smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3cc([N+](=O)[O-])cc(OC)c3O1)N2C ZINC000002478254 817391155 /nfs/dbraw/zinc/39/11/55/817391155.db2.gz REIRBIWLLFIURB-OAQYLSRUSA-N 0 0 382.416 4.142 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(NC(=O)C(C)(Cl)Cl)cc2)SC1=S ZINC000003191489 817420383 /nfs/dbraw/zinc/42/03/83/817420383.db2.gz JNKHSOWOFHCZMU-FLIBITNWSA-N 0 0 389.329 4.040 50 10 GICARN COc1ccc(N2CCN(c3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000057519793 823306651 /nfs/dbraw/zinc/30/66/51/823306651.db2.gz AGLOJOSHPRLITJ-UHFFFAOYSA-N 0 0 394.906 4.441 50 10 GICARN CCCCC(=O)Nc1cc(N2CCn3c(nc4ccccc43)C2)ccc1OC ZINC000019855462 818607796 /nfs/dbraw/zinc/60/77/96/818607796.db2.gz IGFNEAREEMWCDE-UHFFFAOYSA-N 0 0 378.476 4.194 50 10 GICARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=N)N2O1 ZINC000020236143 818617729 /nfs/dbraw/zinc/61/77/29/818617729.db2.gz IEYDYQUMIQYQPA-BPHBXOPHSA-N 0 0 393.830 4.369 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(Oc3cccc(OC)c3)c(C)oc21 ZINC000020412357 818621127 /nfs/dbraw/zinc/62/11/27/818621127.db2.gz NRTQHOGXGZKIGR-UHFFFAOYSA-N 0 0 383.444 4.450 50 10 GICARN CCOC(=O)c1cc(C)n(-c2ccc(C(=O)Nc3nc(C)cs3)cc2)c1C ZINC000020532644 818624682 /nfs/dbraw/zinc/62/46/82/818624682.db2.gz DFARFHZBPVLTQY-UHFFFAOYSA-N 0 0 383.473 4.288 50 10 GICARN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O ZINC000002299893 203936114 /nfs/dbraw/zinc/93/61/14/203936114.db2.gz SLUHQMGBSLUJRV-NTUHNPAUSA-N 0 0 387.775 4.247 50 10 GICARN CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 ZINC000003446541 204007655 /nfs/dbraw/zinc/00/76/55/204007655.db2.gz YIUZTBIFFAOYCV-UHFFFAOYSA-N 0 0 380.419 4.453 50 10 GICARN COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)ccc1O ZINC000004040404 204025347 /nfs/dbraw/zinc/02/53/47/204025347.db2.gz NQVUUYKCIYGUES-MBSDFSHPSA-N 0 0 394.471 4.230 50 10 GICARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccccc1F ZINC000004150596 204028897 /nfs/dbraw/zinc/02/88/97/204028897.db2.gz GOYFBRRFQZPJQE-TWGBNTOESA-N 0 0 380.448 4.400 50 10 GICARN N=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1Cl ZINC000004185901 204031398 /nfs/dbraw/zinc/03/13/98/204031398.db2.gz FEDXEHFNCYRBKK-FNUYTPMSSA-N 0 0 399.903 4.232 50 10 GICARN CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)C)cc1 ZINC000004732553 204070089 /nfs/dbraw/zinc/07/00/89/204070089.db2.gz OHRORVYDAXAALU-UHFFFAOYSA-N 0 0 392.507 4.095 50 10 GICARN Cc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004809007 204077168 /nfs/dbraw/zinc/07/71/68/204077168.db2.gz WORWHWJWHQMVGU-RVDMUPIBSA-N 0 0 388.539 4.287 50 10 GICARN COc1ccc(-c2nonc2/N=N/c2nonc2-c2ccc(OC)cc2)cc1 ZINC000004452336 204045914 /nfs/dbraw/zinc/04/59/14/204045914.db2.gz FMSWGEVOJGRRAK-FMQUCBEESA-N 0 0 378.348 4.219 50 10 GICARN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 ZINC000004482840 204046639 /nfs/dbraw/zinc/04/66/39/204046639.db2.gz CEZHJKWSJOHWPI-SFQUDFHCSA-N 0 0 399.493 4.278 50 10 GICARN CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 ZINC000004482841 204046849 /nfs/dbraw/zinc/04/68/49/204046849.db2.gz SSSGBKDAVUDSEA-MHWRWJLKSA-N 0 0 387.457 4.408 50 10 GICARN Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004536565 204051373 /nfs/dbraw/zinc/05/13/73/204051373.db2.gz LECKYRVZFSVFKI-FOWTUZBSSA-N 0 0 386.498 4.208 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=N)S1 ZINC000004618373 204058646 /nfs/dbraw/zinc/05/86/46/204058646.db2.gz LAVSXSFRLVRMBK-OXMFYWCOSA-N 0 0 395.463 4.262 50 10 GICARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4c[nH]c5ccccc45)C3=N)S2)cc1 ZINC000004656109 204059657 /nfs/dbraw/zinc/05/96/57/204059657.db2.gz VHFOIDIUHRVESC-OXMFYWCOSA-N 0 0 385.452 4.144 50 10 GICARN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccc(Cl)cc1 ZINC000004689760 204064194 /nfs/dbraw/zinc/06/41/94/204064194.db2.gz DCERXOSJJBFKKL-DHDCSXOGSA-N 0 0 391.901 4.416 50 10 GICARN Cn1c(-c2ccccc2)cnc1SCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000005175064 204116146 /nfs/dbraw/zinc/11/61/46/204116146.db2.gz HUPTUZXHLRGMBD-UHFFFAOYSA-N 0 0 394.525 4.166 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 ZINC000005008907 204101913 /nfs/dbraw/zinc/10/19/13/204101913.db2.gz PKHTXOVJPFWMDN-GZTJUZNOSA-N 0 0 387.482 4.118 50 10 GICARN CC1=NN2C(=NC(=O)/C(=C/c3ccc(SCc4ccccc4)o3)C2=N)S1 ZINC000005028574 204104947 /nfs/dbraw/zinc/10/49/47/204104947.db2.gz YFZYUFLNTPSUHR-OGJKRULYSA-N 0 0 382.470 4.211 50 10 GICARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000005482398 204135195 /nfs/dbraw/zinc/13/51/95/204135195.db2.gz FXEAHQJTAKZOKF-STZFKDTASA-N 0 0 399.446 4.418 50 10 GICARN COC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)cc3C)N=C2C)ccc1Cl ZINC000005578405 204142098 /nfs/dbraw/zinc/14/20/98/204142098.db2.gz JLZDASWQFRPPOL-BOPFTXTBSA-N 0 0 397.862 4.462 50 10 GICARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000006781020 204204714 /nfs/dbraw/zinc/20/47/14/204204714.db2.gz KRHMOMNFYMXPML-UHFFFAOYSA-N 0 0 380.419 4.453 50 10 GICARN CCc1cccc2c1NC(=O)/C2=C1\SC(N(C)c2ccc(Cl)cc2)=NC1=O ZINC000006568218 204184931 /nfs/dbraw/zinc/18/49/31/204184931.db2.gz YLZAEWRKQABHQL-ICFOKQHNSA-N 0 0 397.887 4.331 50 10 GICARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1O ZINC000006721609 204194496 /nfs/dbraw/zinc/19/44/96/204194496.db2.gz XUXHVKOEKKQXNG-FDDCHVKYSA-N 0 0 388.423 4.349 50 10 GICARN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(O)c1O ZINC000007884015 204253379 /nfs/dbraw/zinc/25/33/79/204253379.db2.gz GKROTNSZMDPZIO-QFIPXVFZSA-N 0 0 390.439 4.182 50 10 GICARN O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccccc1 ZINC000007884140 204253633 /nfs/dbraw/zinc/25/36/33/204253633.db2.gz CBFCZBDQAWCPNH-DEOSSOPVSA-N 0 0 399.494 4.290 50 10 GICARN Cc1ccc(-c2csc(N=CC3C(=O)OC4(CCCCC4)OC3=O)n2)cc1 ZINC000035592636 204267158 /nfs/dbraw/zinc/26/71/58/204267158.db2.gz ASHIAZQUJHJNAW-UHFFFAOYSA-N 0 0 384.457 4.175 50 10 GICARN COc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000009228644 204303571 /nfs/dbraw/zinc/30/35/71/204303571.db2.gz VYNDTHRMZIQQKN-UHFFFAOYSA-N 0 0 379.460 4.433 50 10 GICARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 ZINC000009228674 204303772 /nfs/dbraw/zinc/30/37/72/204303772.db2.gz JSWFKGTZSZTZGG-UHFFFAOYSA-N 0 0 393.443 4.153 50 10 GICARN CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OC(C)=O ZINC000013517241 204493250 /nfs/dbraw/zinc/49/32/50/204493250.db2.gz AVIHRKZFYMGWFH-ZDLGFXPLSA-N 0 0 398.846 4.470 50 10 GICARN O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(Br)cc1 ZINC000015008347 204553562 /nfs/dbraw/zinc/55/35/62/204553562.db2.gz QZMZVHSTKVMJDI-UKTHLTGXSA-N 0 0 377.288 4.250 50 10 GICARN Cc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c(C)n1-c1ccccc1 ZINC000016046706 204589260 /nfs/dbraw/zinc/58/92/60/204589260.db2.gz KLJDUTGVKURNLP-QFIPXVFZSA-N 0 0 388.467 4.271 50 10 GICARN CC(=O)c1cc2c(cc1NC(=O)c1ccc(-n3c(C)ccc3C)cc1)OCO2 ZINC000022372076 204779949 /nfs/dbraw/zinc/77/99/49/204779949.db2.gz IUPNTHGJMKJKSG-UHFFFAOYSA-N 0 0 376.412 4.278 50 10 GICARN CCCCN1C(=O)/C(=C/C=C/c2ccccc2)C(=O)N(Cc2ccco2)C1=O ZINC000006756783 205783076 /nfs/dbraw/zinc/78/30/76/205783076.db2.gz CYDBACUDORBDOG-UZYLVVNOSA-N 0 0 378.428 4.010 50 10 GICARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000007423168 205787255 /nfs/dbraw/zinc/78/72/55/205787255.db2.gz ULNVNLCMLPHVKF-UHFFFAOYSA-N 0 0 380.498 4.428 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000005967542 205773527 /nfs/dbraw/zinc/77/35/27/205773527.db2.gz WRSLCWOQHZGSSD-XSFVSMFZSA-N 0 0 395.430 4.492 50 10 GICARN CCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC1=S ZINC000024007515 205974970 /nfs/dbraw/zinc/97/49/70/205974970.db2.gz ZKLBLHRFSBYJDY-LGMDPLHJSA-N 0 0 383.542 4.446 50 10 GICARN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1Br ZINC000032914696 206096511 /nfs/dbraw/zinc/09/65/11/206096511.db2.gz BGDYUZFJDNRDBZ-UHFFFAOYSA-N 0 0 377.257 4.118 50 10 GICARN Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000010215400 221098388 /nfs/dbraw/zinc/09/83/88/221098388.db2.gz URVOPYQGLVPBJJ-XXBNENTESA-N 0 0 386.407 4.363 50 10 GICARN COc1ccc(N2CCN(C(=O)c3ccc(-c4ccco4)cc3)[C@H](C)C2)cc1 ZINC000072429322 136169986 /nfs/dbraw/zinc/16/99/86/136169986.db2.gz RULSFUUMQBHFMS-QGZVFWFLSA-N 0 0 376.456 4.306 50 10 GICARN COc1ccc(N2CCN(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)CC2)cc1 ZINC000000637415 570212996 /nfs/dbraw/zinc/21/29/96/570212996.db2.gz IZMJHNYTIKCDOH-OAHLLOKOSA-N 0 0 390.936 4.178 50 10 GICARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000000660046 570215087 /nfs/dbraw/zinc/21/50/87/570215087.db2.gz SSQYSHIZUOGRGU-NVNXTCNLSA-N 0 0 392.238 4.459 50 10 GICARN CCCCN(C)C(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O ZINC000019809341 570221123 /nfs/dbraw/zinc/22/11/23/570221123.db2.gz SOVKRGMGRQVHRJ-HXUWFJFHSA-N 0 0 386.923 4.231 50 10 GICARN O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCCc1ccccc1 ZINC000001137037 570247417 /nfs/dbraw/zinc/24/74/17/570247417.db2.gz WMNLEDHSBXIXIQ-PDGQHHTCSA-N 0 0 383.494 4.249 50 10 GICARN COc1ccc(CN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000001178908 570254830 /nfs/dbraw/zinc/25/48/30/570254830.db2.gz TWQSEDXXYSOOLZ-YBEGLDIGSA-N 0 0 386.454 4.005 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)cc1 ZINC000001206282 570257738 /nfs/dbraw/zinc/25/77/38/570257738.db2.gz GFEXPILUSKIBHZ-WQLSENKSSA-N 0 0 396.287 4.457 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S ZINC000001209358 570258178 /nfs/dbraw/zinc/25/81/78/570258178.db2.gz UDUYEDKGNFBLKO-PDGQHHTCSA-N 0 0 385.510 4.495 50 10 GICARN CCN(CC)c1ccc([C@@H]2N3CCC[C@H]3C(=O)N2c2cccc(OC)c2)cc1 ZINC000085988054 570264579 /nfs/dbraw/zinc/26/45/79/570264579.db2.gz HGRYIOYJKMMKFM-FCHUYYIVSA-N 0 0 379.504 4.051 50 10 GICARN CCCCOC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000001797524 570268781 /nfs/dbraw/zinc/26/87/81/570268781.db2.gz SJNNLMPEBTWTSV-UHFFFAOYSA-N 0 0 397.383 4.090 50 10 GICARN O=C1N=C(Nc2cccc(Cl)c2Cl)SC1=C1C(=O)Nc2ccccc21 ZINC000001846745 570269618 /nfs/dbraw/zinc/26/96/18/570269618.db2.gz MXCVSJFJFBAEKN-WYMLVPIESA-N 0 0 390.251 4.398 50 10 GICARN COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)CC(C)C ZINC000020724193 570276731 /nfs/dbraw/zinc/27/67/31/570276731.db2.gz BQPZAZHDTVBLEB-UHFFFAOYSA-N 0 0 392.503 4.440 50 10 GICARN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000002323102 570282558 /nfs/dbraw/zinc/28/25/58/570282558.db2.gz VFFUTXBYQYXFGX-LDADJPATSA-N 0 0 389.480 4.344 50 10 GICARN CCCCOC(=O)CCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S ZINC000002951619 570319845 /nfs/dbraw/zinc/31/98/45/570319845.db2.gz RHWSTNZSAHNRGX-SSZFMOIBSA-N 0 0 377.531 4.184 50 10 GICARN O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(Br)cc1 ZINC000003292397 570336216 /nfs/dbraw/zinc/33/62/16/570336216.db2.gz CLIIWUAFPDJNKR-UHFFFAOYSA-N 0 0 378.247 4.109 50 10 GICARN CCOc1ccc(NC(=O)N/C=C2\C(C)=NN(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000137954860 570425436 /nfs/dbraw/zinc/42/54/36/570425436.db2.gz JVRDCAMHRHWHPY-DEDYPNTBSA-N 0 0 392.459 4.130 50 10 GICARN CCN(CC)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000001875976 570438530 /nfs/dbraw/zinc/43/85/30/570438530.db2.gz RCHMXZLEDSTEFJ-QDEBQFNMSA-N 0 0 375.516 4.170 50 10 GICARN Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000028005337 570449397 /nfs/dbraw/zinc/44/93/97/570449397.db2.gz SDDLGBKSTJNQAE-UHFFFAOYSA-N 0 0 393.487 4.209 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C2=N)S1 ZINC000005218152 570513573 /nfs/dbraw/zinc/51/35/73/570513573.db2.gz LYETVSYVTXLMLN-ZJNHSXOMSA-N 0 0 391.500 4.432 50 10 GICARN N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000005255208 570530319 /nfs/dbraw/zinc/53/03/19/570530319.db2.gz AMMIENWZBRACBY-CTLFBJNRSA-N 0 0 398.488 4.077 50 10 GICARN O=C1c2c(O)ccc(O)c2C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 ZINC000034383525 570533150 /nfs/dbraw/zinc/53/31/50/570533150.db2.gz WABFZNNQLRGYNF-UHFFFAOYSA-N 0 0 377.994 4.487 50 10 GICARN CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc4ccccc4c3)C2=N)S1 ZINC000032964051 570547224 /nfs/dbraw/zinc/54/72/24/570547224.db2.gz KRHSRLFIZVPPKM-YORKJGNBSA-N 0 0 385.452 4.270 50 10 GICARN CC1=CN2C(=NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=N)S1 ZINC000032969764 570554774 /nfs/dbraw/zinc/55/47/74/570554774.db2.gz RONNGONKOKMBNV-FEPFWZQZSA-N 0 0 394.412 4.330 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000005516563 570623899 /nfs/dbraw/zinc/62/38/99/570623899.db2.gz SCFVCBOZLMQCPY-RPKGUNMRSA-N 0 0 377.473 4.042 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000034387835 570654686 /nfs/dbraw/zinc/65/46/86/570654686.db2.gz BLFBPJVNJCEJGE-OTHHCBNDSA-N 0 0 391.500 4.350 50 10 GICARN CC(C)N1C(=O)/C(=C/C=C\c2ccccc2)C(=O)N(CCc2ccccc2)C1=O ZINC000005789764 570690323 /nfs/dbraw/zinc/69/03/23/570690323.db2.gz FEUGTVODDFSFRQ-FBZYYTLLSA-N 0 0 388.467 4.068 50 10 GICARN CCc1cc2c(C)cc(=O)oc2c(C[N@H+](C)Cc2ccc(OC)c(F)c2)c1[O-] ZINC000032719967 570760025 /nfs/dbraw/zinc/76/00/25/570760025.db2.gz WBYBTBNJBAFSLR-UHFFFAOYSA-N 0 0 385.435 4.149 50 10 GICARN COc1ccc(CNC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)cc1 ZINC000013623610 570763391 /nfs/dbraw/zinc/76/33/91/570763391.db2.gz XKCFXQWCNXCRJC-CPNJWEJPSA-N 0 0 392.484 4.091 50 10 GICARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)nc1Cl ZINC000013629950 570764301 /nfs/dbraw/zinc/76/43/01/570764301.db2.gz AXAQKIHHPAIKTN-UHFFFAOYSA-N 0 0 397.217 4.416 50 10 GICARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1 ZINC000013712546 570777953 /nfs/dbraw/zinc/77/79/53/570777953.db2.gz KUQSMAGRAOIMHF-SXGWCWSVSA-N 0 0 375.446 4.249 50 10 GICARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c1 ZINC000013765726 570786541 /nfs/dbraw/zinc/78/65/41/570786541.db2.gz BMHSNUZXRJJCRZ-BOPFTXTBSA-N 0 0 387.482 4.118 50 10 GICARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3CCCCC3)C2=O)cc1 ZINC000013799671 570791120 /nfs/dbraw/zinc/79/11/20/570791120.db2.gz BYYYTDZKJYHIKC-LGMDPLHJSA-N 0 0 388.558 4.035 50 10 GICARN COc1ccccc1[C@@H](NC(=O)c1ccccc1)c1ccc2cccnc2c1O ZINC000001209707 570793745 /nfs/dbraw/zinc/79/37/45/570793745.db2.gz HZDPJEOGRSUVDG-JOCHJYFZSA-N 0 0 384.435 4.468 50 10 GICARN O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCCOc1ccccc1 ZINC000013896384 570799919 /nfs/dbraw/zinc/79/99/19/570799919.db2.gz KMQCZHLUSZYZJF-WJDWOHSUSA-N 0 0 391.901 4.287 50 10 GICARN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(F)cc4)N=C3C)sc2c1 ZINC000101122343 570815275 /nfs/dbraw/zinc/81/52/75/570815275.db2.gz IKLIYRRFAGJZKG-XNTDXEJSSA-N 0 0 382.420 4.163 50 10 GICARN O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccccc1 ZINC000001847295 570820865 /nfs/dbraw/zinc/82/08/65/570820865.db2.gz UCMMZCUQCCIRNO-UVZCHINQSA-N 0 0 380.494 4.083 50 10 GICARN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000170609732 570866182 /nfs/dbraw/zinc/86/61/82/570866182.db2.gz HFJFCMIBLDDVEI-OAHLLOKOSA-N 0 0 390.439 4.082 50 10 GICARN COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000102829022 570866361 /nfs/dbraw/zinc/86/63/61/570866361.db2.gz FFWLQISPOPZIPC-XXBNENTESA-N 0 0 387.439 4.347 50 10 GICARN Cc1cc(C(=O)OCc2noc(-c3ccco3)n2)c(C)n1-c1ccc(F)cc1 ZINC000012607295 570889191 /nfs/dbraw/zinc/88/91/91/570889191.db2.gz IVJVIQBKVSFTCO-UHFFFAOYSA-N 0 0 381.363 4.233 50 10 GICARN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(Cl)cc1 ZINC000016675843 570930423 /nfs/dbraw/zinc/93/04/23/570930423.db2.gz JHZFIMURXJYITD-NBVRZTHBSA-N 0 0 383.904 4.133 50 10 GICARN CCO/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 ZINC000016681936 570930745 /nfs/dbraw/zinc/93/07/45/570930745.db2.gz RWBAKSQADHOAMU-AQTBWJFISA-N 0 0 393.468 4.366 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)cc1 ZINC000170636923 570936821 /nfs/dbraw/zinc/93/68/21/570936821.db2.gz UEBDDKVALZHIMU-UHFFFAOYSA-N 0 0 379.407 4.499 50 10 GICARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 ZINC000017083554 570941660 /nfs/dbraw/zinc/94/16/60/570941660.db2.gz HSCXIOBLWYERFL-ANRSDYALSA-N 0 0 393.306 4.195 50 10 GICARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc3c(c2)OCCO3)CO1 ZINC000002120250 570955510 /nfs/dbraw/zinc/95/55/10/570955510.db2.gz HDVDYXFFRJSSBO-UHFFFAOYSA-N 0 0 393.439 4.263 50 10 GICARN CCOc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S ZINC000001293684 570956157 /nfs/dbraw/zinc/95/61/57/570956157.db2.gz VHYPLDSORUMIHC-BOPFTXTBSA-N 0 0 387.482 4.205 50 10 GICARN CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000004134832 570962067 /nfs/dbraw/zinc/96/20/67/570962067.db2.gz VNQNXJRDCHEFSS-SSZFMOIBSA-N 0 0 393.530 4.020 50 10 GICARN CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000001416690 570992186 /nfs/dbraw/zinc/99/21/86/570992186.db2.gz KSAGQGFCAIBLBV-QGOAFFKASA-N 0 0 383.542 4.224 50 10 GICARN CC1(C)Cc2c(cnn2-c2ccccc2)-c2nnc3c(c21)C(=O)c1ccccc1-3 ZINC000002193334 570995005 /nfs/dbraw/zinc/99/50/05/570995005.db2.gz NGMGOQWMWFUXTF-UHFFFAOYSA-N 0 0 378.435 4.374 50 10 GICARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCc2ccccc2C1 ZINC000002271330 817382085 /nfs/dbraw/zinc/38/20/85/817382085.db2.gz CZFNXJMEXZWRLC-WCWDXBQESA-N 0 0 378.432 4.410 50 10 GICARN O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(O)c1 ZINC000002361619 817385633 /nfs/dbraw/zinc/38/56/33/817385633.db2.gz FRVGXZYSWCACAO-SFQUDFHCSA-N 0 0 398.509 4.012 50 10 GICARN CCCCC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)O1 ZINC000002363817 817385800 /nfs/dbraw/zinc/38/58/00/817385800.db2.gz GVDGJUMGEHDYLL-UHFFFAOYSA-N 0 0 398.411 4.123 50 10 GICARN O=C1NC(=S)N(C2CC2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000002372425 817386156 /nfs/dbraw/zinc/38/61/56/817386156.db2.gz LFAGIKOILPTKFU-SFQUDFHCSA-N 0 0 387.464 4.464 50 10 GICARN COc1ccc(N2CCN(c3ncnc4c3[nH]c3cccc(C)c34)C[C@H]2C)cc1 ZINC000002403060 817387429 /nfs/dbraw/zinc/38/74/29/817387429.db2.gz OXXRKQDODAAULS-MRXNPFEDSA-N 0 0 387.487 4.143 50 10 GICARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(N(C)C)cc2)sc2c1CCC2 ZINC000003175849 817419850 /nfs/dbraw/zinc/41/98/50/817419850.db2.gz TXVJYOQALNXXQD-JLHYYAGUSA-N 