smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C1/C(=C\c2ccc(Cl)cc2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000026642541 210161169 /nfs/dbraw/zinc/16/11/69/210161169.db2.gz ZOLPJWPCPMREPG-DNDQVXSWSA-N 0 0 372.881 4.539 40 10 FJCBRN CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S ZINC000001180826 210075998 /nfs/dbraw/zinc/07/59/98/210075998.db2.gz YSUSGSLYZFCNAC-PDGQHHTCSA-N 0 0 369.511 4.795 40 10 FJCBRN Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000001085945 219367495 /nfs/dbraw/zinc/36/74/95/219367495.db2.gz KGGWLLBYMVCZTL-RCCKNPSSSA-N 0 0 354.409 4.535 40 10 FJCBRN CC(C)c1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 ZINC000225558697 222850899 /nfs/dbraw/zinc/85/08/99/222850899.db2.gz YGSKTACUJHFDMO-UHFFFAOYSA-N 0 0 353.535 4.549 40 10 FJCBRN CCOc1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004140463 219548805 /nfs/dbraw/zinc/54/88/05/219548805.db2.gz MGMWGGWTLFZCCQ-BXTJHSDWSA-N 0 0 366.417 4.829 40 10 FJCBRN CN(CCO)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000004774773 204162724 /nfs/dbraw/zinc/16/27/24/204162724.db2.gz MPIGKGDPQRWZLU-VHEBQXMUSA-N 0 0 369.208 4.746 40 10 FJCBRN O=C1C2=CNN[C@@]2(C(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000005699001 204222226 /nfs/dbraw/zinc/22/22/26/204222226.db2.gz PHAJJSDXCOLSSX-RDPSFJRHSA-N 0 0 366.420 4.719 40 10 FJCBRN O=C(CCSc1ccc(Cl)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000013670570 220082971 /nfs/dbraw/zinc/08/29/71/220082971.db2.gz OZGKIBJUMITUHX-UHFFFAOYSA-N 0 0 374.937 4.739 40 10 FJCBRN COc1ccc(C)c2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000000871817 206137527 /nfs/dbraw/zinc/13/75/27/206137527.db2.gz DWRQJVRFOLULAC-MDOVXXIYSA-N 0 0 366.417 4.747 40 10 FJCBRN CCOc1c(/N=N/c2ccccc2OCC)c(C)nn1C(=S)SC ZINC000017142268 211181709 /nfs/dbraw/zinc/18/17/09/211181709.db2.gz SSAVLSHAEKKQHV-ISLYRVAYSA-N 0 0 364.496 4.900 40 10 FJCBRN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000004854888 210571783 /nfs/dbraw/zinc/57/17/83/210571783.db2.gz KPXLFBDJKVKOJT-DOXZYTNZSA-N 0 0 351.362 4.638 40 10 FJCBRN CN(C)c1ccc(C(c2ccc(N(C)C)cc2)[C@H](O)c2ccccc2)cc1 ZINC000001668171 210366271 /nfs/dbraw/zinc/36/62/71/210366271.db2.gz PRTAWNIPSGXBMN-XMMPIXPASA-N 0 0 360.501 4.684 40 10 FJCBRN C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217912869 132272658 /nfs/dbraw/zinc/27/26/58/132272658.db2.gz KYEQDVCHTFVJCJ-UBAQAOMRSA-N 0 0 366.480 4.953 40 10 FJCBRN C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217912673 132272872 /nfs/dbraw/zinc/27/28/72/132272872.db2.gz IWRRGKULCTWBCJ-OPGJMIRHSA-N 0 0 366.480 4.953 40 10 FJCBRN Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000218808856 132273365 /nfs/dbraw/zinc/27/33/65/132273365.db2.gz SBMGHVSBFFSPPL-XLIONFOSSA-N 0 0 364.533 4.960 40 10 FJCBRN C[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219488971 132274286 /nfs/dbraw/zinc/27/42/86/132274286.db2.gz ANBSHPYKNRGUMA-OALUTQOASA-N 0 0 366.505 4.568 40 10 FJCBRN COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1F ZINC000225393629 