smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccsc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000003766098 204110441 /nfs/dbraw/zinc/11/04/41/204110441.db2.gz SMPQIXUSZSIWBA-YRNVUSSQSA-N 0 1 366.514 3.664 50 10 FHCAMN Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4F)o3)C2=O)c1 ZINC000004470683 204139861 /nfs/dbraw/zinc/13/98/61/204139861.db2.gz BMWSFCOIWKFNTM-ATVHPVEESA-N 0 1 362.360 3.856 50 10 FHCAMN CC(C)c1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)NC2=S)cc1 ZINC000009262618 204360867 /nfs/dbraw/zinc/36/08/67/204360867.db2.gz JCWJFASWCYOXJK-GDNBJRDFSA-N 0 1 356.472 3.703 50 10 FHCAMN COc1ccc2c(c1)C[C@H](N1CCN(C)CC1)c1cc(OC)ccc1S2 ZINC000019802404 570903251 /nfs/dbraw/zinc/90/32/51/570903251.db2.gz CNYRNWBKXAGLAB-IBGZPJMESA-N 0 1 370.518 3.700 50 10 FHCAMN CN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000009015886 571091658 /nfs/dbraw/zinc/09/16/58/571091658.db2.gz DIVBRVULNGTEDM-BOPFTXTBSA-N 0 1 359.385 3.622 50 10 FHCAMN CCOc1ccc(-c2cnc(NCc3cccc(OC)c3O)n2C)cc1 ZINC000004679010 204154498 /nfs/dbraw/zinc/15/44/98/204154498.db2.gz HWWZJGWBGCFUQQ-UHFFFAOYSA-N 0 1 353.422 3.812 50 10 FHCAMN COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc1O ZINC000217825719 206366550 /nfs/dbraw/zinc/36/65/50/206366550.db2.gz OLXHHBMFBAJJLZ-UHFFFAOYSA-N 0 1 363.329 3.650 50 10 FHCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C ZINC000001181816 132380907 /nfs/dbraw/zinc/38/09/07/132380907.db2.gz NUAKOVUZHMBGQW-OQLLNIDSSA-N 0 1 373.865 3.967 50 10 FHCAMN CCCOc1ccccc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O ZINC000013562079 570779435 /nfs/dbraw/zinc/77/94/35/570779435.db2.gz BIRCYRMEZWVRHH-VBKFSLOCSA-N 0 1 356.809 3.590 50 10 FHCAMN Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@@H](c2ccc(O)cc2)C1 ZINC000013722413 570786830 /nfs/dbraw/zinc/78/68/30/570786830.db2.gz JFMYBNIKKRNSGV-OAHLLOKOSA-N 0 1 364.401 3.568 50 10 FHCAMN COC(=O)c1ccc(Cl)cc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000101484778 570820765 /nfs/dbraw/zinc/82/07/65/570820765.db2.gz ZGJFGSXKYGBVRZ-LFIBNONCSA-N 0 1 369.808 3.845 50 10 FHCAMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc2c(cc1O)OCO2 ZINC000007317270 571264241 /nfs/dbraw/zinc/26/42/41/571264241.db2.gz DSZCMVCLFUSQRS-UHFFFAOYSA-N 0 1 354.450 3.743 50 10 FHCAMN O=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c21 ZINC000003997649 204116785 /nfs/dbraw/zinc/11/67/85/204116785.db2.gz PQOKCFGUWMJLHK-UHFFFAOYSA-N 0 1 353.374 3.838 50 10 FHCAMN COc1ccc(NC(C)=C2C(C)=NN(c3ccccc3)C2=O)c(OC)c1 ZINC000103864226 206236563 /nfs/dbraw/zinc/23/65/63/206236563.db2.gz LDHHPWBQYKMBAR-CPNJWEJPSA-N 0 1 351.406 3.812 50 10 FHCAMN COc1ccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)NC2=S)cc1 ZINC000001197673 536656773 /nfs/dbraw/zinc/65/67/73/536656773.db2.gz KEBBVAUQERDWIL-XEXQVEHGSA-N 0 1 354.387 3.516 50 10 FHCAMN COc1ccccc1N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000004980774 571072877 /nfs/dbraw/zinc/07/28/77/571072877.db2.gz DQDXJAXRPBFAKS-VOTSOKGWSA-N 0 1 351.494 3.597 50 10 FHCAMN COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[nH]n(-c2ccccc2C)c1=O ZINC000004180599 204126628 /nfs/dbraw/zinc/12/66/28/204126628.db2.gz QTYVWYAWJWQHMC-RVDMUPIBSA-N 0 1 366.377 3.630 50 10 FHCAMN Cc1ccc(N2NC(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1C ZINC000004460739 204140322 /nfs/dbraw/zinc/14/03/22/204140322.db2.gz LCTYFISFRSQCJU-YBEGLDIGSA-N 0 1 371.234 3.527 50 10 FHCAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)ccc2O)N3)C1 ZINC000004556310 204146662 /nfs/dbraw/zinc/14/66/62/204146662.db2.gz UVZRJNYJZNOXHY-OAHLLOKOSA-N 0 1 363.870 3.914 50 10 FHCAMN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)ccc1O ZINC000217842735 206365523 /nfs/dbraw/zinc/36/55/23/206365523.db2.gz RHPKVKRGCRQQNN-UHFFFAOYSA-N 0 1 363.329 3.650 50 10 FHCAMN Oc1ccc2c3nc4n[nH]cc4c(-c4ccc5c(c4)OCO5)c3oc2c1O ZINC000217833065 206366323 /nfs/dbraw/zinc/36/63/23/206366323.db2.gz WWZOYJJBFODWIY-UHFFFAOYSA-N 0 1 361.313 3.664 50 10 FHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000004456206 132304137 /nfs/dbraw/zinc/30/41/37/132304137.db2.gz HGYRLQAVCZEEJC-AQTBWJFISA-N 0 1 358.422 3.671 50 10 FHCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001302116 132381579 /nfs/dbraw/zinc/38/15/79/132381579.db2.gz NSPMFUSNPMGNDC-LCYFTJDESA-N 0 1 365.389 3.979 50 10 FHCAMN COc1ccc(N2CCN(Cc3nc4ccccc4nc3C)[C@@H](C)C2)cc1 ZINC000072148090 136142776 /nfs/dbraw/zinc/14/27/76/136142776.db2.gz UATKCWXRNZOKCF-INIZCTEOSA-N 0 1 362.477 3.658 50 10 FHCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C ZINC000100147697 570499991 /nfs/dbraw/zinc/49/99/91/570499991.db2.gz PHCPNSHHXUOXSD-CPNJWEJPSA-N 0 1 358.401 3.692 50 10 FHCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl ZINC000100148631 570500200 /nfs/dbraw/zinc/50/02/00/570500200.db2.gz AYTWVQSPJDUZIA-UVTDQMKNSA-N 0 1 356.769 3.967 50 10 FHCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)[nH]1 ZINC000034221865 570658092 /nfs/dbraw/zinc/65/80/92/570658092.db2.gz SMGLVRMRUNCMGK-SXGWCWSVSA-N 0 1 353.447 3.920 50 10 FHCAMN O=C1c2c([O-])c(Cl)c(Cl)c(O)c2C(=O)[C@H]2Cc3ccccc3C[C@@H]12 ZINC000013407624 570777560 /nfs/dbraw/zinc/77/75/60/570777560.db2.gz AWHCYSWQJIHNOH-AOOOYVTPSA-N 0 1 363.196 3.815 50 10 FHCAMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C[C@H](C)O1 ZINC000013402142 570777585 /nfs/dbraw/zinc/77/75/85/570777585.db2.gz WFVKUPXLIMZXQM-GASCZTMLSA-N 0 1 365.429 3.775 50 10 FHCAMN Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000013765350 570789874 /nfs/dbraw/zinc/78/98/74/570789874.db2.gz SFMBBSWJZWZYHB-WJDWOHSUSA-N 0 1 351.406 3.813 50 10 FHCAMN Cc1ccc(N2NC(=O)/C(=C\c3ccccc3OC(C)C)C2=O)cc1Cl ZINC000207341881 570863792 /nfs/dbraw/zinc/86/37/92/570863792.db2.gz NETSHMJZESJOMG-MHWRWJLKSA-N 0 1 370.836 3.897 50 10 FHCAMN CC(C)c1ccc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022815942 570950278 /nfs/dbraw/zinc/95/02/78/570950278.db2.gz AZVQSKVFMAWMJA-UHFFFAOYSA-N 0 1 368.477 3.562 50 10 FHCAMN CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000035349273 571167192 /nfs/dbraw/zinc/16/71/92/571167192.db2.gz