0 0 384.501 4.131 50 10 GICARN CCOC(=O)C(=Cc1cc(C)n(-c2ccccc2Cl)c1C)C(=O)OCC ZINC000003177239 817420391 /nfs/dbraw/zinc/42/03/91/817420391.db2.gz VCTXLJZAJZICML-UHFFFAOYSA-N 0 0 375.852 4.257 50 10 GICARN CCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000004263427 817514477 /nfs/dbraw/zinc/51/44/77/817514477.db2.gz JCTYXSHZJVIOFL-ICFOKQHNSA-N 0 0 390.574 4.365 50 10 GICARN Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)c1ccc(Cl)cc1 ZINC000019594748 818594375 /nfs/dbraw/zinc/59/43/75/818594375.db2.gz MJXJZTIBKCEMHR-UHFFFAOYSA-N 0 0 385.847 4.163 50 10 GICARN Oc1c([C@@H](c2ccc(Br)cc2)N2CCOCC2)ccc2cccnc21 ZINC000021554801 818702960 /nfs/dbraw/zinc/70/29/60/818702960.db2.gz SNCXLSBVBJAJHM-LJQANCHMSA-N 0 0 399.288 4.125 50 10 GICARN COc1c(O)c2c(c3cc(Br)ccc31)C(=O)c1ccccc1C2=O ZINC000039141226 821103636 /nfs/dbraw/zinc/10/36/36/821103636.db2.gz QKRVMJLNYGDPST-UHFFFAOYSA-N 0 0 383.197 4.092 50 10 GICARN O=C1/C(=C\c2cnn(-c3ccc(Cl)cc3)c2)SC(=S)N1c1cccnc1 ZINC000044024171 821505528 /nfs/dbraw/zinc/50/55/28/821505528.db2.gz XMTAMCMDSLHRTF-LZYBPNLTSA-N 0 0 398.900 4.327 50 10 GICARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000048534120 822670430 /nfs/dbraw/zinc/67/04/30/822670430.db2.gz PSHIYWSVKLUMMZ-YPKPFQOOSA-N 0 0 378.925 4.229 50 10 GICARN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000001416712 203907921 /nfs/dbraw/zinc/90/79/21/203907921.db2.gz UBEWLIWBXCRECY-WJDWOHSUSA-N 0 0 385.470 4.067 50 10 GICARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)CC1 ZINC000002264123 203933378 /nfs/dbraw/zinc/93/33/78/203933378.db2.gz GWRATAKZWNTHML-RGEXLXHISA-N 0 0 397.931 4.441 50 10 GICARN CN(C)c1ccc(C2(CC(=O)Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000002281406 203935512 /nfs/dbraw/zinc/93/55/12/203935512.db2.gz OTXXGBVZJPVLLI-UHFFFAOYSA-N 0 0 398.462 4.098 50 10 GICARN Cc1cccc(OCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 ZINC000002966292 203977319 /nfs/dbraw/zinc/97/73/19/203977319.db2.gz NABPPVBCFQKWOF-QGOAFFKASA-N 0 0 385.510 4.284 50 10 GICARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S ZINC000003215426 203989636 /nfs/dbraw/zinc/98/96/36/203989636.db2.gz JUNATDGBPHXKMA-WJDWOHSUSA-N 0 0 381.482 4.353 50 10 GICARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C ZINC000002630843 203952391 /nfs/dbraw/zinc/95/23/91/203952391.db2.gz YXJWYWWZMPTTNK-UHFFFAOYSA-N 0 0 392.455 4.281 50 10 GICARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3O)C2)cc1 ZINC000004292051 204036853 /nfs/dbraw/zinc/03/68/53/204036853.db2.gz AXTQBBDRNAYVKG-SFHVURJKSA-N 0 0 378.453 4.454 50 10 GICARN Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1-c1ccc(F)cc1 ZINC000003347702 204000275 /nfs/dbraw/zinc/00/02/75/204000275.db2.gz BFBVNUQWGIBTIL-UHFFFAOYSA-N 0 0 392.352 4.297 50 10 GICARN Cc1cc(C(=O)COC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003372991 204002796 /nfs/dbraw/zinc/00/27/96/204002796.db2.gz ILKHGRIDFBOTDY-ZBEGNZNMSA-N 0 0 377.387 4.077 50 10 GICARN O=C(c1ccccc1Cl)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000004248181 204034561 /nfs/dbraw/zinc/03/45/61/204034561.db2.gz GSVQHLGWAVODTC-LJQANCHMSA-N 0 0 377.831 4.432 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C2=N)S1 ZINC000004908970 204089647 /nfs/dbraw/zinc/08/96/47/204089647.db2.gz LYNVEYMASBBPOJ-XGXACIPPSA-N 0 0 377.473 4.123 50 10 GICARN N=C1/C(=C\c2cccn2-c2ccc(Cl)c(Cl)c2)C(=O)N=C2SC=NN21 ZINC000004908856 204090041 /nfs/dbraw/zinc/09/00/41/204090041.db2.gz ITPLAHXJCFFLPL-KCKSZYKISA-N 0 0 390.255 4.033 50 10 GICARN CSc1c(C(=O)NCc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000004573267 204055034 /nfs/dbraw/zinc/05/50/34/204055034.db2.gz QABIHVCAZZHFHI-UHFFFAOYSA-N 0 0 387.460 4.114 50 10 GICARN O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000005093743 204111229 /nfs/dbraw/zinc/11/12/29/204111229.db2.gz DRONLQWAXZIHMK-UHFFFAOYSA-N 0 0 391.335 4.037 50 10 GICARN CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000005128667 204113603 /nfs/dbraw/zinc/11/36/03/204113603.db2.gz UMIZUDJZBHTQRN-YBEGLDIGSA-N 0 0 385.470 4.067 50 10 GICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000005337660 204126731 /nfs/dbraw/zinc/12/67/31/204126731.db2.gz HSFPNDXRCIJNSN-WQRHYEAKSA-N 0 0 378.432 4.084 50 10 GICARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc(Br)cn1 ZINC000004945294 204095843 /nfs/dbraw/zinc/09/58/43/204095843.db2.gz IEVQDKYXKYBDBQ-UHFFFAOYSA-N 0 0 397.685 4.105 50 10 GICARN COc1cccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)c1 ZINC000004949816 204096592 /nfs/dbraw/zinc/09/65/92/204096592.db2.gz GTGIZKMPVSADPH-NRFANRHFSA-N 0 0 384.435 4.468 50 10 GICARN O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccccc1Cl ZINC000005054726 204107142 /nfs/dbraw/zinc/10/71/42/204107142.db2.gz YNKIDOIXJGVBFJ-ZROIWOOFSA-N 0 0 392.864 4.025 50 10 GICARN CN(C)c1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccccc2)cc1 ZINC000005393723 204130382 /nfs/dbraw/zinc/13/03/82/204130382.db2.gz XMGVMXJGBXHXHE-UHFFFAOYSA-N 0 0 399.494 4.050 50 10 GICARN Nc1c(N2CCCC2)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000005451781 204133435 /nfs/dbraw/zinc/13/34/35/204133435.db2.gz QDPRNVUCZSIGLO-UHFFFAOYSA-N 0 0 383.451 4.388 50 10 GICARN COc1ccc(OC)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000005477789 204134284 /nfs/dbraw/zinc/13/42/84/204134284.db2.gz OWVOFHKAIYQTAW-AQTBWJFISA-N 0 0 385.510 4.148 50 10 GICARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(F)cc1 ZINC000006414972 204178550 /nfs/dbraw/zinc/17/85/50/204178550.db2.gz CSSRBJIRZPBBQS-UHFFFAOYSA-N 0 0 386.810 4.321 50 10 GICARN COc1ccc(C2(Nc3ccc(C(C)=O)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000006902056 204223139 /nfs/dbraw/zinc/22/31/39/204223139.db2.gz NOSKSHHOYCGFCQ-UHFFFAOYSA-N 0 0 385.419 4.284 50 10 GICARN Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000006993320 204228468 /nfs/dbraw/zinc/22/84/68/204228468.db2.gz MFEOIPQRZOXTHC-UHFFFAOYSA-N 0 0 384.480 4.443 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)o3)c2C)cc1 ZINC000007289019 204238649 /nfs/dbraw/zinc/23/86/49/204238649.db2.gz NXHUAPJIDUGUCF-UHFFFAOYSA-N 0 0 383.473 4.338 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)ccc3OC)n2C)cc1 ZINC000007423670 204241612 /nfs/dbraw/zinc/24/16/12/204241612.db2.gz DVPNVYYNDMXZBQ-UHFFFAOYSA-N 0 0 397.500 4.144 50 10 GICARN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2c(C)noc2C)cc1 ZINC000007988646 204257587 /nfs/dbraw/zinc/25/75/87/204257587.db2.gz SHTNVUOKDADEIJ-UHFFFAOYSA-N 0 0 379.460 4.213 50 10 GICARN CN(C)c1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1 ZINC000009188349 204302127 /nfs/dbraw/zinc/30/21/27/204302127.db2.gz SSLUTXFKJLEQEA-JXAWBTAJSA-N 0 0 384.526 4.033 50 10 GICARN COc1ccccc1NC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C ZINC000009228861 204302882 /nfs/dbraw/zinc/30/28/82/204302882.db2.gz HUSNDCRZYANJIK-UHFFFAOYSA-N 0 0 379.460 4.433 50 10 GICARN Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(C)C3=O)cc2c1 ZINC000020310803 204710130 /nfs/dbraw/zinc/71/01/30/204710130.db2.gz MECQKOGAAZIEFH-ATVHPVEESA-N 0 0 383.542 4.365 50 10 GICARN Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1 ZINC000028288118 204871037 /nfs/dbraw/zinc/87/10/37/204871037.db2.gz RJTWXZJYFQDBCR-UHFFFAOYSA-N 0 0 375.472 4.068 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(C)c1C ZINC000033904593 204969032 /nfs/dbraw/zinc/96/90/32/204969032.db2.gz VKMOCPPDUUUAPO-OTHHCBNDSA-N 0 0 391.500 4.350 50 10 GICARN Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)c(C)n1-c1ccccc1F ZINC000048276555 205115930 /nfs/dbraw/zinc/11/59/30/205115930.db2.gz KIHRPOGNCDLERU-UHFFFAOYSA-N 0 0 393.418 4.442 50 10 GICARN CC(=O)Nc1ccc(C2(C(=O)NCc3ccc(N(C)C)cc3)CCCCC2)cc1 ZINC000065027464 205207036 /nfs/dbraw/zinc/20/70/36/205207036.db2.gz DNLMLTXEMSLVDS-UHFFFAOYSA-N 0 0 393.531 4.229 50 10 GICARN Cc1cc(C(=O)Nc2cnn(-c3ccccc3F)c2C)c(C)n1-c1ccccn1 ZINC000129741538 205692187 /nfs/dbraw/zinc/69/21/87/205692187.db2.gz JLYMSFNAUGTGDI-UHFFFAOYSA-N 0 0 389.434 4.375 50 10 GICARN N=C1/C(=C/c2ccco2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000033457495 206098421 /nfs/dbraw/zinc/09/84/21/206098421.db2.gz ABDGPYIQRSDXEF-GIOQYDBOSA-N 0 0 380.473 4.115 50 10 GICARN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(O)c(Br)c1 ZINC000096121216 206119356 /nfs/dbraw/zinc/11/93/56/206119356.db2.gz NGKBZAOVEKDTAM-NTEUORMPSA-N 0 0 381.295 4.047 50 10 GICARN Cc1ccc(S(=O)(=O)NN=c2[nH]c(-c3ccc(Cl)cc3)cs2)cc1 ZINC000001415091 206211906 /nfs/dbraw/zinc/21/19/06/206211906.db2.gz WGZZBVNQRZNIHV-UHFFFAOYSA-N 0 0 379.894 4.077 50 10 GICARN CN1c2ccccc2S[C@H]2C=CC(CCN3C(=O)c4ccccc4C3=O)=C[C@@H]21 ZINC000048024942 132429346 /nfs/dbraw/zinc/42/93/46/132429346.db2.gz CLJYTWXMEAQEJM-FPOVZHCZSA-N 0 0 388.492 4.148 50 10 GICARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(Br)cn1C ZINC000012813844 136200567 /nfs/dbraw/zinc/20/05/67/136200567.db2.gz RRMLWYZDQSNIMB-UHFFFAOYSA-N 0 0 390.325 4.050 50 10 GICARN COc1ccc(N2CCN(C(=O)c3ccc(SC(F)(F)F)cc3)CC2)cc1 ZINC000012610341 136200633 /nfs/dbraw/zinc/20/06/33/136200633.db2.gz DSWUVYBKNGFUMD-UHFFFAOYSA-N 0 0 396.434 4.270 50 10 GICARN COc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1 ZINC000002116938 536707046 /nfs/dbraw/zinc/70/70/46/536707046.db2.gz ZSXGYSRRPOAJEL-UHFFFAOYSA-N 0 0 377.440 4.345 50 10 GICARN COc1cccc(-c2nn(CN3CCCc4cc(OC)ccc43)c(=S)n2C)c1 ZINC000000716348 570220041 /nfs/dbraw/zinc/22/00/41/570220041.db2.gz XYPCOYXFAZFMHL-UHFFFAOYSA-N 0 0 396.516 4.046 50 10 GICARN Cc1ccc(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000019798559 570220288 /nfs/dbraw/zinc/22/02/88/570220288.db2.gz LVTNFRBFFDRXAT-AQTBWJFISA-N 0 0 385.510 4.332 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccccc3)c2)SC1=S ZINC000001015902 570235064 /nfs/dbraw/zinc/23/50/64/570235064.db2.gz AZBAROKPKWAUIF-PDGQHHTCSA-N 0 0 385.510 4.495 50 10 GICARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006096700 570242794 /nfs/dbraw/zinc/24/27/94/570242794.db2.gz PWBQFERDVGNGGR-RIYZIHGNSA-N 0 0 377.784 4.470 50 10 GICARN COc1ccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001504367 570252152 /nfs/dbraw/zinc/25/21/52/570252152.db2.gz LXPCEUUYYSUEPK-UHFFFAOYSA-N 0 0 385.419 4.041 50 10 GICARN O=C1/C(=C\c2ccccc2F)SC(=S)N1CNc1cccc([N+](=O)[O-])c1 ZINC000001195257 570257385 /nfs/dbraw/zinc/25/73/85/570257385.db2.gz PWQGZAKTLNCZMS-OVCLIPMQSA-N 0 0 389.433 4.005 50 10 GICARN CC(=O)N1CCc2cc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)ccc21 ZINC000022642602 570324285 /nfs/dbraw/zinc/32/42/85/570324285.db2.gz RPTDFKVMJQAUSD-UHFFFAOYSA-N 0 0 391.446 4.395 50 10 GICARN CCOC(=O)c1c(C)nc2c(c1-c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1-2 ZINC000016683058 570494279 /nfs/dbraw/zinc/49/42/79/570494279.db2.gz BJSKPTIMDVAYEI-UHFFFAOYSA-N 0 0 388.379 4.353 50 10 GICARN Cc1cc(N2CCOCC2)ccc1[C@H]1Nc2cc(Cl)ccc2-c2ccnn21 ZINC000030952912 570501795 /nfs/dbraw/zinc/50/17/95/570501795.db2.gz FLYSPJBZRMUGBW-NRFANRHFSA-N 0 0 380.879 4.321 50 10 GICARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H](c2ccccc2)C12C(=O)c1ccccc1C2=O ZINC000022781074 570538868 /nfs/dbraw/zinc/53/88/68/570538868.db2.gz LTUQYWGSUQFIAA-WOJBJXKFSA-N 0 0 397.386 4.257 50 10 GICARN COC(=O)c1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000013816203 570698888 /nfs/dbraw/zinc/69/88/88/570698888.db2.gz DGFMSPNSKHGNIQ-NRFANRHFSA-N 0 0 385.423 4.324 50 10 GICARN Cn1c2ccccc2nc1-c1cc2ccc([O-])c(C[NH+]3CCCCC3)c2oc1=O ZINC000000941145 570731507 /nfs/dbraw/zinc/73/15/07/570731507.db2.gz ONSWFSMTLCWFGK-UHFFFAOYSA-N 0 0 389.455 4.038 50 10 GICARN O=C1C(=Cc2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000000970351 570740564 /nfs/dbraw/zinc/74/05/64/570740564.db2.gz YOPDFCCCGUXSFW-UHFFFAOYSA-N 0 0 384.460 4.435 50 10 GICARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000013551158 570757720 /nfs/dbraw/zinc/75/77/20/570757720.db2.gz XDVZBBHKOJWUPB-VMRPVKRXSA-N 0 0 399.535 4.283 50 10 GICARN COc1ccccc1N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S ZINC000013721726 570780590 /nfs/dbraw/zinc/78/05/90/570780590.db2.gz DOCGQKVLNHUNNY-GZTJUZNOSA-N 0 0 379.466 4.044 50 10 GICARN COc1ccc(N2CCN(C(=O)c3cc4cn(C(C)C)cc4s3)CC2)cc1 ZINC000065285430 570781133 /nfs/dbraw/zinc/78/11/33/570781133.db2.gz SOMRWCBTYTXEPZ-UHFFFAOYSA-N 0 0 383.517 4.255 50 10 GICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000013881625 570798489 /nfs/dbraw/zinc/79/84/89/570798489.db2.gz HOIOXOBHLUHDFC-NVNXTCNLSA-N 0 0 391.290 4.489 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(OC)c1OC ZINC000013899610 570800340 /nfs/dbraw/zinc/80/03/40/570800340.db2.gz XDSDRQRXHUFWJX-RVDMUPIBSA-N 0 0 393.530 4.246 50 10 GICARN CC(C)(C)NC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001808802 570817557 /nfs/dbraw/zinc/81/75/57/570817557.db2.gz KDGLXQCLTBZGIQ-PEZBUJJGSA-N 0 0 390.574 4.363 50 10 GICARN CC(C)c1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cnn(C(C)C)c2n1 ZINC000012564062 570869457 /nfs/dbraw/zinc/86/94/57/570869457.db2.gz KJCUBRIRYNREKT-UHFFFAOYSA-N 0 0 379.508 4.132 50 10 GICARN O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1Cc1ccccc1 ZINC000015012018 570871470 /nfs/dbraw/zinc/87/14/70/570871470.db2.gz XMMCYZATBDMDIP-LICLKQGHSA-N 0 0 379.462 4.194 50 10 GICARN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C)cc1 ZINC000015723578 570902814 /nfs/dbraw/zinc/90/28/14/570902814.db2.gz DHKPHKWBWSLFKR-FYJGNVAPSA-N 0 0 385.492 4.173 50 10 GICARN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccnc2Cl)c(C)n1-c1ccccc1 ZINC000015811865 570905084 /nfs/dbraw/zinc/90/50/84/570905084.db2.gz IVMDJXJCCBPJIQ-HNNXBMFYSA-N 0 0 397.862 4.327 50 10 GICARN Cc1ccc(COc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000017172954 570942822 /nfs/dbraw/zinc/94/28/22/570942822.db2.gz YAFBAJPONPQLGB-RCCKNPSSSA-N 0 0 384.435 4.035 50 10 GICARN Oc1ccc(Br)cc1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000019361434 570979778 /nfs/dbraw/zinc/97/97/78/570979778.db2.gz MKNKFDYIKXREQP-UHFFFAOYSA-N 0 0 395.728 4.126 50 10 GICARN Cc1c(C)c(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000098086521 570992088 /nfs/dbraw/zinc/99/20/88/570992088.db2.gz AVPROLFTEJFVKX-MOSHPQCFSA-N 0 0 393.462 4.136 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1O ZINC000002307341 817383307 /nfs/dbraw/zinc/38/33/07/817383307.db2.gz FCXMOSRWUYENDH-RGEXLXHISA-N 0 0 393.439 4.058 50 10 GICARN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c([N+](=O)[O-])cc1OC ZINC000002303127 817383481 /nfs/dbraw/zinc/38/34/81/817383481.db2.gz HWBLCKFDDBNRBD-NTUHNPAUSA-N 0 0 387.775 4.247 50 10 GICARN COc1ccc(N2CC[C@@H](CNC(=S)Nc3cccc(Cl)c3C)C2)cc1 ZINC000003051045 817415527 /nfs/dbraw/zinc/41/55/27/817415527.db2.gz PFAXDQNADLIEAM-HNNXBMFYSA-N 0 0 389.952 4.470 50 10 GICARN COc1ccc(N2CC[C@@H](CNC(=S)Nc3ccccc3Cl)C2)cc1 ZINC000003050185 817415653 /nfs/dbraw/zinc/41/56/53/817415653.db2.gz OGEXSLJYJYKBMN-AWEZNQCLSA-N 0 0 375.925 4.162 50 10 GICARN CCN(CC)c1ccc2c(c1)OC(=O)N[C@@]2(c1ccc(OC)cc1)C(F)(F)F ZINC000003164059 817418899 /nfs/dbraw/zinc/41/88/99/817418899.db2.gz MZSLQGPWGPDIPI-LJQANCHMSA-N 0 0 394.393 4.449 50 10 GICARN Cc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1 ZINC000003249853 817427471 /nfs/dbraw/zinc/42/74/71/817427471.db2.gz AOMNSBAKKPRJOM-KRWDZBQOSA-N 0 0 376.456 4.128 50 10 GICARN CCOc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000003316846 817435486 /nfs/dbraw/zinc/43/54/86/817435486.db2.gz MUGXBXBJPPONBC-UHFFFAOYSA-N 0 0 392.455 4.288 50 10 GICARN COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004151431 817506878 /nfs/dbraw/zinc/50/68/78/817506878.db2.gz WTGRLGCHWTUYKT-BXWFABGCSA-N 0 0 380.400 4.217 50 10 GICARN O=c1oc2c(ccc([O-])c2C[NH+]2CCCCC2)cc1-c1nc2ccccc2[nH]1 ZINC000004247242 817512219 /nfs/dbraw/zinc/51/22/19/817512219.db2.gz ASPSPJHQTSHUPK-UHFFFAOYSA-N 0 0 375.428 4.028 50 10 GICARN COc1cc(Br)cc(CN2CCCC[C@H]2c2cccnc2)c1O ZINC000004982718 817544298 /nfs/dbraw/zinc/54/42/98/817544298.db2.gz UYUPNFCBGNOAPH-INIZCTEOSA-N 0 0 377.282 4.286 50 10 GICARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)ccc1O ZINC000020070659 818613152 /nfs/dbraw/zinc/61/31/52/818613152.db2.gz STUHSFOQOSLBEY-JPYJTQIMSA-N 0 0 388.423 4.349 50 10 GICARN COc1cccc2c1O[C@H](c1ccc(O)cc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000020071036 818613213 /nfs/dbraw/zinc/61/32/13/818613213.db2.gz AQBZPQHKMNOUDG-WMZHIEFXSA-N 0 0 388.423 4.349 50 10 GICARN O=C(CCc1c[nH]c2ccccc12)N1CCOc2ccc(N3CCCC3)cc2C1 ZINC000575542458 823975461 /nfs/dbraw/zinc/97/54/61/823975461.db2.gz UFRUXKLKIHZJAG-UHFFFAOYSA-N 0 0 389.499 4.122 50 10 GICARN CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000227486601 203791518 /nfs/dbraw/zinc/79/15/18/203791518.db2.gz DSUXZMFAJHEAQV-WMZHIEFXSA-N 0 0 387.439 4.428 50 10 GICARN O=C1c2ccc(N3CCN(c4ccccc4)CC3)c3noc(c32)-c2ccccc21 ZINC000001063452 203879471 /nfs/dbraw/zinc/87/94/71/203879471.db2.gz UOWMYRPZXRHEGU-UHFFFAOYSA-N 0 0 381.435 4.366 50 10 GICARN O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(Cl)cc1 ZINC000001312393 203901383 /nfs/dbraw/zinc/90/13/83/203901383.db2.gz OOUQPKQEGQDEKJ-JYRVWZFOSA-N 0 0 394.930 4.241 50 10 GICARN CCn1cc(C=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000002371879 203940426 /nfs/dbraw/zinc/94/04/26/203940426.db2.gz PQMPSPMUIGTPDM-LDADJPATSA-N 0 0 389.480 4.328 50 10 GICARN COc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1Cl ZINC000002437646 203944150 /nfs/dbraw/zinc/94/41/50/203944150.db2.gz LBBKUESSGLMKCR-UHFFFAOYSA-N 0 0 383.831 4.300 50 10 GICARN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C(C(=O)OC)=C1C ZINC000003651907 204016597 /nfs/dbraw/zinc/01/65/97/204016597.db2.gz IOAATRBNGTWDJB-MOSHPQCFSA-N 0 0 378.472 4.095 50 10 GICARN Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O ZINC000003659331 204018800 /nfs/dbraw/zinc/01/88/00/204018800.db2.gz QDYVNQMOWGIYHB-KGENOOAVSA-N 0 0 393.462 4.217 50 10 GICARN Nc1nn2c([nH]c(=O)cc2-c2ccccc2)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000003848943 204021848 /nfs/dbraw/zinc/02/18/48/204021848.db2.gz UWXSZZITEQYONC-QURGRASLSA-N 0 0 375.348 4.008 50 10 GICARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2O)cc1 