs/dbraw/zinc/22/33/99/221223399.db2.gz IWFDCTXZDWKPNW-MRXNPFEDSA-N 1 2 358.445 4.636 50 0 FJAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC[C@H](CCc2ccccc2)C1 ZINC000071756912 221365399 /nfs/dbraw/zinc/36/53/99/221365399.db2.gz TZKYSKNPOBSRJF-LJQANCHMSA-N 1 2 359.473 4.562 50 0 FJAALO Clc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000094668493 132206318 /nfs/dbraw/zinc/20/63/18/132206318.db2.gz NTMLDPBNMBQYGL-UHFFFAOYSA-N 1 2 366.690 4.578 50 0 FJAALO Clc1cccc(N2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000055543917 136126939 /nfs/dbraw/zinc/12/69/39/136126939.db2.gz IUDQKWIIMLZORY-UHFFFAOYSA-N 1 2 355.696 4.969 50 0 FJAALO O=C(N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000012506777 263370938 /nfs/dbraw/zinc/37/09/38/263370938.db2.gz ONFMZORZGQATED-INIZCTEOSA-N 1 2 365.820 4.523 50 0 FJAALO CCc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)[nH+]c1-c1ccc(Cl)cc1 ZINC000020166540 263379257 /nfs/dbraw/zinc/37/92/57/263379257.db2.gz POSVHCKGVFJZCN-CQSZACIVSA-N 1 2 357.885 4.551 50 0 FJAALO Fc1ccc([C@H]([NH2+]Cc2cccs2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988647 526365846 /nfs/dbraw/zinc/36/58/46/526365846.db2.gz CKCYUZKNAMOKSB-SFHVURJKSA-N 1 2 365.433 4.816 50 0 FJAALO COc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc([C@H]2CCCO2)s1)CC3 ZINC000216528413 568127181 /nfs/dbraw/zinc/12/71/81/568127181.db2.gz GCLKGFHTSPVVSZ-HXUWFJFHSA-N 1 2 368.502 4.648 50 0 FJAALO COc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc([C@H]2CCCO2)s1)CC3 ZINC000216528413 568127182 /nfs/dbraw/zinc/12/71/82/568127182.db2.gz GCLKGFHTSPVVSZ-HXUWFJFHSA-N 1 2 368.502 4.648 50 0 FJAALO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000113397801 570544300 /nfs/dbraw/zinc/54/43/00/570544300.db2.gz URBMHWWLJFTNPC-UHFFFAOYSA-N 1 2 364.276 4.948 50 0 FJAALO Cc1cccn2cc(CSc3nnc(-c4ccc(C)c(C)c4)o3)[nH+]c12 ZINC000005312674 570678165 /nfs/dbraw/zinc/67/81/65/570678165.db2.gz RYJXBBLBRLCICT-UHFFFAOYSA-N 1 2 350.447 4.602 50 0 FJAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NC1CCCCCC1 ZINC000004354821 570754160 /nfs/dbraw/zinc/75/41/60/570754160.db2.gz MQKLZZAVHXCXJO-UHFFFAOYSA-N 1 2 355.873 4.912 50 0 FJAALO CCCC[N@H+](Cc1nc(Cc2ccccc2F)no1)Cc1ccccc1 ZINC000012835690 570765182 /nfs/dbraw/zinc/76/51/82/570765182.db2.gz BLWQYKKYTAPBKA-UHFFFAOYSA-N 1 2 353.441 4.602 50 0 FJAALO CCCC[N@@H+](Cc1nc(Cc2ccccc2F)no1)Cc1ccccc1 ZINC000012835690 570765185 /nfs/dbraw/zinc/76/51/85/570765185.db2.gz BLWQYKKYTAPBKA-UHFFFAOYSA-N 1 2 353.441 4.602 50 0 FJAALO Cc1cccn2cc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)[nH+]c12 ZINC000004370822 570765452 /nfs/dbraw/zinc/76/54/52/570765452.db2.gz XUXDHGAZUZLAIV-NTEUORMPSA-N 1 2 353.425 4.962 50 0 FJAALO Cc1c(Cl)c(C[N@H+](C)Cc2ccc3c(c2)OCO3)nc2ccccc12 ZINC000014124638 570806928 /nfs/dbraw/zinc/80/69/28/570806928.db2.gz ZHKUDTXLMRMEBD-UHFFFAOYSA-N 1 2 354.837 4.557 50 0 FJAALO Cc1c(Cl)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)nc2ccccc12 ZINC000014124638 570806932 /nfs/dbraw/zinc/80/69/32/570806932.db2.gz ZHKUDTXLMRMEBD-UHFFFAOYSA-N 1 2 354.837 4.557 50 0 FJAALO Cc1ccc(-c2noc(C[N@@H+]([C@@H](C)c3ccccc3F)C3CC3)n2)cc1 ZINC000108224131 570904102 /nfs/dbraw/zinc/90/41/02/570904102.db2.gz HAMVPTLBELWFNU-HNNXBMFYSA-N 1 2 351.425 4.910 50 0 FJAALO Cc1ccc(-c2noc(C[N@H+]([C@@H](C)c3ccccc3F)C3CC3)n2)cc1 ZINC000108224131 570904104 /nfs/dbraw/zinc/90/41/04/570904104.db2.gz HAMVPTLBELWFNU-HNNXBMFYSA-N 1 2 351.425 4.910 50 0 FJAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH+]1CCSCC1 ZINC000020999701 570927748 /nfs/dbraw/zinc/92/77/48/570927748.db2.gz ZIQSQEZGDDFNRB-UHFFFAOYSA-N 1 2 350.487 4.866 50 0 FJAALO Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000048277900 570942321 /nfs/dbraw/zinc/94/23/21/570942321.db2.gz SJKFQQLRXHDAHO-NRFANRHFSA-N 1 2 360.461 4.609 50 0 FJAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1cc(C2CC2)nc2ccccc21 