smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000000028964 563970359 /nfs/dbraw/zinc/97/03/59/563970359.db2.gz QTCBVCMEJTUCSW-VKJFTORMSA-N 0 0 326.783 5.075 50 10 EKCARN Oc1c([C@@H](Nc2ccccc2)c2ccccc2)ccc2cccnc21 ZINC000000037822 563970900 /nfs/dbraw/zinc/97/09/00/563970900.db2.gz OTNAVATYWOEDMK-FQEVSTJZSA-N 0 0 326.399 5.142 50 10 EKCARN Oc1c([C@H](Nc2ccccc2)c2ccccc2)ccc2cccnc21 ZINC000000037823 205397711 /nfs/dbraw/zinc/39/77/11/205397711.db2.gz OTNAVATYWOEDMK-HXUWFJFHSA-N 0 0 326.399 5.142 50 10 EKCARN Oc1ccc(Br)cc1CNc1cc(Cl)cc(Cl)c1 ZINC000000040889 563212705 /nfs/dbraw/zinc/21/27/05/563212705.db2.gz DLEAMTFAGKHVJR-UHFFFAOYSA-N 0 0 347.039 5.074 50 10 EKCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccccc2F)C(=O)C1 ZINC000000058470 209394607 /nfs/dbraw/zinc/39/46/07/209394607.db2.gz UMSRVYBCPUTNGK-UHFFFAOYSA-N 0 0 333.406 5.439 50 10 EKCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccc(F)cc2)C(=O)C1 ZINC000000059882 209394717 /nfs/dbraw/zinc/39/47/17/209394717.db2.gz VCNOGUAJFDZNEZ-UHFFFAOYSA-N 0 0 333.406 5.439 50 10 EKCARN COc1ccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000000060355 209394558 /nfs/dbraw/zinc/39/45/58/209394558.db2.gz LNGJYRFOURFRFZ-UHFFFAOYSA-N 0 0 345.442 5.308 50 10 EKCARN O=C1c2ccccc2-c2nnc(-c3ccc(-c4ccccc4)cc3)cc21 ZINC000000062970 209395457 /nfs/dbraw/zinc/39/54/57/209395457.db2.gz LLOMPWIJBMCGQX-UHFFFAOYSA-N 0 0 334.378 5.022 50 10 EKCARN Fc1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 ZINC000000081170 563974831 /nfs/dbraw/zinc/97/48/31/563974831.db2.gz ADLLQAZLWSMOCI-VEVIJQCQSA-N 0 0 344.227 5.415 50 10 EKCARN Fc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000000083638 563974860 /nfs/dbraw/zinc/97/48/60/563974860.db2.gz ZJOZRARVXSEVIT-JKIFEVAISA-N 0 0 344.227 5.415 50 10 EKCARN C[C@@H](c1ccccc1)n1c2ccccc2nc1-c1ccc(N(C)C)cc1 ZINC000000104798 563227181 /nfs/dbraw/zinc/22/71/81/563227181.db2.gz BMRUKUAEFOSVIF-KRWDZBQOSA-N 0 0 341.458 5.379 50 10 EKCARN C[C@H](c1ccccc1)n1c2ccccc2nc1-c1ccc(N(C)C)cc1 ZINC000000104807 563227252 /nfs/dbraw/zinc/22/72/52/563227252.db2.gz BMRUKUAEFOSVIF-QGZVFWFLSA-N 0 0 341.458 5.379 50 10 EKCARN Cc1ccc(C)n1-c1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1 ZINC000000112244 563230532 /nfs/dbraw/zinc/23/05/32/563230532.db2.gz APPWCYNGLIEMOC-UHFFFAOYSA-N 0 0 349.522 5.875 50 10 EKCARN Cc1c(C(=O)Nc2ccccc2)cc(C(C)(C)C)n1-c1ccccc1 ZINC000000113726 563230691 /nfs/dbraw/zinc/23/06/91/563230691.db2.gz JUVPRAFZHWCWDR-UHFFFAOYSA-N 0 0 332.447 5.336 50 10 EKCARN Cc1c(C(=O)Nc2ccc(C)cc2)cc(C(C)(C)C)n1-c1ccccc1 ZINC000000113732 563230722 /nfs/dbraw/zinc/23/07/22/563230722.db2.gz LXLZHUILFLWAPX-UHFFFAOYSA-N 0 0 346.474 5.644 50 10 EKCARN Cc1c(C(=O)Nc2ccccc2C)cc(C(C)(C)C)n1-c1ccccc1 ZINC000000113734 563230710 /nfs/dbraw/zinc/23/07/10/563230710.db2.gz VZDSFTVXXHBGAU-UHFFFAOYSA-N 0 0 346.474 5.644 50 10 EKCARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C ZINC000000113747 563230678 /nfs/dbraw/zinc/23/06/78/563230678.db2.gz RYNBQQWODYCGRR-UHFFFAOYSA-N 0 0 339.822 5.283 50 10 EKCARN Cc1c(C(=O)N2CCCCC2)cc(-c2ccccc2)n1-c1ccccc1 ZINC000000113801 209429179 /nfs/dbraw/zinc/42/91/79/209429179.db2.gz QNYLKRQOMHSZHX-UHFFFAOYSA-N 0 0 344.458 5.079 50 10 EKCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCc1ccc(Cl)cc1 ZINC000000128755 209438807 /nfs/dbraw/zinc/43/88/07/209438807.db2.gz OXSRURMTVPFJGM-UHFFFAOYSA-N 0 0 349.286 5.686 50 10 EKCARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1cccc2ccccc12 ZINC000000140534 209446105 /nfs/dbraw/zinc/44/61/05/209446105.db2.gz JCPKVJOOQZTOQJ-PDGQHHTCSA-N 0 0 348.402 5.061 50 10 EKCARN Cc1ccc(C)n1-c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000000173104 563252237 /nfs/dbraw/zinc/25/22/37/563252237.db2.gz JIIBPDNQYCXJTK-UHFFFAOYSA-N 0 0 342.236 5.649 50 10 EKCARN Oc1ccc2ccccc2c1CNc1nc(-c2ccccc2)cs1 ZINC000000174519 563252721 /nfs/dbraw/zinc/25/27/21/563252721.db2.gz HSAWOLLRYRFJIX-UHFFFAOYSA-N 0 0 332.428 5.281 50 10 EKCARN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000000181045 563254093 /nfs/dbraw/zinc/25/40/93/563254093.db2.gz OAORQAINFAGFIL-TYILLQQXSA-N 0 0 346.257 5.829 50 10 EKCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccc(Cl)cc2)C(=O)C1 ZINC000000184091 563255259 /nfs/dbraw/zinc/25/52/59/563255259.db2.gz MBGMZKBHLBAAKW-UHFFFAOYSA-N 0 0 349.861 5.953 50 10 EKCARN S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCCCC1 ZINC000000189860 563987945 /nfs/dbraw/zinc/98/79/45/563987945.db2.gz XZNIHWUEFYUQCG-UHFFFAOYSA-N 0 0 340.275 5.415 50 10 EKCARN COc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 ZINC000000197860 563258412 /nfs/dbraw/zinc/25/84/12/563258412.db2.gz HUEJRZIDSOSUHH-IUUKEHGRSA-N 0 0 346.257 5.829 50 10 EKCARN Fc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000000197866 201446989 /nfs/dbraw/zinc/44/69/89/201446989.db2.gz SVIXQZGYDRQRMJ-AHIWAGSCSA-N 0 0 334.221 5.959 50 10 EKCARN Fc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000197877 563988275 /nfs/dbraw/zinc/98/82/75/563988275.db2.gz VSARUIOGNCPGGS-DAYGRLMNSA-N 0 0 344.227 5.415 50 10 EKCARN Fc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000197894 209478457 /nfs/dbraw/zinc/47/84/57/209478457.db2.gz IFPNQZNVTLNVKT-VBQJREDUSA-N 0 0 334.221 5.959 50 10 EKCARN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C/c1ccco1 ZINC000000200039 563258743 /nfs/dbraw/zinc/25/87/43/563258743.db2.gz OLRVKWLSMSMVSE-SSZFMOIBSA-N 0 0 330.339 5.053 50 10 EKCARN Cc1ccc(-c2nc3c(C)cccn3c2Nc2ccc(C(C)C)cc2)o1 ZINC000000201165 563988370 /nfs/dbraw/zinc/98/83/70/563988370.db2.gz MGLKUDCULKJUGL-UHFFFAOYSA-N 0 0 345.446 6.078 50 10 EKCARN Cc1ccc(-c2nc3c(C)cccn3c2Nc2c(C)cccc2C)o1 ZINC000000201167 563988383 /nfs/dbraw/zinc/98/83/83/563988383.db2.gz QLNBKQCMJMOFHP-UHFFFAOYSA-N 0 0 331.419 5.572 50 10 EKCARN Cc1cccn2c1nc(-c1ccccn1)c2Nc1ccc(C(C)C)cc1 ZINC000000201169 563988365 /nfs/dbraw/zinc/98/83/65/563988365.db2.gz SLTIWWHPZXONNJ-UHFFFAOYSA-N 0 0 342.446 5.572 50 10 EKCARN Cc1cccn2c1nc(-c1ccccn1)c2Nc1c(C)cccc1C ZINC000000201172 563988359 /nfs/dbraw/zinc/98/83/59/563988359.db2.gz UUJCCYUBRXDUEN-UHFFFAOYSA-N 0 0 328.419 5.065 50 10 EKCARN Cc1cccn2c1nc(-c1ccco1)c2Nc1ccc(C(C)C)cc1 ZINC000000201176 563988391 /nfs/dbraw/zinc/98/83/91/563988391.db2.gz ILNSTGZEWOMVBC-UHFFFAOYSA-N 0 0 331.419 5.770 50 10 EKCARN CC(C)c1ccc(Nc2c(-c3ccccn3)nc3ccccn32)cc1 ZINC000000201184 563988378 /nfs/dbraw/zinc/98/83/78/563988378.db2.gz IORGVLFNNYMMSI-UHFFFAOYSA-N 0 0 328.419 5.263 50 10 EKCARN Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)o1 ZINC000000201202 563997691 /nfs/dbraw/zinc/99/76/91/563997691.db2.gz FQKUUMUHACXDAS-UHFFFAOYSA-N 0 0 337.810 5.608 50 10 EKCARN Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(C)cc2)o1 ZINC000000201203 563988363 /nfs/dbraw/zinc/98/83/63/563988363.db2.gz OUGYLEJNBJDYKH-UHFFFAOYSA-N 0 0 337.810 5.608 50 10 EKCARN Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(F)cc2)o1 ZINC000000201205 563997671 /nfs/dbraw/zinc/99/76/71/563997671.db2.gz PMOLGDINPGZZAT-UHFFFAOYSA-N 0 0 341.773 5.439 50 10 EKCARN Cc1ccccc1Nc1c(-c2ccccn2)nc2ccc(Cl)cn21 ZINC000000201206 209480354 /nfs/dbraw/zinc/48/03/54/209480354.db2.gz URIJSQKQBIFLLA-UHFFFAOYSA-N 0 0 334.810 5.102 50 10 EKCARN Cc1ccc(Nc2c(-c3ccccn3)nc3ccc(Cl)cn32)cc1 ZINC000000201207 209481173 /nfs/dbraw/zinc/48/11/73/209481173.db2.gz PRTLUAWESRXQKJ-UHFFFAOYSA-N 0 0 334.810 5.102 50 10 EKCARN Cc1cccc(C)c1Nc1c(-c2ccccn2)nc2ccc(Cl)cn21 ZINC000000201208 563988376 /nfs/dbraw/zinc/98/83/76/563988376.db2.gz APGJEXWCAFUMQS-UHFFFAOYSA-N 0 0 348.837 5.410 50 10 EKCARN Cc1cccc(C)c1Nc1c(-c2ccco2)nc2ccc(Cl)cn21 ZINC000000201210 563988361 /nfs/dbraw/zinc/98/83/61/563988361.db2.gz VAKCYIHDVFJHOL-UHFFFAOYSA-N 0 0 337.810 5.608 50 10 EKCARN COc1ccccc1CNc1ccc2c(c1)ncn2C1CCCCC1 ZINC000000204081 563259337 /nfs/dbraw/zinc/25/93/37/563259337.db2.gz XYSMDOXKQNDQIT-UHFFFAOYSA-N 0 0 335.451 5.162 50 10 EKCARN COc1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1 ZINC000000204089 563988350 /nfs/dbraw/zinc/98/83/50/563988350.db2.gz HUAAGNQVAWWPLR-UHFFFAOYSA-N 0 0 335.451 5.162 50 10 EKCARN CCOC(=O)c1c(C)sc2c1Nc1cc(Cl)ccc1S2 ZINC000000227017 563988951 /nfs/dbraw/zinc/98/89/51/563988951.db2.gz ZPHLCIOIHIZHKI-UHFFFAOYSA-N 0 0 325.842 5.095 50 10 EKCARN Cc1ccccc1NCc1c(O)ccc2cc(Br)ccc21 ZINC000000227388 563989038 /nfs/dbraw/zinc/98/90/38/563989038.db2.gz BMYAUIBRSJJCLM-UHFFFAOYSA-N 0 0 342.236 5.228 50 10 EKCARN Brc1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000000228763 209496211 /nfs/dbraw/zinc/49/62/11/209496211.db2.gz YSRRRCGJBGQBDM-UHFFFAOYSA-N 0 0 325.209 5.139 50 