ZINC000003999725 204022719 /nfs/dbraw/zinc/02/27/19/204022719.db2.gz UPXMYVPGRWFYCY-OAQYLSRUSA-N 0 0 376.412 4.181 50 10 biogenic,in-vitro GICARN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000004172136 204030117 /nfs/dbraw/zinc/03/01/17/204030117.db2.gz HLPFWSVVQWOJLB-SIFCLUCFSA-N 0 0 382.416 4.447 50 10 GICARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)o1 ZINC000004180345 204031089 /nfs/dbraw/zinc/03/10/89/204031089.db2.gz JADSDZBBAYDOES-UHFFFAOYSA-N 0 0 396.196 4.070 50 10 GICARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3O)C2)cc1 ZINC000004248185 204034897 /nfs/dbraw/zinc/03/48/97/204034897.db2.gz DZQVVFKRTCZLEB-OAQYLSRUSA-N 0 0 392.480 4.241 50 10 GICARN O=C1N=C(Nc2cccc(Br)c2)SC1=Cc1ccc(O)cc1 ZINC000004695913 204065285 /nfs/dbraw/zinc/06/52/85/204065285.db2.gz SBNMGGZLWSUOND-ZSOIEALJSA-N 0 0 375.247 4.237 50 10 GICARN Cc1ccc(C2=C/C(=C\c3cc4c(cc3Br)OCO4)C(=O)O2)cc1 ZINC000004812353 204078136 /nfs/dbraw/zinc/07/81/36/204078136.db2.gz MQIUJGNGJJBJFP-MKMNVTDBSA-N 0 0 385.213 4.468 50 10 GICARN Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1Cl ZINC000004602918 204057234 /nfs/dbraw/zinc/05/72/34/204057234.db2.gz OSOGTULXLTXYDE-PFONDFGASA-N 0 0 386.885 4.377 50 10 GICARN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccc1Cl ZINC000005026101 204103721 /nfs/dbraw/zinc/10/37/21/204103721.db2.gz LSVCJHMZHZXGMD-JXAWBTAJSA-N 0 0 383.904 4.133 50 10 GICARN CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S ZINC000005052628 204106795 /nfs/dbraw/zinc/10/67/95/204106795.db2.gz VKOPTBUYKSOQPE-NTUHNPAUSA-N 0 0 380.834 4.339 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 ZINC000005699938 204147896 /nfs/dbraw/zinc/14/78/96/204147896.db2.gz NHGHRBRKBOKKIS-UHFFFAOYSA-N 0 0 375.472 4.079 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2OC(F)F)SC1=S ZINC000005981363 204160534 /nfs/dbraw/zinc/16/05/34/204160534.db2.gz VOBSKUVRGSNRKH-BJMVGYQFSA-N 0 0 381.372 4.111 50 10 GICARN O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000006862848 204215952 /nfs/dbraw/zinc/21/59/52/204215952.db2.gz AESLIFGTIXXJKN-GIDUJCDVSA-N 0 0 379.796 4.127 50 10 GICARN Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000007348591 204239758 /nfs/dbraw/zinc/23/97/58/204239758.db2.gz XAUFQGRZJWKWCR-UHFFFAOYSA-N 0 0 378.472 4.262 50 10 GICARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2O)cc1 ZINC000007884035 204253778 /nfs/dbraw/zinc/25/37/78/204253778.db2.gz HBBWRAQAZSJRTF-OAQYLSRUSA-N 0 0 376.412 4.268 50 10 GICARN CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000009338713 204307397 /nfs/dbraw/zinc/30/73/97/204307397.db2.gz NACHFRASRNYHET-UHFFFAOYSA-N 0 0 395.551 4.059 50 10 GICARN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccn1 ZINC000012545984 204421782 /nfs/dbraw/zinc/42/17/82/204421782.db2.gz BGMHVQWCWLUFAS-HNNXBMFYSA-N 0 0 397.862 4.327 50 10 GICARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000013711713 204506375 /nfs/dbraw/zinc/50/63/75/204506375.db2.gz JOOMUBLUUDPGRR-DFBITEFZSA-N 0 0 381.478 4.373 50 10 GICARN Cc1ccc(OCCOc2ccccc2C=C2SC(=S)NC2=O)cc1C ZINC000013940055 204517869 /nfs/dbraw/zinc/51/78/69/204517869.db2.gz PYQNLPOUKXSHJY-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN CCOc1ccc(-c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)[nH]n2)cc1 ZINC000057413651 205156208 /nfs/dbraw/zinc/15/62/08/205156208.db2.gz GAMOHUSUOXQTRU-UHFFFAOYSA-N 0 0 390.487 4.006 50 10 GICARN COc1c(C)cnc(CNC(=O)c2cc(C)n(-c3ccccc3F)c2C)c1C ZINC000065164301 205214536 /nfs/dbraw/zinc/21/45/36/205214536.db2.gz KALBPOQSBOMYHD-UHFFFAOYSA-N 0 0 381.451 4.184 50 10 GICARN CCn1cc([C@@H]2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000071785148 205297523 /nfs/dbraw/zinc/29/75/23/205297523.db2.gz ALURYFJQWDHASB-FQEVSTJZSA-N 0 0 391.431 4.181 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)SC1=S ZINC000001206754 205706927 /nfs/dbraw/zinc/70/69/27/205706927.db2.gz IVAMPNUHHHYJPZ-WJDWOHSUSA-N 0 0 387.457 4.266 50 10 GICARN Cc1ccc(C2=C/C(=C/c3cc4c(cc3Br)OCO4)C(=O)O2)cc1 ZINC000001207392 205808687 /nfs/dbraw/zinc/80/86/87/205808687.db2.gz MQIUJGNGJJBJFP-NSIKDUERSA-N 0 0 385.213 4.468 50 10 GICARN COC(=O)CS[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000021141313 205930472 /nfs/dbraw/zinc/93/04/72/205930472.db2.gz XULMYMHBPQPFAK-ZDUSSCGKSA-N 0 0 397.443 4.173 50 10 GICARN CCN(C(C)=O)c1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)cs1 ZINC000029923642 206072612 /nfs/dbraw/zinc/07/26/12/206072612.db2.gz LTZZBUSQBYVRIQ-UHFFFAOYSA-N 0 0 399.438 4.367 50 10 GICARN CSc1ccc(Cl)c(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000239782402 206127696 /nfs/dbraw/zinc/12/76/96/206127696.db2.gz COGCFNHCKLCSDT-UHFFFAOYSA-N 0 0 386.698 4.460 50 10 GICARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=N)S1 ZINC000004725338 206214546 /nfs/dbraw/zinc/21/45/46/206214546.db2.gz OGHQPFLJCDXJFD-OXMFYWCOSA-N 0 0 385.452 4.144 50 10 GICARN COc1ccc(N2CCN(C(=O)c3ccc(-c4csc(C)n4)cc3)CC2)cc1 ZINC000064677388 136157443 /nfs/dbraw/zinc/15/74/43/136157443.db2.gz XXHZZSIWXSFPSN-UHFFFAOYSA-N 0 0 393.512 4.090 50 10 GICARN CCc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1 ZINC000065096217 136159096 /nfs/dbraw/zinc/15/90/96/136159096.db2.gz HVJHFTWGMMTZEK-UHFFFAOYSA-N 0 0 396.512 4.028 50 10 GICARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)c(O)c2)cc1 ZINC000007884041 136195352 /nfs/dbraw/zinc/19/53/52/136195352.db2.gz SNUIJDNHIFWDJL-OAQYLSRUSA-N 0 0 376.412 4.268 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000220957817 136204710 /nfs/dbraw/zinc/20/47/10/136204710.db2.gz RTKGIACLVCFCBN-HMMYKYKNSA-N 0 0 390.443 4.391 50 10 GICARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NC(C)C)c1ccccc1 ZINC000065080286 222099311 /nfs/dbraw/zinc/09/93/11/222099311.db2.gz LRBRCLKZBFCQGN-UHFFFAOYSA-N 0 0 377.444 4.147 50 10 GICARN COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3C)N=C2C)cc(OC)c1O ZINC000000678591 570216418 /nfs/dbraw/zinc/21/64/18/570216418.db2.gz WNMWIPRYBSLQOU-RIYZIHGNSA-N 0 0 386.835 4.177 50 10 GICARN CCOC(=O)c1c(NCc2cc(Br)ccc2O)sc2c1CCC2 ZINC000000708899 570219265 /nfs/dbraw/zinc/21/92/65/570219265.db2.gz XYTNHUSCEBQUEU-UHFFFAOYSA-N 0 0 396.306 4.494 50 10 GICARN CCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 ZINC000000713785 570219677 /nfs/dbraw/zinc/21/96/77/570219677.db2.gz SOMVMIRLNYFBQS-GOSISDBHSA-N 0 0 379.489 4.220 50 10 GICARN O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCN(c4ccccc4)CC3)o2)cc1 ZINC000001453182 570226517 /nfs/dbraw/zinc/22/65/17/570226517.db2.gz PXPJTYCQDNCAHK-UHFFFAOYSA-N 0 0 393.468 4.353 50 10 GICARN CC[NH+](CC)Cc1c2c(ccc1[O-])c([N+](=O)[O-])c(C)n2-c1ccc(OC)cc1 ZINC000000977912 570232912 /nfs/dbraw/zinc/23/29/12/570232912.db2.gz LDACRTGBIXQUOU-UHFFFAOYSA-N 0 0 383.448 4.403 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccccc1C ZINC000035105116 570233517 /nfs/dbraw/zinc/23/35/17/570233517.db2.gz FUJOBLJDAWSRBY-RVROMCMOSA-N 0 0 377.473 4.042 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 ZINC000001002952 570234878 /nfs/dbraw/zinc/23/48/78/570234878.db2.gz VYKWITRGFQETQR-ATVHPVEESA-N 0 0 399.493 4.278 50 10 GICARN COc1ccc(N2CCN(c3ncnc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000001110492 570242467 /nfs/dbraw/zinc/24/24/67/570242467.db2.gz OXKDTUBFZFTOLK-UHFFFAOYSA-N 0 0 394.544 4.295 50 10 GICARN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000101727709 570256079 /nfs/dbraw/zinc/25/60/79/570256079.db2.gz FQODAKKXRZVYDW-UXBLZVDNSA-N 0 0 397.259 4.096 50 10 GICARN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1 ZINC000001213513 570258630 /nfs/dbraw/zinc/25/86/30/570258630.db2.gz XQNTUIOPVTWXCP-UHFFFAOYSA-N 0 0 377.849 4.398 50 10 GICARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000001832406 570269269 /nfs/dbraw/zinc/26/92/69/570269269.db2.gz IGSANGDAAZZQED-WPCFGXOUSA-N 0 0 388.558 4.451 50 10 GICARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000002067494 570273210 /nfs/dbraw/zinc/27/32/10/570273210.db2.gz UOLABPWWTVGMJX-LFIBNONCSA-N 0 0 387.482 4.118 50 10 GICARN CC(C)C(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O ZINC000000801079 570341675 /nfs/dbraw/zinc/34/16/75/570341675.db2.gz PXJOZOMZBMKZGE-GOSISDBHSA-N 0 0 398.846 4.184 50 10 GICARN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccccc1 ZINC000027530570 570435012 /nfs/dbraw/zinc/43/50/12/570435012.db2.gz QTDBYIAXVXGJHK-FOWTUZBSSA-N 0 0 386.473 4.056 50 10 GICARN N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000005217363 570513071 /nfs/dbraw/zinc/51/30/71/570513071.db2.gz HCPMTJVRQCTNTO-MWSJVPHRSA-N 0 0 382.489 4.372 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cc(C)ccc3C)C2=N)S1 ZINC000032964069 570547227 /nfs/dbraw/zinc/54/72/27/570547227.db2.gz DOETZMPOZGZQES-XGXACIPPSA-N 0 0 377.473 4.123 50 10 GICARN Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000003384185 570606330 /nfs/dbraw/zinc/60/63/30/570606330.db2.gz PRGGHDJEEKUUPM-UHFFFAOYSA-N 0 0 397.452 4.232 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000005516338 570623842 /nfs/dbraw/zinc/62/38/42/570623842.db2.gz VUSBOQJZYUPYNP-QLDZPZBVSA-N 0 0 391.500 4.350 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000012413427 570656526 /nfs/dbraw/zinc/65/65/26/570656526.db2.gz FHONFDDCANOVNU-ZHZULCJRSA-N 0 0 377.440 4.271 50 10 GICARN Cc1cc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)no1 ZINC000000946888 570734635 /nfs/dbraw/zinc/73/46/35/570734635.db2.gz IMWNEYJBYYRRFU-GOSISDBHSA-N 0 0 376.372 4.347 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccs1 ZINC000001103079 570754559 /nfs/dbraw/zinc/75/45/59/570754559.db2.gz HWXIEJOUKLSNEL-UVTDQMKNSA-N 0 0 389.860 4.287 50 10 GICARN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1OC ZINC000013583799 570760588 /nfs/dbraw/zinc/76/05/88/570760588.db2.gz FCOKDAAXTIHJEN-YVLHZVERSA-N 0 0 387.482 4.205 50 10 GICARN COc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000096602138 570774747 /nfs/dbraw/zinc/77/47/47/570774747.db2.gz BCKQJEPNHUHCRN-HSZRJFAPSA-N 0 0 398.462 4.397 50 10 GICARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000013711651 570777932 /nfs/dbraw/zinc/77/79/32/570777932.db2.gz RYZAXTZJRKGARA-PXNMLYILSA-N 0 0 389.885 4.470 50 10 GICARN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2ccccc2)cc1 ZINC000100913844 570779892 /nfs/dbraw/zinc/77/98/92/570779892.db2.gz DBWCTMXAFPCPGF-RCCKNPSSSA-N 0 0 399.406 4.438 50 10 GICARN COc1cc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)ccc1O ZINC000001227382 570883304 /nfs/dbraw/zinc/88/33/04/570883304.db2.gz BPNZJFLVCGIXJB-OQLLNIDSSA-N 0 0 377.874 4.460 50 10 GICARN Cc1cc(C)cc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000015800266 570905071 /nfs/dbraw/zinc/90/50/71/570905071.db2.gz QDSVGWDQIQOOKS-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN N=C1/C(=C\c2ccc(Cl)cc2Cl)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000001249950 570950276 /nfs/dbraw/zinc/95/02/76/570950276.db2.gz ZZVCMOMWNNFLFK-NTIVDCSDSA-N 0 0 393.177 4.175 50 10 GICARN CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000001305645 570956959 /nfs/dbraw/zinc/95/69/59/570956959.db2.gz DIXVCDMBFHSQHQ-LDADJPATSA-N 0 0 385.510 4.495 50 10 GICARN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000001436991 571033995 /nfs/dbraw/zinc/03/39/95/571033995.db2.gz LUPRSCOFNCEJRN-UHFFFAOYSA-N 0 0 384.295 4.387 50 10 GICARN O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCN(c3ccccc3)C[C@H]12 ZINC000002435390 817389149 /nfs/dbraw/zinc/38/91/49/817389149.db2.gz YIGDWECLHXUZDQ-QHCPKHFHSA-N 0 0 394.474 4.004 50 10 aggregator GICARN Cc1cc(C(=O)OCC(=O)NC2CCCCCCC2)c(C)n1-c1ccccc1 ZINC000003321107 817435901 /nfs/dbraw/zinc/43/59/01/817435901.db2.gz FMGRGYPTCFZBBD-UHFFFAOYSA-N 0 0 382.504 4.480 50 10 GICARN COc1cc(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)cc(OC)c1O ZINC000007587335 817875340 /nfs/dbraw/zinc/87/53/40/817875340.db2.gz YBTIKHRCTKQQAY-YVLHZVERSA-N 0 0 384.457 4.109 50 10 GICARN Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cccc(C)c1C ZINC000020037198 818611303 /nfs/dbraw/zinc/61/13/03/818611303.db2.gz ICDAUIOGWOOXJP-ZJNHSXOMSA-N 0 0 376.485 4.488 50 10 GICARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000027548737 820259251 /nfs/dbraw/zinc/25/92/51/820259251.db2.gz QQFVLSSUBRZSIF-UHFFFAOYSA-N 0 0 391.810 4.376 50 10 GICARN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)SC1=S ZINC000012545778 203776027 /nfs/dbraw/zinc/77/60/27/203776027.db2.gz ZXQBFZHOTRVJJA-CXUHLZMHSA-N 0 0 387.486 4.223 50 10 GICARN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000001416718 203907758 /nfs/dbraw/zinc/90/77/58/203907758.db2.gz MKQMCTNHMBXRIU-WJDWOHSUSA-N 0 0 385.470 4.067 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000001908037 203922481 /nfs/dbraw/zinc/92/24/81/203922481.db2.gz VDRDVBLIXMTJPY-WJDWOHSUSA-N 0 0 386.454 4.399 50 10 GICARN COc1ccc(CN2C(=O)/C(=C/c3ccc4c(c3)C[C@@H](C)O4)SC2=S)cc1 ZINC000002225201 203930896 /nfs/dbraw/zinc/93/08/96/203930896.db2.gz JQKQNEODIJTSSE-LPXFMOJISA-N 0 0 397.521 4.420 50 10 GICARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCN(c2ccccc2)CC1 ZINC000002297511 203936541 /nfs/dbraw/zinc/93/65/41/203936541.db2.gz QDNGWTMIOJOMTK-OCOZRVBESA-N 0 0 395.438 4.305 50 10 GICARN O=C1N=C(N2CCc3ccccc3C2)S/C1=C\c1ccc(Br)cc1 ZINC000002391784 203941690 /nfs/dbraw/zinc/94/16/90/203941690.db2.gz FWAQYRTUUOKPIS-BOPFTXTBSA-N 0 0 399.313 4.478 50 10 GICARN Cc1cc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC000003505371 204010591 /nfs/dbraw/zinc/01/05/91/204010591.db2.gz DKTGFIOEWBYVIO-UHFFFAOYSA-N 0 0 378.384 4.042 50 10 GICARN COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)c1 ZINC000004150646 204028759 /nfs/dbraw/zinc/02/87/59/204028759.db2.gz NXEVSVAFFKBZPS-COWRMMGYSA-N 0 0 392.484 4.270 50 10 GICARN CSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=N)N12 ZINC000004761538 204073925 /nfs/dbraw/zinc/07/39/25/204073925.db2.gz NRARIZRHQNVPSK-YERBQUFUSA-N 0 0 395.513 4.034 50 10 GICARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(Cl)cc3)C(=N)N12 ZINC000004825877 204079277 /nfs/dbraw/zinc/07/92/77/204079277.db2.gz MVXYLJBKGDOPIP-NOOFILGISA-N 0 0 378.910 4.306 50 10 GICARN O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005192514 204118138 /nfs/dbraw/zinc/11/81/38/204118138.db2.gz PQWHXEAUCHREIR-UHFFFAOYSA-N 0 0 391.423 4.332 50 10 GICARN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000005791450 204151593 /nfs/dbraw/zinc/15/15/93/204151593.db2.gz WNIVKCDSSWFPFS-UNOMPAQXSA-N 0 0 396.874 4.283 50 10 GICARN O=C1OC(c2ccccc2)OC(=O)C1=Cc1cccc(OCc2ccccc2)c1 ZINC000005872855 204154512 /nfs/dbraw/zinc/15/45/12/204154512.db2.gz CKNXFLKWAMBFNV-UHFFFAOYSA-N 0 0 386.403 4.448 50 10 GICARN CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000006792135 204205693 /nfs/dbraw/zinc/20/56/93/204205693.db2.gz GMZHVZREECGRMG-GDNBJRDFSA-N 0 0 383.523 4.432 50 10 GICARN Cc1scnc1C(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O ZINC000006527600 204182176 /nfs/dbraw/zinc/18/21/76/204182176.db2.gz GCPGEMZXQFXZRO-QGZVFWFLSA-N 0 0 381.432 4.288 50 10 GICARN COc1cccc2c1O[C@@H](c1ccc(O)cc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721738 204194209 /nfs/dbraw/zinc/19/42/09/204194209.db2.gz AQBZPQHKMNOUDG-XXBNENTESA-N 0 0 388.423 4.349 50 10 GICARN COc1cccc2c1O[C@H](CCSC)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000006721711 204194662 /nfs/dbraw/zinc/19/46/62/204194662.db2.gz TUVHYQNAPBRYLD-FXAWDEMLSA-N 0 0 384.501 4.332 50 10 GICARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000007701137 204246628 /nfs/dbraw/zinc/24/66/28/204246628.db2.gz IWWXDDIHURTAMR-VBKFSLOCSA-N 0 0 386.908 4.290 50 10 GICARN O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccccc1Br ZINC000008617089 204281990 /nfs/dbraw/zinc/28/19/90/204281990.db2.gz VYNNIFMTEAJZLR-JYRVWZFOSA-N 0 0 377.288 4.250 50 10 GICARN CN1CCCc2cc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)ccc21 ZINC000008993054 204295811 /nfs/dbraw/zinc/29/58/11/204295811.db2.gz AJQKAJQJMNMIAA-WOJGMQOQSA-N 0 0 382.510 4.180 50 10 GICARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OC(C)C ZINC000008997436 204296834 /nfs/dbraw/zinc/29/68/34/204296834.db2.gz SOBQPAGCHSUXSI-NRFANRHFSA-N 0 0 390.487 4.343 50 10 GICARN COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000009188650 204301688 /nfs/dbraw/zinc/30/16/88/204301688.db2.gz AYRFGNCQXGPZPS-BOPFTXTBSA-N 0 0 383.494 4.496 50 10 GICARN COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1O ZINC000009188467 204301775 /nfs/dbraw/zinc/30/17/75/204301775.db2.gz YJPNNKLCNKGAMH-YBEGLDIGSA-N 0 0 387.482 4.124 50 10 GICARN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(OC)c1O ZINC000009188452 204302143 /nfs/dbraw/zinc/30/21/43/204302143.db2.gz JNVCVKLTOZNYOW-YBEGLDIGSA-N 0 0 387.482 4.124 50 10 GICARN COc1ccc(-n2c(C)cc(CNC(=O)NCc3ccc(C)cc3)c2C)cc1 ZINC000009228669 204303605 /nfs/dbraw/zinc/30/36/05/204303605.db2.gz XFJVGTQKRCTMMW-UHFFFAOYSA-N 0 0 377.488 4.411 50 10 GICARN COc1cccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)c1 ZINC000009228862 204303857 /nfs/dbraw/zinc/30/38/57/204303857.db2.gz OULHOWZDEAZJCN-UHFFFAOYSA-N 0 0 379.460 4.433 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)cc1 ZINC000013722717 204508835 /nfs/dbraw/zinc/50/88/35/204508835.db2.gz SQRPXCQCGHHJES-LICLKQGHSA-N 0 0 379.466 4.044 50 10 GICARN Cc1cc(C(=O)Cn2c(=O)c(C)nc3ccccc32)c(C)n1-c1cccc(F)c1 ZINC000032888203 204925355 /nfs/dbraw/zinc/92/53/55/204925355.db2.gz HFXOVHBBPKVJKJ-UHFFFAOYSA-N 0 0 389.430 4.134 50 10 GICARN COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)c2c1 ZINC000036559513 205017845 /nfs/dbraw/zinc/01/78/45/205017845.db2.gz XECKXYUOMIDELU-REZTVBANSA-N 0 0 382.466 4.288 50 10 GICARN COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1 ZINC000049593151 205128743 /nfs/dbraw/zinc/12/87/43/205128743.db2.gz WPEDMKPDUDWRFP-QLDZPZBVSA-N 0 0 392.484 4.270 50 10 GICARN Cc1nn(C)c(C)c1[C@@H]1CC(c2ccccc2O)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000071785172 205296872 /nfs/dbraw/zinc/29/68/72/205296872.db2.gz DHOBJPDWPGIFJO-IBGZPJMESA-N 0 0 391.431 4.006 50 10 GICARN O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000072119236 205305527 /nfs/dbraw/zinc/30/55/27/205305527.db2.gz