132284319 /nfs/dbraw/zinc/28/43/19/132284319.db2.gz DDFMMOWVWJQTCG-MRXNPFEDSA-N 0 0 370.468 4.562 40 10 FJCBRN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCCC4)cc2)C1 ZINC000225633316 132285618 /nfs/dbraw/zinc/28/56/18/132285618.db2.gz VCKWZRFZYSXGAD-SFHVURJKSA-N 0 0 362.517 4.732 40 10 FJCBRN Cc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225689280 132285871 /nfs/dbraw/zinc/28/58/71/132285871.db2.gz CXVSXRPCKSLTAD-QGZVFWFLSA-N 0 0 353.535 4.718 40 10 FJCBRN Cc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1Cl ZINC000225745525 132286642 /nfs/dbraw/zinc/28/66/42/132286642.db2.gz XHRJZKFSNSJMID-UHFFFAOYSA-N 0 0 373.953 4.778 40 10 FJCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000100929731 222257910 /nfs/dbraw/zinc/25/79/10/222257910.db2.gz RTVGVSVVVBJARP-BOPFTXTBSA-N 0 0 359.351 4.732 40 10 FJCBRN COc1ccccc1N=NC(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000102949174 222315424 /nfs/dbraw/zinc/31/54/24/222315424.db2.gz LLSICZJZRXBVNC-WCWDXBQESA-N 0 0 358.397 4.913 40 10 FJCBRN Nc1nn2cc3c(nc2c1N=Nc1ccc(Cl)cc1)-c1ccccc1CC3 ZINC000104229646 222352490 /nfs/dbraw/zinc/35/24/90/222352490.db2.gz ZRLPNVQBJNKCRS-IZHYLOQSSA-N 0 0 374.835 4.976 40 10 FJCBRN Cc1ccc(CSCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000010113080 263362924 /nfs/dbraw/zinc/36/29/24/263362924.db2.gz KVAWJNVLUSBHGG-UHFFFAOYSA-N 0 0 368.546 4.535 40 10 FJCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(C)C2=O)c1C ZINC000059104509 263416666 /nfs/dbraw/zinc/41/66/66/263416666.db2.gz OSIMTQQTRNTZAT-GZTJUZNOSA-N 0 0 354.475 4.631 40 10 FJCBRN COc1ccc2cc(C3=C/C(=C/c4ccc([N+](=O)[O-])cc4)C(=O)O3)ccc2c1 ZINC000408722606 263491127 /nfs/dbraw/zinc/49/11/27/263491127.db2.gz MAPKBMDNXCMBHQ-ZDLGFXPLSA-N 0 0 373.364 4.738 40 10 FJCBRN O=C1/C(=C\c2cccn2-c2ccccc2)SC(=S)N1c1ccccc1 ZINC000408902598 263505579 /nfs/dbraw/zinc/50/55/79/263505579.db2.gz OTMFHHDEKBAPCP-NBVRZTHBSA-N 0 0 362.479 4.883 40 10 FJCBRN CCN1C(=O)/C(=C/c2c(OC(C)C)ccc3ccccc32)SC1=S ZINC000409327731 263549242 /nfs/dbraw/zinc/54/92/42/263549242.db2.gz MAKAATFVBHYXES-BOPFTXTBSA-N 0 0 357.500 4.848 40 10 FJCBRN C[C@H](NC(=O)CSc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217972374 524975666 /nfs/dbraw/zinc/97/56/66/524975666.db2.gz MWNBJZDSEAVBIW-SFHVURJKSA-N 0 0 368.546 4.892 40 10 FJCBRN O=C1CS[C@H](c2ccc(N3CCCC3)cc2)N1c1ccc(Cl)cc1 ZINC000408557981 570553826 /nfs/dbraw/zinc/55/38/26/570553826.db2.gz RFAGTZYYCIVOLN-LJQANCHMSA-N 0 0 358.894 4.719 40 10 FJCBRN CC1(C)CC(=O)[C@@H]2[C@@H](C1)Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000005011714 570617926 /nfs/dbraw/zinc/61/79/26/570617926.db2.gz FFDVJTDNVGIUNO-HOJAQTOUSA-N 0 0 365.433 4.547 40 10 FJCBRN COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408760697 570620104 /nfs/dbraw/zinc/62/01/04/570620104.db2.gz DHXJBGVGWWWRGK-XSFVSMFZSA-N 0 0 374.465 4.900 40 10 FJCBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c1 ZINC000005371897 570624748 /nfs/dbraw/zinc/62/47/48/570624748.db2.gz DMHWXSPWGRPEBX-SXGWCWSVSA-N 0 0 373.886 4.948 