ZINC000025173808 570991743 /nfs/dbraw/zinc/99/17/43/570991743.db2.gz KLSCYTMGEVCDDN-UHFFFAOYSA-N 1 2 368.440 4.609 50 0 FJAALO FC(F)(F)c1ccc(-c2noc(C[N@H+](Cc3ccccc3)C3CC3)n2)cc1 ZINC000025751132 570999689 /nfs/dbraw/zinc/99/96/89/570999689.db2.gz RMKJMBWSRHEOLF-UHFFFAOYSA-N 1 2 373.378 4.920 50 0 FJAALO FC(F)(F)c1ccc(-c2noc(C[N@@H+](Cc3ccccc3)C3CC3)n2)cc1 ZINC000025751132 570999692 /nfs/dbraw/zinc/99/96/92/570999692.db2.gz RMKJMBWSRHEOLF-UHFFFAOYSA-N 1 2 373.378 4.920 50 0 FJAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Oc1ccccc1 ZINC000030608431 571048348 /nfs/dbraw/zinc/04/83/48/571048348.db2.gz HKHGVBVZDYINCV-UHFFFAOYSA-N 1 2 355.397 4.917 50 0 FJAALO O=C(CSC1CCCC1)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671573 571048723 /nfs/dbraw/zinc/04/87/23/571048723.db2.gz OZACEPJYSHHVBT-UHFFFAOYSA-N 1 2 371.550 4.629 50 0 FJAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000030643129 571048711 /nfs/dbraw/zinc/04/87/11/571048711.db2.gz QSUCXCHOADMUSM-QHCPKHFHSA-N 1 2 353.469 4.966 50 0 FJAALO C[C@@H]1CCc2c(sc3ncnc(Oc4ccc(-n5cc[nH+]c5)cc4)c23)C1 ZINC000008652056 571053799 /nfs/dbraw/zinc/05/37/99/571053799.db2.gz IUROXKQOHLZBML-CYBMUJFWSA-N 1 2 362.458 4.794 50 0 FJAALO CSc1ccc(C[N@H+](C)Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000008707241 571056320 /nfs/dbraw/zinc/05/63/20/571056320.db2.gz UXNVEVMRAYZIFT-UHFFFAOYSA-N 1 2 359.882 4.744 50 0 FJAALO CSc1ccc(C[N@@H+](C)Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000008707241 571056321 /nfs/dbraw/zinc/05/63/21/571056321.db2.gz UXNVEVMRAYZIFT-UHFFFAOYSA-N 1 2 359.882 4.744 50 0 FJAALO Clc1ccc2[nH+]c(CNc3ccccc3OC[C@@H]3CCCCO3)cn2c1 ZINC000067959741 571061857 /nfs/dbraw/zinc/06/18/57/571061857.db2.gz WLYBYVRZDRFHIT-KRWDZBQOSA-N 1 2 371.868 4.548 50 0 FJAALO COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC2 ZINC000019608342 571070557 /nfs/dbraw/zinc/07/05/57/571070557.db2.gz XFFOCJFCOTUJID-GOSISDBHSA-N 1 2 352.261 4.588 50 0 FJAALO COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC2 ZINC000019608342 571070554 /nfs/dbraw/zinc/07/05/54/571070554.db2.gz XFFOCJFCOTUJID-GOSISDBHSA-N 1 2 352.261 4.588 50 0 FJAALO C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000072310591 571070741 /nfs/dbraw/zinc/07/07/41/571070741.db2.gz LVTLMKKSXNEDGQ-ZDUSSCGKSA-N 1 2 367.946 4.566 50 0 FJAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012763131 571082403 /nfs/dbraw/zinc/08/24/03/571082403.db2.gz DOTHPXSZDVXLPI-QFIPXVFZSA-N 1 2 362.498 4.643 50 0 FJAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012763131 571082408 /nfs/dbraw/zinc/08/24/08/571082408.db2.gz DOTHPXSZDVXLPI-QFIPXVFZSA-N 1 2 362.498 4.643 50 0 FJAALO O=C(C[N@@H+]1CCc2ccccc2C1)N1c2ccccc2Sc2ccccc21 ZINC000037065702 571082508 /nfs/dbraw/zinc/08/25/08/571082508.db2.gz PVUDUHXORQNBPJ-UHFFFAOYSA-N 1 2 372.493 4.874 50 0 FJAALO O=C(C[N@H+]1CCc2ccccc2C1)N1c2ccccc2Sc2ccccc21 ZINC000037065702 571082512 /nfs/dbraw/zinc/08/25/12/571082512.db2.gz PVUDUHXORQNBPJ-UHFFFAOYSA-N 1 2 372.493 4.874 50 0 FJAALO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CC1 ZINC000040149514 571085550 /nfs/dbraw/zinc/08/55/50/571085550.db2.gz LRQBFYXPOOVHHM-LBPRGKRZSA-N 1 2 364.823 4.782 50 0 FJAALO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CC1 ZINC000040149514 571085555 /nfs/dbraw/zinc/08/55/55/571085555.db2.gz LRQBFYXPOOVHHM-LBPRGKRZSA-N 1 2 364.823 4.782 50 0 FJAALO C[C@H](c1ccccc1Cl)[N@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CC1 ZINC000040149515 571085578 /nfs/dbraw/zinc/08/55/78/571085578.db2.gz LRQBFYXPOOVHHM-GFCCVEGCSA-N 1 2 364.823 4.782 50 0 FJAALO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CC1 ZINC000040149515 571085581 /nfs/dbraw/zinc/08/55/81/571085581.db2.gz LRQBFYXPOOVHHM-GFCCVEGCSA-N 1 2 364.823 4.782 50 0 FJAALO C[C@H](c1cccs1)[N@@H+](C)Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000229547407 571094581 /nfs/dbraw/zinc/09/45/81/571094581.db2.gz FTNDAGQIEVLRBK-LSDHHAIUSA-N 1 2 358.536 4.735 50 0 FJAALO C[C@H](c1cccs1)[N@H+](C)Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000229547407 571094583 /nfs/dbraw/zinc/09/45/83/571094583.db2.gz FTNDAGQIEVLRBK-LSDHHAIUSA-N 1 2 358.536 4.735 50 0 FJAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000033019704 571105957 /nfs/dbraw/zinc/10/59/57/571105957.db2.gz ZBVMULBUCBQPIT-UHFFFAOYSA-N 1 2 373.431 4.750 50 0 FJAALO Cn1c2ccc(NC(=O)CC3CCCC3)cc2[nH+]c1CCc1ccccc1 ZINC000033020541 571106344 /nfs/dbraw/zinc/10/63/44/571106344.db2.gz BMPVUTDGMNBRAC-UHFFFAOYSA-N 1 2 361.489 4.877 50 0 FJAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1ccco1 ZINC000072328539 571112463 /nfs/dbraw/zinc/11/24/63/571112463.db2.gz MNAOLBMXRJSFKV-UHFFFAOYSA-N 1 2 357.841 4.575 50 0 FJAALO CCC(CC)C(=O)Nc1ccc(Nc2nc(N(CC)CC)cc(C)[nH+]2)cc1 ZINC000009573381 571113557 /nfs/dbraw/zinc/11/35/57/571113557.db2.gz HQNMERCYCMNUAQ-UHFFFAOYSA-N 1 2 369.513 4.750 50 0 FJAALO CC[C@H](C)Oc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)o2)cc1Cl ZINC000055166323 571117477 /nfs/dbraw/zinc/11/74/77/571117477.db2.gz ZHQGQALBFJCFFS-AWEZNQCLSA-N 1 2 371.868 4.857 50 0 FJAALO Cc1cc(NCc2csc(-c3cnccn3)n2)[nH+]c2cc(Cl)ccc12 ZINC000055401248 571120654 /nfs/dbraw/zinc/12/06/54/571120654.db2.gz IPXQMJZIHVPGQV-UHFFFAOYSA-N 1 2 367.865 4.722 50 0 FJAALO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000015837169 571134728 /nfs/dbraw/zinc/13/47/28/571134728.db2.gz AVOIYGSAYRGZMU-KRWDZBQOSA-N 1 2 364.258 4.934 50 0 FJAALO COc1ccc(Br)cc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000015837169 571134729 /nfs/dbraw/zinc/13/47/29/571134729.db2.gz AVOIYGSAYRGZMU-KRWDZBQOSA-N 1 2 364.258 4.934 50 0 FJAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1ccc(OC)cc1 ZINC000000949025 571138804 /nfs/dbraw/zinc/13/88/04/571138804.db2.gz OCLPSIFNTXGOEY-UHFFFAOYSA-N 1 2 366.417 4.562 50 0 FJAALO CC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1CCc1nc(-c2cccnc2)no1 ZINC000065395617 571142711 /nfs/dbraw/zinc/14/27/11/571142711.db2.gz AHQAYBPFTGJWPF-MRXNPFEDSA-N 1 2 373.460 4.751 50 0 FJAALO COc1ccc2oc(C[NH2+]Cc3cnc(-c4ccccc4C)s3)nc2c1 ZINC000065526701 571144505 /nfs/dbraw/zinc/14/45/05/571144505.db2.gz BVMBEJZQOOBSBC-UHFFFAOYSA-N 1 2 365.458 4.558 50 0 FJAALO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2c(F)cccc2F)cc1 ZINC000012915479 571144813 /nfs/dbraw/zinc/14/48/13/571144813.db2.gz AGSAIAMWYUSCSO-LJQANCHMSA-N 1 2 374.431 4.529 50 0 FJAALO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2c(F)cccc2F)cc1 ZINC000012915479 571144814 /nfs/dbraw/zinc/14/48/14/571144814.db2.gz AGSAIAMWYUSCSO-LJQANCHMSA-N 1 2 374.431 4.529 50 0 FJAALO Cn1c(CCc2cccc(NC(=O)c3cccs3)c2)[nH+]c2ccccc21 ZINC000033261452 571178060 /nfs/dbraw/zinc/17/80/60/571178060.db2.gz ZFVXILOZXAJFNA-UHFFFAOYSA-N 1 2 361.470 4.672 50 0 FJAALO O=C(Nc1ccc(-c2c[nH+]c3n2CCC3)cc1)c1ccccc1C(F)(F)F ZINC000090607228 571179824 /nfs/dbraw/zinc/17/98/24/571179824.db2.gz RFUMRLZKJOLMHF-UHFFFAOYSA-N 1 2 371.362 4.767 50 0 FJAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012987322 571184714 /nfs/dbraw/zinc/18/47/14/571184714.db2.gz UTOIXNSDENGIHL-AWEZNQCLSA-N 1 2 350.466 4.699 50 0 FJAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012987322 571184718 /nfs/dbraw/zinc/18/47/18/571184718.db2.gz UTOIXNSDENGIHL-AWEZNQCLSA-N 1 2 350.466 4.699 50 0 FJAALO CCOc1ccccc1NC(=O)CCc1ccc2[nH+]c(C(C)C)[nH]c2c1 ZINC000075478752 571188895 /nfs/dbraw/zinc/18/88/95/571188895.db2.gz RPSQURBPFPGPTO-UHFFFAOYSA-N 1 2 351.450 4.656 50 0 FJAALO CCOc1ccccc1NC(=O)CCc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000075478752 571188898 /nfs/dbraw/zinc/18/88/98/571188898.db2.gz RPSQURBPFPGPTO-UHFFFAOYSA-N 1 2 351.450 4.656 50 0 FJAALO Cc1ccn2c(c1)[nH+]c(-c1cccs1)c2Nc1ccc2c(c1)OCCO2 ZINC000003911501 571189410 /nfs/dbraw/zinc/18/94/10/571189410.db2.gz ZNWIPYRKPNLPFX-UHFFFAOYSA-N 