10 EKCARN Brc1ccc(C2Nc3cccc4cccc(c43)N2)s1 ZINC000000232261 563263737 /nfs/dbraw/zinc/26/37/37/563263737.db2.gz SMABEUWQIVNBPR-UHFFFAOYSA-N 0 0 331.238 5.200 50 10 aggregator EKCARN Cc1ccc(-n2cnc3cc(NCc4ccc(Cl)cc4)ccc32)cc1 ZINC000000233944 563989031 /nfs/dbraw/zinc/98/90/31/563989031.db2.gz GLNSAOTWGWQURG-UHFFFAOYSA-N 0 0 347.849 5.599 50 10 EKCARN CC(C)(C)n1cnc2cc(NCc3cccc4ccccc43)ccc21 ZINC000000249584 563989457 /nfs/dbraw/zinc/98/94/57/563989457.db2.gz DUIFDPYZTSTBSC-UHFFFAOYSA-N 0 0 329.447 5.557 50 10 EKCARN Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 ZINC000000257979 563267852 /nfs/dbraw/zinc/26/78/52/563267852.db2.gz SIBQPRMYIDHIQZ-OGIUKLMXSA-N 0 0 330.269 5.259 50 10 EKCARN Cc1ccc(Sc2ccc3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000000262410 563268645 /nfs/dbraw/zinc/26/86/45/563268645.db2.gz XFRAUAAVDZSDNV-UHFFFAOYSA-N 0 0 343.407 5.499 50 10 EKCARN O=C1c2ccccc2-c2onc3ccc(Nc4ccc(Cl)cc4)c1c32 ZINC000000262418 563268665 /nfs/dbraw/zinc/26/86/65/563268665.db2.gz HLORSWZQASTNNE-UHFFFAOYSA-N 0 0 346.773 5.436 50 10 EKCARN Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000000264274 209510144 /nfs/dbraw/zinc/51/01/44/209510144.db2.gz MYYNCBWMQYJPGO-VBHSOAQHSA-N 0 0 331.246 5.402 50 10 EKCARN Cc1ccccc1Nc1ccc2noc3c2c1C(=O)c1ccccc1-3 ZINC000000265959 201454381 /nfs/dbraw/zinc/45/43/81/201454381.db2.gz CYJXLSBGNCDSAK-UHFFFAOYSA-N 0 0 326.355 5.091 50 10 EKCARN Cc1ccc2n1CCn1cc(-c3ccc(Br)cc3)c(C)c1-2 ZINC000000271219 563269569 /nfs/dbraw/zinc/26/95/69/563269569.db2.gz OXYSNZOUDBEMEB-UHFFFAOYSA-N 0 0 341.252 5.017 50 10 EKCARN Oc1ccc(-c2nc3ccc4ccccc4c3c3c2CCCC3)cc1O ZINC000000275239 563990098 /nfs/dbraw/zinc/99/00/98/563990098.db2.gz IMWNOAJRQNURFJ-UHFFFAOYSA-N 0 0 341.410 5.345 50 10 EKCARN S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCCC1 ZINC000000283793 209517527 /nfs/dbraw/zinc/51/75/27/209517527.db2.gz MWMZGOSRVSQKAC-UHFFFAOYSA-N 0 0 340.275 5.415 50 10 EKCARN Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000000296137 209521727 /nfs/dbraw/zinc/52/17/27/209521727.db2.gz BVWHDELMXLOWLL-SOZUMNATSA-N 0 0 331.246 5.402 50 10 EKCARN CC1=NN(c2ccccc2)C(=S)C1=CNc1c(C)cc(C)cc1C ZINC000000296384 209521542 /nfs/dbraw/zinc/52/15/42/209521542.db2.gz CPWPBNUGAVTEDI-LDADJPATSA-N 0 0 335.476 5.131 50 10 EKCARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000000302464 563990860 /nfs/dbraw/zinc/99/08/60/563990860.db2.gz AKDONNMSBGSFAF-FHSNZYRGSA-N 0 0 344.773 5.214 50 10 EKCARN COc1ccc(Cl)c2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000000302494 564116686 /nfs/dbraw/zinc/11/66/86/564116686.db2.gz JQRBCYRXMJSMHL-PMUMKWKESA-N 0 0 329.802 5.314 50 10 EKCARN Cc1ccc(NC(=S)Nc2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000000303059 563276364 /nfs/dbraw/zinc/27/63/64/563276364.db2.gz UQCPIMHCHGUORF-UHFFFAOYSA-N 0 0 346.455 5.035 50 10 EKCARN CCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000000308475 563279153 /nfs/dbraw/zinc/27/91/53/563279153.db2.gz SYPGMTTVMLIBER-QHCPKHFHSA-N 0 0 347.458 5.284 50 10 EKCARN CCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000000308477 563279184 /nfs/dbraw/zinc/27/91/84/563279184.db2.gz SYPGMTTVMLIBER-HSZRJFAPSA-N 0 0 347.458 5.284 50 10 EKCARN COc1cc(/C=C2\C=C(c3ccc(C(C)C)cc3)OC2=O)ccc1C ZINC000000320078 563996844 /nfs/dbraw/zinc/99/68/44/563996844.db2.gz PQUVXDGPJVJWPD-YBFXNURJSA-N 0 0 334.415 5.108 50 10 EKCARN Cc1cccc(-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)n1 ZINC000000320647 563991129 /nfs/dbraw/zinc/99/11/29/563991129.db2.gz OCFDIHYGYQKCIN-UHFFFAOYSA-N 0 0 336.483 5.331 50 10 EKCARN Cc1ccc2nc(-c3ccccn3)c(NC(C)(C)CC(C)(C)C)n2c1 ZINC000000320706 563991089 /nfs/dbraw/zinc/99/10/89/563991089.db2.gz QJGMIQTUOLFLKJ-UHFFFAOYSA-N 0 0 336.483 5.331 50 10 EKCARN Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000000333952 563285358 /nfs/dbraw/zinc/28/53/58/563285358.db2.gz UNOOVQMHDJJQBX-UHFFFAOYSA-N 0 0 339.822 5.139 50 10 EKCARN Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000000333955 209540579 /nfs/dbraw/zinc/54/05/79/209540579.db2.gz TVQHCDGRGDIRCP-UHFFFAOYSA-N 0 0 339.822 5.139 50 10 EKCARN COc1cccc(CNc2ccc3c(c2)ncn3C2CCCCC2)c1 ZINC000000350008 563289101 /nfs/dbraw/zinc/28/91/01/563289101.db2.gz FEYRNGBQGFMFNG-UHFFFAOYSA-N 0 0 335.451 5.162 50 10 EKCARN Oc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000000359730 563292870 /nfs/dbraw/zinc/29/28/70/563292870.db2.gz IZBIQMFFLMEQFH-UHFFFAOYSA-N 0 0 339.822 5.237 50 10 EKCARN Oc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000000359748 563292916 /nfs/dbraw/zinc/29/29/16/563292916.db2.gz LLFFNIRWYVHJGS-UHFFFAOYSA-N 0 0 339.822 5.237 50 10 EKCARN Oc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000000359758 563292842 /nfs/dbraw/zinc/29/28/42/563292842.db2.gz QWZNPWAJQMJTTR-UHFFFAOYSA-N 0 0 339.822 5.237 50 10 EKCARN Oc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 ZINC000000359760 201464099 /nfs/dbraw/zinc/46/40/99/201464099.db2.gz BGTSSWDXBZRGGB-UHFFFAOYSA-N 0 0 339.822 5.237 50 10 EKCARN Fc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 ZINC000000361410 257870305 /nfs/dbraw/zinc/87/03/05/257870305.db2.gz UTTKTVCBGPKFFE-GRDNDAEWSA-N 0 0 344.227 5.415 50 10 EKCARN CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000000368188 563297297 /nfs/dbraw/zinc/29/72/97/563297297.db2.gz ZVNCIGKEQFWBAM-XNTDXEJSSA-N 0 0 345.229 5.108 50 10 EKCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C)cc1 ZINC000000368479 563297310 /nfs/dbraw/zinc/29/73/10/563297310.db2.gz KGTQALRHKCVISG-OQLLNIDSSA-N 0 0 345.229 5.108 50 10 EKCARN Cc1ccc(-c2cccc(-n3c(C)ccc3-c3cccc(N)c3)c2)o1 ZINC000000377045 209559070 /nfs/dbraw/zinc/55/90/70/209559070.db2.gz FFZWVDVWORUZLB-UHFFFAOYSA-N 0 0 328.415 5.603 50 10 EKCARN Cc1ccc([C@H](NC(=O)CC(C)C)c2c(O)ccc3ccccc32)cc1 ZINC000000379089 563299755 /nfs/dbraw/zinc/29/97/55/563299755.db2.gz FKOJPBXMTMTTCN-QHCPKHFHSA-N 0 0 347.458 5.106 50 10 EKCARN Cc1ccc([C@@H](NC(=O)CC(C)C)c2c(O)ccc3ccccc32)cc1 ZINC000000379090 563299646 /nfs/dbraw/zinc/29/96/46/563299646.db2.gz FKOJPBXMTMTTCN-HSZRJFAPSA-N 0 0 347.458 5.106 50 10 EKCARN Cc1cc2c(n1-c1ccc(Oc3ccccc3)cc1)CC(C)(C)CC2=O ZINC000000384223 563301271 /nfs/dbraw/zinc/30/12/71/563301271.db2.gz VKRABNJZLAOVDY-UHFFFAOYSA-N 0 0 345.442 5.733 50 10 EKCARN Cc1ccc(C(=O)c2ccccc2NC(=S)Nc2ccccc2)cc1 ZINC000000385916 563302561 /nfs/dbraw/zinc/30/25/61/563302561.db2.gz GIRZDYXDQGRVAS-UHFFFAOYSA-N 0 0 346.455 5.035 50 10 EKCARN Cc1cccc2nc(-c3ccccn3)c(Nc3ccc(C(C)C)cc3)n21 ZINC000000426764 201470656 /nfs/dbraw/zinc/47/06/56/201470656.db2.gz GESCIFQLEVVTCP-UHFFFAOYSA-N 0 0 342.446 5.572 50 10 EKCARN Cc1cccc2nc(-c3ccco3)c(Nc3ccc(C(C)C)cc3)n21 ZINC000000426765 563998566 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Cc1ccn2c(c1)nc(-c1ccco1)c2Nc1ccc(C(C)C)cc1 ZINC000000426782 563998634 /nfs/dbraw/zinc/99/86/34/563998634.db2.gz YFBUZBVAYIQSSD-UHFFFAOYSA-N 0 0 331.419 5.770 50 10 EKCARN Cc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc(C(C)C)cc2)o1 ZINC000000426783 563998604 /nfs/dbraw/zinc/99/86/04/563998604.db2.gz UIXJANKTUCEIJV-UHFFFAOYSA-N 0 0 345.446 6.078 50 10 EKCARN Cc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(Cl)cc2)o1 ZINC000000426800 563998630 /nfs/dbraw/zinc/99/86/30/563998630.db2.gz UFTBXTUKAKCNAF-UHFFFAOYSA-N 0 0 337.810 5.608 50 10 EKCARN Cc1ccccc1Oc1ccc2noc3c2c1C(=O)c1ccccc1-3 ZINC000000433467 563311450 /nfs/dbraw/zinc/31/14/50/563311450.db2.gz FWXZUUTVRFUGJN-UHFFFAOYSA-N 0 0 327.339 5.140 50 10 EKCARN COc1ccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc1 ZINC000000434153 209598640 /nfs/dbraw/zinc/59/86/40/209598640.db2.gz UFNNRMXENBVSIJ-NDENLUEZSA-N 0 0 342.394 5.138 50 10 EKCARN COc1ccccc1/C=C1/C=C(c2ccc3cc(C)ccc3c2)OC1=O ZINC000000434188 563312176 /nfs/dbraw/zinc/31/21/76/563312176.db2.gz YEBVVVYFGRSLDZ-MOSHPQCFSA-N 0 0 342.394 5.138 50 10 EKCARN COc1cccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)c1 ZINC000000434244 564012589 /nfs/dbraw/zinc/01/25/89/564012589.db2.gz YKUSKZXNBUSMOQ-JAIQZWGSSA-N 0 0 342.394 5.138 50 10 EKCARN S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCCCC1 ZINC000000447567 563999662 /nfs/dbraw/zinc/99/96/62/563999662.db2.gz SFXIAQRTVLSMEJ-UHFFFAOYSA-N 0 0 340.275 5.415 50 10 in-vitro EKCARN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)c1ccco1 ZINC000000455956 258048371 /nfs/dbraw/zinc/04/83/71/258048371.db2.gz FLNOUSWYPHZPIM-UHFFFAOYSA-N 0 0 329.355 5.477 50 10 EKCARN CC(=O)c1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000000468780 564004739 /nfs/dbraw/zinc/00/47/39/564004739.db2.gz XNLLUKGSUWZNBI-GJYPPUQNSA-N 0 0 339.822 