40 10 FJCBRN C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453371 570627984 /nfs/dbraw/zinc/62/79/84/570627984.db2.gz LZVJUAZCECUXCR-DLBZAZTESA-N 0 0 370.924 4.996 40 10 FJCBRN C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466263 570628874 /nfs/dbraw/zinc/62/88/74/570628874.db2.gz KYEQDVCHTFVJCJ-XQMGMDATSA-N 0 0 366.480 4.953 40 10 FJCBRN CCc1ccccc1N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000005551897 570630330 /nfs/dbraw/zinc/63/03/30/570630330.db2.gz AACMBOMNQIXVOC-WJDWOHSUSA-N 0 0 370.455 4.563 40 10 FJCBRN CCOc1ccccc1N1C(=O)/C(=C\c2cccc(F)c2)SC1=S ZINC000005960319 570639738 /nfs/dbraw/zinc/63/97/38/570639738.db2.gz NTLDYPSYYPCTTI-LFIBNONCSA-N 0 0 359.447 4.630 40 10 FJCBRN Cc1ccc(N2C(=O)C(C)(C)[C@@H]2c2cc(Br)ccc2O)cc1 ZINC000001078509 570641889 /nfs/dbraw/zinc/64/18/89/570641889.db2.gz XRHSVSXYVPVTMG-INIZCTEOSA-N 0 0 360.251 4.577 40 10 FJCBRN COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000004320922 570666918 /nfs/dbraw/zinc/66/69/18/570666918.db2.gz LSEUQOBRAOITCE-DOXZYTNZSA-N 0 0 369.848 4.962 40 10 FJCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000004719506 570668985 /nfs/dbraw/zinc/66/89/85/570668985.db2.gz QUJCAVCRFIZXIQ-XNTDXEJSSA-N 0 0 361.875 4.754 40 10 FJCBRN O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1 ZINC000005006225 570675011 /nfs/dbraw/zinc/67/50/11/570675011.db2.gz JRJHHIAEPKCTCE-YUDPATCQSA-N 0 0 368.439 4.557 40 10 FJCBRN COc1ccc(C2=C/C(=C\c3c(O)ccc4ccccc43)C(=O)O2)c(OC)c1 ZINC000408723440 570678280 /nfs/dbraw/zinc/67/82/80/570678280.db2.gz UVHSTGJGBGKQIN-RVDMUPIBSA-N 0 0 374.392 4.544 40 10 FJCBRN Cc1ccc(NN=C2C=CC(=O)C(C=C3SC(=O)NC3=O)=C2)cc1C ZINC000408725504 570679428 /nfs/dbraw/zinc/67/94/28/570679428.db2.gz KVLLONSAZFZOEQ-UKAHEONWSA-N 0 0 353.403 4.748 40 10 FJCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408767714 570680820 /nfs/dbraw/zinc/68/08/20/570680820.db2.gz GLSDPQLUENAVCW-UNOMPAQXSA-N 0 0 355.478 4.529 40 10 FJCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000408769247 570685127 /nfs/dbraw/zinc/68/51/27/570685127.db2.gz MDKGCPUTKKKVHU-UHFFFAOYSA-N 0 0 373.408 4.589 40 10 FJCBRN COc1cccc(/C=C2/N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)c1 ZINC000408757054 570690410 /nfs/dbraw/zinc/69/04/10/570690410.db2.gz ZKGUPRDWVUUVND-CJLVFECKSA-N 0 0 368.436 4.838 40 10 FJCBRN O=C1/C(=C\c2ccc(N3CCCCC3)o2)SC(=S)N1c1ccccc1 ZINC000408902796 570697590 /nfs/dbraw/zinc/69/75/90/570697590.db2.gz RNQYNGUQRZKADK-DTQAZKPQSA-N 0 0 370.499 4.676 40 10 FJCBRN O=C(Oc1ccc2nc3ccc4ccccc4c3nc2c1)c1cccnc1 ZINC000408975062 570705916 /nfs/dbraw/zinc/70/59/16/570705916.db2.gz JKPCJSZMCDNHBO-UHFFFAOYSA-N 0 0 351.365 4.550 40 10 FJCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000012112955 570718417 /nfs/dbraw/zinc/71/84/17/570718417.db2.gz FJWYEZWWVTWYCH-AQTBWJFISA-N 0 0 370.449 4.913 40 10 FJCBRN CN(C)c1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409068264 570718704 /nfs/dbraw/zinc/71/87/04/570718704.db2.gz KYXHBMVTFLAWDN-WJDWOHSUSA-N 0 0 358.850 4.647 40 10 FJCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000409150560 570732413 /nfs/dbraw/zinc/73/24/13/570732413.db2.gz CRFMYCOVXFREOX-SIFCLUCFSA-N 0 0 364.401 4.516 40 10 FJCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@H]21 ZINC000409158845 570733288 /nfs/dbraw/zinc/73/32/88/570733288.db2.gz LWHGNEJRXGHHKE-WVQJBOLRSA-N 0 0 371.780 4.983 40 10 FJCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OC)N2 ZINC000409174788 570735546 /nfs/dbraw/zinc/73/55/46/570735546.db2.gz OWSGSYPGBGGGKT-NQCMUKECSA-N 0 0 369.848 4.962 40 10 FJCBRN O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1cccc(F)c1 ZINC000409327396 570749976 /nfs/dbraw/zinc/74/99/76/570749976.db2.gz JKZNIGFQUAOGLN-AUWJEWJLSA-N 0 0 365.838 4.591 40 10 FJCBRN COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1 ZINC000409341964 570751199 /nfs/dbraw/zinc/75/11/99/570751199.db2.gz DAXMPESYZWOPPE-MHWRWJLKSA-N 0 0 373.524 4.823 40 10 FJCBRN CC(Nc1ccc(Br)cc1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000112118555 570810986 /nfs/dbraw/zinc/81/09/86/570810986.db2.gz KYVIDKKROOOZGC-ATVHPVEESA-N 0 0 370.250 4.558 40 10 FJCBRN CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O ZINC000260562493 570818142 /nfs/dbraw/zinc/81/81/42/570818142.db2.gz AKZJPEQLIYJULL-OMJMQIJPSA-N 0 0 358.507 4.773 40 10 FJCBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000014472772 570855531 /nfs/dbraw/zinc/85/55/31/570855531.db2.gz ZYQLQESTJXCSGW-FHSNZYRGSA-N 0 0 371.780 4.983 40 10 FJCBRN CC(NC1CCCCC1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017074152 570869193 /nfs/dbraw/zinc/86/91/93/570869193.db2.gz CRYUPKQXGWGUIR-FXBPSFAMSA-N 0 0 359.473 4.634 40 10 FJCBRN Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260577969 570871232 /nfs/dbraw/zinc/87/12/32/570871232.db2.gz QCYMIRAUZMHSMK-RBUKOAKNSA-N 0 0 350.506 4.651 40 10 FJCBRN C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000224439535 570989260 /nfs/dbraw/zinc/98/92/60/570989260.db2.gz QPWPDKCOCUFIJE-QGZVFWFLSA-N 0 0 370.924 4.996 40 10 FJCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000225536630 571044150 /nfs/dbraw/zinc/04/41/50/571044150.db2.gz YYVFKMCUPXAGRG-UHFFFAOYSA-N 0 0 368.521 4.526 40 10 FJCBRN CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225695705 571056471 /nfs/dbraw/zinc/05/64/71/571056471.db2.gz PFZQUTCBAKQKRG-INIZCTEOSA-N 0 0 369.534 4.733 40 10 FJCBRN C[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCCC2)cc1 ZINC000225695428 571056497 /nfs/dbraw/zinc/05/64/97/571056497.db2.gz RFMUPNUYHRCIHO-ZDUSSCGKSA-N 0 0 361.461 4.613 40 10 FJCBRN CCN(CCCNC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1 ZINC000225732654 571059934 /nfs/dbraw/zinc/05/99/34/571059934.db2.gz ATAIMCXZRKBRPY-UHFFFAOYSA-N 0 0 355.551 4.815 40 10 FJCBRN CCOc1ccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)cc1 ZINC000225733141 571060372 /nfs/dbraw/zinc/06/03/72/571060372.db2.gz 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CC1=NN(c2ccccc2)C(=O)C1=C(Nc1ccccc1N)c1ccccc1 ZINC000100989604 222258885 /nfs/dbraw/zinc/25/88/85/222258885.db2.gz