HLCZIWQKJYWFKE-QFIPXVFZSA-N 0 1 365.521 3.624 50 10 FHCAMN COc1ccccc1CC(=O)c1ccc([O-])c(C[N@H+]2CCC[C@@H](C)C2)c1O ZINC000023135341 571217950 /nfs/dbraw/zinc/21/79/50/571217950.db2.gz WULWKGHWNHILFD-OAHLLOKOSA-N 0 1 369.461 3.764 50 10 FHCAMN CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1C ZINC000004180584 204125692 /nfs/dbraw/zinc/12/56/92/204125692.db2.gz HCTNOZXQQIKGCY-LFIBNONCSA-N 0 1 350.378 3.930 50 10 FHCAMN Cc1[nH]n(-c2ccccc2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C ZINC000004180584 204125693 /nfs/dbraw/zinc/12/56/93/204125693.db2.gz HCTNOZXQQIKGCY-LFIBNONCSA-N 0 1 350.378 3.930 50 10 FHCAMN CCc1cc2c(C)cc(=O)oc2c(C[N@@H+](C)CCOc2ccccc2)c1[O-] ZINC000012747785 206295519 /nfs/dbraw/zinc/29/55/19/206295519.db2.gz JLUROAWJOIWCSJ-UHFFFAOYSA-N 0 1 367.445 3.880 50 10 FHCAMN COc1ccccc1[C@H]1CC(c2c(C)cc3oc(=O)cc(C)c3c2O)=NN1 ZINC000012322679 568161745 /nfs/dbraw/zinc/16/17/45/568161745.db2.gz LVBZUYITPZOMBN-CQSZACIVSA-N 0 1 364.401 3.563 50 10 FHCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000101114196 570816756 /nfs/dbraw/zinc/81/67/56/570816756.db2.gz NIEATQVKRHEWAZ-MHWRWJLKSA-N 0 1 356.769 3.967 50 10 FHCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000101114196 570816761 /nfs/dbraw/zinc/81/67/61/570816761.db2.gz NIEATQVKRHEWAZ-MHWRWJLKSA-N 0 1 356.769 3.967 50 10 FHCAMN CC(C)CCCN1C(=O)NC(=O)/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000000756225 571068911 /nfs/dbraw/zinc/06/89/11/571068911.db2.gz KGYIATSZHJSOKK-MDWZMJQESA-N 0 1 369.248 3.891 50 10 FHCAMN COc1ccccc1CC(=O)c1ccc([O-])c(C[N@H+]2CCC[C@H](C)C2)c1O ZINC000023135343 571218043 /nfs/dbraw/zinc/21/80/43/571218043.db2.gz WULWKGHWNHILFD-HNNXBMFYSA-N 0 1 369.461 3.764 50 10 FHCAMN COc1ccc(OC)c(-c2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3CCO)c2)c1 ZINC000020536913 941895102 /nfs/dbraw/zinc/89/51/02/941895102.db2.gz XXWIMXOQONAEKV-GOSISDBHSA-N 0 1 371.477 3.813 50 10 FHCAMN COc1ccc(OC)c(-c2ccc([O-])c(C[N@H+]3CCCC[C@@H]3CCO)c2)c1 ZINC000020536913 941895105 /nfs/dbraw/zinc/89/51/05/941895105.db2.gz XXWIMXOQONAEKV-GOSISDBHSA-N 0 1 371.477 3.813 50 10 FHCAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cccnc1Cl ZINC000004406647 204138776 /nfs/dbraw/zinc/13/87/76/204138776.db2.gz MEAAJWRICNFMEE-UHFFFAOYSA-N 0 1 353.234 3.996 50 10 FHCAMN COc1ccc(CC[NH2+]Cc2cc(Br)ccc2[O-])cc1OC ZINC000040477076 205071683 /nfs/dbraw/zinc/07/16/83/205071683.db2.gz LDVVQNOPEDNRRF-UHFFFAOYSA-N 0 1 366.255 3.504 50 10 FHCAMN CCCCCCN1C(=O)NC(=O)C(=S(CCCC)CCCC)C1=O ZINC000013751528 206306007 /nfs/dbraw/zinc/30/60/07/206306007.db2.gz MOXFGXPEEZNAMC-UHFFFAOYSA-N 0 1 356.532 3.687 50 10 FHCAMN COc1cccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)NC2=S)c1 ZINC000001197553 132252375 /nfs/dbraw/zinc/25/23/75/132252375.db2.gz MKHHXEBLYKQVOL-AYRRQIOMSA-N 0 1 354.387 3.516 50 10 FHCAMN Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)s1 ZINC000008556708 132260308 /nfs/dbraw/zinc/26/03/08/132260308.db2.gz IAIAMGPIIQDIPP-ZROIWOOFSA-N 0 1 356.472 3.505 50 10 