5.075 50 10 EKCARN O=C(Nc1cccc(N2Cc3ccccc3C2)c1)c1ccc(Cl)cc1 ZINC000000471403 563331541 /nfs/dbraw/zinc/33/15/41/563331541.db2.gz HCLBZEFWWICEDX-UHFFFAOYSA-N 0 0 348.833 5.113 50 10 EKCARN COc1ccc(Cl)c2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000000478679 564116729 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ZINC000000509450 564019927 /nfs/dbraw/zinc/01/99/27/564019927.db2.gz VUMCQDKYQCFZLL-UHFFFAOYSA-N 0 0 341.458 5.761 50 10 EKCARN CCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1 ZINC000000510252 209640186 /nfs/dbraw/zinc/64/01/86/209640186.db2.gz GEVNBPJZXLXWIE-UHFFFAOYSA-N 0 0 343.430 5.036 50 10 EKCARN Fc1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccc(F)cc2)cc1 ZINC000000548874 564022900 /nfs/dbraw/zinc/02/29/00/564022900.db2.gz UWIQWVBSRZOAEC-UHFFFAOYSA-N 0 0 338.401 6.070 50 10 EKCARN Cc1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000000549260 564022920 /nfs/dbraw/zinc/02/29/20/564022920.db2.gz HUMXPASVXGPBQJ-NRFANRHFSA-N 0 0 340.426 5.450 50 10 in-vitro EKCARN Cc1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000000549262 564022913 /nfs/dbraw/zinc/02/29/13/564022913.db2.gz HUMXPASVXGPBQJ-OAQYLSRUSA-N 0 0 340.426 5.450 50 10 in-vitro EKCARN CN(C)c1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1 ZINC000000549995 563344870 /nfs/dbraw/zinc/34/48/70/563344870.db2.gz OURYSUIEJJUHCI-UHFFFAOYSA-N 0 0 348.494 5.220 50 10 EKCARN CC(C)n1c2ccccc2nc1NCc1c(O)ccc2ccccc21 ZINC000000554304 564023062 /nfs/dbraw/zinc/02/30/62/564023062.db2.gz NWDDDNJZUJVTMY-UHFFFAOYSA-N 0 0 331.419 5.088 50 10 EKCARN Cc1sc(NCc2cc(Cl)ccc2O)nc1-c1ccc(F)cc1 ZINC000000563464 563347582 /nfs/dbraw/zinc/34/75/82/563347582.db2.gz ZWMRJIYAMJISGK-UHFFFAOYSA-N 0 0 348.830 5.229 50 10 EKCARN Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(C)c(C)c1 ZINC000000575014 564001838 /nfs/dbraw/zinc/00/18/38/564001838.db2.gz LSNFQPUKBQJVJH-FYJGNVAPSA-N 0 0 342.442 5.204 50 10 EKCARN Nc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000000612757 563355742 /nfs/dbraw/zinc/35/57/42/563355742.db2.gz RRIBPNBJIQVROP-UHFFFAOYSA-N 0 0 336.247 5.443 50 10 EKCARN COc1cccc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000000969718 209696890 /nfs/dbraw/zinc/69/68/90/209696890.db2.gz SKKQABGIWDFDEH-ZWCUEREDSA-N 0 0 327.427 5.675 50 10 EKCARN Cc1cc(C)c2c(c1)N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000000970501 563366672 /nfs/dbraw/zinc/36/66/72/563366672.db2.gz 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ZINC000001001035 209698656 /nfs/dbraw/zinc/69/86/56/209698656.db2.gz ZXXZLGOFTGGZOG-AQTBWJFISA-N 0 0 347.464 5.246 50 10 EKCARN Cc1cccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)c1C ZINC000001001713 563367772 /nfs/dbraw/zinc/36/77/72/563367772.db2.gz UUTSZPYYMUUYCP-UHFFFAOYSA-N 0 0 343.470 5.916 50 10 EKCARN O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1ccccc1 ZINC000001005527 209698749 /nfs/dbraw/zinc/69/87/49/209698749.db2.gz DRDRHPPOMAWDOA-AQTBWJFISA-N 0 0 347.464 5.246 50 10 EKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000001009745 564054058 /nfs/dbraw/zinc/05/40/58/564054058.db2.gz QJHVVYRAJSYOCQ-GDNBJRDFSA-N 0 0 345.876 5.054 50 10 EKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000001013844 563368647 /nfs/dbraw/zinc/36/86/47/563368647.db2.gz QTCBVCMEJTUCSW-DAYGRLMNSA-N 0 0 326.783 5.075 50 10 EKCARN Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000001017691 209701969 /nfs/dbraw/zinc/70/19/69/209701969.db2.gz OBNCSWAOEBOXHV-ZWCUEREDSA-N 0 0 331.846 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Brc1ccccc1C1Nc2cccc3cccc(c32)N1 ZINC000004133126 210128095 /nfs/dbraw/zinc/12/80/95/210128095.db2.gz JENNJSGVTKUMQP-UHFFFAOYSA-N 0 0 325.209 5.139 50 10 EKCARN Brc1cccc(C2Nc3cccc4cccc(c43)N2)c1 ZINC000004133161 210129734 /nfs/dbraw/zinc/12/97/34/210129734.db2.gz XJCHTIZCYSTVTG-UHFFFAOYSA-N 0 0 325.209 5.139 50 10 EKCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000004140483 210131493 /nfs/dbraw/zinc/13/14/93/210131493.db2.gz OXQOEHFBIMXJJM-QEEYODRMSA-N 0 0 325.839 5.565 50 10 EKCARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000004140558 210131080 /nfs/dbraw/zinc/13/10/80/210131080.db2.gz CSENCKNYCFJEOY-BIENJYKASA-N 0 0 340.264 5.584 50 10 EKCARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000004140560 210130857 /nfs/dbraw/zinc/13/08/57/210130857.db2.gz CSENCKNYCFJEOY-PJIJBLCYSA-N 0 0 340.264 5.584 50 10 EKCARN Cc1ccc(N2COc3ccc(/N=N/c4ccccc4)cc3C2)c(C)c1 ZINC000004140830 564160913 /nfs/dbraw/zinc/16/09/13/564160913.db2.gz HHBBXYMIXDZYPW-WCWDXBQESA-N 0 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326.783 5.075 50 10 EKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)c1 ZINC000004156842 210134418 /nfs/dbraw/zinc/13/44/18/210134418.db2.gz HIYKAPSJQREYHP-ZQIUZPCESA-N 0 0 326.783 5.075 50 10 EKCARN Cc1ccc(Cl)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004183909 564161053 /nfs/dbraw/zinc/16/10/53/564161053.db2.gz XRFOGCLJQPTYEP-YZVOILCLSA-N 0 0 340.810 5.383 50 10 EKCARN Cc1ccc(Cl)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004183915 564161063 /nfs/dbraw/zinc/16/10/63/564161063.db2.gz XRFOGCLJQPTYEP-QMTMVMCOSA-N 0 0 340.810 5.383 50 10 EKCARN CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc2ccccc2c1O ZINC000004237587 563498467 /nfs/dbraw/zinc/49/84/67/563498467.db2.gz RDNZDNZJUNAHHV-KRWDZBQOSA-N 0 0 327.424 5.008 50 10 EKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000004263952 563498690 /nfs/dbraw/zinc/49/86/90/563498690.db2.gz BBTMMDJTGGYOTM-QURGRASLSA-N 0 0 346.346 5.263 50 10 EKCARN Fc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 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342.398 5.575 50 10 EKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)c1 ZINC000004321186 210170382 /nfs/dbraw/zinc/17/03/82/210170382.db2.gz SBXQTXXILVHMSZ-IPJJNNNSSA-N 0 0 342.398 5.575 50 10 EKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c1 ZINC000004321187 210170212 /nfs/dbraw/zinc/17/02/12/210170212.db2.gz SBXQTXXILVHMSZ-KNKQGSTJSA-N 0 0 342.398 5.575 50 10 EKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c1 ZINC000004321188 210170420 /nfs/dbraw/zinc/17/04/20/210170420.db2.gz SBXQTXXILVHMSZ-JQVVWYNYSA-N 0 0 342.398 5.575 50 10 EKCARN Clc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@@H]21 ZINC000004321212 210170462 /nfs/dbraw/zinc/17/04/62/210170462.db2.gz NUTFFTIAYAJRGC-PNLZDCPESA-N 0 0 331.846 6.320 50 10 EKCARN Clc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@H]21 ZINC000004321213 210170834 /nfs/dbraw/zinc/17/08/34/210170834.db2.gz NUTFFTIAYAJRGC-DRSNIGMVSA-N 0 0 331.846 6.320 50 10 EKCARN 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Cc1ccc(OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000004387213 210185847 /nfs/dbraw/zinc/18/58/47/210185847.db2.gz ZMJLAQBTHXYVCF-WCWDXBQESA-N 0 0 345.402 5.428 50 10 EKCARN COc1ccc(/N=N\c2cc(C)c3cc(C(C)C)ccc(C)c2-3)cc1 ZINC000004390342 210185913 /nfs/dbraw/zinc/18/59/13/210185913.db2.gz QJEPIYIQAKYOOK-VHXPQNKSSA-N 0 0 332.447 6.956 50 10 EKCARN O=C1C=Cc2ccccc2C1=NNc1ccccc1OC(F)(F)F ZINC000004390435 210185812 /nfs/dbraw/zinc/18/58/12/210185812.db2.gz BZFQQDONCLJCBO-QURGRASLSA-N 0 0 332.281 5.859 50 10 EKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1C[C@H]1c1ccccc1 ZINC000004416975 210190689 /nfs/dbraw/zinc/19/06/89/210190689.db2.gz VMLMKHHSRPPXDN-AXFWCQQBSA-N 0 0 341.414 5.844 50 10 EKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000004416980 210190272 /nfs/dbraw/zinc/19/02/72/210190272.db2.gz VMLMKHHSRPPXDN-ASOIDBRSSA-N 0 0 341.414 5.844 50 10 EKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000004416986 210191323 /nfs/dbraw/zinc/19/13/23/210191323.db2.gz 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FC(F)(F)c1ccccc1/N=N/Nc1ccccc1C(F)(F)F ZINC000006594725 564081613 /nfs/dbraw/zinc/08/16/13/564081613.db2.gz LXPAEQQYXWIGNG-UHFFFAOYSA-N 0 0 333.235 5.835 50 10 EKCARN CCOc1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1 ZINC000006690904 210680753 /nfs/dbraw/zinc/68/07/53/210680753.db2.gz LXNYYQRECNQEAE-UHFFFAOYSA-N 0 0 349.478 5.552 50 10 EKCARN Cc1ccc2cc(C3=C/C(=C\c4ccccc4F)C(=O)O3)ccc2c1 ZINC000006883920 205823892 /nfs/dbraw/zinc/82/38/92/205823892.db2.gz XMIRYCQHLQRRKA-XDHOZWIPSA-N 0 0 330.358 5.269 50 10 EKCARN COc1ccc(-n2c(-c3ccc(C)cc3)cc3c2C[C@H](C)CC3=O)cc1 ZINC000006898065 563590834 /nfs/dbraw/zinc/59/08/34/563590834.db2.gz LSPHITCDWYSHPG-INIZCTEOSA-N 0 0 345.442 5.226 50 10 EKCARN C[C@H]1N(C)c2ccc(/C=C/c3ccc4ccccc4n3)cc2C1(C)C ZINC000006962182 205827959 /nfs/dbraw/zinc/82/79/59/205827959.db2.gz