RFSJKIZAARXWBD-UHFFFAOYSA-N 0 0 378.516 4.042 50 10 GICARN CC(NCCc1ccccc1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000005445841 205769790 /nfs/dbraw/zinc/76/97/90/205769790.db2.gz LNLCFDTZSKYRSV-XMHGGMMESA-N 0 0 376.485 4.125 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=N)S1 ZINC000006349595 205819179 /nfs/dbraw/zinc/81/91/79/205819179.db2.gz OXJOGPDVJHEHMX-WXUZMHMZSA-N 0 0 395.463 4.262 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1cccc(OC)c1 ZINC000013601129 205890034 /nfs/dbraw/zinc/89/00/34/205890034.db2.gz XFQRBYZAOBRTBU-XSFVSMFZSA-N 0 0 377.440 4.271 50 10 GICARN CCN(Cc1ccccc1)c1ccc(CNc2nc(CCOC)ns2)cc1 ZINC000225515797 206052585 /nfs/dbraw/zinc/05/25/85/206052585.db2.gz DDCYMPSNIYSGFF-UHFFFAOYSA-N 0 0 382.533 4.366 50 10 GICARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=N)S1 ZINC000033332223 206098910 /nfs/dbraw/zinc/09/89/10/206098910.db2.gz FVQGMGHZZVSIFM-ICZFKYGZSA-N 0 0 382.420 4.361 50 10 GICARN COc1cc(OC)c(N=Nc2[nH]cnc2C(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000006160872 206218778 /nfs/dbraw/zinc/21/87/78/206218778.db2.gz SHZVQEDREACAKA-OCOZRVBESA-N 0 0 395.419 4.412 50 10 GICARN CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215880 221098063 /nfs/dbraw/zinc/09/80/63/221098063.db2.gz BBPGRYHTHQBEIY-AUSIDOKSSA-N 0 0 387.439 4.428 50 10 GICARN Cc1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)C(=O)[N-]C2=S)c1 ZINC000002287163 136193431 /nfs/dbraw/zinc/19/34/31/136193431.db2.gz DCNDUDLPIAGVEY-UKTHLTGXSA-N 0 0 391.279 4.133 50 10 GICARN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000005426749 136194834 /nfs/dbraw/zinc/19/48/34/136194834.db2.gz KJYQNIKVISLHAL-DEDYPNTBSA-N 0 0 395.890 4.291 50 10 GICARN Cc1ccc(C2=N/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000006596586 136195141 /nfs/dbraw/zinc/19/51/41/136195141.db2.gz YBPGKMGYVPEDFP-AQTBWJFISA-N 0 0 391.427 4.238 50 10 GICARN COC(=O)c1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000005018403 533959314 /nfs/dbraw/zinc/95/93/14/533959314.db2.gz RXQUWKGSMVLNPZ-GDNBJRDFSA-N 0 0 385.213 4.217 50 10 GICARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1OCc1cccnc1 ZINC000044025601 570229625 /nfs/dbraw/zinc/22/96/25/570229625.db2.gz IBCJROXWKSRFNO-UYRXBGFRSA-N 0 0 379.485 4.117 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1OC ZINC000000975029 570232600 /nfs/dbraw/zinc/23/26/00/570232600.db2.gz UOGYHNZZJKFFMJ-QGOAFFKASA-N 0 0 385.510 4.148 50 10 GICARN CCN(CC)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1 ZINC000004817421 570235929 /nfs/dbraw/zinc/23/59/29/570235929.db2.gz HDYZCQXKVIPLLB-MIFWMJNYSA-N 0 0 389.543 4.478 50 10 GICARN CN(C)c1ccc(/C=C/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000004817307 570236042 /nfs/dbraw/zinc/23/60/42/570236042.db2.gz SVBAOQYJKKLVCS-FYQZGWMPSA-N 0 0 387.527 4.336 50 10 GICARN O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000048369199 570248541 /nfs/dbraw/zinc/24/85/41/570248541.db2.gz GQBJQBBXHMNWOB-UHFFFAOYSA-N 0 0 394.462 4.118 50 10 GICARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)NC2CCCCCC2)cc1 ZINC000020215700 570248640 /nfs/dbraw/zinc/24/86/40/570248640.db2.gz ICCJWZOLRXVEAA-NRFANRHFSA-N 0 0 389.609 4.331 50 10 GICARN COC(=O)c1ccc(COc2ccc3c4ccc(OC)cc4c(=O)oc3c2C)o1 ZINC000001184550 570256132 /nfs/dbraw/zinc/25/61/32/570256132.db2.gz PMUBOZZUHDLOOR-UHFFFAOYSA-N 0 0 394.379 4.222 50 10 GICARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 ZINC000001189297 570256948 /nfs/dbraw/zinc/25/69/48/570256948.db2.gz XRAJTVPUBDCKED-REWPJTCUSA-N 0 0 377.488 4.021 50 10 GICARN COc1ccc(O)c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1 ZINC000001188410 570256974 /nfs/dbraw/zinc/25/69/74/570256974.db2.gz FMDCXMZCTCKJNA-OVCLIPMQSA-N 0 0 377.874 4.460 50 10 GICARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)cc1 ZINC000001217461 570258893 /nfs/dbraw/zinc/25/88/93/570258893.db2.gz DYZPVAKLKCOZQS-GXDHUFHOSA-N 0 0 392.502 4.117 50 10 GICARN O=C(Oc1ccc(/C=C2/SC(=S)NC2=O)cc1)c1ccccc1Cl ZINC000001517784 570267585 /nfs/dbraw/zinc/26/75/85/570267585.db2.gz BZBSISQTOSFJIC-NTEUORMPSA-N 0 0 375.858 4.048 50 10 GICARN O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cl)cc1 ZINC000002397060 570286015 /nfs/dbraw/zinc/28/60/15/570286015.db2.gz UQAWSZFSAIJGNO-NVNXTCNLSA-N 0 0 375.858 4.475 50 10 GICARN COc1ccc(N(CC(=O)N(C)Cc2ccsc2)Cc2ccccc2)cc1 ZINC000022376038 570314729 /nfs/dbraw/zinc/31/47/29/570314729.db2.gz XXXQTRWTCIOPAO-UHFFFAOYSA-N 0 0 380.513 4.422 50 10 GICARN Cc1ccccc1OCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000002964331 570320422 /nfs/dbraw/zinc/32/04/22/570320422.db2.gz KMJVPAJTQUXWQB-QGOAFFKASA-N 0 0 385.510 4.284 50 10 GICARN CC(C)C(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O ZINC000000801078 570341779 /nfs/dbraw/zinc/34/17/79/570341779.db2.gz PXJOZOMZBMKZGE-SFHVURJKSA-N 0 0 398.846 4.184 50 10 GICARN COc1ccc(N2CCN(CC(=O)c3c(C)[nH]c4cc(C)ccc43)C[C@H]2C)cc1 ZINC000035369259 570344370 /nfs/dbraw/zinc/34/43/70/570344370.db2.gz BFQWOLHEPDGCJY-QGZVFWFLSA-N 0 0 391.515 4.187 50 10 GICARN COc1cccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1 ZINC000027530335 570435217 /nfs/dbraw/zinc/43/52/17/570435217.db2.gz NMHWYXQIKLHGIM-GZTJUZNOSA-N 0 0 384.482 4.059 50 10 GICARN CN(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccn2)cc1 ZINC000028288249 570454705 /nfs/dbraw/zinc/45/47/05/570454705.db2.gz RCEGZGRHUWDPBY-UHFFFAOYSA-N 0 0 399.450 4.101 50 10 GICARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000016694398 570495122 /nfs/dbraw/zinc/49/51/22/570495122.db2.gz MSLRSMRYJMULNV-PDGQHHTCSA-N 0 0 384.277 4.321 50 10 GICARN CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000033337821 570525490 /nfs/dbraw/zinc/52/54/90/570525490.db2.gz KSAGQGFCAIBLBV-AQTBWJFISA-N 0 0 383.542 4.224 50 10 GICARN C[C@@H]1CC(=O)N[C@@]2(/C=C\c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C ZINC000169620202 570560494 /nfs/dbraw/zinc/56/04/94/570560494.db2.gz QDLUIPKHEOLEDQ-IEZVKARESA-N 0 0 375.516 4.168 50 10 GICARN O=C(c1ccc(F)cc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S ZINC000003099020 570680471 /nfs/dbraw/zinc/68/04/71/570680471.db2.gz FTWAGDIHRVXDHA-CXUHLZMHSA-N 0 0 382.441 4.349 50 10 GICARN COc1ccc(-c2c(C)c3ccc([O-])c(C[NH+]4CCCC4)c3oc2=O)cc1OC ZINC000004353880 570691035 /nfs/dbraw/zinc/69/10/35/570691035.db2.gz RAKHBBUGGJUOBF-UHFFFAOYSA-N 0 0 395.455 4.087 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000013769685 570788119 /nfs/dbraw/zinc/78/81/19/570788119.db2.gz NZXKAVOIBFIONA-PDGQHHTCSA-N 0 0 385.510 4.148 50 10 GICARN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc(C)c(C)c1 ZINC000005971020 570810625 /nfs/dbraw/zinc/81/06/25/570810625.db2.gz JFQOEBRLBPYGHY-UHFFFAOYSA-N 0 0 379.416 4.276 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1F ZINC000014010049 570814299 /nfs/dbraw/zinc/81/42/99/570814299.db2.gz MKKCOQCFBPDIKB-AQTBWJFISA-N 0 0 381.403 4.102 50 10 GICARN O=C1NC(=Cc2ccc(N3CCCC3)cc2F)C(=O)N1c1cccc(Cl)c1 ZINC000014009806 570814417 /nfs/dbraw/zinc/81/44/17/570814417.db2.gz RTVHSYOXYQNVCF-VCHYOVAHSA-N 0 0 385.826 4.177 50 10 GICARN COc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2)c1=O ZINC000101129603 570815791 /nfs/dbraw/zinc/81/57/91/570815791.db2.gz UHRRVFPLEHMKQE-RVDMUPIBSA-N 0 0 386.249 4.176 50 10 GICARN CCc1ccccc1NC1=NC(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)S1 ZINC000035043425 570816490 /nfs/dbraw/zinc/81/64/90/570816490.db2.gz TVJTVFZDVHLQDR-LDADJPATSA-N 0 0 398.484 4.357 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)c(F)c3)n2C)cc1 ZINC000007423678 570841343 /nfs/dbraw/zinc/84/13/43/570841343.db2.gz UTOUJJQIVVVJBC-UHFFFAOYSA-N 0 0 389.427 4.105 50 10 GICARN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1c(C)cccc1C ZINC000015012521 570871940 /nfs/dbraw/zinc/87/19/40/570871940.db2.gz MYUIREDTJAXECD-FYJGNVAPSA-N 0 0 399.519 4.481 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2OC(F)F)SC1=S ZINC000003375945 570958147 /nfs/dbraw/zinc/95/81/47/570958147.db2.gz VOBSKUVRGSNRKH-YHYXMXQVSA-N 0 0 381.372 4.111 50 10 GICARN Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)c1C ZINC000004745478 570960353 /nfs/dbraw/zinc/96/03/53/570960353.db2.gz XOROYRMSRGBAHU-LFIBNONCSA-N 0 0 386.498 4.126 50 10 GICARN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CCCCC1 ZINC000002355222 817385284 /nfs/dbraw/zinc/38/52/84/817385284.db2.gz GVIGRHICOQRZSX-QINSGFPZSA-N 0 0 394.587 4.178 50 10 GICARN Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000002629306 817394030 /nfs/dbraw/zinc/39/40/30/817394030.db2.gz WNRALGMZHRROSS-INIZCTEOSA-N 0 0 388.467 4.229 50 10 GICARN CN(C)c1ccc(/C=C2/N=C(c3ccc(C(=O)c4ccccc4)cc3)OC2=O)cc1 ZINC000003181128 817420442 /nfs/dbraw/zinc/42/04/42/817420442.db2.gz YVVVXHAYBAOLKU-CJLVFECKSA-N 0 0 396.446 4.328 50 10 GICARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000004130131 817505876 /nfs/dbraw/zinc/50/58/76/817505876.db2.gz HEZMCOBNXJWBOA-UHFFFAOYSA-N 0 0 382.445 4.035 50 10 GICARN COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013402418 818211581 /nfs/dbraw/zinc/21/15/81/818211581.db2.gz WTGRLGCHWTUYKT-MDZRGWNJSA-N 0 0 380.400 4.217 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(NC(=O)/C=C\c3ccco3)cc2)SC1=S ZINC000034702016 821061868 /nfs/dbraw/zinc/06/18/68/821061868.db2.gz ZNJPYQOESWJLOE-NTFJEWRLSA-N 0 0 384.482 4.153 50 10 GICARN COc1ccc(Cn2cnc(-c3ccc(/N=N/N(C)C)cc3)c2)cc1[N+](=O)[O-] ZINC000000721654 203850679 /nfs/dbraw/zinc/85/06/79/203850679.db2.gz SOMRNLAUFHYNFT-QURGRASLSA-N 0 0 380.408 4.076 50 10 GICARN O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(Cl)c1 ZINC000001311435 203901366 /nfs/dbraw/zinc/90/13/66/203901366.db2.gz SBAHRUKIOIPGMV-JYRVWZFOSA-N 0 0 394.930 4.241 50 10 GICARN O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000001248248 203898833 /nfs/dbraw/zinc/89/88/33/203898833.db2.gz LMJRPSSFKJCKER-NTEUORMPSA-N 0 0 392.864 4.025 50 10 GICARN Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1C ZINC000001236408 203899105 /nfs/dbraw/zinc/89/91/05/203899105.db2.gz QJTRXEYOFIYJDQ-BOPFTXTBSA-N 0 0 382.510 4.143 50 10 GICARN O=C1[C@@H](Cc2ccc(Br)cc2)SC(=S)N1c1ccccc1 ZINC000003346346 204000763 /nfs/dbraw/zinc/00/07/63/204000763.db2.gz CLERKMUOMSJPOV-CQSZACIVSA-N 0 0 378.316 4.425 50 10 GICARN Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003372985 204003143 /nfs/dbraw/zinc/00/31/43/204003143.db2.gz ILKHGRIDFBOTDY-BZNIZROVSA-N 0 0 377.387 4.077 50 10 GICARN COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000004070704 204026350 /nfs/dbraw/zinc/02/63/50/204026350.db2.gz HONBNSTVAINMNJ-KAMYIIQDSA-N 0 0 383.922 4.275 50 10 GICARN O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccccc1Br ZINC000004745951 204073570 /nfs/dbraw/zinc/07/35/70/204073570.db2.gz OCQQZASBNWHMGY-UKTHLTGXSA-N 0 0 377.288 4.250 50 10 GICARN Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000004808431 204076921 /nfs/dbraw/zinc/07/69/21/204076921.db2.gz MHLWBQQNEOUPDK-RVDMUPIBSA-N 0 0 388.539 4.287 50 10 GICARN CC1=CC2=NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C(=N)N2O1 ZINC000004921787 204092197 /nfs/dbraw/zinc/09/21/97/204092197.db2.gz ZOLZULUTFCEQOL-PNVGRYOSSA-N 0 0 382.423 4.140 50 10 GICARN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000004590949 204055535 /nfs/dbraw/zinc/05/55/35/204055535.db2.gz GQDIFUFXGLKIFO-YVLHZVERSA-N 0 0 386.860 4.025 50 10 GICARN O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@]12NN=C(c1ccccc1)S2 ZINC000004689926 204064398 /nfs/dbraw/zinc/06/43/98/204064398.db2.gz KXBALNFAYVHLCK-JOCHJYFZSA-N 0 0 389.455 4.224 50 10 GICARN CCN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S ZINC000005312020 204124050 /nfs/dbraw/zinc/12/40/50/204124050.db2.gz BFCUCAXKVNZMRB-JYOAFUTRSA-N 0 0 386.281 4.321 50 10 GICARN COc1cc(Cl)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000005044473 204106009 /nfs/dbraw/zinc/10/60/09/204106009.db2.gz BZIIWXBKYQKZLL-NVNXTCNLSA-N 0 0 391.901 4.456 50 10 GICARN Nc1c(N2CCCC2)cc(NCc2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000005451772 204133133 /nfs/dbraw/zinc/13/31/33/204133133.db2.gz XDJVXZQNOPVHPW-UHFFFAOYSA-N 0 0 397.478 4.257 50 10 GICARN CCCCN(CCCC)S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000005555425 204140008 /nfs/dbraw/zinc/14/00/08/204140008.db2.gz NFEGUJJUFBTLGI-UHFFFAOYSA-N 0 0 399.512 4.053 50 10 GICARN Cc1cccc(Nc2nnc(SCC(=O)c3ccc(O)c(O)c3)s2)c1C ZINC000006650349 204187565 /nfs/dbraw/zinc/18/75/65/204187565.db2.gz YWSJZBOZPGUSEM-UHFFFAOYSA-N 0 0 387.486 4.285 50 10 GICARN CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(OC)c2)SC1=S ZINC000006951078 204227227 /nfs/dbraw/zinc/22/72/27/204227227.db2.gz JUQBIIQLLBRCKK-PDGQHHTCSA-N 0 0 385.510 4.495 50 10 GICARN Cc1cc(C(=O)COC(=O)[C@@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000007180844 204234743 /nfs/dbraw/zinc/23/47/43/204234743.db2.gz LIXWQKCPHAZTDF-SFHVURJKSA-N 0 0 395.377 4.018 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 ZINC000007423515 204240722 /nfs/dbraw/zinc/24/07/22/204240722.db2.gz KMNUOUKMCYXJCM-UHFFFAOYSA-N 0 0 381.501 4.443 50 10 GICARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000007423362 204240873 /nfs/dbraw/zinc/24/08/73/204240873.db2.gz SPPGCGTWAIRUOT-UHFFFAOYSA-N 0 0 383.904 4.422 50 10 GICARN CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000007884775 204253864 /nfs/dbraw/zinc/25/38/64/204253864.db2.gz NQFHIIULHKFWQW-QFIPXVFZSA-N 0 0 391.446 4.025 50 10 GICARN COCCCN1C(=O)C(=CNc2ccc(Cl)cc2Cl)SC1=S ZINC000013569767 204495833 /nfs/dbraw/zinc/49/58/33/204495833.db2.gz DSPXDVQBJKCTGQ-XYOKQWHBSA-N 0 0 377.318 4.144 50 10 GICARN COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1 ZINC000019855468 204689894 /nfs/dbraw/zinc/68/98/94/204689894.db2.gz NVBDIALWBOQGQF-UHFFFAOYSA-N 0 0 398.466 4.317 50 10 GICARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000035618624 204995132 /nfs/dbraw/zinc/99/51/32/204995132.db2.gz MOPANHYPMJRJEN-DHDCSXOGSA-N 0 0 393.399 4.156 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000041108122 205076631 /nfs/dbraw/zinc/07/66/31/205076631.db2.gz VUSBOQJZYUPYNP-KUOUREISSA-N 0 0 391.500 4.350 50 10 GICARN CN(Cc1ccccc1O)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000053914710 205137609 /nfs/dbraw/zinc/13/76/09/205137609.db2.gz MOSSIFGTBKCOGJ-UHFFFAOYSA-N 0 0 381.453 4.164 50 10 GICARN CC(=O)c1c(C)[nH]c(C(=O)CN2CCCc3cc(OC(F)F)ccc32)c1C ZINC000055026081 205141086 /nfs/dbraw/zinc/14/10/86/205141086.db2.gz UPICAVWFIKVOQG-UHFFFAOYSA-N 0 0 376.403 4.071 50 10 GICARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccccc1C ZINC000057996944 205163164 /nfs/dbraw/zinc/16/31/64/205163164.db2.gz MYPRHAHOAKIQFE-UHFFFAOYSA-N 0 0 390.270 4.149 50 10 GICARN Cc1cc(C(=O)CN2CCc3sccc3C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000058160899 205165208 /nfs/dbraw/zinc/16/52/08/205165208.db2.gz HZDAFUKBCNUQRQ-UHFFFAOYSA-N 0 0 394.496 4.125 50 10 GICARN CN(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 ZINC000058425924 205175137 /nfs/dbraw/zinc/17/51/37/205175137.db2.gz UMWYQXCARLXMSE-AWNIVKPZSA-N 0 0 383.455 4.114 50 10 GICARN O=C1N=C(NC2CCCCC2)SC1=Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000064925652 205201101 /nfs/dbraw/zinc/20/11/01/205201101.db2.gz HTMJIZUTNIUYBT-ZROIWOOFSA-N 0 0 397.403 4.089 50 10 GICARN Cc1cc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c(C)n1-c1ccccn1 ZINC000065418758 205235350 /nfs/dbraw/zinc/23/53/50/205235350.db2.gz VICKRIDOGLNMRR-IBGZPJMESA-N 0 0 379.435 4.272 50 10 GICARN Cn1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 ZINC000013787184 205890342 /nfs/dbraw/zinc/89/03/42/205890342.db2.gz APEGBEXNVUBAJY-LSCVHKIXSA-N 0 0 394.477 4.313 50 10 GICARN CCOC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000013913942 205892282 /nfs/dbraw/zinc/89/22/82/205892282.db2.gz PYOSJEHUHMREOP-LDADJPATSA-N 0 0 398.846 4.088 50 10 GICARN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(F)cc1 ZINC000013810500 205892610 /nfs/dbraw/zinc/89/26/10/205892610.db2.gz RMCODNJLLMSWPI-UDWIEESQSA-N 0 0 389.455 4.004 50 10 GICARN Cc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000033348435 206098855 /nfs/dbraw/zinc/09/88/55/206098855.db2.gz GOSRRBYYHQBNJW-STZFKDTASA-N 0 0 393.462 4.217 50 10 GICARN CSc1ccc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1 ZINC000033334470 206098939 /nfs/dbraw/zinc/09/89/39/206098939.db2.gz MBVCJRCTBQNYIJ-RBCZPYDQSA-N 0 0 398.538 4.332 50 10 GICARN COc1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000007496977 221000135 /nfs/dbraw/zinc/00/01/35/221000135.db2.gz BFEQSVCCFGRFNY-UHFFFAOYSA-N 0 0 381.259 4.091 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000100363312 136189152 /nfs/dbraw/zinc/18/91/52/136189152.db2.gz WISYTIMGRJFFAQ-XMHGGMMESA-N 0 0 390.443 4.391 50 10 GICARN COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000000638967 570213269 /nfs/dbraw/zinc/21/32/69/570213269.db2.gz MQURDZXAUBAZGN-KGENOOAVSA-N 0 0 387.439 4.200 50 10 GICARN CN(C)c1ccc(CNc2ncc(Br)cc2Br)cc1 ZINC000019899405 570228950 /nfs/dbraw/zinc/22/89/50/570228950.db2.gz SZOZFUVAGXKUBG-UHFFFAOYSA-N 0 0 385.103 4.285 50 10 GICARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000000975335 570232604 /nfs/dbraw/zinc/23/26/04/570232604.db2.gz KITMBFVXUBXQIS-SXGWCWSVSA-N 0 0 391.901 4.416 50 10 GICARN COc1ccc(OC)c(C(=O)c2coc3ccc([O-])c(C[NH+]4CCCCC4)c23)c1 ZINC000001061860 570239429 /nfs/dbraw/zinc/23/94/29/570239429.db2.gz DIGFTJQVGUPEGD-UHFFFAOYSA-N 0 0 395.455 4.373 50 10 GICARN O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1Cc1ccco1 ZINC000001149750 570248793 /nfs/dbraw/zinc/24/87/93/570248793.db2.gz GOUVAUFKIPCJFR-QPEQYQDCSA-N 0 0 396.287 4.149 50 10 GICARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)coc21 ZINC000020357682 570253127 /nfs/dbraw/zinc/25/31/27/570253127.db2.gz KKHVLRNNVOFIQV-UHFFFAOYSA-N 0 0 390.233 4.115 50 10 GICARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1ccc(N(C)C)cc1 ZINC000001189299 570256958 /nfs/dbraw/zinc/25/69/58/570256958.db2.gz XRAJTVPUBDCKED-NZQKXSOJSA-N 0 0 377.488 4.021 50 10 GICARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)OC1CCCCC1 ZINC000001750280 570267908 /nfs/dbraw/zinc/26/79/08/570267908.db2.gz