1 2 363.442 4.886 50 0 aggregator FJAALO CCC[C@@H](NC(=O)c1ccccc1Cc1ccc(C)cc1)c1[nH+]ccn1C ZINC000299774857 571196758 /nfs/dbraw/zinc/19/67/58/571196758.db2.gz JQOVXKGECYZTFT-OAQYLSRUSA-N 1 2 361.489 4.591 50 0 FJAALO C[N@H+](Cc1nc2ccc(Cl)cc2[nH]1)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072458125 571197633 /nfs/dbraw/zinc/19/76/33/571197633.db2.gz FNNQXCYLDBBIMS-UHFFFAOYSA-N 1 2 371.912 4.552 50 0 FJAALO C[N@@H+](Cc1nc2ccc(Cl)cc2[nH]1)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072458125 571197637 /nfs/dbraw/zinc/19/76/37/571197637.db2.gz FNNQXCYLDBBIMS-UHFFFAOYSA-N 1 2 371.912 4.552 50 0 FJAALO O=C1C=C(Nc2ccc(O)cc2)c2ccccc2C1=[NH+]Nc1ccccc1 ZINC000252628557 571204424 /nfs/dbraw/zinc/20/44/24/571204424.db2.gz SSUWNNOWAAHHLD-UHFFFAOYSA-N 1 2 355.397 4.785 50 0 FJAALO CCOCC1CCN(C(=O)c2ccc(-c3cc(C)c(C)c(C)[nH+]3)cc2)CC1 ZINC000534676858 571209305 /nfs/dbraw/zinc/20/93/05/571209305.db2.gz PCTXJAJGYHBEAE-UHFFFAOYSA-N 1 2 366.505 4.563 50 0 FJAALO COc1cc(C)[nH+]c2ccc(NC(=O)Nc3cccc(SC)c3)cc21 ZINC000033278718 571229787 /nfs/dbraw/zinc/22/97/87/571229787.db2.gz UAUHYVZIBUEJKG-UHFFFAOYSA-N 1 2 353.447 4.918 50 0 FJAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000091288886 571238846 /nfs/dbraw/zinc/23/88/46/571238846.db2.gz IWAXNNQNMWWARZ-UHFFFAOYSA-N 1 2 365.399 4.503 50 0 FJAALO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+]4CCCC[C@@H]4C)nc(=O)c23)c1 ZINC000036204126 571245113 /nfs/dbraw/zinc/24/51/13/571245113.db2.gz YIZLHSWCXNLJFW-HNNXBMFYSA-N 1 2 367.518 4.643 50 0 FJAALO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+]4CCCC[C@@H]4C)nc(=O)c23)c1 ZINC000036204126 571245114 /nfs/dbraw/zinc/24/51/14/571245114.db2.gz YIZLHSWCXNLJFW-HNNXBMFYSA-N 1 2 367.518 4.643 50 0 FJAALO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(F)ccc2F)cc1 ZINC000036347590 571248745 /nfs/dbraw/zinc/24/87/45/571248745.db2.gz DIUUTOJEAZAZLZ-JOCHJYFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(F)ccc2F)cc1 ZINC000036347590 571248747 /nfs/dbraw/zinc/24/87/47/571248747.db2.gz DIUUTOJEAZAZLZ-JOCHJYFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(F)ccc2F)cc1 ZINC000036347591 571248851 /nfs/dbraw/zinc/24/88/51/571248851.db2.gz DIUUTOJEAZAZLZ-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(F)ccc2F)cc1 ZINC000036347591 571248852 /nfs/dbraw/zinc/24/88/52/571248852.db2.gz DIUUTOJEAZAZLZ-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO Cc1cccc(C[N@@H+]2CCN(c3ccccc3-c3ccccc3)C(=O)[C@H]2C)c1 ZINC000037519630 571286595 /nfs/dbraw/zinc/28/65/95/571286595.db2.gz DCPABRCNSDKROZ-HXUWFJFHSA-N 1 2 370.496 4.899 50 0 FJAALO Cc1cccc(C[N@H+]2CCN(c3ccccc3-c3ccccc3)C(=O)[C@H]2C)c1 ZINC000037519630 571286596 /nfs/dbraw/zinc/28/65/96/571286596.db2.gz DCPABRCNSDKROZ-HXUWFJFHSA-N 1 2 370.496 4.899 50 0 FJAALO Fc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1c(F)cccc1F ZINC000037523777 571287259 /nfs/dbraw/zinc/28/72/59/571287259.db2.gz HRNZHWRLWVXHOU-NRFANRHFSA-N 1 2 356.391 4.901 50 0 FJAALO Fc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1c(F)cccc1F ZINC000037523777 571287261 /nfs/dbraw/zinc/28/72/61/571287261.db2.gz HRNZHWRLWVXHOU-NRFANRHFSA-N 1 2 356.391 4.901 50 0 FJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2cccc(F)c2)cc1 ZINC000002454027 571322971 /nfs/dbraw/zinc/32/29/71/571322971.db2.gz CVEBCTCNRMSQSN-UHFFFAOYSA-N 1 2 350.422 4.555 50 0 FJAALO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1cccc(Cl)c1Cl ZINC000013096186 571323025 /nfs/dbraw/zinc/32/30/25/571323025.db2.gz SOIZHSAXBHKPMR-ZDUSSCGKSA-N 1 2 355.290 4.831 50 0 FJAALO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1cccc(Cl)c1Cl ZINC000013096186 571323026 /nfs/dbraw/zinc/32/30/26/571323026.db2.gz SOIZHSAXBHKPMR-ZDUSSCGKSA-N 1 2 355.290 4.831 50 0 FJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccccc2F)cc1 ZINC000002454367 571323080 /nfs/dbraw/zinc/32/30/80/571323080.db2.gz