VPMWDTJUYJAXMU-DQRAZIAOSA-N 0 0 368.440 4.515 40 10 FJCBRN CCOc1c(/N=N\c2ccccc2OCC)c(C)nn1C(=S)SC ZINC000104241095 222353804 /nfs/dbraw/zinc/35/38/04/222353804.db2.gz SSAVLSHAEKKQHV-ZCXUNETKSA-N 0 0 364.496 4.900 40 10 FJCBRN COc1ccc(-c2nc(Nc3cc(OC)ccc3OC)sc2C)cc1 ZINC000005739564 263342888 /nfs/dbraw/zinc/34/28/88/263342888.db2.gz XNXAXGWQOLISLZ-UHFFFAOYSA-N 0 0 356.447 4.888 40 10 FJCBRN COc1ccc(NC2=NC(=O)C(=Cc3cccc4ccccc34)S2)cc1 ZINC000007275661 263349587 /nfs/dbraw/zinc/34/95/87/263349587.db2.gz PRJQLKORJHGGCI-UYRXBGFRSA-N 0 0 360.438 4.931 40 10 FJCBRN CC(Nc1ccccc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017076075 263372360 /nfs/dbraw/zinc/37/23/60/263372360.db2.gz AJPZNPHPGRTCRC-PGMHBOJBSA-N 0 0 371.415 4.963 40 10 FJCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058929102 263416366 /nfs/dbraw/zinc/41/63/66/263416366.db2.gz COTOOUWIOBSCKX-IGCXYCKISA-N 0 0 371.780 4.983 40 10 FJCBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(N2CCCC2)cc1 ZINC000059186091 263417340 /nfs/dbraw/zinc/41/73/40/263417340.db2.gz OHGJVODWXZQZBG-BOPFTXTBSA-N 0 0 358.363 4.798 40 10 FJCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCc1ccc(Cl)cc1 ZINC000103917839 263445153 /nfs/dbraw/zinc/44/51/53/263445153.db2.gz QEPKCPYWJBBYMP-HKWRFOASSA-N 0 0 367.880 4.907 40 10 FJCBRN CC(NCc1ccccc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000112117827 263451970 /nfs/dbraw/zinc/45/19/70/263451970.db2.gz GAUKZVYHTOBQDR-PYCFMQQDSA-N 0 0 367.452 4.501 40 10 FJCBRN Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408842760 263500826 /nfs/dbraw/zinc/50/08/26/263500826.db2.gz KQSQMMRECUDCKL-KGENOOAVSA-N 0 0 372.399 4.674 40 10 FJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000408895648 263505610 /nfs/dbraw/zinc/50/56/10/263505610.db2.gz VAPIUKXUDBHWPA-PDGQHHTCSA-N 0 0 367.832 4.526 40 10 FJCBRN COc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000409034037 263519095 /nfs/dbraw/zinc/51/90/95/263519095.db2.gz GKFKTCWKLPESNY-YVLHZVERSA-N 0 0 357.500 4.706 40 10 FJCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000409152556 263534183 /nfs/dbraw/zinc/53/41/83/263534183.db2.gz JHNXPGDMKYHUMF-ARGWCVDVSA-N 0 0 364.401 4.516 40 10 FJCBRN CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O ZINC000208511629 535435159 /nfs/dbraw/zinc/43/51/59/535435159.db2.gz AYLAKRJCOZMHGT-BOPFTXTBSA-N 0 0 356.491 4.765 40 10 FJCBRN COc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)cc1 ZINC000216726343 568136755 /nfs/dbraw/zinc/13/67/55/568136755.db2.gz NXYWCWKFXPQKKK-FQEVSTJZSA-N 0 0 354.837 4.675 40 10 FJCBRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000222587432 568542747 /nfs/dbraw/zinc/54/27/47/568542747.db2.gz LZATWTCDZBPIIV-LJQANCHMSA-N 0 0 374.912 4.660 40 10 FJCBRN Cc1cc(CO)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000034772784 570437850 /nfs/dbraw/zinc/43/78/50/570437850.db2.gz KBTKOELABJZOAX-UHFFFAOYSA-N 0 0 354.431 4.646 40 10 FJCBRN Cc1ccc(C(=O)N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000001507455 570501314 /nfs/dbraw/zinc/50/13/14/570501314.db2.gz