SHGDMJFXWJPMOJ-ONOODXEBSA-N 0 0 328.459 5.521 50 10 EKCARN C[C@@H]1N(C)c2ccc(/C=C/c3ccc4ccccc4n3)cc2C1(C)C ZINC000006962183 564006793 /nfs/dbraw/zinc/00/67/93/564006793.db2.gz 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/nfs/dbraw/zinc/10/83/24/564108324.db2.gz ZJWNDMGYWBIUNY-UHFFFAOYSA-N 0 0 344.867 5.041 50 10 EKCARN Cc1ccc(-c2nc([C@H]3CC=CCC3)[nH]c2-c2ccccc2)cc1C ZINC000008739056 563638304 /nfs/dbraw/zinc/63/83/04/563638304.db2.gz RPSRISMVDVEWPQ-IBGZPJMESA-N 0 0 328.459 6.184 50 10 EKCARN Cc1ccc(-c2nc([C@@H]3CC=CCC3)[nH]c2-c2ccccc2)cc1C ZINC000008739057 563638321 /nfs/dbraw/zinc/63/83/21/563638321.db2.gz RPSRISMVDVEWPQ-LJQANCHMSA-N 0 0 328.459 6.184 50 10 EKCARN Cc1c2ccccc2[nH]c2c3[nH]c4ccccc4c(C)c-3c(=O)c(=O)c1-2 ZINC000008816117 563640267 /nfs/dbraw/zinc/64/02/67/563640267.db2.gz PNWFWWBEUJRIDK-UHFFFAOYSA-N 0 0 340.382 5.117 50 10 EKCARN COc1ccc(-c2nc([C@@H]3CC=CCC3)[nH]c2-c2ccccc2)cc1 ZINC000008914030 211016550 /nfs/dbraw/zinc/01/65/50/211016550.db2.gz NFKMQXTUJUIJCI-GOSISDBHSA-N 0 0 330.431 5.576 50 10 EKCARN COc1ccc(-c2nc([C@H]3CC=CCC3)[nH]c2-c2ccccc2)cc1 ZINC000008914978 211016481 /nfs/dbraw/zinc/01/64/81/211016481.db2.gz NFKMQXTUJUIJCI-SFHVURJKSA-N 0 0 330.431 5.576 50 10 EKCARN Cc1ccsc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000009188608 563642201 /nfs/dbraw/zinc/64/22/01/563642201.db2.gz GKWRTPYLQQNRQN-DHDCSXOGSA-N 0 0 345.514 5.079 50 10 EKCARN Cc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1 ZINC000009188712 563642132 /nfs/dbraw/zinc/64/21/32/563642132.db2.gz OMIQYXYGCAFOIP-BOPFTXTBSA-N 0 0 339.485 5.018 50 10 EKCARN Cc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000009188713 563642220 /nfs/dbraw/zinc/64/22/20/563642220.db2.gz TYCLKUPMRHIHSC-GDNBJRDFSA-N 0 0 345.876 5.054 50 10 EKCARN CCc1ccc(N2C(=O)/C(=C/c3sccc3C)SC2=S)cc1 ZINC000009188798 211050388 /nfs/dbraw/zinc/05/03/88/211050388.db2.gz DFIHAILJUOIHAW-GDNBJRDFSA-N 0 0 345.514 5.025 50 10 EKCARN Cc1cc(CNC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000009228543 211054685 /nfs/dbraw/zinc/05/46/85/211054685.db2.gz GDWKDPRPEHZEPC-UHFFFAOYSA-N 0 0 347.462 5.033 50 10 EKCARN Cc1cc(CNC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C)cc1 ZINC000009228544 211054877 /nfs/dbraw/zinc/05/48/77/211054877.db2.gz JCDYCRZQOIQODL-UHFFFAOYSA-N 0 0 347.462 5.033 50 10 EKCARN Cc1cc(CNC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000009228554 211054402 /nfs/dbraw/zinc/05/44/02/211054402.db2.gz CEMLDVWNHJJRES-UHFFFAOYSA-N 0 0 347.462 5.033 50 10 EKCARN Cc1cc(CNC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C)c1 ZINC000009228747 211054803 /nfs/dbraw/zinc/05/48/03/211054803.db2.gz TUCZVHCLOAAJOF-UHFFFAOYSA-N 0 0 347.462 5.033 50 10 EKCARN Cc1cc(CNC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C)c1 ZINC000009228748 211054379 /nfs/dbraw/zinc/05/43/79/211054379.db2.gz AHPJLJHYZTWPQS-UHFFFAOYSA-N 0 0 347.462 5.033 50 10 EKCARN Cc1cc(CNC(=O)Nc2cccc(C)c2C)c(C)n1-c1ccccc1 ZINC000009228837 211056445 /nfs/dbraw/zinc/05/64/45/211056445.db2.gz MIKDMHFOUYAQEM-UHFFFAOYSA-N 0 0 347.462 5.033 50 10 EKCARN Cc1cc(CNC(=O)Nc2cc(C)cc(C)c2)c(C)n1-c1ccccc1 ZINC000009228838 211056820 /nfs/dbraw/zinc/05/68/20/211056820.db2.gz UXELZPNWAAQCBE-UHFFFAOYSA-N 0 0 347.462 5.033 50 10 EKCARN Cc1cc(CNC(=O)Nc2ccc(C)cc2C)c(C)n1-c1ccccc1 ZINC000009228856 211055860 /nfs/dbraw/zinc/05/58/60/211055860.db2.gz 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5.214 50 10 EKCARN Nc1ncc(/N=N\c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000012959493 211492606 /nfs/dbraw/zinc/49/26/06/211492606.db2.gz UNJMNJFPEVJCQK-FCQUAONHSA-N 0 0 344.205 5.448 50 10 EKCARN Cc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000013098901 563687720 /nfs/dbraw/zinc/68/77/20/563687720.db2.gz YYDSBFBVHVWKKX-UNOMPAQXSA-N 0 0 348.833 5.240 50 10 EKCARN Cc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1ccccc1 ZINC000013134313 211527044 /nfs/dbraw/zinc/52/70/44/211527044.db2.gz JYXYPEKKIQWVNK-ODLFYWEKSA-N 0 0 348.833 5.240 50 10 EKCARN Cc1ncc(/N=N\c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000013142282 564136057 /nfs/dbraw/zinc/13/60/57/564136057.db2.gz PQYSENIJURXATI-FCQUAONHSA-N 0 0 326.762 5.660 50 10 EKCARN Cc1ccc(Cl)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000013389364 563697442 /nfs/dbraw/zinc/69/74/42/563697442.db2.gz XRFOGCLJQPTYEP-ZRGWGRIASA-N 0 0 340.810 5.383 50 10 EKCARN Cc1ccc(Cl)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000013389365 563697379 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O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000013563385 211580864 /nfs/dbraw/zinc/58/08/64/211580864.db2.gz YWKBTFYWHHQQLN-VFVRVIDISA-N 0 0 326.783 5.075 50 10 EKCARN COc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000013576356 563702587 /nfs/dbraw/zinc/70/25/87/563702587.db2.gz HUEJRZIDSOSUHH-SOZUMNATSA-N 0 0 346.257 5.829 50 10 EKCARN COc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000013576359 563702571 /nfs/dbraw/zinc/70/25/71/563702571.db2.gz HUEJRZIDSOSUHH-FMTVUPSXSA-N 0 0 346.257 5.829 50 10 EKCARN Fc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013576380 207471214 /nfs/dbraw/zinc/47/12/14/207471214.db2.gz SVIXQZGYDRQRMJ-XNJGSVPQSA-N 0 0 334.221 5.959 50 10 EKCARN Fc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013590150 563930665 /nfs/dbraw/zinc/93/06/65/563930665.db2.gz VSARUIOGNCPGGS-RKVPGOIHSA-N 0 0 344.227 5.415 50 10 EKCARN Fc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013600847 563703568 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O=C1/C(=C/C=C/c2ccco2)SC(=S)N1CCC1CCCCC1 ZINC000015011198 563771922 /nfs/dbraw/zinc/77/19/22/563771922.db2.gz BOHTZSJGUFXCME-MMPACVFLSA-N 0 0 347.505 5.007 50 10 EKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000015011461 563771805 /nfs/dbraw/zinc/77/18/05/563771805.db2.gz XKSQHZXDDYGMGP-SWZGKVDCSA-N 0 0 343.517 5.167 50 10 EKCARN Cc1ccc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)s1 ZINC000015016034 211790021 /nfs/dbraw/zinc/79/00/21/211790021.db2.gz AHZHZZNSPQSEGR-UNOMPAQXSA-N 0 0 332.428 5.016 50 10 EKCARN Fc1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000015218684 211808415 /nfs/dbraw/zinc/80/84/15/211808415.db2.gz BCFPQQDDNLGFIC-RKVPGOIHSA-N 0 0 349.327 5.551 50 10 EKCARN Cc1ccc2ccc([C@@H](Nc3ccccc3)c3ccccc3)c(O)c2n1 ZINC000015965752 563801150 /nfs/dbraw/zinc/80/11/50/563801150.db2.gz WEENRMPCSWFMTE-NRFANRHFSA-N 0 0 340.426 5.450 50 10 in-vivo EKCARN COc1ccc2ccccc2c1/C=C1\C=C(c2ccc(C)cc2)OC1=O ZINC000016292150 211894544 /nfs/dbraw/zinc/89/45/44/211894544.db2.gz 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CCCCN(CCCC)c1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000017354168 564011743 /nfs/dbraw/zinc/01/17/43/564011743.db2.gz FDZIYCHATWJZCH-QOCHGBHMSA-N 0 0 331.503 6.661 50 10 EKCARN CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(N(C)C)cc32)cc1 ZINC000017376912 564011832 /nfs/dbraw/zinc/01/18/32/564011832.db2.gz HPBQZMBEWSUYBI-HAHDFKILSA-N 0 0 340.470 5.388 50 10 EKCARN CN(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1Br ZINC000017377814 211968070 /nfs/dbraw/zinc/96/80/70/211968070.db2.gz IYQRNZSQZVRJOH-PTNGSMBKSA-N 0 0 326.237 5.083 50 10 EKCARN COc1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@H]21 ZINC000017703771 564012248 /nfs/dbraw/zinc/01/22/48/564012248.db2.gz BTMMLBOIHZUZIS-SNUQEOBHSA-N 0 0 346.257 5.829 50 10 EKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000017723506 211971258 /nfs/dbraw/zinc/97/12/58/211971258.db2.gz FHIQJJSQNOTYPS-GHVJWSGMSA-N 0 0 335.794 6.008 50 10 EKCARN O=[N+]([O-])c1ccc(N=NNc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000017969333 563846689 /nfs/dbraw/zinc/84/66/89/563846689.db2.gz SMMIDVLUFMPWFN-FMQUCBEESA-N 0 0 346.350 6.121 50 10 EKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc(Cl)c1 ZINC000018006916 563847069 /nfs/dbraw/zinc/84/70/69/563847069.db2.gz BVHXJXQDOFAUQY-GHVJWSGMSA-N 0 0 335.794 6.008 50 10 aggregator,in-vivo EKCARN O=C1C=Cc2ccccc2C1=NNc1ccc(Br)cc1 ZINC000018036648 564017774 /nfs/dbraw/zinc/01/77/74/564017774.db2.gz RIOZOASPCSFDHC-VHEBQXMUSA-N 0 0 327.181 5.723 50 10 EKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1Cl ZINC000018082317 563848238 /nfs/dbraw/zinc/84/82/38/563848238.db2.gz RXSBSLQMSAZXBX-GHVJWSGMSA-N 0 0 335.794 6.008 50 10 EKCARN Cc1cccc(-c2c(=O)c3ccccc3c3nc4ccccc4[nH]c2-3)c1 ZINC000018179539 564018572 /nfs/dbraw/zinc/01/85/72/564018572.db2.gz HIFMFYDVYQGTMH-UHFFFAOYSA-N 0 0 336.394 5.617 50 10 EKCARN O=c1c2ccccc2c2nc3ccccc3[nH]c-2c1-c1ccccc1F ZINC000018180274 201994712 /nfs/dbraw/zinc/99/47/12/201994712.db2.gz WPCVJGWWJBZCRN-UHFFFAOYSA-N 0 0 340.357 5.448 50 10 EKCARN COc1ccccc1/N=N/c1c(-c2ccccc2)cc2ccccn21 ZINC000018191729 564018641 /nfs/dbraw/zinc/01/86/41/564018641.db2.gz XPJJDPJHYWNVBK-GHVJWSGMSA-N 0 0 327.387 6.030 50 10 EKCARN O=c1c2ccccc2c2nc3ccccc3[nH]c-2c1-c1ccc(F)cc1 ZINC000018283453 201997325 /nfs/dbraw/zinc/99/73/25/201997325.db2.gz PNAQJYYWTTZBAZ-UHFFFAOYSA-N 0 0 340.357 5.448 50 10 EKCARN CCCC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019632926 212053368 /nfs/dbraw/zinc/05/33/68/212053368.db2.gz OUZSAKCDIKFJFB-UHFFFAOYSA-N 0 0 338.278 5.501 50 10 EKCARN O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 ZINC000019887059 212079434 /nfs/dbraw/zinc/07/94/34/212079434.db2.gz GXMLEMDQLWITRI-CKEIUWERSA-N 0 0 344.773 5.214 50 10 EKCARN O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000019887061 212079604 /nfs/dbraw/zinc/07/96/04/212079604.db2.gz GXMLEMDQLWITRI-JJRVBVJISA-N 0 0 344.773 5.214 50 10 EKCARN Fc1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]21 ZINC000019888107 564073595 /nfs/dbraw/zinc/07/35/95/564073595.db2.gz ADLLQAZLWSMOCI-SNUQEOBHSA-N 0 0 344.227 5.415 50 10 EKCARN Fc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000019890220 212079909 /nfs/dbraw/zinc/07/99/09/212079909.db2.gz ZJOZRARVXSEVIT-CKEIUWERSA-N 0 0 344.227 5.415 50 10 EKCARN Fc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000019890256 202025535 /nfs/dbraw/zinc/02/55/35/202025535.db2.gz FXSAPFFJWKDYGD-PEBVRCNWSA-N 0 0 334.221 5.959 50 10 EKCARN Fc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000019890258 202025063 /nfs/dbraw/zinc/02/50/63/202025063.db2.gz FXSAPFFJWKDYGD-QFSBIZTOSA-N 0 0 334.221 5.959 50 10 EKCARN O=C([O-])c1ccc(Cl)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000020059090 202030361 /nfs/dbraw/zinc/03/03/61/202030361.db2.gz QVPCKCSCWQGJMH-UHFFFAOYSA-N 0 0 348.789 5.483 50 10 EKCARN O=C(c1cc2c(cc1/N=N/c1ccc(Cl)cc1)OCCO2)C1CC1 ZINC000020096411 202031974 /nfs/dbraw/zinc/03/19/74/202031974.db2.gz GSLANQZSOXUARP-QZQOTICOSA-N 0 0 342.782 5.119 50 10 EKCARN CCCCNc1cc(NC(C)C)c2c3c1noc3-c1ccccc1C2=O ZINC000020322302 202038378 /nfs/dbraw/zinc/03/83/78/202038378.db2.gz AAQBOGMHWSHRCZ-UHFFFAOYSA-N 0 0 349.434 5.072 50 10 EKCARN Cc1cccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 ZINC000020408167 202041262 /nfs/dbraw/zinc/04/12/62/202041262.db2.gz OXRGUUUHDFGRBB-XNTDXEJSSA-N 0 0 345.876 5.054 50 10 EKCARN Oc1ccc(Cl)cc1CNc1ccc(Cl)cc1C(F)(F)F ZINC000020546171 212145760 /nfs/dbraw/zinc/14/57/60/212145760.db2.gz WIMLPBXOPTUVCO-UHFFFAOYSA-N 0 0 336.140 5.330 50 10 EKCARN Cc1c(Nc2c3ccccc3[nH+]c3ccccc32)cccc1C(=O)[O-] ZINC000020615546 202051032 /nfs/dbraw/zinc/05/10/32/202051032.db2.gz ZBQYQIQYTWHXKL-UHFFFAOYSA-N 0 0 328.371 5.138 50 10 EKCARN CCCCC[NH+](CCCCC)Cc1cc(Cl)c2cccnc2c1[O-] ZINC000021486589 202065187 /nfs/dbraw/zinc/06/51/87/202065187.db2.gz CGBMAQBSVNGNBR-UHFFFAOYSA-N 0 0 348.918 5.776 50 10 EKCARN Cc1cc(-c2csc(-c3ccncc3)n2)c(C)n1-c1ccccc1 ZINC000023623147 202105566 /nfs/dbraw/zinc/10/55/66/202105566.db2.gz KAMFXLSLODHRDU-UHFFFAOYSA-N 0 0 331.444 5.280 50 10 EKCARN Cn1c(-c2ccccc2)cnc1SCc1ccc(F)c2cccnc12 ZINC000024570115 563872535 /nfs/dbraw/zinc/87/25/35/563872535.db2.gz WIDWNFYLTPSMRB-UHFFFAOYSA-N 0 0 349.434 5.067 50 10 EKCARN CC(=C/c1ccccc1)/C=C1\SC(=S)N(C2=CCCC=C2)C1=O ZINC000026779792 563893193 /nfs/dbraw/zinc/89/31/93/563893193.db2.gz DBOSGQMMZKJWFV-PNKQLNASSA-N 0 0 339.485 5.068 50 10 EKCARN CC(C)C(=O)c1cc2c(cc1N=Nc1ccc(Cl)cc1)OCCO2 ZINC000030822810 212711084 /nfs/dbraw/zinc/71/10/84/212711084.db2.gz JPWSUHSKSOXVLS-QZQOTICOSA-N 0 0 344.798 5.365 50 10 EKCARN CCO[C@@H](c1ccc(N(C)C)cc1)n1c2ccccc2c2ccccc21 ZINC000032106585 564129718 /nfs/dbraw/zinc/12/97/18/564129718.db2.gz GCGNIRZBGDMBDU-QHCPKHFHSA-N 0 0 344.458 5.444 50 10 EKCARN CCO[C@H](c1ccc(N(C)C)cc1)n1c2ccccc2c2ccccc21 ZINC000032106588 564129717 /nfs/dbraw/zinc/12/97/17/564129717.db2.gz GCGNIRZBGDMBDU-HSZRJFAPSA-N 0 0 344.458 5.444 50 10 EKCARN O=C1OC(c2ccccc2)=C/C1=C\c1c2ccccc2cc2ccccc21 ZINC000032115668 564160844 /nfs/dbraw/zinc/16/08/44/564160844.db2.gz OTWVMENAUIHMSX-HMMYKYKNSA-N 0 0 348.401 5.974 50 10 EKCARN Fc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000032121224 212790804 /nfs/dbraw/zinc/79/08/04/212790804.db2.gz UTTKTVCBGPKFFE-JKIFEVAISA-N 0 0 344.227 5.415 50 10 EKCARN Fc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000032121226 564063332 /nfs/dbraw/zinc/06/33/32/564063332.db2.gz UTTKTVCBGPKFFE-CKEIUWERSA-N 0 0 344.227 5.415 50 10 EKCARN Fc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 ZINC000032121228 564063324 /nfs/dbraw/zinc/06/33/24/564063324.db2.gz UTTKTVCBGPKFFE-JJRVBVJISA-N 0 0 344.227 5.415 50 10 EKCARN COc1cc2c(cc1NC[C@@H]1CC1(Cl)Cl)oc1ccccc12 ZINC000032899537 563785410 /nfs/dbraw/zinc/78/54/10/563785410.db2.gz GUUQODAESLRYAI-JTQLQIEISA-N 0 0 336.218 5.200 50 10 EKCARN COc1cc2c(cc1NC[C@H]1CC1(Cl)Cl)oc1ccccc12 ZINC000032899538 563785394 /nfs/dbraw/zinc/78/53/94/563785394.db2.gz GUUQODAESLRYAI-SNVBAGLBSA-N 0 0 336.218 5.200 50 10 EKCARN CN(C)c1ccc(/C=C\c2nc3c(ccc4ccccc34)s2)cc1 ZINC000033248395 563965941 /nfs/dbraw/zinc/96/59/41/563965941.db2.gz ODPLCKKBVAJQEP-ZROIWOOFSA-N 0 0 330.456 5.686 50 10 EKCARN CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000033309452 563973521 /nfs/dbraw/zinc/97/35/21/563973521.db2.gz ZVNCIGKEQFWBAM-GDNBJRDFSA-N 0 0 345.229 5.108 50 10 EKCARN COc1ccccc1/C=C1\C=C(c2ccc3cc(C)ccc3c2)OC1=O ZINC000033314041 564036704 /nfs/dbraw/zinc/03/67/04/564036704.db2.gz YEBVVVYFGRSLDZ-DEDYPNTBSA-N 0 0 342.394 5.138 50 10 EKCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000033398615 212933811 /nfs/dbraw/zinc/93/38/11/212933811.db2.gz KGTQALRHKCVISG-DHDCSXOGSA-N 0 0 345.229 5.108 50 10 EKCARN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000033673345 257691696 /nfs/dbraw/zinc/69/16/96/257691696.db2.gz PNYVCWWLDSTXRU-OPYAIIAOSA-N 0 0 334.419 5.545 50 10 EKCARN CN(C)c1ccc(/C=C\c2cc(C(C)(C)C)nc(C(C)(C)C)c2)cc1 ZINC000033787639 212964519 /nfs/dbraw/zinc/96/45/19/212964519.db2.gz PHPCUYRVKZHKFE-KTKRTIGZSA-N 0 0 336.523 5.913 50 10 EKCARN CC(C)c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000033924606 568415104 /nfs/dbraw/zinc/41/51/04/568415104.db2.gz VDVBCWXUQYUOGF-SFQUDFHCSA-N 0 0 345.533 5.344 50 10 EKCARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000033939513 202271194 /nfs/dbraw/zinc/27/11/94/202271194.db2.gz BJEBBXQAQBREAV-CUZICJGVSA-N 0 0 330.431 5.075 50 10 EKCARN Cc1ccc(C2=C/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)c(C)c1 ZINC000034106351 212973825 /nfs/dbraw/zinc/97/38/25/212973825.db2.gz HMRNHPRMIFEDOX-RIYZIHGNSA-N 0 0 345.225 5.592 50 10 EKCARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000034118365 564003152 /nfs/dbraw/zinc/00/31/52/564003152.db2.gz CSENCKNYCFJEOY-TYILLQQXSA-N 0 0 340.264 5.584 50 10 EKCARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\C=C/c1ccccc1 ZINC000035225490 213015671 /nfs/dbraw/zinc/01/56/71/213015671.db2.gz BJEBBXQAQBREAV-WCZBEGGKSA-N 0 0 330.431 5.075 50 10 EKCARN CCc1ccc2sc3ccc4c(c3c2c1)C(=O)c1ccccc1C4=O ZINC000035323595 213022173 /nfs/dbraw/zinc/02/21/73/213022173.db2.gz FFUJKPOBEVLESS-UHFFFAOYSA-N 0 0 342.419 5.392 50 10 EKCARN Cc1ccc(-c2nc3cccc(C)n3c2Nc2cccc(Cl)c2)o1 ZINC000035616129 213042649 /nfs/dbraw/zinc/04/26/49/213042649.db2.gz JZWSKMWKXFIGTC-UHFFFAOYSA-N 0 0 337.810 5.608 50 10 EKCARN Clc1cccc(Nc2c(-c3ccco3)nc3ccc(Cl)cn32)c1 ZINC000035616172 213042878 /nfs/dbraw/zinc/04/28/78/213042878.db2.gz CNCADUHLHMDHLA-UHFFFAOYSA-N 0 0 344.201 5.645 50 10 EKCARN Cc1ccc(-c2nc3cc(C)ccn3c2Nc2cccc(Cl)c2)o1 ZINC000035616218 213042679 /nfs/dbraw/zinc/04/26/79/213042679.db2.gz DYIDGCYYJKPCMS-UHFFFAOYSA-N 0 0 337.810 5.608 50 10 EKCARN Cc1ccc(-c2nc3ccc(C)cn3c2Nc2cccc(Cl)c2)o1 ZINC000035616230 564129195 /nfs/dbraw/zinc/12/91/95/564129195.db2.gz BNZJERMPJUOKHO-UHFFFAOYSA-N 0 0 337.810 5.608 50 10 EKCARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000035622961 213043161 /nfs/dbraw/zinc/04/31/61/213043161.db2.gz GCNHAQAGDDCUNT-AQTBWJFISA-N 0 0 343.430 5.000 50 10 EKCARN O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 ZINC000036080786 202313223 /nfs/dbraw/zinc/31/32/23/202313223.db2.gz GXMLEMDQLWITRI-GRDNDAEWSA-N 0 0 344.773 5.214 50 10 EKCARN Cc1ccc(C2=NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)cc1 ZINC000036226564 213077922 /nfs/dbraw/zinc/07/79/22/213077922.db2.gz KAEZKHZJCPGKHW-QGOAFFKASA-N 0 0 335.472 5.354 50 10 EKCARN Oc1ccc(Cl)cc1CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000037009860 213130484 /nfs/dbraw/zinc/13/04/84/213130484.db2.gz