FHCAMN Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@H](c2ccc(O)cc2)C1 ZINC000013722416 570786750 /nfs/dbraw/zinc/78/67/50/570786750.db2.gz JFMYBNIKKRNSGV-HNNXBMFYSA-N 0 1 364.401 3.568 50 10 FHCAMN Cc1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C(=O)NC2=S)c1 ZINC000009044338 571093138 /nfs/dbraw/zinc/09/31/38/571093138.db2.gz YAAUTAXFJOGMSQ-XYOKQWHBSA-N 0 1 373.415 3.636 50 10 FHCAMN O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1 ZINC000001155678 571148373 /nfs/dbraw/zinc/14/83/73/571148373.db2.gz ZRCCDSAAMJJQCI-FLGOTCTISA-N 0 1 364.376 3.927 50 10 FHCAMN COc1ccc(N2CCN(Cc3nc(C)n4ccccc34)CC2(C)C)cc1 ZINC000072143894 571172446 /nfs/dbraw/zinc/17/24/46/571172446.db2.gz XXDVXGVANARMTA-UHFFFAOYSA-N 0 1 364.493 3.752 50 10 FHCAMN Cc1ccc2nc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)[nH]c2c1 ZINC000012506665 571173127 /nfs/dbraw/zinc/17/31/27/571173127.db2.gz OTYJZPFBLXFKRF-UHFFFAOYSA-N 0 1 368.506 3.688 50 10 FHCAMN CN(Cc1ccc(N2CCOCC2)cc1)Cn1c2ccccc2oc1=S ZINC000007317452 571264320 /nfs/dbraw/zinc/26/43/20/571264320.db2.gz CMCHMLWIGRXWSA-UHFFFAOYSA-N 0 1 369.490 3.890 50 10 FHCAMN COc1ccc(OC)c(-c2ccc([O-])c(C[N@@H+]3CCCC[C@H]3CCO)c2)c1 ZINC000020536915 941894884 /nfs/dbraw/zinc/89/48/84/941894884.db2.gz XXWIMXOQONAEKV-SFHVURJKSA-N 0 1 371.477 3.813 50 10 FHCAMN COc1ccc(OC)c(-c2ccc([O-])c(C[N@H+]3CCCC[C@H]3CCO)c2)c1 ZINC000020536915 941894886 /nfs/dbraw/zinc/89/48/86/941894886.db2.gz XXWIMXOQONAEKV-SFHVURJKSA-N 0 1 371.477 3.813 50 10 FHCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(Br)cc3)C2=O)cc1C ZINC000004460734 204139595 /nfs/dbraw/zinc/13/95/95/204139595.db2.gz RDQUBXHMJSELBM-YBEGLDIGSA-N 0 1 371.234 3.527 50 10 FHCAMN Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c(O)c1 ZINC000004554078 204147273 /nfs/dbraw/zinc/14/72/73/204147273.db2.gz MSZYWPCMZVGQIO-QGZVFWFLSA-N 0 1 357.479 3.958 50 10 FHCAMN O=C1NC(=O)C(=Cc2ccccc2OCc2ccccc2Cl)C(=O)N1 ZINC000008856617 204347880 /nfs/dbraw/zinc/34/78/80/204347880.db2.gz UBVUILNVPQVKBS-UHFFFAOYSA-N 0 1 356.765 3.509 50 10 FHCAMN Cc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C(=O)NC2=S)cc1 ZINC000002820564 132383994 /nfs/dbraw/zinc/38/39/94/132383994.db2.gz VBXASWUMDTVHOY-XYOKQWHBSA-N 0 1 373.415 3.636 50 10 FHCAMN O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccc2cccnc21 ZINC000001120410 263142824 /nfs/dbraw/zinc/14/28/24/263142824.db2.gz VOLVNBIKBMKQKR-UHFFFAOYSA-N 0 1 350.399 3.894 50 10 FHCAMN Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cc(Cl)ccc1O ZINC000000819088 568296926 /nfs/dbraw/zinc/29/69/26/568296926.db2.gz LROUNQRXRJJNEW-UHFFFAOYSA-N 0 1 358.785 3.966 50 10 FHCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101074659 570804860 /nfs/dbraw/zinc/80/48/60/570804860.db2.gz UNTSBLQYESMNKO-GXDHUFHOSA-N 0 1 356.769 3.967 50 10 FHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000014257499 570816599 /nfs/dbraw/zinc/81/65/99/570816599.db2.gz ADQBSLSEFQRPDM-QNGOZBTKSA-N 0 1 370.408 3.727 50 10 FHCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101346634 570819260 /nfs/dbraw/zinc/81/92/60/570819260.db2.gz