LBNCZOSUYNPDQG-SSZFMOIBSA-N 0 0 375.515 4.154 50 10 GICARN Cc1cc(C(=O)Nc2cccc(C[S@](C)=O)c2)c(C)n1-c1cccc(F)c1 ZINC000115482667 570275647 /nfs/dbraw/zinc/27/56/47/570275647.db2.gz RULQWGZMKKQEOD-HHHXNRCGSA-N 0 0 384.476 4.364 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000005161737 570275658 /nfs/dbraw/zinc/27/56/58/570275658.db2.gz VWCVHCGDJOZJNW-WCCNDZKRSA-N 0 0 397.891 4.387 50 10 GICARN COC(=O)c1ccc(COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)o1 ZINC000000631222 570278609 /nfs/dbraw/zinc/27/86/09/570278609.db2.gz VGJSDDMLPHVXGD-UHFFFAOYSA-N 0 0 376.364 4.419 50 10 GICARN Cc1ccc(N2NC(=O)/C(=C\c3ccc(N(C)CCC(C)C)cc3)C2=O)cc1C ZINC000000666609 570287814 /nfs/dbraw/zinc/28/78/14/570287814.db2.gz GLHLDPSTPBUJLY-PXLXIMEGSA-N 0 0 391.515 4.247 50 10 GICARN Cc1cc(C(=O)CO[C@H](C)Cc2ncc[nH]2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000089578084 570494498 /nfs/dbraw/zinc/49/44/98/570494498.db2.gz ZOJWMCRVSLKTGJ-CYBMUJFWSA-N 0 0 389.858 4.440 50 10 GICARN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000016694404 570495116 /nfs/dbraw/zinc/49/51/16/570495116.db2.gz BHILMDSNFUHMEI-WQRHYEAKSA-N 0 0 384.277 4.321 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3c(C)cccc3C)C2=N)S1 ZINC000032964072 570547205 /nfs/dbraw/zinc/54/72/05/570547205.db2.gz JVCPNHWJMDJPKX-XGXACIPPSA-N 0 0 377.473 4.123 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000005516496 570623811 /nfs/dbraw/zinc/62/38/11/570623811.db2.gz WSOVMIDDFIJMTF-BGQXKEBWSA-N 0 0 397.891 4.387 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000034379517 570651060 /nfs/dbraw/zinc/65/10/60/570651060.db2.gz SCFVCBOZLMQCPY-LVKBRKGQSA-N 0 0 377.473 4.042 50 10 GICARN COc1ccc(N2CCN(Cc3csc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000055069781 570681441 /nfs/dbraw/zinc/68/14/41/570681441.db2.gz OEMYVZZSAXLBMH-UHFFFAOYSA-N 0 0 379.529 4.449 50 10 GICARN COc1ccc(N2CCN(Cc3csc(-c4ccccc4C)n3)CC2)cc1 ZINC000055070128 570681505 /nfs/dbraw/zinc/68/15/05/570681505.db2.gz FDCJFPLNRCBYMT-UHFFFAOYSA-N 0 0 379.529 4.449 50 10 GICARN CCc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 ZINC000001146520 570712343 /nfs/dbraw/zinc/71/23/43/570712343.db2.gz MSWSLFOOTAZZBD-STZFKDTASA-N 0 0 391.467 4.130 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 ZINC000001013897 570746839 /nfs/dbraw/zinc/74/68/39/570746839.db2.gz XOPARXSWOVWANR-DHDCSXOGSA-N 0 0 377.874 4.460 50 10 GICARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000001121834 570755791 /nfs/dbraw/zinc/75/57/91/570755791.db2.gz VURCMCZNDPNBFA-RGEXLXHISA-N 0 0 396.443 4.158 50 10 GICARN COc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1OC ZINC000013689715 570775067 /nfs/dbraw/zinc/77/50/67/570775067.db2.gz XNRYPVXRBVFMSC-DHDCSXOGSA-N 0 0 375.446 4.249 50 10 GICARN COc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 ZINC000013897731 570799988 /nfs/dbraw/zinc/79/99/88/570799988.db2.gz WURBEJRCVYWBPQ-OIQQPNLJSA-N 0 0 396.859 4.016 50 10 GICARN Cc1ccc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1C ZINC000013940729 570806989 /nfs/dbraw/zinc/80/69/89/570806989.db2.gz MDDARPUAORJHCN-LDADJPATSA-N 0 0 385.510 4.250 50 10 GICARN COc1ccc(C2(CC(=O)Nc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000018173568 570807465 /nfs/dbraw/zinc/80/74/65/570807465.db2.gz BBPLDQOODGHYRE-UHFFFAOYSA-N 0 0 399.446 4.349 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)SC2=S)cc1 ZINC000005959342 570809254 /nfs/dbraw/zinc/80/92/54/570809254.db2.gz VYKWITRGFQETQR-SFQUDFHCSA-N 0 0 399.493 4.278 50 10 GICARN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000014009361 570814559 /nfs/dbraw/zinc/81/45/59/570814559.db2.gz QSGRMXCLEJZLES-WQRHYEAKSA-N 0 0 384.863 4.050 50 10 GICARN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3c(C)cccc3C)sc2n1 ZINC000012551506 570855002 /nfs/dbraw/zinc/85/50/02/570855002.db2.gz CKLFOUNTUUOMNC-CQSZACIVSA-N 0 0 397.500 4.296 50 10 GICARN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1C ZINC000015008447 570871332 /nfs/dbraw/zinc/87/13/32/570871332.db2.gz ILXOEDWICMUGHQ-LDADJPATSA-N 0 0 384.526 4.475 50 10 GICARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(Cl)c1 ZINC000015055764 570874180 /nfs/dbraw/zinc/87/41/80/570874180.db2.gz HJJFFYXHZQVDLF-SXGWCWSVSA-N 0 0 391.901 4.416 50 10 GICARN COc1ccc(N(CC(=O)N2CCc3sccc3C2)Cc2ccccc2)cc1 ZINC000032892797 570889740 /nfs/dbraw/zinc/88/97/40/570889740.db2.gz SOVUFRZGFUKKOE-UHFFFAOYSA-N 0 0 392.524 4.348 50 10 GICARN Cc1ccc(C2=NC(=O)/C(=C\c3cc(Br)c(O)cc3O)S2)cc1 ZINC000211040638 570905854 /nfs/dbraw/zinc/90/58/54/570905854.db2.gz REQMBFPJTMKXQB-VIZOYTHASA-N 0 0 390.258 4.230 50 10 GICARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004079275 570930725 /nfs/dbraw/zinc/93/07/25/570930725.db2.gz UPMBUWKPBBGJHE-JLHYYAGUSA-N 0 0 398.374 4.022 50 10 GICARN Cc1cccc(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c1 ZINC000016745596 570932602 /nfs/dbraw/zinc/93/26/02/570932602.db2.gz NKKQRGDDOHOBAI-PDDUZAPNSA-N 0 0 394.521 4.391 50 10 GICARN Cc1cccc(OCCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)c1 ZINC000017185968 570942683 /nfs/dbraw/zinc/94/26/83/570942683.db2.gz YEPYQHUOVBYCQO-XMHGGMMESA-N 0 0 382.485 4.176 50 10 GICARN COc1cc(OC)c(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1Cl ZINC000002121021 570955944 /nfs/dbraw/zinc/95/59/44/570955944.db2.gz CHRCGDUTBQPUBJ-UHFFFAOYSA-N 0 0 387.819 4.129 50 10 GICARN COc1ccc([C@H](NC(=O)C(C)C)c2c(O)ccc3ccccc32)cc1OC ZINC000000855803 817374000 /nfs/dbraw/zinc/37/40/00/817374000.db2.gz JWVIJOBQVJZQBC-QFIPXVFZSA-N 0 0 379.456 4.424 50 10 GICARN Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000002283132 817382474 /nfs/dbraw/zinc/38/24/74/817382474.db2.gz MHLWBQQNEOUPDK-PTNGSMBKSA-N 0 0 388.539 4.287 50 10 GICARN CCCCC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O ZINC000002921376 817406085 /nfs/dbraw/zinc/40/60/85/817406085.db2.gz YUDOINUASGGSLQ-LJQANCHMSA-N 0 0 379.416 4.244 50 10 GICARN Cc1nn(-c2ccccc2)c2c1CN[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000020865086 818634715 /nfs/dbraw/zinc/63/47/15/818634715.db2.gz HHGMPMMOYFQYHR-QHCPKHFHSA-N 0 0 383.499 4.230 50 10 GICARN Cc1ccc(-c2nc(/C=C3/SC(=S)N(C)C3=O)n(-c3ccccc3)n2)cc1 ZINC000027562127 820259936 /nfs/dbraw/zinc/25/99/36/820259936.db2.gz BHCQHGGQRMGPRQ-FOWTUZBSSA-N 0 0 392.509 4.074 50 10 GICARN O=C(N=NC=C1C=CC(S(=O)(=O)c2ccc(Cl)cc2)=CC1)c1ccncc1 ZINC000334159374 203796918 /nfs/dbraw/zinc/79/69/18/203796918.db2.gz LFWGXDSLRPJOIU-UHFFFAOYSA-N 0 0 399.859 4.326 50 10 GICARN COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1OC(F)F ZINC000096663410 203833977 /nfs/dbraw/zinc/83/39/77/203833977.db2.gz ZEDLCCQBBVFONJ-XNTDXEJSSA-N 0 0 376.384 4.379 50 10 GICARN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1ccc(F)cc1 ZINC000001191239 203895454 /nfs/dbraw/zinc/89/54/54/203895454.db2.gz ZSMAFQYOPXXZTM-XDHOZWIPSA-N 0 0 386.382 4.389 50 10 GICARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000002304281 203936819 /nfs/dbraw/zinc/93/68/19/203936819.db2.gz HYHUGMCJQHFSGA-LGMDPLHJSA-N 0 0 382.510 4.225 50 10 GICARN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1OC ZINC000002648511 203954674 /nfs/dbraw/zinc/95/46/74/203954674.db2.gz BQMMGQRGIKNFLP-PDGQHHTCSA-N 0 0 395.480 4.294 50 10 GICARN O=C(NCCc1ccc(O)c(O)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000003361296 204001498 /nfs/dbraw/zinc/00/14/98/204001498.db2.gz PLJVVCVVLJRJAE-NRFANRHFSA-N 0 0 379.481 4.290 50 10 GICARN CCCN(CCC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1 ZINC000004063520 204025658 /nfs/dbraw/zinc/02/56/58/204025658.db2.gz ASULKLMNSDTZOI-PGMHBOJBSA-N 0 0 377.488 4.083 50 10 GICARN Oc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1O ZINC000004598318 204057221 /nfs/dbraw/zinc/05/72/21/204057221.db2.gz KCDUBYRLOMJRPL-UHFFFAOYSA-N 0 0 393.255 4.021 50 10 GICARN CC1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=N)S1 ZINC000004615042 204057821 /nfs/dbraw/zinc/05/78/21/204057821.db2.gz VKJFZQYIFLHOPH-WZBMNHFVSA-N 0 0 394.431 4.044 50 10 GICARN O=C(c1cccnc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O ZINC000004614079 204058311 /nfs/dbraw/zinc/05/83/11/204058311.db2.gz YLWVSTCJWSLRLA-IBGZPJMESA-N 0 0 377.831 4.432 50 10 GICARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(C(=O)OC)=C1C ZINC000004688428 204064584 /nfs/dbraw/zinc/06/45/84/204064584.db2.gz DJXUXSFOOIZLSW-UNOMPAQXSA-N 0 0 398.890 4.440 50 10 GICARN CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)N2CCc3ccccc32)cc1 ZINC000005098636 204110780 /nfs/dbraw/zinc/11/07/80/204110780.db2.gz VCNIUJYYZNPFDM-QFIPXVFZSA-N 0 0 379.548 4.409 50 10 GICARN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1 ZINC000005093478 204111656 /nfs/dbraw/zinc/11/16/56/204111656.db2.gz AWAMZZVDPOTHNZ-NTCAYCPXSA-N 0 0 388.539 4.368 50 10 GICARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1O ZINC000005743806 204150691 /nfs/dbraw/zinc/15/06/91/204150691.db2.gz KYEFFTBTODNNIY-JYRVWZFOSA-N 0 0 396.752 4.403 50 10 GICARN CCc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000005391325 204130438 /nfs/dbraw/zinc/13/04/38/204130438.db2.gz SOHIOWICWRMKMC-UHFFFAOYSA-N 0 0 396.443 4.001 50 10 GICARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(c2ccc3c(c2)OCO3)CO1 ZINC000005516185 204137190 /nfs/dbraw/zinc/13/71/90/204137190.db2.gz NVBAGYDHDKKIDG-UHFFFAOYSA-N 0 0 399.830 4.484 50 10 GICARN O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1cccnc1Cl ZINC000005517072 204137990 /nfs/dbraw/zinc/13/79/90/204137990.db2.gz KZXQUZBQDAORSR-UHFFFAOYSA-N 0 0 397.217 4.416 50 10 GICARN Cc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(Oc4ccccc4)cc3)=N2)cc1 ZINC000006817930 204211556 /nfs/dbraw/zinc/21/15/56/204211556.db2.gz KOFHRUZNEYCBOH-OAQYLSRUSA-N 0 0 399.450 4.134 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 ZINC000007423729 204241606 /nfs/dbraw/zinc/24/16/06/204241606.db2.gz PSMVRLNXFNUKCS-UHFFFAOYSA-N 0 0 387.892 4.480 50 10 GICARN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3ccco3)C2=O)cc1 ZINC000008992853 204295773 /nfs/dbraw/zinc/29/57/73/204295773.db2.gz SHJPIANUUVZFSJ-PGMHBOJBSA-N 0 0 387.439 4.103 50 10 GICARN CCc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009188378 204302034 /nfs/dbraw/zinc/30/20/34/204302034.db2.gz VSVQUMKLFHXUHN-ZDLGFXPLSA-N 0 0 383.494 4.379 50 10 GICARN Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009234365 204303140 /nfs/dbraw/zinc/30/31/40/204303140.db2.gz QXZPRFRAIIKUQF-DEDYPNTBSA-N 0 0 391.858 4.209 50 10 GICARN COc1ccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)cc1 ZINC000009228876 204303472 /nfs/dbraw/zinc/30/34/72/204303472.db2.gz YCHRUKGOYRNMDI-UHFFFAOYSA-N 0 0 379.460 4.433 50 10 GICARN COc1ccc2c(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)c[nH]c2c1 ZINC000009419972 204309481 /nfs/dbraw/zinc/30/94/81/204309481.db2.gz LOZOOALSMZHYEU-CAOOACKPSA-N 0 0 382.466 4.288 50 10 GICARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(O)c(O)c1 ZINC000010015036 204329469 /nfs/dbraw/zinc/32/94/69/204329469.db2.gz COAZTYMJWRKBQC-UHFFFAOYSA-N 0 0 399.472 4.430 50 10 GICARN COc1cccc(CNC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)c1 ZINC000013626890 204498359 /nfs/dbraw/zinc/49/83/59/204498359.db2.gz BAJSJAIMIDQFMU-CPNJWEJPSA-N 0 0 392.484 4.091 50 10 GICARN CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(O)c1 ZINC000013892834 204518404 /nfs/dbraw/zinc/51/84/04/204518404.db2.gz SJTLNPRKAVZFQV-ZDLGFXPLSA-N 0 0 399.541 4.035 50 10 GICARN COc1cccc(C=C2SC(NC3CCCCC3)=NC2=O)c1OC(F)F ZINC000015352887 204565297 /nfs/dbraw/zinc/56/52/97/204565297.db2.gz CHTDOXRVUUKXGL-UVTDQMKNSA-N 0 0 382.432 4.189 50 10 GICARN CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000015502952 204567021 /nfs/dbraw/zinc/56/70/21/204567021.db2.gz KWRIXLFHUQNKHU-KNQAVFIVSA-N 0 0 379.504 4.278 50 10 GICARN COCCNc1cc(NCc2ccco2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020322414 204712545 /nfs/dbraw/zinc/71/25/45/204712545.db2.gz VAEUOLFXFFLFBC-UHFFFAOYSA-N 0 0 389.411 4.303 50 10 GICARN CCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1 ZINC000028288279 204871187 /nfs/dbraw/zinc/87/11/87/204871187.db2.gz NZZMRRWISWKWHB-UHFFFAOYSA-N 0 0 375.472 4.393 50 10 GICARN COc1cccc2ccc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)nc21 ZINC000032051734 204907982 /nfs/dbraw/zinc/90/79/82/204907982.db2.gz YXLKOFZJMKJIAH-LICLKQGHSA-N 0 0 394.477 4.355 50 10 GICARN CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S ZINC000048263019 205116194 /nfs/dbraw/zinc/11/61/94/205116194.db2.gz BDBZRQVRHIFITB-QPEQYQDCSA-N 0 0 380.834 4.339 50 10 GICARN COc1cccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)c1 ZINC000051330800 205133394 /nfs/dbraw/zinc/13/33/94/205133394.db2.gz QDWCSKXJJCSBSN-ZDLGFXPLSA-N 0 0 381.478 4.420 50 10 GICARN Cc1cc(-c2cc(C(=O)N(C)Cc3ccccc3O)c3c(C)noc3n2)c(C)o1 ZINC000053915167 205138420 /nfs/dbraw/zinc/13/84/20/205138420.db2.gz WBUOSKYOWJXNQL-UHFFFAOYSA-N 0 0 391.427 4.386 50 10 GICARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3nccn3CC(F)(F)F)S2)c1 ZINC000058322999 205172272 /nfs/dbraw/zinc/17/22/72/205172272.db2.gz ZKKGXGARGPMCJP-JYRVWZFOSA-N 0 0 380.395 4.145 50 10 GICARN CC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1 ZINC000028272716 206040635 /nfs/dbraw/zinc/04/06/35/206040635.db2.gz KTPABDSGKJNCIN-UHFFFAOYSA-N 0 0 390.439 4.320 50 10 GICARN COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000033322336 206098944 /nfs/dbraw/zinc/09/89/44/206098944.db2.gz OLDNJBZQZBHBMS-GZTJUZNOSA-N 0 0 383.494 4.496 50 10 GICARN COc1ccc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC ZINC000012554655 221205387 /nfs/dbraw/zinc/20/53/87/221205387.db2.gz FUXIXVLOZOOTKC-UHFFFAOYSA-N 0 0 396.531 4.285 50 10 GICARN CN1CCCc2cc(/C=C/C(=O)Nc3nc(-c4ccccn4)cs3)ccc21 ZINC000061112991 136155891 /nfs/dbraw/zinc/15/58/91/136155891.db2.gz AMUGASZLTKUOAL-CSKARUKUSA-N 0 0 376.485 4.239 50 10 GICARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)COC3)c(C)n1-c1ccccc1 ZINC000064692075 222079342 /nfs/dbraw/zinc/07/93/42/222079342.db2.gz USOWESKPARJBOV-UHFFFAOYSA-N 0 0 375.424 4.164 50 10 GICARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC2CCCCC2)cc1 ZINC000000666458 570215408 /nfs/dbraw/zinc/21/54/08/570215408.db2.gz IUTDZODIHZVCQP-NRFANRHFSA-N 0 0 399.535 4.284 50 10 GICARN CCOC(=O)c1sc2nc(-c3ccc(Br)cc3)ccc2c1N ZINC000000972450 570232622 /nfs/dbraw/zinc/23/26/22/570232622.db2.gz UQROPDSWXLLGFP-UHFFFAOYSA-N 0 0 377.263 4.485 50 10 GICARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000000981283 570232897 /nfs/dbraw/zinc/23/28/97/570232897.db2.gz HFCFVQUVNXJRIY-BRYHAGSVSA-N 0 0 398.484 4.082 50 10 GICARN O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1CCc1ccccc1 ZINC000001149460 570248923 /nfs/dbraw/zinc/24/89/23/570248923.db2.gz IKHLZDHPUONDLJ-UYRXBGFRSA-N 0 0 379.506 4.449 50 10 GICARN COc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000001154110 570249443 /nfs/dbraw/zinc/24/94/43/570249443.db2.gz QBGKWRCLSKANHB-UHFFFAOYSA-N 0 0 375.925 4.176 50 10 GICARN CCOC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001215311 570258474 /nfs/dbraw/zinc/25/84/74/570258474.db2.gz HISPKQONUBVGML-GHXNOFRVSA-N 0 0 390.313 4.148 50 10 GICARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000001281122 570260154 /nfs/dbraw/zinc/26/01/54/570260154.db2.gz ZUCSWHRESOZPRO-GDNBJRDFSA-N 0 0 388.901 4.195 50 10 GICARN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000003129873 570330141 /nfs/dbraw/zinc/33/01/41/570330141.db2.gz YVQYASUYLOROAK-UHFFFAOYSA-N 0 0 398.418 4.279 50 10 GICARN Cc1ccccc1[C@@H]1CC(c2ccccc2O)=NN1S(=O)(=O)c1ccccc1 ZINC000023042547 570341286 /nfs/dbraw/zinc/34/12/86/570341286.db2.gz JWXFTIQFZKRXNK-NRFANRHFSA-N 0 0 392.480 4.241 50 10 GICARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1 ZINC000000823565 570375817 /nfs/dbraw/zinc/37/58/17/570375817.db2.gz KVNDDXIMDJTWIC-NRFANRHFSA-N 0 0 399.535 4.427 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2cccc3cccnc32)cc1 ZINC000025052776 570404481 /nfs/dbraw/zinc/40/44/81/570404481.db2.gz DPLHMBOTKVMPFE-UHFFFAOYSA-N 0 0 398.466 4.011 50 10 GICARN Cc1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000028272659 570453754 /nfs/dbraw/zinc/45/37/54/570453754.db2.gz QTXIJBCTLXPPKP-UHFFFAOYSA-N 0 0 384.382 4.396 50 10 GICARN C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000028288285 570454619 /nfs/dbraw/zinc/45/46/19/570454619.db2.gz PLJWWFIRBMXWOS-QGZVFWFLSA-N 0 0 393.462 4.287 50 10 GICARN Cc1cc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)c(C)n1-c1ccccn1 ZINC000252515769 570476323 /nfs/dbraw/zinc/47/63/23/570476323.db2.gz NGFUTOHDVQVDNF-BOCKYXSRSA-N 0 0 389.499 4.480 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000005180430 570495578 /nfs/dbraw/zinc/49/55/78/570495578.db2.gz SQZPWYVLIDVXRC-QLDZPZBVSA-N 0 0 391.500 4.467 50 10 GICARN CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000002701143 570505652 /nfs/dbraw/zinc/50/56/52/570505652.db2.gz BLVXRTLKKCLMIO-SSZFMOIBSA-N 0 0 377.531 4.320 50 10 GICARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)SC1=S ZINC000033909236 570530348 /nfs/dbraw/zinc/53/03/48/570530348.db2.gz BSSVEIZKSXCXDI-PEZBUJJGSA-N 0 0 380.560 4.457 50 10 GICARN Cc1ccc([C@@H](c2cc(Cl)c3cccnc3c2[O-])[NH+]2CCN(C)CC2)cc1 ZINC000022861018 570558453 /nfs/dbraw/zinc/55/84/53/570558453.db2.gz SMBVLTDYPBOIRN-NRFANRHFSA-N 0 0 381.907 4.239 50 10 GICARN CC(=O)c1ccc(N2N=C(C)C3=S2N(c2ccc(C(C)=O)cc2)N=C3C)cc1 ZINC000005482665 570610532 /nfs/dbraw/zinc/61/05/32/570610532.db2.gz BRPRUXFTSXODPN-UHFFFAOYSA-N 0 0 392.484 4.455 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(F)cccc3F)c2C)cc1 ZINC000006830885 570634243 /nfs/dbraw/zinc/63/42/43/570634243.db2.gz VEFGSOFYRRRWFL-UHFFFAOYSA-N 0 0 399.393 4.421 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc4ccccn43)c2C)cc1 ZINC000000952456 570737568 /nfs/dbraw/zinc/73/75/68/570737568.db2.gz XJAOVJWZBDTRPC-UHFFFAOYSA-N 0 0 392.484 4.120 50 10 GICARN COc1ccc(C=C2SC(=S)NC2=O)cc1OCc1ccc(Cl)cc1 ZINC000001024257 570747122 /nfs/dbraw/zinc/74/71/22/570747122.db2.gz HAKWHYMIVPBZFS-SXGWCWSVSA-N 0 0 391.901 4.416 50 10 GICARN COc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000001216415 570814863 /nfs/dbraw/zinc/81/48/63/570814863.db2.gz