ABWCAVFIMDQOQQ-UHFFFAOYSA-N 1 2 350.422 4.555 50 0 FJAALO O=C(Nc1ccc(C(F)(F)F)cc1)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096025055 571334114 /nfs/dbraw/zinc/33/41/14/571334114.db2.gz VXPONSTVSTWZSW-UHFFFAOYSA-N 1 2 374.366 4.550 50 0 FJAALO CC[C@@H]1CCCC[N@@H+]1CCn1c(=O)c2sc3ccccc3c2[nH]c1=S ZINC000002961723 571343022 /nfs/dbraw/zinc/34/30/22/571343022.db2.gz RXEIHGFQHMHMFE-CYBMUJFWSA-N 1 2 373.547 4.538 50 0 FJAALO CC[C@@H]1CCCC[N@H+]1CCn1c(=O)c2sc3ccccc3c2[nH]c1=S ZINC000002961723 571343023 /nfs/dbraw/zinc/34/30/23/571343023.db2.gz RXEIHGFQHMHMFE-CYBMUJFWSA-N 1 2 373.547 4.538 50 0 FJAALO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000057463297 571343480 /nfs/dbraw/zinc/34/34/80/571343480.db2.gz HGJMMXNGQBDRAV-XIKOKIGWSA-N 1 2 363.288 4.664 50 0 FJAALO CCc1ccccc1NC(=S)N1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000058096027 571348013 /nfs/dbraw/zinc/34/80/13/571348013.db2.gz TZOIEWIYIOFECZ-UHFFFAOYSA-N 1 2 373.953 4.765 50 0 FJAALO CCc1ccccc1NC(=S)N1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000058096027 571348014 /nfs/dbraw/zinc/34/80/14/571348014.db2.gz TZOIEWIYIOFECZ-UHFFFAOYSA-N 1 2 373.953 4.765 50 0 FJAALO Cc1cc(C)c(NC(=S)N2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000058096433 571348094 /nfs/dbraw/zinc/34/80/94/571348094.db2.gz KKRSQMWWTZWPOV-UHFFFAOYSA-N 1 2 371.525 4.613 50 0 FJAALO Cc1cc(C)c(NC(=S)N2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000058096433 571348095 /nfs/dbraw/zinc/34/80/95/571348095.db2.gz KKRSQMWWTZWPOV-UHFFFAOYSA-N 1 2 371.525 4.613 50 0 FJAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 ZINC000008004895 571358374 /nfs/dbraw/zinc/35/83/74/571358374.db2.gz DPXVQMBJFAGRGC-KRWDZBQOSA-N 1 2 369.465 4.601 50 0 FJAALO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 ZINC000008004895 571358375 /nfs/dbraw/zinc/35/83/75/571358375.db2.gz DPXVQMBJFAGRGC-KRWDZBQOSA-N 1 2 369.465 4.601 50 0 FJAALO CCC[NH+](CCC)c1ccc(CC(=O)N[C@@H](C)Cc2ccccc2)cc1 ZINC000000825326 219326614 /nfs/dbraw/zinc/32/66/14/219326614.db2.gz KCLKFJVOXMQQQD-IBGZPJMESA-N 1 2 352.522 4.603 50 0 FJAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1cccc(C)c1 ZINC000000949009 219345442 /nfs/dbraw/zinc/34/54/42/219345442.db2.gz BPDRHCVGLQJXJN-UHFFFAOYSA-N 1 2 350.418 4.862 50 0 FJAALO CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc([NH+](C)C)cc1 ZINC000000955152 219346727 /nfs/dbraw/zinc/34/67/27/219346727.db2.gz WYKXUIJZEZDKKA-UHFFFAOYSA-N 1 2 363.461 4.784 50 0 FJAALO Cc1ccc(-c2nc(C(=O)Nc3c(C)cc(C)[nH+]c3C)cs2)c(C)c1 ZINC000125468389 209361470 /nfs/dbraw/zinc/36/14/70/209361470.db2.gz UFKFIEYCORBKEZ-UHFFFAOYSA-N 1 2 351.475 5.000 50 0 FJAALO Cc1cccn2cc(-c3ccc(NC(=O)CCc4ccccc4O)cc3)[nH+]c12 ZINC000048344050 209330052 /nfs/dbraw/zinc/33/00/52/209330052.db2.gz YPILRJMTQKZAPP-UHFFFAOYSA-N 1 2 371.440 4.587 50 0 FJAALO Cc1ccc(C)c(-n2cnn(C[N@@H+]3CCC[C@H]3c3ccccc3)c2=S)c1 ZINC000012597691 220012342 /nfs/dbraw/zinc/01/23/42/220012342.db2.gz SDVLHOIQZZJTQW-IBGZPJMESA-N 1 2 364.518 4.815 50 0 FJAALO Cc1ccc(C)c(-n2cnn(C[N@H+]3CCC[C@H]3c3ccccc3)c2=S)c1 ZINC000012597691 220012345 /nfs/dbraw/zinc/01/23/45/220012345.db2.gz SDVLHOIQZZJTQW-IBGZPJMESA-N 1 2 364.518 4.815 50 0 FJAALO CCCc1[nH]c2ccc(CCC(=O)NCc3ccc(F)cc3Cl)cc2[nH+]1 ZINC000096332882 209151752 /nfs/dbraw/zinc/15/17/52/209151752.db2.gz LUPVZYOLTCGFPC-UHFFFAOYSA-N 1 2 373.859 4.557 50 0 FJAALO CCCc1[nH]c2cc(CCC(=O)NCc3ccc(F)cc3Cl)ccc2[nH+]1 ZINC000096332882 209151754 /nfs/dbraw/zinc/15/17/54/209151754.db2.gz LUPVZYOLTCGFPC-UHFFFAOYSA-N 1 2 373.859 4.557 50 0 FJAALO S=c1n(C[NH+]2CCCC2)nc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000013063496 220056318 /nfs/dbraw/zinc/05/63/18/220056318.db2.gz CKZRPNKSYNRJIC-UHFFFAOYSA-N 1 2 370.909 4.777 50 0 FJAALO O=C(C1CCC1)N(Cc1[nH+]ccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000096206952 209134603 /nfs/dbraw/zinc/13/46/03/209134603.db2.gz