OZPRVLZAFYFSGH-UHFFFAOYSA-N 0 0 336.140 5.330 50 10 EKCARN CCCN(CCC)c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000037868633 202048396 /nfs/dbraw/zinc/04/83/96/202048396.db2.gz KRFJOKOQTQWRKH-FMIVXFBMSA-N 0 0 330.475 6.032 50 10 EKCARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000039986623 213249437 /nfs/dbraw/zinc/24/94/37/213249437.db2.gz FTECXPRLNJWMNX-BOPFTXTBSA-N 0 0 339.485 5.018 50 10 EKCARN Oc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 ZINC000040487615 213316909 /nfs/dbraw/zinc/31/69/09/213316909.db2.gz BOMJOWAGPDDJKX-UHFFFAOYSA-N 0 0 325.795 5.450 50 10 EKCARN Cc1ccc(-c2cnc(SCC(C)C)n2Cc2ccccc2)cc1 ZINC000044085433 564059496 /nfs/dbraw/zinc/05/94/96/564059496.db2.gz DOWNPMFMEKBSFI-UHFFFAOYSA-N 0 0 336.504 5.655 50 10 EKCARN CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 ZINC000044085452 564059493 /nfs/dbraw/zinc/05/94/93/564059493.db2.gz CYJJBCNAOAXREO-UHFFFAOYSA-N 0 0 349.286 5.627 50 10 EKCARN CCn1c(-c2ccc(OC)cc2)cnc1SCc1ccc(F)cc1 ZINC000044085632 204295151 /nfs/dbraw/zinc/29/51/51/204295151.db2.gz GUSDXROLBZOQEU-UHFFFAOYSA-N 0 0 342.439 5.010 50 10 EKCARN CCCCc1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000044836137 563926716 /nfs/dbraw/zinc/92/67/16/563926716.db2.gz HTFSCWWZGZIPOL-UHFFFAOYSA-N 0 0 334.257 5.109 50 10 EKCARN Oc1ccc(Br)cc1CNc1ccc(Cl)cc1Cl ZINC000044836205 563926690 /nfs/dbraw/zinc/92/66/90/563926690.db2.gz LQTUBAYSXXQINR-UHFFFAOYSA-N 0 0 347.039 5.074 50 10 EKCARN Oc1ccc(Br)cc1CNc1cc(Cl)ccc1Cl ZINC000044836208 563926714 /nfs/dbraw/zinc/92/67/14/563926714.db2.gz WCNUYAWXZLYNFV-UHFFFAOYSA-N 0 0 347.039 5.074 50 10 EKCARN Oc1ccc(Br)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000044836212 563926686 /nfs/dbraw/zinc/92/66/86/563926686.db2.gz KZZWQPZILSSHJK-UHFFFAOYSA-N 0 0 347.039 5.074 50 10 EKCARN CCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1O ZINC000044836385 563986718 /nfs/dbraw/zinc/98/67/18/563986718.db2.gz UOZCICNACQELDF-UHFFFAOYSA-N 0 0 335.403 5.195 50 10 EKCARN CCOc1cccc(CNc2ccc(Cl)c(C(F)(F)F)c2)c1O ZINC000044836443 563926802 /nfs/dbraw/zinc/92/68/02/563926802.db2.gz FNUBFASTODOORD-UHFFFAOYSA-N 0 0 345.748 5.075 50 10 EKCARN CN(C)c1ccc([C@@H]2CC(c3cccs3)=NN2c2ccccc2)cc1 ZINC000045068147 213704728 /nfs/dbraw/zinc/70/47/28/213704728.db2.gz LZAGMWZBCKOOMI-FQEVSTJZSA-N 0 0 347.487 5.170 50 10 EKCARN CN(C)c1ccc([C@H]2CC(c3cccs3)=NN2c2ccccc2)cc1 ZINC000045068150 564076245 /nfs/dbraw/zinc/07/62/45/564076245.db2.gz LZAGMWZBCKOOMI-HXUWFJFHSA-N 0 0 347.487 5.170 50 10 EKCARN Oc1c(N=Nc2ccc(Br)cn2)ccc2ccccc21 ZINC000048523703 564129275 /nfs/dbraw/zinc/12/92/75/564129275.db2.gz UACLAIZHKKONAL-VHEBQXMUSA-N 0 0 328.169 5.118 50 10 EKCARN CCN1c2ccc(N=Nc3ccc(C(C)=O)cc3)cc2[C@H](C)CC1(C)C ZINC000048524024 564031806 /nfs/dbraw/zinc/03/18/06/564031806.db2.gz KXENNBLTBWZWQX-XGBCSFPLSA-N 0 0 349.478 6.417 50 10 EKCARN CCN1c2ccc(N=Nc3ccc(C(C)=O)cc3)cc2[C@@H](C)CC1(C)C ZINC000048524025 564031796 /nfs/dbraw/zinc/03/17/96/564031796.db2.gz KXENNBLTBWZWQX-KGHZBTQCSA-N 0 0 349.478 6.417 50 10 EKCARN CCOc1cccc(CNc2cc(C(F)(F)F)ccc2Cl)c1O ZINC000057476963 564154423 /nfs/dbraw/zinc/15/44/23/564154423.db2.gz QVZRHTGHDHVQEC-UHFFFAOYSA-N 0 0 345.748 5.075 50 10 EKCARN CCN(C)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 ZINC000058157422 564157838 /nfs/dbraw/zinc/15/78/38/564157838.db2.gz LHJGGQDGKZHBPF-UHFFFAOYSA-N 0 0 330.431 5.062 50 10 EKCARN Cc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000059267148 563947807 /nfs/dbraw/zinc/94/78/07/563947807.db2.gz CXZMNIBQLKPBQI-RKVPGOIHSA-N 0 0 340.264 5.584 50 10 EKCARN Cc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000059267149 564087893 /nfs/dbraw/zinc/08/78/93/564087893.db2.gz CXZMNIBQLKPBQI-VKJFTORMSA-N 0 0 340.264 5.584 50 10 EKCARN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 ZINC000059267190 563947821 /nfs/dbraw/zinc/94/78/21/563947821.db2.gz ITWOEUKZIACVRE-KEYYUXOJSA-N 0 0 344.773 5.214 50 10 EKCARN Cc1[nH]c2ccc(C(=O)Nc3cccc(N4CCCCC4)c3)cc2c1C ZINC000065666780 564108780 /nfs/dbraw/zinc/10/87/80/564108780.db2.gz PKOKWJPCVOTTTA-UHFFFAOYSA-N 0 0 347.462 5.027 50 10 EKCARN CN(C)c1ccc(/N=N/c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000070461094 563963908 /nfs/dbraw/zinc/96/39/08/563963908.db2.gz JKABUWOKAVANOP-QZQOTICOSA-N 0 0 327.737 5.840 50 10 EKCARN Nc1ccc(/N=N/c2ccc(Br)cc2)c2ccccc12 ZINC000071766981 563929588 /nfs/dbraw/zinc/92/95/88/563929588.db2.gz OLXHSWOFFNPHRA-FMQUCBEESA-N 0 0 326.197 5.600 50 10 EKCARN COc1cc2cccnc2c(/N=N/c2ccc(N)c3ccccc23)c1 ZINC000071766984 563929598 /nfs/dbraw/zinc/92/95/98/563929598.db2.gz BFKWJJBADBMYQS-WCWDXBQESA-N 0 0 328.375 5.394 50 10 EKCARN c1ccc(-c2ccccc2/N=N/Nc2ccccc2-c2ccccc2)cc1 ZINC000071769579 563965596 /nfs/dbraw/zinc/96/55/96/563965596.db2.gz WSRYBTXZPZLWJA-UHFFFAOYSA-N 0 0 349.437 7.131 50 10 EKCARN CCN(CC)c1cc(C)c(/C=C/c2ccnc3ccccc23)cc1C ZINC000072135112 203166402 /nfs/dbraw/zinc/16/64/02/203166402.db2.gz SSKCQNLJLCJBFW-VAWYXSNFSA-N 0 0 330.475 5.868 50 10 EKCARN CC[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1O ZINC000072281436 563904276 /nfs/dbraw/zinc/90/42/76/563904276.db2.gz ZRWXKKGGPIDOCM-LBPRGKRZSA-N 0 0 330.737 5.023 50 10 EKCARN CC[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1O ZINC000072281437 563904272 /nfs/dbraw/zinc/90/42/72/563904272.db2.gz ZRWXKKGGPIDOCM-GFCCVEGCSA-N 0 0 330.737 5.023 50 10 EKCARN COc1cc2c(cc1NCc1ncc(C(C)C)o1)oc1ccccc12 ZINC000072312444 563929267 /nfs/dbraw/zinc/92/92/67/563929267.db2.gz HANJKKJFUGYKSL-UHFFFAOYSA-N 0 0 336.391 5.318 50 10 EKCARN COc1ccc(CNc2ccc(/N=N/c3ccccc3)cc2)cc1OC ZINC000072334068 216155715 /nfs/dbraw/zinc/15/57/15/216155715.db2.gz JGEHKQISTOJMMU-WCWDXBQESA-N 0 0 347.418 5.731 50 10 EKCARN CN(C)c1ccc(/C=C/c2c3ccccc3nc3c2CCCC3)cc1 ZINC000073317035 216377792 /nfs/dbraw/zinc/37/77/92/216377792.db2.gz JLQFEZREXKDXSR-DTQAZKPQSA-N 0 0 328.459 5.350 50 10 EKCARN O=c1c(Cl)c2[nH]c3cc4ccccc4cc3nc-2c2ccccc12 ZINC000075250004 564081165 /nfs/dbraw/zinc/08/11/65/564081165.db2.gz WELRJKLEJISCTQ-UHFFFAOYSA-N 0 0 330.774 5.448 50 10 EKCARN Cc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000075250647 564081176 /nfs/dbraw/zinc/08/11/76/564081176.db2.gz TYCLKUPMRHIHSC-XNTDXEJSSA-N 0 0 345.876 5.054 50 10 EKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000075279385 564081408 /nfs/dbraw/zinc/08/14/08/564081408.db2.gz QEZMVWHZDXWMPM-BKUYFWCQSA-N 0 0 332.447 5.233 50 10 EKCARN Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccccc2O)c1 ZINC000075286969 564086237 /nfs/dbraw/zinc/08/62/37/564086237.db2.gz UHUCLZJJFWPFEV-UHFFFAOYSA-N 0 0 344.458 5.034 50 10 EKCARN CC(C)c1ccc2c(c1)CCCN2Cc1c(O)ccc2ccccc21 ZINC000089893467 564114847 /nfs/dbraw/zinc/11/48/47/564114847.db2.gz PRXYVAQCMBWFPA-UHFFFAOYSA-N 0 0 331.459 5.622 50 10 EKCARN Cc1ccc(Nc2ccc3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000095807858 563919581 /nfs/dbraw/zinc/91/95/81/563919581.db2.gz FHBQSWBRLWLIMW-UHFFFAOYSA-N 0 0 326.355 5.091 50 10 EKCARN C[C@@H](CCc1ccc2c(c1)c(N)c1ccccc1[n+]2[O-])CC(C)(C)C ZINC000095918030 563977737 /nfs/dbraw/zinc/97/77/37/563977737.db2.gz UJCYQEICSATQMS-HNNXBMFYSA-N 0 0 336.479 5.214 50 10 EKCARN C[C@H](CCc1ccc2c(c1)c(N)c1ccccc1[n+]2[O-])CC(C)(C)C ZINC000095918031 563977745 /nfs/dbraw/zinc/97/77/45/563977745.db2.gz UJCYQEICSATQMS-OAHLLOKOSA-N 0 0 336.479 5.214 50 10 EKCARN O=[N+]([N-]c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000096191671 218660109 /nfs/dbraw/zinc/66/01/09/218660109.db2.gz XQZPHFBWWQUCRC-DQRAZIAOSA-N 0 0 334.219 5.650 50 10 EKCARN CN(C)c1ccc(/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000096191716 564145967 /nfs/dbraw/zinc/14/59/67/564145967.db2.gz NXFIDTMHRKWVNL-OCOZRVBESA-N 0 0 341.418 5.711 50 10 EKCARN Cc1ccc(-c2[nH]nc(N)c2N=Nc2cccc(Cl)c2C)cc1 ZINC000096316540 563980732 /nfs/dbraw/zinc/98/07/32/563980732.db2.gz MZEPJOYPJMJTRQ-LSDHQDQOSA-N 0 0 325.803 5.345 50 10 EKCARN Nc1nc(-c2ccccc2)c(/N=N/c2cccc3ccccc32)s1 ZINC000097797804 219057524 /nfs/dbraw/zinc/05/75/24/219057524.db2.gz QAEAFNVULNJJSX-GHVJWSGMSA-N 0 0 330.416 5.961 50 10 EKCARN Cn1c2ccccc2c2ccc(CC(=O)C=NNc3ccccc3)cc21 ZINC000097940123 219060645 /nfs/dbraw/zinc/06/06/45/219060645.db2.gz SRHAWMYYHVWYSP-WCWDXBQESA-N 0 0 341.414 5.227 50 10 EKCARN S=C1c2ccccc2SC1=CNc1ccc(Br)cc1 ZINC000100056632 563981569 /nfs/dbraw/zinc/98/15/69/563981569.db2.gz HCCFGDBONKKKNX-ZROIWOOFSA-N 0 0 348.290 5.226 50 10 EKCARN c1ccc(/N=N\c2cnc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000100059771 219089843 /nfs/dbraw/zinc/08/98/43/219089843.db2.gz MZEGQEZGMZFHAK-QPLCGJKRSA-N 0 0 336.398 6.226 50 10 EKCARN