UNCSTXORGBARFG-NRFANRHFSA-N 0 0 384.435 4.468 50 10 GICARN Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1 ZINC000001221502 570821522 /nfs/dbraw/zinc/82/15/22/570821522.db2.gz ZCYVNGSVXUKMFW-UHFFFAOYSA-N 0 0 392.440 4.431 50 10 GICARN Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1cccc(Br)c1 ZINC000012522475 570829214 /nfs/dbraw/zinc/82/92/14/570829214.db2.gz XRSDHYHKJPKKCQ-UHFFFAOYSA-N 0 0 390.306 4.008 50 10 GICARN CCOc1c(Cl)cc(C=C2SC(NC3CCCC3)=NC2=O)cc1OC ZINC000032812217 570834064 /nfs/dbraw/zinc/83/40/64/570834064.db2.gz FXJRPAYYBRTHLP-GDNBJRDFSA-N 0 0 380.897 4.250 50 10 GICARN COC(=O)COc1ccc(N(C)Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000170594186 570852344 /nfs/dbraw/zinc/85/23/44/570852344.db2.gz KCKGOCNCJYNDJV-UHFFFAOYSA-N 0 0 386.448 4.137 50 10 GICARN Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(O)c1O ZINC000015016246 570871921 /nfs/dbraw/zinc/87/19/21/570871921.db2.gz YDGZZKGWZWGXJA-VLIAUNLRSA-N 0 0 380.425 4.107 50 10 GICARN Cc1cc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000170624982 570880989 /nfs/dbraw/zinc/88/09/89/570880989.db2.gz NGFUTOHDVQVDNF-FHJLPGHOSA-N 0 0 389.499 4.480 50 10 GICARN CN(C)c1ccc(CN(C)C(=O)CSc2ccc(Br)cc2)cc1 ZINC000015403963 570933805 /nfs/dbraw/zinc/93/38/05/570933805.db2.gz LHCSNXODKBWDCD-UHFFFAOYSA-N 0 0 393.350 4.266 50 10 GICARN COc1ccc(C(=O)N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000005003427 571041752 /nfs/dbraw/zinc/04/17/52/571041752.db2.gz KJMWWJRQNZODGF-LICLKQGHSA-N 0 0 394.477 4.218 50 10 GICARN C[C@H]1CN2c3ccccc3C(C)(C)[C@]2(/C=C/c2ccc(N(C)C)cc2)NC1=O ZINC000002295014 817383058 /nfs/dbraw/zinc/38/30/58/817383058.db2.gz YXVYMGORJIFWRG-OJFFMAKCSA-N 0 0 375.516 4.026 50 10 GICARN CCc1cc2c(=O)c(Oc3ccccc3[N+](=O)[O-])c(C)oc2c(C[NH+](C)C)c1[O-] ZINC000003180668 817420264 /nfs/dbraw/zinc/42/02/64/817420264.db2.gz JOFIRGZNOZARAI-UHFFFAOYSA-N 0 0 398.415 4.132 50 10 GICARN COc1ccc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 ZINC000003858710 817494951 /nfs/dbraw/zinc/49/49/51/817494951.db2.gz WURBEJRCVYWBPQ-JVDIEWMDSA-N 0 0 396.859 4.016 50 10 GICARN CCS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000021692981 818726887 /nfs/dbraw/zinc/72/68/87/818726887.db2.gz QMQFVCCDDWOVHW-UHFFFAOYSA-N 0 0 382.485 4.140 50 10 GICARN CN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001206497 203896751 /nfs/dbraw/zinc/89/67/51/203896751.db2.gz QRLQRDGDQZCYTB-YBEGLDIGSA-N 0 0 386.454 4.005 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000001009739 203872846 /nfs/dbraw/zinc/87/28/46/203872846.db2.gz HFVUEIKFKMSDJF-BOPFTXTBSA-N 0 0 387.482 4.118 50 10 GICARN Cc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000002677393 203955819 /nfs/dbraw/zinc/95/58/19/203955819.db2.gz FSQAWWSKPXVECP-QGOAFFKASA-N 0 0 385.510 4.284 50 10 GICARN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(C(=O)OC)=C1C ZINC000003651911 204016411 /nfs/dbraw/zinc/01/64/11/204016411.db2.gz BBXZNEQNDIUUKU-BKUYFWCQSA-N 0 0 392.499 4.403 50 10 GICARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1Cc1ccccc1 ZINC000004176607 204029791 /nfs/dbraw/zinc/02/97/91/204029791.db2.gz WGMTWAXGNPWAAP-QLDZPZBVSA-N 0 0 376.485 4.320 50 10 GICARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(F)c1 ZINC000004704727 204066388 /nfs/dbraw/zinc/06/63/88/204066388.db2.gz WFOIIIYLDMOAHZ-JAIQZWGSSA-N 0 0 389.455 4.004 50 10 GICARN Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000004702440 204066728 /nfs/dbraw/zinc/06/67/28/204066728.db2.gz LNMHGGQZGRAERZ-MOSHPQCFSA-N 0 0 395.890 4.342 50 10 GICARN CN1C(=O)/C(=C\c2cc(Cc3ccccc3Cl)ccc2O)SC1=S ZINC000004725018 204069901 /nfs/dbraw/zinc/06/99/01/204069901.db2.gz YECBEAARYAIMGJ-MHWRWJLKSA-N 0 0 375.902 4.467 50 10 GICARN COc1cc(/C=C2\SC(N3CCCC3)=NC2=O)ccc1OCc1ccccc1 ZINC000004785119 204076127 /nfs/dbraw/zinc/07/61/27/204076127.db2.gz NDDCQIJVDVKGML-ZHZULCJRSA-N 0 0 394.496 4.340 50 10 GICARN Cc1cc(C(=O)COC(=O)c2sc(C)nc2C)c(C)n1-c1cccc(F)c1 ZINC000004541362 204051083 /nfs/dbraw/zinc/05/10/83/204051083.db2.gz SSCBMUFZYAZICD-UHFFFAOYSA-N 0 0 386.448 4.346 50 10 GICARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1cccs1 ZINC000004608529 204057003 /nfs/dbraw/zinc/05/70/03/204057003.db2.gz DDEYIRDVKLBIOS-FOWTUZBSSA-N 0 0 389.933 4.194 50 10 GICARN COc1cccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)c1 ZINC000004949819 204096477 /nfs/dbraw/zinc/09/64/77/204096477.db2.gz GTGIZKMPVSADPH-OAQYLSRUSA-N 0 0 384.435 4.468 50 10 GICARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@H]1c1ccc(N(C)C)cc1 ZINC000004982485 204100312 /nfs/dbraw/zinc/10/03/12/204100312.db2.gz HKLWBQXDUWLMNH-WMZHIEFXSA-N 0 0 377.488 4.021 50 10 GICARN COc1ccc(C2=C/C(=C/c3ccc(OC)c(Br)c3)C(=O)O2)cc1 ZINC000005061378 204108354 /nfs/dbraw/zinc/10/83/54/204108354.db2.gz KFECPIWAIDEXMO-ZROIWOOFSA-N 0 0 387.229 4.448 50 10 GICARN Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1ccc(F)cc1 ZINC000005711468 204147982 /nfs/dbraw/zinc/14/79/82/204147982.db2.gz YBRQCFPZXXWRSB-UHFFFAOYSA-N 0 0 386.810 4.321 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O)SC2=S)cc1 ZINC000005953626 204158649 /nfs/dbraw/zinc/15/86/49/204158649.db2.gz CXAMVPAFMRMIHJ-WJDWOHSUSA-N 0 0 387.482 4.205 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(NC(=O)/C=C/c3ccco3)cc2)SC1=S ZINC000005447365 204133293 /nfs/dbraw/zinc/13/32/93/204133293.db2.gz ZNJPYQOESWJLOE-HMSDUJDUSA-N 0 0 384.482 4.153 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000005689814 204147221 /nfs/dbraw/zinc/14/72/21/204147221.db2.gz OPWRBAMCCCFWKE-UHFFFAOYSA-N 0 0 375.472 4.183 50 10 GICARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)S1 ZINC000006822241 204212438 /nfs/dbraw/zinc/21/24/38/204212438.db2.gz ANUHGUHIJKSUDR-BOPFTXTBSA-N 0 0 382.445 4.052 50 10 GICARN Cc1ccc(C)c(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000006427881 204178672 /nfs/dbraw/zinc/17/86/72/204178672.db2.gz HTQZBLIEACMAPM-UHFFFAOYSA-N 0 0 398.414 4.119 50 10 GICARN COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)ccc1O ZINC000006721612 204193969 /nfs/dbraw/zinc/19/39/69/204193969.db2.gz STUHSFOQOSLBEY-MBSDFSHPSA-N 0 0 388.423 4.349 50 10 GICARN CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000007125028 204234166 /nfs/dbraw/zinc/23/41/66/204234166.db2.gz XQMBLIZOMYBUJI-UHFFFAOYSA-N 0 0 397.500 4.318 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1 ZINC000007423603 204241089 /nfs/dbraw/zinc/24/10/89/204241089.db2.gz JKYSVJNOXSSDNI-UHFFFAOYSA-N 0 0 393.512 4.167 50 10 GICARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccccc1O ZINC000009188918 204302040 /nfs/dbraw/zinc/30/20/40/204302040.db2.gz QNCQQSGCSRAUGW-HKWRFOASSA-N 0 0 378.497 4.317 50 10 GICARN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CC)C3=O)o2)cc1 ZINC000012411881 204406701 /nfs/dbraw/zinc/40/67/01/204406701.db2.gz AWCFLJSEWFNWDU-LFIBNONCSA-N 0 0 387.482 4.344 50 10 GICARN CCOc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1O ZINC000013897035 204518429 /nfs/dbraw/zinc/51/84/29/204518429.db2.gz FBZFCLRJQPAHSV-LGMDPLHJSA-N 0 0 385.510 4.235 50 10 GICARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000015502950 204566714 /nfs/dbraw/zinc/56/67/14/204566714.db2.gz KWRIXLFHUQNKHU-DENIHFKCSA-N 0 0 379.504 4.278 50 10 GICARN Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000020037205 204699145 /nfs/dbraw/zinc/69/91/45/204699145.db2.gz IBHWNVUTVATOPB-WSRSWEMPSA-N 0 0 376.485 4.488 50 10 GICARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C2=N)S1 ZINC000032964399 204936038 /nfs/dbraw/zinc/93/60/38/204936038.db2.gz VNESPYCVIAPOKP-JUVBEIPNSA-N 0 0 395.463 4.282 50 10 GICARN Cc1cc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000040104889 205053215 /nfs/dbraw/zinc/05/32/15/205053215.db2.gz MQVHJYLOHVQDGK-UHFFFAOYSA-N 0 0 377.492 4.219 50 10 GICARN Cn1ccc2c1cccc2-c1c(-c2ccccc2)ncn1CCN1CCOC1=O ZINC000065461181 205234756 /nfs/dbraw/zinc/23/47/56/205234756.db2.gz QGSRVENPWLVRJL-UHFFFAOYSA-N 0 0 386.455 4.161 50 10 GICARN CC(NCCc1c[nH]c2ccc(F)cc12)=C1C(=O)N(c2ccccc2)N=C1C ZINC000100423020 205608369 /nfs/dbraw/zinc/60/83/69/205608369.db2.gz WBUZOWRSZKGCDB-STZFKDTASA-N 0 0 376.435 4.136 50 10 GICARN COc1ccc2[nH]cc(CCNC(C)=C3C(C)=NN(c4ccccc4)C3=O)c2c1 ZINC000100422972 205608805 /nfs/dbraw/zinc/60/88/05/205608805.db2.gz DOLDJUJIZJMIIS-JCMHNJIXSA-N 0 0 388.471 4.005 50 10 GICARN CCn1cc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000005265961 205763835 /nfs/dbraw/zinc/76/38/35/205763835.db2.gz SJMIQLGMVHJSNN-UHFFFAOYSA-N 0 0 378.476 4.024 50 10 GICARN O=C([O-])[C@@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)[NH+]1CCCCC1 ZINC000101090831 205808891 /nfs/dbraw/zinc/80/88/91/205808891.db2.gz ARBNKZFKGXIRPO-QNBCRBJRSA-N 0 0 380.448 4.370 50 10 GICARN Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000102907378 205814361 /nfs/dbraw/zinc/81/43/61/205814361.db2.gz URVOPYQGLVPBJJ-AUSIDOKSSA-N 0 0 386.407 4.363 50 10 GICARN COCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000026965380 206007238 /nfs/dbraw/zinc/00/72/38/206007238.db2.gz ZDONDGOHJWCTTG-GDNBJRDFSA-N 0 0 379.890 4.448 50 10 GICARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC ZINC000032904680 206097152 /nfs/dbraw/zinc/09/71/52/206097152.db2.gz DCANUIDNSRCOLJ-PCLFDXGNSA-N 0 0 380.488 4.147 50 10 GICARN Cn1c(/C=C2\c3ccccc3N(Cc3ccccc3)C2=O)nc2ccccc2c1=O ZINC000032629546 206091003 /nfs/dbraw/zinc/09/10/03/206091003.db2.gz RZFKEINVYAAVQS-HMMYKYKNSA-N 0 0 393.446 4.021 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000096551490 206123151 /nfs/dbraw/zinc/12/31/51/206123151.db2.gz FHKYFIJYBKISJW-GDNBJRDFSA-N 0 0 389.885 4.390 50 10 GICARN CC(NCC(C)C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000001202355 206211646 /nfs/dbraw/zinc/21/16/46/206211646.db2.gz HEUVFZNZPAUBBA-JLHYYAGUSA-N 0 0 382.411 4.081 50 10 GICARN CN(C)c1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 ZINC000032741129 221731750 /nfs/dbraw/zinc/73/17/50/221731750.db2.gz RVJDGAJZUSQYIY-UHFFFAOYSA-N 0 0 394.496 4.182 50 10 GICARN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000000677541 570216470 /nfs/dbraw/zinc/21/64/70/570216470.db2.gz KJYQNIKVISLHAL-MOSHPQCFSA-N 0 0 395.890 4.291 50 10 GICARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000000974629 570232584 /nfs/dbraw/zinc/23/25/84/570232584.db2.gz QDJWOLKXPNJPAH-ZROIWOOFSA-N 0 0 377.874 4.460 50 10 GICARN O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1)c1ccccc1 ZINC000001107744 570242382 /nfs/dbraw/zinc/24/23/82/570242382.db2.gz XQDZKWGLVPNGRB-UHFFFAOYSA-N 0 0 382.634 4.127 50 10 GICARN CCS(=O)(=O)Nc1cc(Sc2nc3ccccc3s2)c(O)cc1C ZINC000011635035 570242978 /nfs/dbraw/zinc/24/29/78/570242978.db2.gz DRQQGYPWODRLFC-UHFFFAOYSA-N 0 0 380.516 4.223 50 10 GICARN COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000001116363 570243092 /nfs/dbraw/zinc/24/30/92/570243092.db2.gz QSDJWEANOIONMC-UHFFFAOYSA-N 0 0 380.275 4.356 50 10 GICARN CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2[N+](=O)[O-])SC1=S ZINC000001159865 570251392 /nfs/dbraw/zinc/25/13/92/570251392.db2.gz ZIUAGVKURBSXAZ-YBEGLDIGSA-N 0 0 386.454 4.005 50 10 GICARN COc1ccc2c3ccc(OCC(=O)c4ccc(F)cc4)cc3oc(=O)c2c1 ZINC000001184348 570256227 /nfs/dbraw/zinc/25/62/27/570256227.db2.gz VLRMFZWSMYUFTJ-UHFFFAOYSA-N 0 0 378.355 4.356 50 10 GICARN CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000001191224 570256899 /nfs/dbraw/zinc/25/68/99/570256899.db2.gz SWDAURBSOYSTQD-SFQUDFHCSA-N 0 0 382.510 4.356 50 10 GICARN CN(Cc1ccc(Cl)cc1Cl)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000012851994 570266262 /nfs/dbraw/zinc/26/62/62/570266262.db2.gz NLHZYSQSCKYCQT-UHFFFAOYSA-N 0 0 380.227 4.143 50 10 GICARN CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1cccs1 ZINC000100864843 570278659 /nfs/dbraw/zinc/27/86/59/570278659.db2.gz WERCURNUCRJVAT-NTEUORMPSA-N 0 0 394.237 4.159 50 10 GICARN COCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000002678080 570294774 /nfs/dbraw/zinc/29/47/74/570294774.db2.gz CXHCJSSZIIYZSI-AQTBWJFISA-N 0 0 385.510 4.113 50 10 GICARN CC(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)C)c1O ZINC000002883559 570315958 /nfs/dbraw/zinc/31/59/58/570315958.db2.gz KDRMLWPXAPLFRO-UHFFFAOYSA-N 0 0 378.450 4.348 50 10 GICARN CCCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O ZINC000000801076 570341755 /nfs/dbraw/zinc/34/17/55/570341755.db2.gz BIQMEYCMAGHOEQ-IBGZPJMESA-N 0 0 398.846 4.328 50 10 GICARN CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccc(Cl)cc1 ZINC000100249982 570341831 /nfs/dbraw/zinc/34/18/31/570341831.db2.gz FJJRILGMFASOIK-ATVHPVEESA-N 0 0 390.270 4.364 50 10 GICARN Cc1cc(C(=O)COC(=O)c2cnc(C)cn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000006350466 570395827 /nfs/dbraw/zinc/39/58/27/570395827.db2.gz XEXTXLUEWVHJGE-UHFFFAOYSA-N 0 0 391.471 4.356 50 10 GICARN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000002702140 570505655 /nfs/dbraw/zinc/50/56/55/570505655.db2.gz VGVANWKMUFWGHV-PDGQHHTCSA-N 0 0 397.525 4.117 50 10 GICARN COc1ccc(-c2c(C)c3ccc([O-])c(C[NH+]4CCCC4)c3oc2=O)c(OC)c1 ZINC000006623780 570508052 /nfs/dbraw/zinc/50/80/52/570508052.db2.gz NAABCJZEFYMJAQ-UHFFFAOYSA-N 0 0 395.455 4.087 50 10 GICARN CCOc1ccccc1N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002325437 570543341 /nfs/dbraw/zinc/54/33/41/570543341.db2.gz OHSWSILSYXBKON-WJDWOHSUSA-N 0 0 381.482 4.367 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 ZINC000005718715 570734308 /nfs/dbraw/zinc/73/43/08/570734308.db2.gz ADMGCTAFNJWVQW-GZTJUZNOSA-N 0 0 387.482 4.205 50 10 GICARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)C(C(=O)OC)=C1C ZINC000001104141 570754777 /nfs/dbraw/zinc/75/47/77/570754777.db2.gz HRAOJMAZLFRVFP-UYRXBGFRSA-N 0 0 378.472 4.095 50 10 GICARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(Cl)cc1 ZINC000013532630 570756503 /nfs/dbraw/zinc/75/65/03/570756503.db2.gz XSJZXBZJZYMUBX-XMHGGMMESA-N 0 0 397.931 4.128 50 10 GICARN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000013689708 570775132 /nfs/dbraw/zinc/77/51/32/570775132.db2.gz AFMMBNCXACPRFC-ZDLGFXPLSA-N 0 0 399.493 4.215 50 10 GICARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(OC)c1OC ZINC000013770741 570788082 /nfs/dbraw/zinc/78/80/82/570788082.db2.gz WCHUOQLZLLEQSH-WJDWOHSUSA-N 0 0 393.530 4.246 50 10 GICARN CC(C)OC(=O)CN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S ZINC000005834937 570796089 /nfs/dbraw/zinc/79/60/89/570796089.db2.gz UUTMLPQNBNHJGL-WUXMJOGZSA-N 0 0 390.313 4.146 50 10 GICARN Cn1c(/C=C2/c3ccccc3N(Cc3ccccc3)C2=O)nc2ccccc2c1=O ZINC000018037430 570796819 /nfs/dbraw/zinc/79/68/19/570796819.db2.gz RZFKEINVYAAVQS-HKWRFOASSA-N 0 0 393.446 4.021 50 10 GICARN COc1ccc(C=C2SC(=S)NC2=O)cc1COc1ccc(F)cc1F ZINC000013882303 570798582 /nfs/dbraw/zinc/79/85/82/570798582.db2.gz HZUBJZJUTLPSPC-APSNUPSMSA-N 0 0 393.436 4.041 50 10 GICARN CCCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000018167496 570807166 /nfs/dbraw/zinc/80/71/66/570807166.db2.gz YLGIAGJWGFCVSN-GOMUQIMISA-N 0 0 388.533 4.335 50 10 GICARN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)sc2c1 ZINC000101128670 570815681 /nfs/dbraw/zinc/81/56/81/570815681.db2.gz IFNGGZGCIVIIGT-LFIBNONCSA-N 0 0 378.457 4.332 50 10 GICARN Cc1cc2c(c(Br)c1)NC(=O)/C2=C1\SC(c2ccccc2)=NC1=O ZINC000101392316 570821724 /nfs/dbraw/zinc/82/17/24/570821724.db2.gz MPBFLGRDBIGFDE-SQFISAMPSA-N 0 0 399.269 4.141 50 10 GICARN O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1cccc(Cl)c1 ZINC000001958838 570827079 /nfs/dbraw/zinc/82/70/79/570827079.db2.gz VASPPWRYUGYNEW-ZSOIEALJSA-N 0 0 392.864 4.025 50 10 GICARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc2c(c1)OCO2 ZINC000102907269 570870993 /nfs/dbraw/zinc/87/09/93/570870993.db2.gz LTXISQBKRVUWGH-FDDCHVKYSA-N 0 0 386.407 4.363 50 10 GICARN Cc1cc(C)cc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000015800698 570905109 /nfs/dbraw/zinc/90/51/09/570905109.db2.gz YKDRUSYVUKNGHR-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN Cc1cccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c1C ZINC000001262823 570951321 /nfs/dbraw/zinc/95/13/21/570951321.db2.gz NNEZEVWEGLFOMK-DHDCSXOGSA-N 0 0 388.539 4.205 50 10 GICARN O=C1/C(=C/c2ccccn2)SC(=S)N1c1cccc(Br)c1 ZINC000002259362 817381749 /nfs/dbraw/zinc/38/17/49/817381749.db2.gz GKVSVBGPHWRTIN-LCYFTJDESA-N 0 0 377.288 4.250 50 10 GICARN COC(=O)c1[nH]c2ccc(C)cc2c1/N=N/N1CCN(c2ccccc2)CC1 ZINC000002283250 817382461 /nfs/dbraw/zinc/38/24/61/817382461.db2.gz QTBFDZYGEFAIRY-WCWDXBQESA-N 0 0 377.448 4.084 50 10 GICARN CN(C)c1ccc(/C=C/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000002292135 817382869 /nfs/dbraw/zinc/38/28/69/817382869.db2.gz SVBAOQYJKKLVCS-GUTMTIDZSA-N 0 0 387.527 4.336 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000002372677 817386144 /nfs/dbraw/zinc/38/61/44/817386144.db2.gz CQYOELOZCRPJDH-CDMRAEPUSA-N 0 0 397.891 4.305 50 10 GICARN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(O)c4ccccc34)c3cccc1c23 ZINC000002494771 817391429 /nfs/dbraw/zinc/39/14/29/817391429.db2.gz HPQFRSUJNLKMGN-UHFFFAOYSA-N 0 0 390.420 4.065 50 10 GICARN CCCCC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O ZINC000002921375 817406198 /nfs/dbraw/zinc/40/61/98/817406198.db2.gz YUDOINUASGGSLQ-IBGZPJMESA-N 0 0 379.416 4.244 50 10 GICARN Cc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000003343099 817439745 /nfs/dbraw/zinc/43/97/45/817439745.db2.gz YFZANLTVJVLQAE-INIZCTEOSA-N 0 0 394.446 4.267 50 10 GICARN Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(C)C3=O)cc2c1 ZINC000012946491 818196500 /nfs/dbraw/zinc/19/65/00/818196500.db2.gz MECQKOGAAZIEFH-SFQUDFHCSA-N 0 0 383.542 4.365 50 10 GICARN COc1ccc(C2=C/C(=C/c3cccc(Br)c3)C(=O)O2)c(OC)c1 ZINC000020035514 818611342 /nfs/dbraw/zinc/61/13/42/818611342.db2.gz GBKPRXXZCOTHMJ-JYRVWZFOSA-N 0 0 387.229 4.448 50 10 GICARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000000759225 203852061 /nfs/dbraw/zinc/85/20/61/203852061.db2.gz SIZWDJIHABLBSP-ZWCUEREDSA-N 0 0 376.481 4.314 50 10 in-vitro GICARN O=C(CC1(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000001203730 203896719 /nfs/dbraw/zinc/89/67/19/203896719.db2.gz VMBXCCAPSRBYDS-UHFFFAOYSA-N 0 0 399.402 4.476 50 10 GICARN