QTPUBLJYMFBJMW-UHFFFAOYSA-N 1 2 369.484 4.532 50 0 FJAALO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCOc2ccccc2C1 ZINC000015077538 220147245 /nfs/dbraw/zinc/14/72/45/220147245.db2.gz LSYZJXDYIWDJFO-UHFFFAOYSA-N 1 2 354.837 4.698 50 0 FJAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCOc2ccccc2C1 ZINC000015077538 220147248 /nfs/dbraw/zinc/14/72/48/220147248.db2.gz LSYZJXDYIWDJFO-UHFFFAOYSA-N 1 2 354.837 4.698 50 0 FJAALO COc1cccc(C[N@H+](C)Cc2nc(-c3cc(F)ccc3F)oc2C)c1 ZINC000015064188 220144269 /nfs/dbraw/zinc/14/42/69/220144269.db2.gz RESZFGKKTFKUAO-UHFFFAOYSA-N 1 2 358.388 4.569 50 0 FJAALO COc1cccc(C[N@@H+](C)Cc2nc(-c3cc(F)ccc3F)oc2C)c1 ZINC000015064188 220144272 /nfs/dbraw/zinc/14/42/72/220144272.db2.gz RESZFGKKTFKUAO-UHFFFAOYSA-N 1 2 358.388 4.569 50 0 FJAALO c1csc(-c2cc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)no2)c1 ZINC000016339574 220182476 /nfs/dbraw/zinc/18/24/76/220182476.db2.gz CTPSFHZYZWXTNY-MRXNPFEDSA-N 1 2 368.458 4.511 50 0 FJAALO c1csc(-c2cc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)no2)c1 ZINC000016339574 220182479 /nfs/dbraw/zinc/18/24/79/220182479.db2.gz CTPSFHZYZWXTNY-MRXNPFEDSA-N 1 2 368.458 4.511 50 0 FJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccc(F)cc2)cc1Cl ZINC000017120914 220207503 /nfs/dbraw/zinc/20/75/03/220207503.db2.gz CFGCFEBSLIJFQK-UHFFFAOYSA-N 1 2 367.815 4.529 50 0 FJAALO CC12CN3CC(C)(C[NH+](C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2 ZINC000019320325 220249478 /nfs/dbraw/zinc/24/94/78/220249478.db2.gz PNQROTJIHBSUQG-UHFFFAOYSA-N 1 2 371.528 4.736 50 0 FJAALO OCCn1c(-c2ccc(-c3ccccc3)cc2)cn2c3ccccc3[nH+]c21 ZINC000004497803 207022630 /nfs/dbraw/zinc/02/26/30/207022630.db2.gz LBYQRVUBVVCAPB-UHFFFAOYSA-N 1 2 353.425 4.615 50 0 FJAALO Cn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H]2c2cccs2)c1=S ZINC000007143692 207188475 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Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)n[nH]2)C1 ZINC000012299668 207356946 /nfs/dbraw/zinc/35/69/46/207356946.db2.gz GXBJBEBSBIMMHB-OAHLLOKOSA-N 1 2 359.901 4.590 50 0 FJAALO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)C)n[nH]2)C1 ZINC000012299668 207356948 /nfs/dbraw/zinc/35/69/48/207356948.db2.gz GXBJBEBSBIMMHB-OAHLLOKOSA-N 1 2 359.901 4.590 50 0 FJAALO COc1ccccc1C(=O)Nc1cccc(-c2cn3cccc(C)c3[nH+]2)c1 ZINC000012528769 207388073 /nfs/dbraw/zinc/38/80/73/207388073.db2.gz YLXRTLVGEQPFLL-UHFFFAOYSA-N 1 2 357.413 4.571 50 0 FJAALO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCOc2ccccc2C1 ZINC000012571293 207395459 /nfs/dbraw/zinc/39/54/59/207395459.db2.gz BSAWYUNPKCQTME-UHFFFAOYSA-N 1 2 354.837 4.698 50 0 FJAALO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCOc2ccccc2C1 ZINC000012571293 207395466 /nfs/dbraw/zinc/39/54/66/207395466.db2.gz BSAWYUNPKCQTME-UHFFFAOYSA-N 1 2 354.837 4.698 50 0 FJAALO CC(C)CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022352094 207805632 /nfs/dbraw/zinc/80/56/32/207805632.db2.gz DKAMGBGJYDJSHY-JOCHJYFZSA-N 1 2 370.924 4.620 50 0 FJAALO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000036348638 208155488 /nfs/dbraw/zinc/15/54/88/208155488.db2.gz ZKQJBECZNMRSLB-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000036348638 208155493 /nfs/dbraw/zinc/15/54/93/208155493.db2.gz ZKQJBECZNMRSLB-QFIPXVFZSA-N 1 2 368.427 4.770 50 0 FJAALO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)c3nc(C(C)(C)C)no3)CC2)c(C)c1 ZINC000040086191 208224175 /nfs/dbraw/zinc/22/41/75/208224175.db2.gz XUTXKLKSXLXRLW-MRXNPFEDSA-N 1 2 369.509 4.640 50 0 FJAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccc2c(c1)OCO2 ZINC000019791691 220295298 /nfs/dbraw/zinc/29/52/98/220295298.db2.gz JQRIRCKZZCYTMM-QFIPXVFZSA-N 1 2 357.413 4.802 50 0 FJAALO CC[C@H](C)c1c(-c2ccccc2)[nH+]cn1CCc1nc(-c2cccnc2)no1 ZINC000065395618 208674235 /nfs/dbraw/zinc/67/42/35/208674235.db2.gz AHQAYBPFTGJWPF-INIZCTEOSA-N 