ZKEIFWXXXHEPHS-WIXUPIFPSA-N 0 0 365.479 4.593 40 10 FJCBRN Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072216858 570534037 /nfs/dbraw/zinc/53/40/37/570534037.db2.gz MICOFGVKDDVPDL-NRFANRHFSA-N 0 0 359.473 4.857 40 10 FJCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2F)c1 ZINC000408759499 570619188 /nfs/dbraw/zinc/61/91/88/570619188.db2.gz GDCYKWNWNMPGGL-RCCKNPSSSA-N 0 0 356.400 4.969 40 10 FJCBRN CC(=O)c1cccc(N2C(=O)C(=Cc3cccc(C)c3)SC2=S)c1 ZINC000005371157 570624286 /nfs/dbraw/zinc/62/42/86/570624286.db2.gz CJNUPGHHDVACGD-YVLHZVERSA-N 0 0 353.468 4.603 40 10 FJCBRN CCCCc1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 ZINC000005371636 570624357 /nfs/dbraw/zinc/62/43/57/570624357.db2.gz OZUVMERGSLYYMA-GHRIWEEISA-N 0 0 356.516 4.774 40 10 FJCBRN Cc1ccc(NC2=NC(=O)C(=Cc3cc4ccccc4n3C)S2)cc1C ZINC000005374363 570625139 /nfs/dbraw/zinc/62/51/39/570625139.db2.gz OHUOMICMZHNEFY-XDHOZWIPSA-N 0 0 361.470 4.878 40 10 FJCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1C ZINC000005375072 570625174 /nfs/dbraw/zinc/62/51/74/570625174.db2.gz RCUQHQOVHRYVFC-YVLHZVERSA-N 0 0 353.468 4.522 40 10 FJCBRN CCc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000005551898 570630372 /nfs/dbraw/zinc/63/03/72/570630372.db2.gz CWBILTVBECMBQG-WJDWOHSUSA-N 0 0 370.455 4.563 40 10 FJCBRN COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccccc3)C2=O)cc1 ZINC000408763977 570680681 /nfs/dbraw/zinc/68/06/81/570680681.db2.gz HLPNPPDNOHURHE-CJLVFECKSA-N 0 0 368.436 4.838 40 10 FJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1 ZINC000408767459 570680914 /nfs/dbraw/zinc/68/09/14/570680914.db2.gz XWHNDRNPGNSOJK-HMMYKYKNSA-N 0 0 358.397 4.513 40 10 FJCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408811906 570689046 /nfs/dbraw/zinc/68/90/46/570689046.db2.gz NAAGHUKHAUEBRN-SXGWCWSVSA-N 0 0 360.866 4.722 40 10 FJCBRN COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1c1cccc(C)c1 ZINC000408839913 570690756 /nfs/dbraw/zinc/69/07/56/570690756.db2.gz BIRDECYUUVCPHU-LTGZKZEYSA-N 0 0 368.436 4.838 40 10 FJCBRN O=C1/C(=C\c2ccco2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408755940 570690835 /nfs/dbraw/zinc/69/08/35/570690835.db2.gz PXYXQBFYWQKBJQ-LDADJPATSA-N 0 0 366.779 4.907 40 10 FJCBRN Cc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408843459 570692110 /nfs/dbraw/zinc/69/21/10/570692110.db2.gz MUFPTRRWNLTZIO-RCCKNPSSSA-N 0 0 356.400 4.969 40 10 FJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000408894567 570695551 /nfs/dbraw/zinc/69/55/51/570695551.db2.gz RGNUJZFXLQTDML-PDGQHHTCSA-N 0 0 367.832 4.526 40 10 FJCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(O)cc1 ZINC000408901563 570696179 /nfs/dbraw/zinc/69/61/79/570696179.db2.gz GKVMOAYPJYXCJR-HYARGMPZSA-N 0 0 371.440 4.606 40 10 FJCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Cl)cc1OC ZINC000408904119 570696593 /nfs/dbraw/zinc/69/65/93/570696593.db2.gz FAHYZDIWLATGCB-MHWRWJLKSA-N 0 0 370.836 4.553 40 10 FJCBRN CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1Cl