CC(C)(C)C1=CC(=NNc2ccccc2)C(=O)C(Br)=C1 ZINC000100062216 219090191 /nfs/dbraw/zinc/09/01/91/219090191.db2.gz HOPBMWZLWSLZEA-VHEBQXMUSA-N 0 0 333.229 5.868 50 10 EKCARN Cc1cc2ncc(/N=N/c3ccccc3)c(-c3ccc(Cl)cc3)n2n1 ZINC000100228164 219094869 /nfs/dbraw/zinc/09/48/69/219094869.db2.gz BMQKXRRSNFEQRM-GHVJWSGMSA-N 0 0 347.809 5.774 50 10 EKCARN O=C(c1ccccc1)c1cc2c(cc1/N=N/c1ccccc1)OCCO2 ZINC000100242116 219094574 /nfs/dbraw/zinc/09/45/74/219094574.db2.gz GYNSLQRIRBTBCQ-GHVJWSGMSA-N 0 0 344.370 5.104 50 10 EKCARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/C=C\c1ccccc1 ZINC000100302678 219096058 /nfs/dbraw/zinc/09/60/58/219096058.db2.gz BJEBBXQAQBREAV-LPDGQVOVSA-N 0 0 330.431 5.075 50 10 EKCARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000100302684 219095942 /nfs/dbraw/zinc/09/59/42/219095942.db2.gz BJEBBXQAQBREAV-JLEGNJKJSA-N 0 0 330.431 5.075 50 10 EKCARN Cc1ccc(C(c2ccc(C)cc2)C2C(=O)c3ccccc3C2=O)cc1 ZINC000100337861 563982558 /nfs/dbraw/zinc/98/25/58/563982558.db2.gz WVSGPYQBTCTAFQ-UHFFFAOYSA-N 0 0 340.422 5.131 50 10 EKCARN Cc1ccc([C@@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000100366996 563982571 /nfs/dbraw/zinc/98/25/71/563982571.db2.gz MAOVHTGGKZIQJH-OAQYLSRUSA-N 0 0 340.422 5.131 50 10 EKCARN Cc1ccc([C@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000100367001 219097943 /nfs/dbraw/zinc/09/79/43/219097943.db2.gz MAOVHTGGKZIQJH-NRFANRHFSA-N 0 0 340.422 5.131 50 10 EKCARN Nc1ncc(/N=N\c2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000100425543 219098866 /nfs/dbraw/zinc/09/88/66/219098866.db2.gz WFDANDRDWSZUTF-IZHYLOQSSA-N 0 0 343.312 5.160 50 10 EKCARN Cc1cccc(Nc2ccc3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000100430259 563992334 /nfs/dbraw/zinc/99/23/34/563992334.db2.gz AKPJIQNCUBOTQL-UHFFFAOYSA-N 0 0 326.355 5.091 50 10 EKCARN c1coc(-c2nc(-c3ccccc3)ncc2/N=N\c2ccccc2)c1 ZINC000100430352 219099154 /nfs/dbraw/zinc/09/91/54/219099154.db2.gz GMWMPDMGQSHDIK-VHXPQNKSSA-N 0 0 326.359 5.819 50 10 EKCARN CC1=NN(c2ccccc2)C(=S)C1=CNc1cccc2ccccc21 ZINC000100547089 219101390 /nfs/dbraw/zinc/10/13/90/219101390.db2.gz DYPOZQBKPNWONR-RGEXLXHISA-N 0 0 343.455 5.359 50 10 EKCARN O=C1c2ccccc2C(=O)C1Cc1c2ccccc2cc2ccccc21 ZINC000100807031 219107253 /nfs/dbraw/zinc/10/72/53/219107253.db2.gz NYYLZVVOESREGX-UHFFFAOYSA-N 0 0 336.390 5.231 50 10 EKCARN Cc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2 ZINC000100816026 219108090 /nfs/dbraw/zinc/10/80/90/219108090.db2.gz ISOLDHAMKHKUIN-NVMIEIDBSA-N 0 0 338.411 6.016 50 10 EKCARN Cc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2 ZINC000100816027 219108040 /nfs/dbraw/zinc/10/80/40/219108040.db2.gz ISOLDHAMKHKUIN-VIQONRLZSA-N 0 0 338.411 6.016 50 10 EKCARN Oc1cc2ccccc2c(/N=N/c2ccc(SC(F)F)cc2)c1 ZINC000100846336 219109036 /nfs/dbraw/zinc/10/90/36/219109036.db2.gz DBMSASXXJWQIJU-QZQOTICOSA-N 0 0 330.359 6.276 50 10 EKCARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000101119252 219117194 /nfs/dbraw/zinc/11/71/94/219117194.db2.gz YWKBTFYWHHQQLN-FHSNZYRGSA-N 0 0 326.783 5.075 50 10 EKCARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000101119255 219116903 /nfs/dbraw/zinc/11/69/03/219116903.db2.gz YWKBTFYWHHQQLN-VBHSOAQHSA-N 0 0 326.783 5.075 50 10 EKCARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000101124528 564000533 /nfs/dbraw/zinc/00/05/33/564000533.db2.gz DXRNIHSFUZJKKE-LZNRXBQRSA-N 0 0 342.398 5.575 50 10 EKCARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000101124530 564000546 /nfs/dbraw/zinc/00/05/46/564000546.db2.gz DXRNIHSFUZJKKE-JUXOCIIHSA-N 0 0 342.398 5.575 50 10 EKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)c1 ZINC000101124552 219117164 /nfs/dbraw/zinc/11/71/64/219117164.db2.gz QTCBVCMEJTUCSW-RKVPGOIHSA-N 0 0 326.783 5.075 50 10 EKCARN Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000101125368 204001339 /nfs/dbraw/zinc/00/13/39/204001339.db2.gz OBNCSWAOEBOXHV-LZNRXBQRSA-N 0 0 331.846 6.320 50 10 EKCARN Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000101125370 204000876 /nfs/dbraw/zinc/00/08/76/204000876.db2.gz OBNCSWAOEBOXHV-JUXOCIIHSA-N 0 0 331.846 6.320 50 10 EKCARN Fc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000101125394 219116806 /nfs/dbraw/zinc/11/68/06/219116806.db2.gz SVIXQZGYDRQRMJ-IGCXYCKISA-N 0 0 334.221 5.959 50 10 EKCARN Fc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000101130413 204001568 /nfs/dbraw/zinc/00/15/68/204001568.db2.gz VSARUIOGNCPGGS-VKJFTORMSA-N 0 0 344.227 5.415 50 10 EKCARN Fc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000101138139 219117320 /nfs/dbraw/zinc/11/73/20/219117320.db2.gz IFPNQZNVTLNVKT-KEYYUXOJSA-N 0 0 334.221 5.959 50 10 EKCARN O=[N+]([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000101147861 219118175 /nfs/dbraw/zinc/11/81/75/219118175.db2.gz GWTBAIHFEJIJHZ-JKIFEVAISA-N 0 0 326.783 5.075 50 10 EKCARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000101147869 219117945 /nfs/dbraw/zinc/11/79/45/219117945.db2.gz ONJUTHIWGVUHNE-VKJFTORMSA-N 0 0 326.783 5.075 50 10 EKCARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000101147871 219117700 /nfs/dbraw/zinc/11/77/00/219117700.db2.gz ONJUTHIWGVUHNE-RVKKMQEKSA-N 0 0 326.783 5.075 50 10 EKCARN O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@H]21 ZINC000101164127 204002756 /nfs/dbraw/zinc/00/27/56/204002756.db2.gz NJPIZHHLAIMUSN-SNUQEOBHSA-N 0 0 326.783 5.075 50 10 EKCARN CN1c2ccccc2S/C1=C/C(=S)c1cccc2ccccc21 ZINC000101168359 219117584 /nfs/dbraw/zinc/11/75/84/219117584.db2.gz NGVJZWPPTYYNPO-DEDYPNTBSA-N 0 0 333.481 5.641 50 10 EKCARN O=C1C=CC=CC1=NN=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000101708884 219158609 /nfs/dbraw/zinc/15/86/09/219158609.db2.gz ATEQMZYYZRYXHI-OCOZRVBESA-N 0 0 340.386 5.865 50 10 EKCARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1O ZINC000101901656 219171038 /nfs/dbraw/zinc/17/10/38/219171038.db2.gz YIUOPUMQKIHLQP-FQEVSTJZSA-N 0 0 334.419 5.264 50 10 EKCARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1O ZINC000101901660 219171427 /nfs/dbraw/zinc/17/14/27/219171427.db2.gz YIUOPUMQKIHLQP-HXUWFJFHSA-N 0 0 334.419 5.264 50 10 EKCARN CCOC(=O)c1ccc(NN=C2Sc3ccccc3C2=O)cc1 ZINC000102035671 564019834 /nfs/dbraw/zinc/01/98/34/564019834.db2.gz BOOQOUFFCJXTFU-VHEBQXMUSA-N 0 0 326.377 5.199 50 10 EKCARN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 ZINC000102955414 219243295 /nfs/dbraw/zinc/24/32/95/219243295.db2.gz ITWOEUKZIACVRE-JKIFEVAISA-N 0 0 344.773 5.214 50 10 EKCARN Cc1ccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)cc1C ZINC000103114668 206455366 /nfs/dbraw/zinc/45/53/66/206455366.db2.gz HZKXTZNYXKNRMQ-UHFFFAOYSA-N 0 0 343.470 6.242 50 10 EKCARN Fc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000103130757 206395541 /nfs/dbraw/zinc/39/55/41/206395541.db2.gz DCLASWZOVIRYAF-VKJFTORMSA-N 0 0 333.328 5.671 50 10 EKCARN Cc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000103323612 564022096 /nfs/dbraw/zinc/02/20/96/564022096.db2.gz IYDZVZFHUWPZEE-DHDCSXOGSA-N 0 0 345.876 5.054 50 10 EKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000103936936 564023355 /nfs/dbraw/zinc/02/33/55/564023355.db2.gz RYGLAPVZTGQRFT-JWGURIENSA-N 0 0 338.410 5.160 50 10 EKCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000111441145 220155081 /nfs/dbraw/zinc/15/50/81/220155081.db2.gz QXCVXDWBEVDVHY-FUHIMQAGSA-N 0 0 325.839 5.565 50 10 EKCARN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000166488722 564129649 /nfs/dbraw/zinc/12/96/49/564129649.db2.gz PNYVCWWLDSTXRU-LVCYWYKZSA-N 0 0 334.419 5.545 50 10 EKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000169617162 564017128 /nfs/dbraw/zinc/01/71/28/564017128.db2.gz HIYKAPSJQREYHP-KEYYUXOJSA-N 0 0 326.783 5.075 50 10 EKCARN COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000169617311 564017127 /nfs/dbraw/zinc/01/71/27/564017127.db2.gz OAORQAINFAGFIL-LPMFXHHGSA-N 0 0 346.257 5.829 50 10 EKCARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000169617620 564017130 /nfs/dbraw/zinc/01/71/30/564017130.db2.gz DXRNIHSFUZJKKE-ZWCUEREDSA-N 0 0 342.398 5.575 50 10 EKCARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000169617621 226552994 /nfs/dbraw/zinc/55/29/94/226552994.db2.gz DXRNIHSFUZJKKE-SFGWALBWSA-N 0 0 342.398 5.575 50 10 EKCARN Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H]([C@@H]1CC=CCC1)N2 ZINC000169617653 564083990 /nfs/dbraw/zinc/08/39/90/564083990.db2.gz SIBQPRMYIDHIQZ-LJGDNWOOSA-N 0 0 330.269 5.259 50 10 EKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000169682378 564017154 /nfs/dbraw/zinc/01/71/54/564017154.db2.gz XYVREAVYUWSPEO-KEYYUXOJSA-N 