YQTXITHARXZHAV-UVTDQMKNSA-N 0 1 356.769 3.967 50 10 FHCAMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101346674 570819366 /nfs/dbraw/zinc/81/93/66/570819366.db2.gz GYVYCODEZRSOIC-PTNGSMBKSA-N 0 1 350.378 3.930 50 10 FHCAMN CCOc1ncccc1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000095469448 571330645 /nfs/dbraw/zinc/33/06/45/571330645.db2.gz ZPQGXDBUKSWGBG-LLVKDONJSA-N 0 1 351.244 3.799 50 10 FHCAMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000004783824 204163499 /nfs/dbraw/zinc/16/34/99/204163499.db2.gz VOOBMGMFLRZKFB-QFGUUYLXSA-N 0 1 370.449 3.658 50 10 FHCAMN Cc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c1O ZINC000004554071 204147263 /nfs/dbraw/zinc/14/72/63/204147263.db2.gz WFZIOUOSARXAEG-KRWDZBQOSA-N 0 1 357.479 3.958 50 10 FHCAMN CCn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000009087721 204354661 /nfs/dbraw/zinc/35/46/61/204354661.db2.gz DCZURKWRMPPNLY-LDADJPATSA-N 0 1 373.412 3.528 50 10 FHCAMN CCOc1ccccc1N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000004980637 570615769 /nfs/dbraw/zinc/61/57/69/570615769.db2.gz GOOLXMPLDKAKES-BQYQJAHWSA-N 0 1 365.521 3.987 50 10 FHCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1C ZINC000013801304 570791587 /nfs/dbraw/zinc/79/15/87/570791587.db2.gz QJQQMTPOYIGMLI-OVCLIPMQSA-N 0 1 373.865 3.967 50 10 FHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 ZINC000032109781 571049653 /nfs/dbraw/zinc/04/96/53/571049653.db2.gz QAVOLHMSUZKUPY-PDGQHHTCSA-N 0 1 369.852 3.648 50 10 FHCAMN Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000001176549 571069787 /nfs/dbraw/zinc/06/97/87/571069787.db2.gz ZLWLGDPVSRFLKF-LICLKQGHSA-N 0 1 351.406 3.643 50 10 aggregator FHCAMN Cc1cc2oc(=O)cc(C)c2c(O)c1C1=NN[C@H](c2ccc(F)cc2F)C1 ZINC000012389540 571082589 /nfs/dbraw/zinc/08/25/89/571082589.db2.gz SQPSRLKTACMPRO-AWEZNQCLSA-N 0 1 370.355 3.832 50 10 FHCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000002996634 945110128 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Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000016116019 570850596 /nfs/dbraw/zinc/85/05/96/570850596.db2.gz WBWDKBFGHJVMFE-NSIKDUERSA-N 0 1 350.205 3.581 50 10 FHCAMN CN(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000017163360 570869973 /nfs/dbraw/zinc/86/99/73/570869973.db2.gz MTZOXFWDKHNLEB-SDNWHVSQSA-N 0 1 369.421 3.563 50 10 FHCAMN CCN1CC[NH+]([C@H](c2cccs2)c2ccc3cccnc3c2[O-])CC1 ZINC000021486900 570930916 /nfs/dbraw/zinc/93/09/16/570930916.db2.gz VIYYFLSFUIKSSY-IBGZPJMESA-N 0 1 353.491 3.729 50 10 FHCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000001167020 571149090 /nfs/dbraw/zinc/14/90/90/571149090.db2.gz WBWDKBFGHJVMFE-MKMNVTDBSA-N 0 1 350.205 3.581 50 10 FHCAMN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc([O-])c(C[NH+](C)C)c21 ZINC000001227931 571187603 /nfs/dbraw/zinc/18/76/03/571187603.db2.gz FHUAHZXWMLDGLP-UHFFFAOYSA-N 0 1 352.434 3.883 50 10 FHCAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000100148542 209210132 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