ZINC000408972481 570704618 /nfs/dbraw/zinc/70/46/18/570704618.db2.gz COSUEIQXLFFMFC-LGMDPLHJSA-N 0 0 373.880 4.735 40 10 FJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(C)cc1C ZINC000408967950 570705087 /nfs/dbraw/zinc/70/50/87/570705087.db2.gz YFRHALQOMREFRY-QNGOZBTKSA-N 0 0 355.441 4.900 40 10 FJCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O ZINC000409015288 570713418 /nfs/dbraw/zinc/71/34/18/570713418.db2.gz ZHUCEYFCBXCZJH-VVBXCHJUSA-N 0 0 369.490 4.632 40 10 FJCBRN CCc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409053499 570716308 /nfs/dbraw/zinc/71/63/08/570716308.db2.gz YWVTVTCAYZLFSF-PDGQHHTCSA-N 0 0 353.512 4.959 40 10 FJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CC)cc1 ZINC000409062337 570717501 /nfs/dbraw/zinc/71/75/01/570717501.db2.gz SCKIRPXZTSHXIG-HKWRFOASSA-N 0 0 361.441 4.516 40 10 FJCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 ZINC000409155227 570733775 /nfs/dbraw/zinc/73/37/75/570733775.db2.gz COTOOUWIOBSCKX-DCGLDWPTSA-N 0 0 371.780 4.983 40 10 FJCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000409171162 570735100 /nfs/dbraw/zinc/73/51/00/570735100.db2.gz YIQBLUYABPJBAK-JXXFODFXSA-N 0 0 364.401 4.516 40 10 FJCBRN Cc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)n1 ZINC000409328760 570750356 /nfs/dbraw/zinc/75/03/56/570750356.db2.gz AMCDRPKWTJLOHW-PDGQHHTCSA-N 0 0 362.479 4.949 40 10 FJCBRN Cc1ccc(C2=NN[C@](C(=O)c3ccccc3)(c3ccccc3)S2)cc1 ZINC000005745647 570777259 /nfs/dbraw/zinc/77/72/59/570777259.db2.gz DONZAYSRRGJTGV-JOCHJYFZSA-N 0 0 358.466 4.729 40 10 FJCBRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000225274147 571025281 /nfs/dbraw/zinc/02/52/81/571025281.db2.gz KXEFAILIWKWXHU-OAQYLSRUSA-N 0 0 368.521 4.623 40 10 FJCBRN CCN(CC)c1ccc(CNC(=O)c2ccccc2SC(C)C)cc1 ZINC000225397162 571033269 /nfs/dbraw/zinc/03/32/69/571033269.db2.gz BRWQWSSSLVIMNW-UHFFFAOYSA-N 0 0 356.535 4.963 40 10 FJCBRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1 ZINC000225694004 571056245 /nfs/dbraw/zinc/05/62/45/571056245.db2.gz RBVXELFLXJNXLN-AWEZNQCLSA-N 0 0 359.926 4.988 40 10 FJCBRN C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCCC2)cc1 ZINC000225695135 571056540 /nfs/dbraw/zinc/05/65/40/571056540.db2.gz VPRDMOYWJAYVFX-ZDUSSCGKSA-N 0 0 361.461 4.613 40 10 FJCBRN CCN(CCCNC(=S)Nc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000225732874 571060443 /nfs/dbraw/zinc/06/04/43/571060443.db2.gz LVXJFHZMLKXTCH-UHFFFAOYSA-N 0 0 361.942 4.851 40 10 FJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc1OC ZINC000006554498 571071330 /nfs/dbraw/zinc/07/13/30/571071330.db2.gz VZAKMLCBNXIIIB-PTNGSMBKSA-N 0 0 370.836 4.553 40 10 FJCBRN CCOc1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 ZINC000095912898 571071336 /nfs/dbraw/zinc/07/13/36/571071336.db2.gz POSDVMPHONIUJV-NRFANRHFSA-N 0 0 371.440 4.936 40 10 FJCBRN CC[C@H](C)Oc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cccc1OC ZINC000033911207 571085669 /nfs/dbraw/zinc/08/56/69/571085669.db2.gz 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