1 2 373.460 4.751 50 0 FJAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3oc(C)cc3c2)C1 ZINC000095366388 209031556 /nfs/dbraw/zinc/03/15/56/209031556.db2.gz DSIGOUPXLWWZNH-GOSISDBHSA-N 1 2 365.477 4.758 50 0 FJAALO O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095395350 209047607 /nfs/dbraw/zinc/04/76/07/209047607.db2.gz PTGHYNYURDHKLA-HNNXBMFYSA-N 1 2 370.522 4.856 50 0 FJAALO Clc1cc(C[NH2+]C2(c3nc(-c4ccsc4)no3)CCCCC2)ccn1 ZINC000095451554 209052166 /nfs/dbraw/zinc/05/21/66/209052166.db2.gz GUHRAQUGZCSRIO-UHFFFAOYSA-N 1 2 374.897 4.796 50 0 FJAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2coc(-c3cccs3)n2)cc1OC ZINC000048276345 221004402 /nfs/dbraw/zinc/00/44/02/221004402.db2.gz JBRGBFHLWXEAFO-MRXNPFEDSA-N 1 2 370.474 4.757 50 0 FJAALO COc1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3cccs3)n2)cc1OC ZINC000048276345 221004404 /nfs/dbraw/zinc/00/44/04/221004404.db2.gz JBRGBFHLWXEAFO-MRXNPFEDSA-N 1 2 370.474 4.757 50 0 FJAALO Oc1cc(-c2cccs2)cc2c1OCC[N@H+](Cc1ccccc1F)C2 ZINC000055107966 221058556 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COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1CCCn1cc[nH+]c1 ZINC000065382105 221207703 /nfs/dbraw/zinc/20/77/03/221207703.db2.gz IMIWOJPKQPSFBF-UHFFFAOYSA-N 1 2 372.472 4.821 50 0 FJAALO CCC[C@H](c1[nH+]ccn1C)n1cnc(-c2ccccc2)c1-c1cccnc1 ZINC000065404778 221214082 /nfs/dbraw/zinc/21/40/82/221214082.db2.gz QWMUOXAQGPPDMB-LJQANCHMSA-N 1 2 357.461 4.735 50 0 FJAALO C[C@H](Nc1c(C(=O)N2CCCC2)c[nH+]c2ccc(F)cc21)c1ccccc1 ZINC000067288269 221250353 /nfs/dbraw/zinc/25/03/53/221250353.db2.gz UMYWTVWXURAGTD-HNNXBMFYSA-N 1 2 363.436 4.783 50 0 FJAALO Cc1cccc(CNc2c(C(=O)N3CCCC3)c[nH+]c3ccc(F)cc32)c1 ZINC000067288301 221250758 /nfs/dbraw/zinc/25/07/58/221250758.db2.gz AEBRVRWXVAZILP-UHFFFAOYSA-N 1 2 363.436 4.530 50 0 FJAALO CCCn1nc(C)c(Cn2cnc(-c3ccccc3)c2-c2c[nH]c(C)[nH+]2)c1C ZINC000067490624 221257221 /nfs/dbraw/zinc/25/72/21/221257221.db2.gz DEFSXKICNXJHRT-UHFFFAOYSA-N 1 2 374.492 4.520 50 0 FJAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCC(F)(F)F)CCO2 ZINC000067868535 221296470 /nfs/dbraw/zinc/29/64/70/221296470.db2.gz BAMRWLAHZGTAFF-UHFFFAOYSA-N 1 2 351.368 4.514 50 0 FJAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CCC(F)(F)F)CCO2 ZINC000067868535 221296472 /nfs/dbraw/zinc/29/64/72/221296472.db2.gz BAMRWLAHZGTAFF-UHFFFAOYSA-N 1 2 351.368 4.514 50 0 FJAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](Cc2ccc(O)cc2)CCO3)s1 ZINC000067856304 221297115 /nfs/dbraw/zinc/29/71/15/221297115.db2.gz JLXOJNAILAGAOP-UHFFFAOYSA-N 1 2 367.470 4.529 50 0 FJAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](Cc2ccc(O)cc2)CCO3)s1 ZINC000067856304 221297116 /nfs/dbraw/zinc/29/71/16/221297116.db2.gz JLXOJNAILAGAOP-UHFFFAOYSA-N 1 2 367.470 4.529 50 0 FJAALO CC(C)n1ccnc1C[N@@H+]1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067886175 221300506 /nfs/dbraw/zinc/30/05/06/221300506.db2.gz RBMLSUXFSVCUDD-UHFFFAOYSA-N 1 2 371.488 4.566 50 0 FJAALO CC(C)n1ccnc1C[N@H+]1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067886175 221300508 /nfs/dbraw/zinc/30/05/08/221300508.db2.gz RBMLSUXFSVCUDD-UHFFFAOYSA-N 1 2 371.488 4.566 50 0 FJAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC[C@@H](CCc2ccccc2)C1 ZINC000071756911 221365447 /nfs/dbraw/zinc/36/54/47/221365447.db2.gz TZKYSKNPOBSRJF-IBGZPJMESA-N 1 2 359.473 4.562 50 0 FJAALO O=C1c2ccccc2N[C@@H](c2ccc(-n3cc[nH+]c3)cc2)N1c1ccccc1 ZINC000007128433 132259283 /nfs/dbraw/zinc/25/92/83/132259283.db2.gz FFNPUQNSVBPQMP-JOCHJYFZSA-N 1 2 366.424 4.643 50 0 FJAALO Clc1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1Cl ZINC000055542853 136126851 /nfs/dbraw/zinc/12/68/51/136126851.db2.gz PDQAHRGAJCDZRS-UHFFFAOYSA-N 1 2 355.696 4.969 50 0 FJAALO O=C(Nc1ccc(F)cc1)c1c[nH+]c2ccc(F)cc2c1N1CCCCC1 ZINC000071328645 136138922 /nfs/dbraw/zinc/13/89/22/136138922.db2.gz FSQQHMMKNJLRKH-UHFFFAOYSA-N 