0 0 326.783 5.075 50 10 EKCARN Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000169683015 564098444 /nfs/dbraw/zinc/09/84/44/564098444.db2.gz OBNCSWAOEBOXHV-SFGWALBWSA-N 0 0 331.846 6.320 50 10 EKCARN Cc1ccc(C(=O)c2ccccc2)c(NC(=S)Nc2ccccc2)c1 ZINC000170620246 226662106 /nfs/dbraw/zinc/66/21/06/226662106.db2.gz PITCSSBVGKCEKD-UHFFFAOYSA-N 0 0 346.455 5.035 50 10 EKCARN CCN(CC)c1cc(C)c(/C=C\c2ccnc3ccccc23)cc1C ZINC000211168802 564056063 /nfs/dbraw/zinc/05/60/63/564056063.db2.gz SSKCQNLJLCJBFW-QXMHVHEDSA-N 0 0 330.475 5.868 50 10 EKCARN Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000222367235 241510238 /nfs/dbraw/zinc/51/02/38/241510238.db2.gz BVWHDELMXLOWLL-FMTVUPSXSA-N 0 0 331.246 5.402 50 10 EKCARN CC1=C(Cl)C(C)=C(Br)C(=O)C1=NNc1ccccc1 ZINC000225438501 564046726 /nfs/dbraw/zinc/04/67/26/564046726.db2.gz YVBRPJLNIAXURK-ISLYRVAYSA-N 0 0 339.620 5.840 50 10 EKCARN Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000226758323 242115401 /nfs/dbraw/zinc/11/54/01/242115401.db2.gz MYYNCBWMQYJPGO-VFVRVIDISA-N 0 0 331.246 5.402 50 10 EKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000229836719 242206811 /nfs/dbraw/zinc/20/68/11/242206811.db2.gz XYVREAVYUWSPEO-CPUCHLNUSA-N 0 0 326.783 5.075 50 10 EKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)c1 ZINC000229836748 242205577 /nfs/dbraw/zinc/20/55/77/242205577.db2.gz HIYKAPSJQREYHP-CPUCHLNUSA-N 0 0 326.783 5.075 50 10 EKCARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000229953915 242219629 /nfs/dbraw/zinc/21/96/29/242219629.db2.gz ZVATYNIUFRUSQL-GPMSIDNRSA-N 0 0 340.264 5.584 50 10 EKCARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000229953920 242219642 /nfs/dbraw/zinc/21/96/42/242219642.db2.gz ZVATYNIUFRUSQL-JTDSTZFVSA-N 0 0 340.264 5.584 50 10 EKCARN Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000229961586 242220047 /nfs/dbraw/zinc/22/00/47/242220047.db2.gz IZSABPHCHBLJMD-FMTVUPSXSA-N 0 0 334.221 5.959 50 10 EKCARN Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000229961592 242219436 /nfs/dbraw/zinc/21/94/36/242219436.db2.gz IZSABPHCHBLJMD-SEDUGSJDSA-N 0 0 334.221 5.959 50 10 EKCARN Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000229961597 242220514 /nfs/dbraw/zinc/22/05/14/242220514.db2.gz IZSABPHCHBLJMD-SOZUMNATSA-N 0 0 334.221 5.959 50 10 EKCARN Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000229961604 242220458 /nfs/dbraw/zinc/22/04/58/242220458.db2.gz IZSABPHCHBLJMD-FTLABTOESA-N 0 0 334.221 5.959 50 10 EKCARN Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H]([C@H]1CC=CCC1)N2 ZINC000229966634 532966110 /nfs/dbraw/zinc/96/61/10/532966110.db2.gz SIBQPRMYIDHIQZ-WLLUSJSYSA-N 0 0 330.269 5.259 50 10 EKCARN Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000229972522 242220607 /nfs/dbraw/zinc/22/06/07/242220607.db2.gz BVWHDELMXLOWLL-SEDUGSJDSA-N 0 0 331.246 5.402 50 10 EKCARN Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000229972529 242220765 /nfs/dbraw/zinc/22/07/65/242220765.db2.gz BVWHDELMXLOWLL-FTLABTOESA-N 0 0 331.246 5.402 50 10 EKCARN Nc1n[nH]c(-c2ccc(Cl)cc2)c1N=Nc1ccccc1Cl ZINC000242554690 564131875 /nfs/dbraw/zinc/13/18/75/564131875.db2.gz MTUIYMWNSPAKHE-UHFFFAOYSA-N 0 0 332.194 5.381 50 10 EKCARN Nc1c(N=Nc2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000242722957 201151982 /nfs/dbraw/zinc/15/19/82/201151982.db2.gz XZRBRYBEWLNSMA-UHFFFAOYSA-N 0 0 339.402 5.537 50 10 EKCARN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000244884327 564131926 /nfs/dbraw/zinc/13/19/26/564131926.db2.gz YKDDWKCQYQUENY-UHFFFAOYSA-N 0 0 349.394 5.430 50 10 EKCARN Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@@H]1CC=CCC1)N2 ZINC000245232329 564131956 /nfs/dbraw/zinc/13/19/56/564131956.db2.gz SIBQPRMYIDHIQZ-TXPWEPMLSA-N 0 0 330.269 5.259 50 10 EKCARN Cc1cc(N=Nc2ccccc2)c(C(C)C)cc1N=Nc1ccccc1 ZINC000245238758 258073031 /nfs/dbraw/zinc/07/30/31/258073031.db2.gz AOCSNOPVOYYRAN-UHFFFAOYSA-N 0 0 342.446 7.949 50 10 EKCARN Cc1cc([N+](=O)[N-]c2ccccc2)ccc1[N+](=O)[N-]c1ccccc1 ZINC000245238812 258072994 /nfs/dbraw/zinc/07/29/94/258072994.db2.gz BDPMBHISELKTSQ-XVWUMQNBSA-N 0 0 332.363 5.846 50 10 EKCARN Nc1ccc(N=Nc2ccc([N+](=O)[N-]c3ccc(N)cc3)cc2)cc1 ZINC000245240632 243099727 /nfs/dbraw/zinc/09/97/27/243099727.db2.gz QVHOCYVXLLNMPB-UHFFFAOYSA-N 0 0 332.367 5.192 50 10 EKCARN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)c2cnc(C)cn2)cc1 ZINC000245284709 564168964 /nfs/dbraw/zinc/16/89/64/564168964.db2.gz UEOZNGPOBBRHAU-UHFFFAOYSA-N 0 0 345.406 5.070 50 10 EKCARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2nccn2c1 ZINC000245316731 564169032 /nfs/dbraw/zinc/16/90/32/564169032.db2.gz KKWMCCFOEOZDRJ-UHFFFAOYSA-N 0 0 341.374 5.002 50 10 EKCARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000250538508 564112090 /nfs/dbraw/zinc/11/20/90/564112090.db2.gz OTQMKUSRBBBBBO-UHFFFAOYSA-N 0 0 337.329 5.633 50 10 EKCARN CC1=CC(Br)=CC(=NNc2cccc3ccccc32)C1=O ZINC000252460570 564118645 /nfs/dbraw/zinc/11/86/45/564118645.db2.gz GKLZHXSFWWNFHU-UHFFFAOYSA-N 0 0 341.208 6.032 50 10 EKCARN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)[C@H](C)n2cccn2)cc1 ZINC000252474640 564118969 /nfs/dbraw/zinc/11/89/69/564118969.db2.gz IYYGRBFSIBGGOS-INIZCTEOSA-N 0 0 347.422 5.115 50 10 EKCARN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)[C@@H](C)n2cccn2)cc1 ZINC000252474641 564118959 /nfs/dbraw/zinc/11/89/59/564118959.db2.gz IYYGRBFSIBGGOS-MRXNPFEDSA-N 0 0 347.422 5.115 50 10 EKCARN O=C(/C=C\c1nccs1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000252507151 564119936 /nfs/dbraw/zinc/11/99/36/564119936.db2.gz ZTJWGFQFDOKFOH-UQKXYVMDSA-N 0 0 334.404 5.210 50 10 EKCARN O=C(/C=C/c1nccs1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000252507152 564119941 /nfs/dbraw/zinc/11/99/41/564119941.db2.gz ZTJWGFQFDOKFOH-XANDGPPWSA-N 0 0 334.404 5.210 50 10 EKCARN Brc1ccc(N=Nc2c[nH]nc2-c2cccs2)cc1 ZINC000252588333 564120843 /nfs/dbraw/zinc/12/08/43/564120843.db2.gz AARIYXBWPUSBBH-UHFFFAOYSA-N 0 0 333.214 5.316 50 10 EKCARN O=C1C=CC=CC1=NN=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000252590546 564120844 /nfs/dbraw/zinc/12/08/44/564120844.db2.gz ATEQMZYYZRYXHI-UHFFFAOYSA-N 0 0 340.386 5.865 50 10 aggregator EKCARN Cc1cc2ncc(N=Nc3ccccc3)c(-c3ccc(Cl)cc3)n2n1 ZINC000252593826 564121072 /nfs/dbraw/zinc/12/10/72/564121072.db2.gz BMQKXRRSNFEQRM-UHFFFAOYSA-N 0 0 347.809 5.774 50 10 EKCARN O=C1C=CC(=NNc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C=C1 ZINC000252604825 564121259 /nfs/dbraw/zinc/12/12/59/564121259.db2.gz GDVLXNQFILRYQG-UHFFFAOYSA-N 0 0 340.386 5.865 50 10 EKCARN CCOC(=O)c1ccc(N=Nc2cc(C)nc(-c3ccccc3)n2)cc1 ZINC000252611240 564121799 /nfs/dbraw/zinc/12/17/99/564121799.db2.gz IIAYZBWKZVAAEQ-UHFFFAOYSA-N 0 0 346.390 5.044 50 10 EKCARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000252612456 564121879 /nfs/dbraw/zinc/12/18/79/564121879.db2.gz ITSNXUZJXOQCKS-UHFFFAOYSA-N 0 0 345.358 5.083 50 10 EKCARN Cc1ccc(-c2[nH]nc(N)c2N=Nc2cccc(Cl)c2C)cc1 ZINC000252621471 564122863 /nfs/dbraw/zinc/12/28/63/564122863.db2.gz MZEPJOYPJMJTRQ-UHFFFAOYSA-N 0 0 325.803 5.345 50 10 aggregator EKCARN COc1ccc(N=Nc2ccc3ccccc3c2Br)cc1 ZINC000252622939 524449642 /nfs/dbraw/zinc/44/96/42/524449642.db2.gz OGGGRUDSDPMNND-UHFFFAOYSA-N 0 0 341.208 6.026 50 10 EKCARN Cc1ccc(N=Nc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000252623017 564122903 /nfs/dbraw/zinc/12/29/03/564122903.db2.gz OICAIOAFNPDTGQ-UHFFFAOYSA-N 0 0 338.414 6.468 50 10 EKCARN Nc1nn2c(nccc2-c2ccc(Cl)cc2)c1N=Nc1ccccc1 ZINC000252623827 564123026 /nfs/dbraw/zinc/12/30/26/564123026.db2.gz PAENSLOHJDFGDF-UHFFFAOYSA-N 0 0 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340.427 5.618 50 10 EKCARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1Cl ZINC000254853456 564158420 /nfs/dbraw/zinc/15/84/20/564158420.db2.gz RXSBSLQMSAZXBX-UHFFFAOYSA-N 0 0 335.794 6.008 50 10 EKCARN Cc1ccc(NN=C2C=C(C(C)(C)C)C=C(Br)C2=O)cc1 ZINC000254869316 564159061 /nfs/dbraw/zinc/15/90/61/564159061.db2.gz HEWCHOBPPVEOCW-UHFFFAOYSA-N 0 0 347.256 6.176 50 10 EKCARN O=C(/C=C/c1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000257345131 564132427 /nfs/dbraw/zinc/13/24/27/564132427.db2.gz DHYCVNULLGWOSW-AEEHWOJPSA-N 0 0 327.387 5.754 50 10 EKCARN CCN1C=C/C(=C/C=C2/C=Nc3ccc(OC)cc32)c2ccccc21 ZINC000334157091 258005581 /nfs/dbraw/zinc/00/55/81/258005581.db2.gz JFOUZWIMCFWAHD-JCDHFMOQSA-N 0 0 328.415 5.232 50 10 EKCARN CCN1C=C/C(=C/C=C2\C=Nc3ccc(OC)cc32)c2ccccc21 ZINC000334157092 258005525 /nfs/dbraw/zinc/00/55/25/258005525.db2.gz JFOUZWIMCFWAHD-VAQFQWRASA-N 0 0 328.415 5.232 50 10 EKCARN