COc1ccc(Br)cc1/C=C1\SC(N2CCC(C)CC2)=NC1=O ZINC000001099820 203883107 /nfs/dbraw/zinc/88/31/07/203883107.db2.gz NNNNLPHBHKDLDG-GDNBJRDFSA-N 0 0 395.322 4.160 50 10 GICARN COc1ccc2c(c1)N(C)/C(=C1\SC(=S)N(c3ccccc3)C1=O)S2 ZINC000003465988 204008699 /nfs/dbraw/zinc/00/86/99/204008699.db2.gz VXOJAIVHTRFBRK-BMRADRMJSA-N 0 0 386.523 4.471 50 10 GICARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)c1ccc(Br)cc1 ZINC000004379943 204042633 /nfs/dbraw/zinc/04/26/33/204042633.db2.gz BDWFJXAVKKJIKS-UHFFFAOYSA-N 0 0 399.273 4.244 50 10 GICARN Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)ccc1N1CCCC1 ZINC000003662708 204018610 /nfs/dbraw/zinc/01/86/10/204018610.db2.gz ITAKUZKATXGXCN-HKWRFOASSA-N 0 0 383.561 4.328 50 10 GICARN CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000004043603 204024976 /nfs/dbraw/zinc/02/49/76/204024976.db2.gz JKGCBZXHNUIVLO-QRWLVFNGSA-N 0 0 387.524 4.140 50 10 GICARN COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000004863264 204083464 /nfs/dbraw/zinc/08/34/64/204083464.db2.gz FGEKTVXRLJSVQV-QNGOZBTKSA-N 0 0 399.406 4.438 50 10 GICARN Oc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)c(Cl)c3)SC2)cc1O ZINC000004598346 204056567 /nfs/dbraw/zinc/05/65/67/204056567.db2.gz MFYZZFHCAZINJS-UHFFFAOYSA-N 0 0 393.255 4.021 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC1=S ZINC000004677319 204063489 /nfs/dbraw/zinc/06/34/89/204063489.db2.gz CESZXPLBFFWZDW-JXAWBTAJSA-N 0 0 385.510 4.366 50 10 GICARN Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)c1 ZINC000005101282 204111669 /nfs/dbraw/zinc/11/16/69/204111669.db2.gz WSPIOAUXBORBMP-KGENOOAVSA-N 0 0 399.406 4.443 50 10 GICARN Cc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000004921806 204092813 /nfs/dbraw/zinc/09/28/13/204092813.db2.gz YKQNRDPMJPAHHM-YKPRPPQLSA-N 0 0 380.835 4.198 50 10 GICARN CSC1=NC(C)(C)C[C@@]2(C[C@@H](c3cccs3)c3ccc(O)c(O)c3O2)N1 ZINC000005839982 204153454 /nfs/dbraw/zinc/15/34/54/204153454.db2.gz MBCPPOKJQJROEC-BLVKFPJESA-N 0 0 390.530 4.261 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C(C)C)[nH]3)c2C)cc1 ZINC000005931851 204157344 /nfs/dbraw/zinc/15/73/44/204157344.db2.gz UXDDBXPODBVIJH-UHFFFAOYSA-N 0 0 384.505 4.319 50 10 GICARN CN1C(=O)/C(=C/c2cc(Cc3ccccc3Cl)ccc2O)SC1=S ZINC000005577217 204141776 /nfs/dbraw/zinc/14/17/76/204141776.db2.gz YECBEAARYAIMGJ-YBEGLDIGSA-N 0 0 375.902 4.467 50 10 GICARN COc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 ZINC000005622835 204143432 /nfs/dbraw/zinc/14/34/32/204143432.db2.gz QIZKGALVFYRDRF-UHFFFAOYSA-N 0 0 393.439 4.151 50 10 GICARN CCc1ccc(N2N=C(C)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000005657374 204144338 /nfs/dbraw/zinc/14/43/38/204144338.db2.gz UIYHEOMMHBMKHK-PDGQHHTCSA-N 0 0 378.432 4.029 50 10 GICARN Cc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(Oc4ccccc4)cc3)=N2)cc1 ZINC000006817928 204211695 /nfs/dbraw/zinc/21/16/95/204211695.db2.gz KOFHRUZNEYCBOH-NRFANRHFSA-N 0 0 399.450 4.134 50 10 GICARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S ZINC000006325738 204174273 /nfs/dbraw/zinc/17/42/73/204174273.db2.gz NXKOQXANEXOKQW-ATVHPVEESA-N 0 0 392.509 4.155 50 10 GICARN COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000006721757 204194113 /nfs/dbraw/zinc/19/41/13/204194113.db2.gz FFWLQISPOPZIPC-WMZHIEFXSA-N 0 0 387.439 4.347 50 10 GICARN CCOc1ccc(-n2c(C)cc(C(=O)CSc3cccc[n+]3[O-])c2C)cc1 ZINC000007372647 204239602 /nfs/dbraw/zinc/23/96/02/204239602.db2.gz FICKVBPFWKYKAJ-UHFFFAOYSA-N 0 0 382.485 4.101 50 10 GICARN COc1ccc(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)c(OC)c1OC ZINC000007587334 204243749 /nfs/dbraw/zinc/24/37/49/204243749.db2.gz RPWHEEUUNOFABA-BOPFTXTBSA-N 0 0 398.484 4.412 50 10 GICARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008845965 204291154 /nfs/dbraw/zinc/29/11/54/204291154.db2.gz AGSKHBHRLGFPGC-UHFFFAOYSA-N 0 0 379.416 4.096 50 10 GICARN CCCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)NC1=S ZINC000009009464 204296462 /nfs/dbraw/zinc/29/64/62/204296462.db2.gz AEEMGKRZJKZPGD-UYRXBGFRSA-N 0 0 395.528 4.241 50 10 GICARN COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000009187958 204301937 /nfs/dbraw/zinc/30/19/37/204301937.db2.gz WIQHEHMPLASIFT-YVLHZVERSA-N 0 0 393.530 4.246 50 10 GICARN COCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000009189374 204302263 /nfs/dbraw/zinc/30/22/63/204302263.db2.gz HIIBTLHPNIZOAH-AQTBWJFISA-N 0 0 385.510 4.113 50 10 GICARN CC(=O)c1cccc(NC=C2SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000009422759 204311239 /nfs/dbraw/zinc/31/12/39/204311239.db2.gz NMJOYFSQXNGBPY-QGOAFFKASA-N 0 0 382.510 4.246 50 10 GICARN COc1ccc2c(c1)CCCN2CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000011419838 204345495 /nfs/dbraw/zinc/34/54/95/204345495.db2.gz OSCCUCKMJNMTQU-QHCPKHFHSA-N 0 0 392.524 4.415 50 10 GICARN CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)C2CCCCC2)cc1 ZINC000014610863 204538034 /nfs/dbraw/zinc/53/80/34/204538034.db2.gz PCMDNGGQBOZDKE-UHFFFAOYSA-N 0 0 393.491 4.437 50 10 GICARN CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000016688874 204599818 /nfs/dbraw/zinc/59/98/18/204599818.db2.gz XMTFQVLEQXISRW-ATVHPVEESA-N 0 0 382.510 4.089 50 10 GICARN CCCCOc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1OC ZINC000016699688 204599999 /nfs/dbraw/zinc/59/99/99/204599999.db2.gz KOSSUJMIGOEUEN-LGMDPLHJSA-N 0 0 395.546 4.112 50 10 GICARN O=C(c1ccccc1)c1cc(Cl)ccc1NCN1C(=O)c2ccccc2C1=O ZINC000020095107 204699787 /nfs/dbraw/zinc/69/97/87/204699787.db2.gz HBRQGTNJUKPRCR-UHFFFAOYSA-N 0 0 390.826 4.237 50 10 GICARN COc1ccc2nc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)ccc2c1 ZINC000051330843 205133336 /nfs/dbraw/zinc/13/33/36/205133336.db2.gz XUQZGFGBAQHXNO-YVLHZVERSA-N 0 0 382.466 4.238 50 10 GICARN CCn1ccc2ccc(-c3c(-c4ccccc4)ncn3C[C@H](O)COC)cc21 ZINC000065370588 205231820 /nfs/dbraw/zinc/23/18/20/205231820.db2.gz RNNWSFYKGQDQEO-FQEVSTJZSA-N 0 0 375.472 4.199 50 10 GICARN COc1ccc2c(c1)OCC(C=C1SC(Nc3ccccc3C)=NC1=O)=C2 ZINC000096794907 205570689 /nfs/dbraw/zinc/57/06/89/205570689.db2.gz CQIQONIMARXUEZ-VXLYETTFSA-N 0 0 378.453 4.405 50 10 GICARN CC(NCCc1cccs1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000100213219 205605483 /nfs/dbraw/zinc/60/54/83/205605483.db2.gz NUNQXANAOFBSRA-ATVHPVEESA-N 0 0 382.514 4.187 50 10 GICARN Cc1cccc2c1NC(=O)/C2=C1\SC(N(C)c2ccc(Cl)cc2)=NC1=O ZINC000101017280 205616041 /nfs/dbraw/zinc/61/60/41/205616041.db2.gz VETCGCKWMNHOOF-PEZBUJJGSA-N 0 0 383.860 4.077 50 10 GICARN COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccccc1 ZINC000044085886 205662007 /nfs/dbraw/zinc/66/20/07/205662007.db2.gz ZMNHWKAKBAWRRM-UHFFFAOYSA-N 0 0 381.501 4.236 50 10 GICARN CC(=O)c1ccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 ZINC000013549081 205888389 /nfs/dbraw/zinc/88/83/89/205888389.db2.gz LFKAEDWEIQIAOF-WQRHYEAKSA-N 0 0 398.260 4.370 50 10 GICARN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C)n1-c1ccccc1F ZINC000029888665 206073197 /nfs/dbraw/zinc/07/31/97/206073197.db2.gz ZFRQXZVEJYWLQI-UHFFFAOYSA-N 0 0 379.391 4.344 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=N)S1 ZINC000033333350 206097978 /nfs/dbraw/zinc/09/79/78/206097978.db2.gz UFXQDCDWKVRQCZ-KDAGATOZSA-N 0 0 390.468 4.295 50 10 GICARN Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(C)c(I)c1 ZINC000000686467 220452682 /nfs/dbraw/zinc/45/26/82/220452682.db2.gz ZJVJDJQJGNSSGN-VOTSOKGWSA-N 0 0 382.201 4.255 50 10 GICARN Cc1cc(C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c(C)o1 ZINC000002794842 136193424 /nfs/dbraw/zinc/19/34/24/136193424.db2.gz QBRCVSBUGOSVNS-UHFFFAOYSA-N 0 0 390.483 4.438 50 10 GICARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)S2)c1 ZINC000022033587 136203446 /nfs/dbraw/zinc/20/34/46/136203446.db2.gz GGECGGQMZFDXDU-ZHZULCJRSA-N 0 0 393.512 4.222 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-n2nncc2C(C)(C)C)cc1 ZINC000033870536 528150055 /nfs/dbraw/zinc/15/00/55/528150055.db2.gz LIGNWVDSHIKWLP-ZHZULCJRSA-N 0 0 385.471 4.371 50 10 GICARN Oc1c(CN2CCN(c3ncccn3)CC2)cc(Cl)cc1C1CCCCC1 ZINC000048289561 570228264 /nfs/dbraw/zinc/22/82/64/570228264.db2.gz BTSBKZVUWATIKZ-UHFFFAOYSA-N 0 0 386.927 4.206 50 10 GICARN CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC ZINC000000997378 570234448 /nfs/dbraw/zinc/23/44/48/570234448.db2.gz OZSIFEISMYZSCB-PDGQHHTCSA-N 0 0 378.428 4.125 50 10 GICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1F ZINC000001115225 570243154 /nfs/dbraw/zinc/24/31/54/570243154.db2.gz ASWUNVRRZQPQFS-MKMNVTDBSA-N 0 0 395.253 4.320 50 10 GICARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O ZINC000001202567 570257645 /nfs/dbraw/zinc/25/76/45/570257645.db2.gz OALGZIWSNBLGKC-MNPLYOLFSA-N 0 0 394.521 4.488 50 10 GICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000001207799 570258130 /nfs/dbraw/zinc/25/81/30/570258130.db2.gz SRFIBVCXYDJMPB-RIYZIHGNSA-N 0 0 377.263 4.181 50 10 GICARN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1Cc1ccco1 ZINC000001212755 570258553 /nfs/dbraw/zinc/25/85/53/570258553.db2.gz XMPYZZHCRSHSDR-MDWZMJQESA-N 0 0 380.288 4.444 50 10 GICARN CCN(CC)c1ccc([C@@H]2N3CCC[C@H]3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000085988057 570264633 /nfs/dbraw/zinc/26/46/33/570264633.db2.gz QJZIDDLEPAYBDY-FCHUYYIVSA-N 0 0 379.504 4.051 50 10 GICARN Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000020507195 570264737 /nfs/dbraw/zinc/26/47/37/570264737.db2.gz ALHGGSZZLWYIKB-KBPBESRZSA-N 0 0 378.875 4.179 50 10 GICARN O=C1/C(=C/c2ccc(Br)s2)SC(=S)N1c1cccnc1 ZINC000021274523 570289606 /nfs/dbraw/zinc/28/96/06/570289606.db2.gz DQFNISGFNLXGEX-POHAHGRESA-N 0 0 383.317 4.311 50 10 GICARN Cc1ccc(-n2nnnc2C=CNc2ccccc2C(=O)c2ccccc2)cc1 ZINC000102531703 570289593 /nfs/dbraw/zinc/28/95/93/570289593.db2.gz ZDSJJIOZHWQLEZ-NXVVXOECSA-N 0 0 381.439 4.285 50 10 GICARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1CCCc1ccccc1 ZINC000002812989 570304439 /nfs/dbraw/zinc/30/44/39/570304439.db2.gz YOEPQENVQFNQQW-LGMDPLHJSA-N 0 0 384.482 4.429 50 10 GICARN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC)C3=O)c2C)c1 ZINC000023382743 570359869 /nfs/dbraw/zinc/35/98/69/570359869.db2.gz ZPNXGOHIOSMEPM-LDADJPATSA-N 0 0 398.484 4.327 50 10 GICARN COc1cccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)c1 ZINC000001834463 570436907 /nfs/dbraw/zinc/43/69/07/570436907.db2.gz INZAMVGPHVTDJD-YVLHZVERSA-N 0 0 387.482 4.118 50 10 GICARN CCN(CC)c1ccc(/C=C2/N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1 ZINC000003205355 570596516 /nfs/dbraw/zinc/59/65/16/570596516.db2.gz WHFIXVXKMWPXMV-QGOAFFKASA-N 0 0 386.398 4.479 50 10 GICARN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000012371416 570647698 /nfs/dbraw/zinc/64/76/98/570647698.db2.gz ABMSBMIEMBTDEY-GDNBJRDFSA-N 0 0 378.475 4.137 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000012625390 570691448 /nfs/dbraw/zinc/69/14/48/570691448.db2.gz ONBKANRXCTXCLM-YBEGLDIGSA-N 0 0 375.446 4.249 50 10 GICARN Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1-c1cccc(Cl)c1 ZINC000013069442 570745183 /nfs/dbraw/zinc/74/51/83/570745183.db2.gz VHKVUFFAEFDIDE-UHFFFAOYSA-N 0 0 391.862 4.284 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(COc3ccc(OC)cc3)o2)SC1=S ZINC000001015954 570746702 /nfs/dbraw/zinc/74/67/02/570746702.db2.gz RMWZYAAVOSSCFZ-YBEGLDIGSA-N 0 0 375.471 4.088 50 10 GICARN Cc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(C)C1=O ZINC000013897456 570799877 /nfs/dbraw/zinc/79/98/77/570799877.db2.gz SQMYABJNTFSLFB-AQTBWJFISA-N 0 0 385.510 4.284 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OC ZINC000013943628 570807529 /nfs/dbraw/zinc/80/75/29/570807529.db2.gz UDULDGSGCQMUME-ATVHPVEESA-N 0 0 383.831 4.226 50 10 GICARN COC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1Cl ZINC000101112819 570814094 /nfs/dbraw/zinc/81/40/94/570814094.db2.gz AXYJJTWNZMMXTO-WOJGMQOQSA-N 0 0 397.862 4.462 50 10 GICARN Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)no1 ZINC000012530809 570833675 /nfs/dbraw/zinc/83/36/75/570833675.db2.gz PTVRZMYIHWAODB-UHFFFAOYSA-N 0 0 394.456 4.219 50 10 GICARN Cc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccc1 ZINC000003249854 570841591 /nfs/dbraw/zinc/84/15/91/570841591.db2.gz AOMNSBAKKPRJOM-QGZVFWFLSA-N 0 0 376.456 4.128 50 10 GICARN Cc1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)c1 ZINC000044169801 570867897 /nfs/dbraw/zinc/86/78/97/570867897.db2.gz OJFJSYDQMGHLDA-UHFFFAOYSA-N 0 0 396.512 4.020 50 10 GICARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC ZINC000015009725 570871317 /nfs/dbraw/zinc/87/13/17/570871317.db2.gz BJOVCHVKLQSUIO-LDADJPATSA-N 0 0 385.510 4.495 50 10 GICARN O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccc(F)cc1 ZINC000001267975 570951362 /nfs/dbraw/zinc/95/13/62/570951362.db2.gz OLWZPHZONPZLNG-AQHRCUNFSA-N 0 0 398.484 4.222 50 10 GICARN O=[N+]([O-])c1ccccc1-c1ccc(C(=S)N2CCN(c3ccccc3)CC2)o1 ZINC000001303080 570956921 /nfs/dbraw/zinc/95/69/21/570956921.db2.gz REQKHWLDPAUFFP-UHFFFAOYSA-N 0 0 393.468 4.353 50 10 GICARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCCc3cc(OC(F)F)ccc32)c1C ZINC000084005457 570990535 /nfs/dbraw/zinc/99/05/35/570990535.db2.gz CTDPCEGQUODMAW-ZDUSSCGKSA-N 0 0 390.430 4.460 50 10 GICARN C[C@@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)c1cnn(C)c1 ZINC000170654490 571000129 /nfs/dbraw/zinc/00/01/29/571000129.db2.gz SRRNEVOMLLXHFZ-MWTRTKDXSA-N 0 0 385.467 4.288 50 10 GICARN C[C@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)c1cnn(C)c1 ZINC000170654488 571000198 /nfs/dbraw/zinc/00/01/98/571000198.db2.gz SRRNEVOMLLXHFZ-HJPURHCSSA-N 0 0 385.467 4.288 50 10 GICARN CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000002248410 817381230 /nfs/dbraw/zinc/38/12/30/817381230.db2.gz HMVLMQXNPOMKEP-SSZFMOIBSA-N 0 0 377.531 4.320 50 10 GICARN CCCCN1CCc2cc(C=C3C(=O)NC(=S)N(CCCC)C3=O)ccc21 ZINC000002373523 817386010 /nfs/dbraw/zinc/38/60/10/817386010.db2.gz ZTOWDRLYCRYRLD-SAPNQHFASA-N 0 0 385.533 4.116 50 10 GICARN Cc1ccc(N2CCN(c3ccc(C)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000003634734 817493709 /nfs/dbraw/zinc/49/37/09/817493709.db2.gz PHQMGBQQKRZQHC-UHFFFAOYSA-N 0 0 382.463 4.406 50 10 GICARN COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)ccc1O ZINC000004040406 817498954 /nfs/dbraw/zinc/49/89/54/817498954.db2.gz NQVUUYKCIYGUES-FDDCHVKYSA-N 0 0 394.471 4.230 50 10 GICARN COc1cc(Br)cc(CN2CCCC[C@@H]2c2cccnc2)c1O ZINC000004982716 817544211 /nfs/dbraw/zinc/54/42/11/817544211.db2.gz UYUPNFCBGNOAPH-MRXNPFEDSA-N 0 0 377.282 4.286 50 10 GICARN Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)c1 ZINC000007779151 817914072 /nfs/dbraw/zinc/91/40/72/817914072.db2.gz XQKQPMZUMATFJB-WOJGMQOQSA-N 0 0 383.494 4.480 50 10 GICARN CN(C)c1ccc(-c2nc(-c3cc4c5c(c3)CCCN5C(=O)C4)cs2)cc1 ZINC000008042140 817988573 /nfs/dbraw/zinc/98/85/73/817988573.db2.gz FKYZFNBRVCPULR-UHFFFAOYSA-N 0 0 375.497 4.378 50 10 GICARN CN(Cc1nc(Cc2ccccc2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000040153489 821151073 /nfs/dbraw/zinc/15/10/73/821151073.db2.gz RGOWEZYULZQTFL-UHFFFAOYSA-N 0 0 376.504 4.283 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000041108120 821171871 /nfs/dbraw/zinc/17/18/71/821171871.db2.gz XSKQNLJUGNKUHT-KUOUREISSA-N 0 0 391.500 4.350 50 10 GICARN O=[N+]([O-])c1cc(C2Nc3cccc4cccc(c43)N2)ccc1N1CCOCC1 ZINC000096191660 209134628 /nfs/dbraw/zinc/13/46/28/209134628.db2.gz FRDJVXUAJBQEBD-UHFFFAOYSA-N 0 0 376.416 4.121 50 10 GICARN O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1cccc([N+](=O)[O-])c1 ZINC000033319789 206256312 /nfs/dbraw/zinc/25/63/12/206256312.db2.gz PWQGZAKTLNCZMS-NVNXTCNLSA-N 0 0 389.433 4.005 50 10 GICARN CC(=O)N1CCN(C(=S)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000000952331 206336804 /nfs/dbraw/zinc/33/68/04/206336804.db2.gz NLCPLHACEFAZNM-UHFFFAOYSA-N 0 0 383.300 4.093 50 10 GICARN O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc(Cl)cc1C(F)(F)F ZINC000001000408 206341066 /nfs/dbraw/zinc/34/10/66/206341066.db2.gz OELYZWHKDKQBFU-UHFFFAOYSA-N 0 0 389.757 4.415 50 10 GICARN Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(c2ccccc2)C1=O ZINC000001134816 206357304 /nfs/dbraw/zinc/35/73/04/206357304.db2.gz LIOZYNNHCUMXMH-XMHGGMMESA-N 0 0 380.469 4.073 50 10 GICARN COc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)c1 ZINC000001301075 206371752 /nfs/dbraw/zinc/37/17/52/206371752.db2.gz MLCHIKXBTIANEU-YBEGLDIGSA-N 0 0 387.482 4.118 50 10 GICARN Oc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 ZINC000010215461 206374740 /nfs/dbraw/zinc/37/47/40/206374740.db2.gz LJOPNTQDYQLILI-GHTZIAJQSA-N 0 0 393.830 4.389 50 10 GICARN CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215870 206374755 /nfs/dbraw/zinc/37/47/55/206374755.db2.gz DSUXZMFAJHEAQV-AUSIDOKSSA-N 0 0 387.439 4.428 50 10 GICARN Cc1ccc(N2C(=O)C(=Cc3ccco3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001424140 206380727 /nfs/dbraw/zinc/38/07/27/206380727.db2.gz TVVCKXDLHSZJPI-UHFFFAOYSA-N 0 0 386.407 4.480 50 10 GICARN Cc1nn(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c(C)c1Br ZINC000001423477 206380955 /nfs/dbraw/zinc/38/09/55/206380955.db2.gz UJPCMEZNWAKJKK-UHFFFAOYSA-N 0 0 398.264 4.151 50 10 GICARN O=S1(=O)N=C(N(Cc2ccccc2O)c2ccc(Cl)cc2)c2ccccc21 ZINC000001142428 206358897 /nfs/dbraw/zinc/35/88/97/206358897.db2.gz CZVJDJNGXBOBKM-UHFFFAOYSA-N 0 0 398.871 4.201 50 10 GICARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@H]1c1ccc(N(C)C)cc1 ZINC000001189607 206364903 /nfs/dbraw/zinc/36/49/03/206364903.db2.gz HKLWBQXDUWLMNH-AUSIDOKSSA-N 0 0 377.488 4.021 50 10 GICARN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1 ZINC000001217363 206368232 /nfs/dbraw/zinc/36/82/32/206368232.db2.gz AWAMZZVDPOTHNZ-QINSGFPZSA-N 0 0 388.539 4.368 50 10 GICARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)cc1 ZINC000001217462 206368519 /nfs/dbraw/zinc/36/85/19/206368519.db2.gz DYZPVAKLKCOZQS-UVTDQMKNSA-N 0 0 392.502 4.117 50 10 GICARN O=C1NC(=S)S/C1=C/c1cn(CCOc2ccccc2)c2ccccc12 ZINC000001251095 206369931 /nfs/dbraw/zinc/36/99/31/206369931.db2.gz QFAQZZLXKPSCKT-LDADJPATSA-N 0 0 380.494 4.209 50 10 GICARN O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1Cl ZINC000001268790 