1 2 367.399 4.756 50 0 FJAALO C[N@H+](Cc1nc(-c2ccco2)no1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000096996610 222149589 /nfs/dbraw/zinc/14/95/89/222149589.db2.gz OWMICQDWRWTCKH-FQEVSTJZSA-N 1 2 363.392 4.690 50 0 FJAALO C[N@@H+](Cc1nc(-c2ccco2)no1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000096996610 222149591 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Cc1ccc(OCCN(C)C(=O)c2cccc(-c3cc(C)cc(C)[nH+]3)c2)cc1 ZINC000299801052 571203327 /nfs/dbraw/zinc/20/33/27/571203327.db2.gz XHWCWRNBAZXGII-UHFFFAOYSA-N 1 2 374.484 4.825 50 0 FJAALO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cc(-c4ccccc4)no3)nc2c1 ZINC000077503248 571213835 /nfs/dbraw/zinc/21/38/35/571213835.db2.gz MGROQUZCUXKBBW-OAQYLSRUSA-N 1 2 358.445 4.863 50 0 FJAALO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cc(-c4ccccc4)no3)nc2c1 ZINC000077503248 571213838 /nfs/dbraw/zinc/21/38/38/571213838.db2.gz MGROQUZCUXKBBW-OAQYLSRUSA-N 1 2 358.445 4.863 50 0 FJAALO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3cc(-c4ccccc4)no3)[nH]c2c1 ZINC000077503248 571213840 /nfs/dbraw/zinc/21/38/40/571213840.db2.gz MGROQUZCUXKBBW-OAQYLSRUSA-N 1 2 358.445 4.863 50 0 FJAALO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3cc(-c4ccccc4)no3)[nH]c2c1 ZINC000077503248 571213843 /nfs/dbraw/zinc/21/38/43/571213843.db2.gz MGROQUZCUXKBBW-OAQYLSRUSA-N 1 2 358.445 4.863 50 0 FJAALO Cc1cc2[nH+]cn(CCc3noc(-c4ccc(Cl)cc4)n3)c2cc1C ZINC000033320713 571234063 /nfs/dbraw/zinc/23/40/63/571234063.db2.gz XKSCMYUOCKCUEN-UHFFFAOYSA-N 1 2 352.825 4.599 50 0 FJAALO Cc1ccc(-c2noc(CCCSc3[nH+]cc4ccccn43)n2)cc1F ZINC000036392751 571252773 /nfs/dbraw/zinc/25/27/73/571252773.db2.gz DZBANAXVIMAJFR-UHFFFAOYSA-N 1 2 368.437 4.557 50 0 FJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1cccc(F)c1 ZINC000036446873 571255124 /nfs/dbraw/zinc/25/51/24/571255124.db2.gz ZIAXVKPMBHQDNQ-IBGZPJMESA-N 1 2 372.490 4.535 50 0 FJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1cccc(F)c1 ZINC000036446873 571255125 /nfs/dbraw/zinc/25/51/25/571255125.db2.gz ZIAXVKPMBHQDNQ-IBGZPJMESA-N 1 2 372.490 4.535 50 0 FJAALO Cc1[nH+]c2ccc(F)cc2c(OCc2csc([C@@H]3CCCO3)n2)c1C ZINC000170603538 571267128 /nfs/dbraw/zinc/26/71/28/571267128.db2.gz RFEHTXQKNVCWSJ-KRWDZBQOSA-N 1 2 358.438 4.878 50 0 FJAALO Cc1c[nH+]c(CSc2nc3ccccc3[nH]2)c(C)c1OCC(F)(F)F ZINC000034114765 571308568 /nfs/dbraw/zinc/30/85/68/571308568.db2.gz JAUPDRHDNQFSNF-UHFFFAOYSA-N 1 2 367.396 4.808 50 0 FJAALO CCOc1ccc(-c2nc(C[N@H+](Cc3cccnc3)C3CC3)cs2)cc1 ZINC000095468521 571330604 /nfs/dbraw/zinc/33/06/04/571330604.db2.gz XFORHUWXGSYNEI-UHFFFAOYSA-N 1 2 365.502 4.768 50 0 FJAALO CCOc1ccc(-c2nc(C[N@@H+](Cc3cccnc3)C3CC3)cs2)cc1 ZINC000095468521 571330605 /nfs/dbraw/zinc/33/06/05/571330605.db2.gz XFORHUWXGSYNEI-UHFFFAOYSA-N 1 2 365.502 4.768 50 0 FJAALO CCCC[N@H+]1Cc2c(C)c(C)sc2N(C(=O)c2ccc(OC)cc2)C1 ZINC000002551949 571338484 /nfs/dbraw/zinc/33/84/84/571338484.db2.gz WBNXKGKKHZPTTL-UHFFFAOYSA-N 1 2 358.507 4.594 50 0 FJAALO CCCC[N@@H+]1Cc2c(C)c(C)sc2N(C(=O)c2ccc(OC)cc2)C1 ZINC000002551949 571338485 /nfs/dbraw/zinc/33/84/85/571338485.db2.gz WBNXKGKKHZPTTL-UHFFFAOYSA-N 1 2 358.507 4.594 50 0 FJAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[N@H+](Cc2ccccc2)C1 ZINC000058091377 571347993 /nfs/dbraw/zinc/34/79/93/571347993.db2.gz KDZVPNHAGBDORE-UHFFFAOYSA-N 1 2 364.276 4.691 50 0 FJAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058091377 571347994 /nfs/dbraw/zinc/34/79/94/571347994.db2.gz KDZVPNHAGBDORE-UHFFFAOYSA-N 1 2 364.276 4.691 50 0 FJAALO Cc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000003911639 571353268 /nfs/dbraw/zinc/35/32/68/571353268.db2.gz MTOCXRIUZQVVSY-UHFFFAOYSA-N 1 2 363.442 4.886 50 0 aggregator FJAALO Cc1ccc(C(C)C)c(OCCCn2c(CCCO)[nH+]c3ccccc32)c1 ZINC000004317686 571357910 /nfs/dbraw/zinc/35/79/10/571357910.db2.gz NRWYBZRCESXQJO-UHFFFAOYSA-N 1 2 366.505 4.862 50 0 FJAALO