206370272 /nfs/dbraw/zinc/37/02/72/206370272.db2.gz IGYIYNGNIZBUGG-JYRVWZFOSA-N 0 0 394.930 4.241 50 10 GICARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(F)cc1 ZINC000001262314 206370961 /nfs/dbraw/zinc/37/09/61/206370961.db2.gz YIVHITCIOIPLOT-RVDMUPIBSA-N 0 0 390.461 4.039 50 10 GICARN C[C@H]1Cc2cc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)ccc2O1 ZINC000002241715 206404466 /nfs/dbraw/zinc/40/44/66/206404466.db2.gz VPEHQDFEVBNRNX-ITRAFESCSA-N 0 0 381.522 4.454 50 10 GICARN CCN(CC)C(=O)Cn1cc(/C=C2\c3ccccc3N(C)C2=O)c2ccccc21 ZINC000003648308 206492184 /nfs/dbraw/zinc/49/21/84/206492184.db2.gz DJONARMHMSPYGV-XSFVSMFZSA-N 0 0 387.483 4.027 50 10 GICARN CCCCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000003879093 206495154 /nfs/dbraw/zinc/49/51/54/206495154.db2.gz FOTIZOCKJLIVLE-IBGZPJMESA-N 0 0 389.565 4.059 50 10 GICARN O=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1Cl ZINC000004514361 206525568 /nfs/dbraw/zinc/52/55/68/206525568.db2.gz YFXRZDLTLYEHBE-CPNJWEJPSA-N 0 0 381.863 4.033 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)SC1=S ZINC000005201212 206599303 /nfs/dbraw/zinc/59/93/03/206599303.db2.gz IVAMPNUHHHYJPZ-LFIBNONCSA-N 0 0 387.457 4.266 50 10 GICARN COc1ccc(C2=C/C(=C3\c4ccccc4-c4ncccc43)C(=O)O2)c(OC)c1 ZINC000013218240 206972463 /nfs/dbraw/zinc/97/24/63/206972463.db2.gz YWNHTWKUYZAAKJ-QOCHGBHMSA-N 0 0 383.403 4.479 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000013895487 207004523 /nfs/dbraw/zinc/00/45/23/207004523.db2.gz KPVBFKMOHYGSGJ-JMCWYTMQSA-N 0 0 391.500 4.369 50 10 GICARN COc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc(Br)c1O ZINC000015018334 207041209 /nfs/dbraw/zinc/04/12/09/207041209.db2.gz BMSBGXZLQDVEME-ZROIWOOFSA-N 0 0 390.258 4.224 50 10 GICARN COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2C)c1 ZINC000016225349 207074145 /nfs/dbraw/zinc/07/41/45/207074145.db2.gz QNSSQENVCUDHRS-BKUYFWCQSA-N 0 0 387.439 4.200 50 10 GICARN O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1cccc(Cl)c1 ZINC000016669662 207076534 /nfs/dbraw/zinc/07/65/34/207076534.db2.gz ZRHJVXTZVLWSAU-BOAPOFAJSA-N 0 0 390.873 4.035 50 10 GICARN CCN(CC)c1ccc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000024187516 207289035 /nfs/dbraw/zinc/28/90/35/207289035.db2.gz VQUCNMUYSCQBJP-UHFFFAOYSA-N 0 0 388.895 4.230 50 10 GICARN COc1ccc(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)cc1Cl ZINC000025062528 207300241 /nfs/dbraw/zinc/30/02/41/207300241.db2.gz VTEMEIOFKAFDNU-UHFFFAOYSA-N 0 0 383.807 4.234 50 10 GICARN COc1ccc(N2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000025049613 207301221 /nfs/dbraw/zinc/30/12/21/207301221.db2.gz GFQYWUIHIRPMSX-UHFFFAOYSA-N 0 0 383.879 4.326 50 10 GICARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000061582672 207787906 /nfs/dbraw/zinc/78/79/06/207787906.db2.gz VUTBFPSMOMYISB-AWEZNQCLSA-N 0 0 399.844 4.114 50 10 GICARN CCCC(=O)Nc1ccc(CNC(=O)N(CCC)Cc2ccccc2O)cc1 ZINC000066699837 207881004 /nfs/dbraw/zinc/88/10/04/207881004.db2.gz KONIIIIXXXNAEZ-UHFFFAOYSA-N 0 0 383.492 4.253 50 10 GICARN O=C1N=C(N2CCCCC2)S/C1=C\c1c(Cl)cccc1N1CCCC1 ZINC000098053255 208368571 /nfs/dbraw/zinc/36/85/71/208368571.db2.gz IVIBWPBBHZKYLG-LGMDPLHJSA-N 0 0 375.925 4.396 50 10 GICARN CCOC(=O)c1c(C)c(C)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100508127 208377094 /nfs/dbraw/zinc/37/70/94/208377094.db2.gz ZEYJXAGLQQJIFN-LFIBNONCSA-N 0 0 383.473 4.260 50 10 GICARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000100807941 208381220 /nfs/dbraw/zinc/38/12/20/208381220.db2.gz CSCFYQXMBQESCR-MHWRWJLKSA-N 0 0 386.205 4.163 50 10 GICARN CCOC1=NN(c2ccccc2)C(=O)C1=CNCc1ccc(Cl)cc1Cl ZINC000100249976 208374662 /nfs/dbraw/zinc/37/46/62/208374662.db2.gz OKUYKGPYFAXZKB-VBKFSLOCSA-N 0 0 390.270 4.364 50 10 GICARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O ZINC000001786565 208499371 /nfs/dbraw/zinc/49/93/71/208499371.db2.gz FLQSQFXMIYNSSH-GZTJUZNOSA-N 0 0 387.482 4.205 50 10 GICARN COC(=O)CCCCCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S ZINC000004860681 208546635 /nfs/dbraw/zinc/54/66/35/208546635.db2.gz OXUIQLRFLIUHTR-SDNWHVSQSA-N 0 0 383.922 4.275 50 10 GICARN Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccccc1F ZINC000032906414 208993650 /nfs/dbraw/zinc/99/36/50/208993650.db2.gz FEGYRLNNQVOBOS-UHFFFAOYSA-N 0 0 379.435 4.187 50 10 GICARN O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccc([N+](=O)[O-])cc1O ZINC000009579649 221086692 /nfs/dbraw/zinc/08/66/92/221086692.db2.gz YQVPNVUQVQYQLT-CQSZACIVSA-N 0 0 399.453 4.415 50 10 GICARN C[C@H]1CC(=O)N[C@]2(/C=C/c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C ZINC000000995518 570234418 /nfs/dbraw/zinc/23/44/18/570234418.db2.gz QDLUIPKHEOLEDQ-OJFFMAKCSA-N 0 0 375.516 4.168 50 10 GICARN Cc1cc(C(=O)NCc2ccc(NC(N)=O)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000048361892 570244475 /nfs/dbraw/zinc/24/44/75/570244475.db2.gz HHLOWVDUEBFFDM-UHFFFAOYSA-N 0 0 396.878 4.168 50 10 GICARN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000001809366 570268940 /nfs/dbraw/zinc/26/89/40/570268940.db2.gz JYWSCHSDAPMKDG-PTNGSMBKSA-N 0 0 377.531 4.139 50 10 GICARN Cc1ccccc1NC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@H](C)C2)c1[O-] ZINC000012890005 570285929 /nfs/dbraw/zinc/28/59/29/570285929.db2.gz RWTWZGHGISOKQM-KRWDZBQOSA-N 0 0 390.483 4.327 50 10 GICARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)NC(C)(C)C)C1=O ZINC000004837231 570311384 /nfs/dbraw/zinc/31/13/84/570311384.db2.gz ZCVCAPNMZSWPRL-QLKCLSONSA-N 0 0 388.558 4.139 50 10 GICARN CCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S ZINC000002993555 570324337 /nfs/dbraw/zinc/32/43/37/570324337.db2.gz HNSVKKZJAITBMR-JXAWBTAJSA-N 0 0 385.510 4.366 50 10 GICARN COc1ccccc1N[C@H]1SC(=O)N(c2ccc(Br)cc2)C1=O ZINC000003145319 570330835 /nfs/dbraw/zinc/33/08/35/570330835.db2.gz YJWGQLZFHOYHMK-AWEZNQCLSA-N 0 0 393.262 4.096 50 10 GICARN COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccc(O)cc2)cc1 ZINC000003470427 570347213 /nfs/dbraw/zinc/34/72/13/570347213.db2.gz RVNHIXHYZYXZOY-UHFFFAOYSA-N 0 0 376.456 4.435 50 10 GICARN O=C1N/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000004145379 570359814 /nfs/dbraw/zinc/35/98/14/570359814.db2.gz WVCOGLKEXBVACT-PDGQHHTCSA-N 0 0 399.853 4.172 50 10 GICARN CCCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O ZINC000004903379 570360805 /nfs/dbraw/zinc/36/08/05/570360805.db2.gz QFCCYBSDVVCERY-NRFANRHFSA-N 0 0 377.488 4.402 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=N)S1 ZINC000004908994 570361690 /nfs/dbraw/zinc/36/16/90/570361690.db2.gz RHZSUTIPCMMNRJ-NIIVYLOLSA-N 0 0 383.864 4.160 50 10 GICARN O=c1oc2c(ccc([O-])c2C[NH+]2CCCCCC2)cc1-c1nc2ccccc2[nH]1 ZINC000004247248 570364179 /nfs/dbraw/zinc/36/41/79/570364179.db2.gz NLJQBQOBRFPOAO-UHFFFAOYSA-N 0 0 389.455 4.418 50 10 GICARN Cc1ccc(Cn2ncc3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc32)cc1 ZINC000035560115 570396775 /nfs/dbraw/zinc/39/67/75/570396775.db2.gz DYRWZDKKAUFMPQ-UHFFFAOYSA-N 0 0 398.510 4.389 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S ZINC000005025795 570399508 /nfs/dbraw/zinc/39/95/08/570399508.db2.gz PSIJWWSZTHIOFD-DHDCSXOGSA-N 0 0 390.442 4.085 50 10 GICARN Cc1nnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)s1 ZINC000004841232 570410700 /nfs/dbraw/zinc/41/07/00/570410700.db2.gz NMQAIFXDPKGAJD-UHFFFAOYSA-N 0 0 385.942 4.046 50 10 GICARN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)N2CCc3ccccc32)cc1 ZINC000005098685 570415702 /nfs/dbraw/zinc/41/57/02/570415702.db2.gz DSQSWYFWCBYNIY-DEOSSOPVSA-N 0 0 385.511 4.286 50 10 aggregator GICARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005094264 570428862 /nfs/dbraw/zinc/42/88/62/570428862.db2.gz CLIPLXITQIRMQX-HXUWFJFHSA-N 0 0 385.419 4.258 50 10 GICARN Cc1ccc(C2=NC(=O)/C(=C/c3cc(O)c(O)c(Br)c3)S2)cc1 ZINC000005102135 570429154 /nfs/dbraw/zinc/42/91/54/570429154.db2.gz MUQKQSJCEVWZCU-ZSOIEALJSA-N 0 0 390.258 4.230 50 10 GICARN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCCC1 ZINC000005555147 570445883 /nfs/dbraw/zinc/44/58/83/570445883.db2.gz GVIGRHICOQRZSX-NTCAYCPXSA-N 0 0 394.587 4.178 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)SC2=S)cc1 ZINC000005170487 570491192 /nfs/dbraw/zinc/49/11/92/570491192.db2.gz YBIDUQFDZRPZHO-LICLKQGHSA-N 0 0 387.482 4.118 50 10 GICARN CCCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000002677970 570503345 /nfs/dbraw/zinc/50/33/45/570503345.db2.gz YLGIAGJWGFCVSN-KIHYJURLSA-N 0 0 388.533 4.335 50 10 GICARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000001216465 570535776 /nfs/dbraw/zinc/53/57/76/570535776.db2.gz PPMWCCMDBSXZCG-VBHSOAQHSA-N 0 0 395.311 4.467 50 10 GICARN Cc1[nH]c2ccc(C)cc2c1/C=C1/C(=N)N2N=C(c3ccco3)SC2=NC1=O ZINC000020118751 570536811 /nfs/dbraw/zinc/53/68/11/570536811.db2.gz ZNUQURQFCKWHNW-PBGDOYKQSA-N 0 0 389.440 4.045 50 10 GICARN Cc1cc(C(=O)CSc2nc(N)n[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000006790365 570596050 /nfs/dbraw/zinc/59/60/50/570596050.db2.gz WWBNIXRRIMJIAB-UHFFFAOYSA-N 0 0 396.303 4.076 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)COc3nncc4ccccc43)c2C)cc1 ZINC000006832000 570635572 /nfs/dbraw/zinc/63/55/72/570635572.db2.gz GKWRMUUJPHPSHO-UHFFFAOYSA-N 0 0 387.439 4.308 50 10 GICARN O=C1NC(=S)S/C1=C\c1cn(CCOc2ccccc2F)c2ccccc12 ZINC000012360213 570645774 /nfs/dbraw/zinc/64/57/74/570645774.db2.gz YVGUMJSMPSTYOR-WQRHYEAKSA-N 0 0 398.484 4.348 50 10 GICARN O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012604668 570690114 /nfs/dbraw/zinc/69/01/14/570690114.db2.gz ZQYBBLCXKLDTNY-YBEGLDIGSA-N 0 0 381.457 4.167 50 10 GICARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000059418088 570738347 /nfs/dbraw/zinc/73/83/47/570738347.db2.gz QJEJGFIEGHSUQS-LICLKQGHSA-N 0 0 389.473 4.244 50 10 GICARN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000013645395 570766079 /nfs/dbraw/zinc/76/60/79/570766079.db2.gz DIXVCDMBFHSQHQ-PDGQHHTCSA-N 0 0 385.510 4.495 50 10 GICARN O=C1/C(=C/c2ccnc3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000013693157 570776429 /nfs/dbraw/zinc/77/64/29/570776429.db2.gz ICQBVPCIJJDNEH-NVMNQCDNSA-N 0 0 392.461 4.369 50 10 GICARN O=C1/C(=C\c2ccc3nccnc3c2)SC(=S)N1CCc1ccccc1 ZINC000013724234 570781253 /nfs/dbraw/zinc/78/12/53/570781253.db2.gz OUHPCRKDHHLZGG-QGOAFFKASA-N 0 0 377.494 4.074 50 10 GICARN CSC1=NC(C)(C)C[C@@]2(C[C@H](c3cccs3)c3ccc(O)c(O)c3O2)N1 ZINC000005839948 570796707 /nfs/dbraw/zinc/79/67/07/570796707.db2.gz MBCPPOKJQJROEC-BUXKBTBVSA-N 0 0 390.530 4.261 50 10 GICARN Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000007226247 570817921 /nfs/dbraw/zinc/81/79/21/570817921.db2.gz QGJPQFLFXCPSPR-UHFFFAOYSA-N 0 0 391.496 4.365 50 10 GICARN Cc1cc(C(=O)CSc2ncccn2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000005701735 570827329 /nfs/dbraw/zinc/82/73/29/570827329.db2.gz JUHSZRQYVNUDBV-UHFFFAOYSA-N 0 0 389.427 4.461 50 10 GICARN CN1c2ccccc2/C(=C\c2cn(CC(=O)N3CCCCC3)c3ccccc23)C1=O ZINC000004516964 570833272 /nfs/dbraw/zinc/83/32/72/570833272.db2.gz RVTGQWNIFIKVSL-RCCKNPSSSA-N 0 0 399.494 4.171 50 10 GICARN Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000016790753 570910503 /nfs/dbraw/zinc/91/05/03/570910503.db2.gz NGAOFXYTRWJZJP-GDNBJRDFSA-N 0 0 388.901 4.195 50 10 GICARN CCN1C(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C(=O)NC1=S ZINC000017015957 570936998 /nfs/dbraw/zinc/93/69/98/570936998.db2.gz STNLLAJXIDBUTL-FOWTUZBSSA-N 0 0 375.453 4.322 50 10 GICARN Cn1c(-c2ccccc2)cnc1SC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000012771546 571025598 /nfs/dbraw/zinc/02/55/98/571025598.db2.gz UHPXRVVENISKNH-HXUWFJFHSA-N 0 0 379.529 4.080 50 10 GICARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1 ZINC000002994320 817410625 /nfs/dbraw/zinc/41/06/25/817410625.db2.gz LBLVDHSUBILSEQ-LDADJPATSA-N 0 0 385.510 4.495 50 10 GICARN Cc1sc2ncnc(SCc3cc(=O)oc4cc(O)c(O)cc34)c2c1C ZINC000003279127 817431332 /nfs/dbraw/zinc/43/13/32/817431332.db2.gz BXBNYHFVIQGECU-UHFFFAOYSA-N 0 0 386.454 4.118 50 10 GICARN COc1ccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000008178427 818012886 /nfs/dbraw/zinc/01/28/86/818012886.db2.gz GUGWSVLIWYFJBH-UHFFFAOYSA-N 0 0 397.482 4.027 50 10 GICARN COc1ccc(N2CCN(Cc3csc(-c4cccc(OC)c4)n3)CC2)cc1 ZINC000057548560 823308761 /nfs/dbraw/zinc/30/87/61/823308761.db2.gz IXVDGGDIQWZAKB-UHFFFAOYSA-N 0 0 395.528 4.150 50 10 GICARN Oc1ccc(Cl)cc1CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000012100090 818141995 /nfs/dbraw/zinc/14/19/95/818141995.db2.gz GZPJXFUSNVXBDC-UHFFFAOYSA-N 0 0 382.847 4.208 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S ZINC000001117768 209115440 /nfs/dbraw/zinc/11/54/40/209115440.db2.gz BTANFTBSMPIFPW-ATVHPVEESA-N 0 0 383.494 4.435 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2cc(-c3cc(OC)ccc3OC)c(=O)oc21 ZINC000004085305 206293574 /nfs/dbraw/zinc/29/35/74/206293574.db2.gz COEPRKNZIXSUTE-UHFFFAOYSA-N 0 0 383.444 4.025 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc21 ZINC000004353835 206294059 /nfs/dbraw/zinc/29/40/59/206294059.db2.gz JAFUGWLCHCBHHR-UHFFFAOYSA-N 0 0 397.471 4.333 50 10 GICARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[NH+]3CCCC3)c2=O)cc1OC ZINC000020411321 206297080 /nfs/dbraw/zinc/29/70/80/206297080.db2.gz YXWMQHQHHDGNHI-UHFFFAOYSA-N 0 0 395.455 4.087 50 10 GICARN O=C(NC1=NC(=O)/C(=C/c2ccccc2)S1)c1ccc(Cl)c(Cl)c1 ZINC000009044309 206306645 /nfs/dbraw/zinc/30/66/45/206306645.db2.gz VFQBPNPRYTYELO-ZSOIEALJSA-N 0 0 377.252 4.394 50 10 GICARN COc1ccc([C@H](NC(=O)CC(C)C)c2ccc3cccnc3c2O)cc1OC ZINC000000801020 206322825 /nfs/dbraw/zinc/32/28/25/206322825.db2.gz PHCZZCIRGOHMGT-NRFANRHFSA-N 0 0 394.471 4.209 50 10 GICARN Cc1cccc(N2C(=O)/C(=C3\c4ccccc4N(C)C3=O)SC2=S)c1C ZINC000000977984 206338530 /nfs/dbraw/zinc/33/85/30/206338530.db2.gz MOUWLPPMBUVJSS-MSUUIHNZSA-N 0 0 380.494 4.056 50 10 GICARN Cc1ccc(N2C(=O)/C(=C3\c4ccccc4N(C)C3=O)SC2=S)cc1C ZINC000001002950 206341222 /nfs/dbraw/zinc/34/12/22/206341222.db2.gz PFQQHJHOUPUYIQ-MSUUIHNZSA-N 0 0 380.494 4.056 50 10 GICARN CN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000001082399 206351304 /nfs/dbraw/zinc/35/13/04/206351304.db2.gz UFELWLRXGAQDGI-PFONDFGASA-N 0 0 386.885 4.092 50 10 GICARN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1Cc1cccnc1 ZINC000001130745 206357243 /nfs/dbraw/zinc/35/72/43/206357243.db2.gz SBOYZYZRRJMUMH-PDGQHHTCSA-N 0 0 381.526 4.083 50 10 GICARN O=C(Cc1ccc(Cl)s1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000010060933 206374416 /nfs/dbraw/zinc/37/44/16/206374416.db2.gz LNOBJXBEHLYQSE-UHFFFAOYSA-N 0 0 381.840 4.358 50 10 GICARN O=C1N=C(NOCc2ccccc2)SC1=Cc1ccccc1C(F)(F)F ZINC000001395367 206378614 /nfs/dbraw/zinc/37/86/14/206378614.db2.gz OLMUDCIHIRDCAM-GDNBJRDFSA-N 0 0 378.375 4.397 50 10 GICARN COc1ccc(CN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000001178206 206363786 /nfs/dbraw/zinc/36/37/86/206363786.db2.gz KXBPATANFRTVFZ-YBEGLDIGSA-N 0 0 386.454 4.005 50 10 GICARN COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)c1 ZINC000001202879 206367097 /nfs/dbraw/zinc/36/70/97/206367097.db2.gz CJGPERAIPQCBMW-YVLHZVERSA-N 0 0 387.482 4.118 50 10 GICARN O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccc(F)c1 ZINC000001263857 206370605 /nfs/dbraw/zinc/37/06/05/206370605.db2.gz HAAPMFBRWYGDNO-BAGULLTOSA-N 0 0 398.484 4.222 50 10 GICARN Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccccc1 ZINC000003443177 206480272 /nfs/dbraw/zinc/48/02/72/206480272.db2.gz GNEPKZPDYRWYOM-UHFFFAOYSA-N 0 0 394.422 4.216 50 10 GICARN O=C(c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 ZINC000004420166 206520500 /nfs/dbraw/zinc/52/05/00/206520500.db2.gz QJHCSIWSGKFWKM-UHFFFAOYSA-N 0 0 377.356 4.346 50 10 GICARN CSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(C)c(C)c3)C(=N)N12 ZINC000004909241 206569926 /nfs/dbraw/zinc/56/99/26/206569926.db2.gz VYEQJCQFFXPTNS-YERBQUFUSA-N 0 0 395.513 4.034 50 10 GICARN Cc1cc(C(=O)COC(=O)[C@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000007180847 206705706 /nfs/dbraw/zinc/70/57/06/206705706.db2.gz LIXWQKCPHAZTDF-GOSISDBHSA-N 0 0 395.377 4.018 50 10 GICARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CC2 ZINC000008779574 206764934 /nfs/dbraw/zinc/76/49/34/206764934.db2.gz ZRONHLPEFZNCEX-UHFFFAOYSA-N 0 0 390.483 4.310 50 10 GICARN COc1ccc(-n2c(C)cc(CNC(=O)NCCc3ccccc3)c2C)cc1 ZINC000009228670 206779124 /nfs/dbraw/zinc/77/91/24/206779124.db2.gz FZLOQLRHNWDRHL-UHFFFAOYSA-N 0 0 377.488 4.145 50 10 GICARN CC(=O)c1cccc(N2C(=O)C(=Cc3cccc4nccnc34)SC2=S)c1 ZINC000013689862 206991089 /nfs/dbraw/zinc/99/10/89/206991089.db2.gz HQZUZIFYKRTHIY-BOPFTXTBSA-N 0 0 391.477 4.238 50 10 GICARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000013940612 207004894 /nfs/dbraw/zinc/00/48/94/207004894.db2.gz QDJWOLKXPNJPAH-NTEUORMPSA-N 0 0 377.874 4.460 50 10 GICARN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)oc2c1[C@@H]1N=C(C)S[C@@H]1CC2 ZINC000015730089 207057514 /nfs/dbraw/zinc/05/75/14/207057514.db2.gz GGCWEZFAGBPDDJ-IEBWSBKVSA-N 0 0 383.517 4.105 50 10 GICARN O=C1NC(=S)S/C1=C\c1cccc(OCCOc2ccccc2Cl)c1 ZINC000015800352 207062737 /nfs/dbraw/zinc/06/27/37/207062737.db2.gz QWEUQZVZOOGYFO-WJDWOHSUSA-N 0 0 391.901 4.287 50 10 GICARN CCCCN1C(=O)/C(=C\C=C\c2ccccc2)C(=O)N(Cc2ccco2)C1=O ZINC000017118176 207084757 /nfs/dbraw/zinc/08/47/57/207084757.db2.gz CYDBACUDORBDOG-MMWWNLEXSA-N 0 0 378.428 4.010 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1O ZINC000017373721 207090236 /nfs/dbraw/zinc/09/02/36/207090236.db2.gz SPXAQCRVGKEJGI-BOPFTXTBSA-N 0 0 387.482 4.205 50 10 GICARN CC(C)OC(=O)CCCCCN1C(=O)C(=CNc2ccccc2)SC1=S ZINC000018286594 207098385 /nfs/dbraw/zinc/09/83/85/207098385.db2.gz YLPMSZHNMMZTCY-SSZFMOIBSA-N 0 0 392.546 4.312 50 10 GICARN CCN(CC)c1ccc(/C=C2/SC(=S)N(CN3CCCCC3)C2=O)cc1 ZINC000019335853 207117043 /nfs/dbraw/zinc/11/70/43/207117043.db2.gz ZBHAUOMSPWHVJG-NBVRZTHBSA-N 0 0 389.590 4.177 50 10 GICARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)cc1O ZINC000020070654 207178029 /nfs/dbraw/zinc/17/80/29/207178029.db2.gz XUXHVKOEKKQXNG-WZONZLPQSA-N 0 0 388.423 4.349 50 10 GICARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1Cc1ccccc1 ZINC000020037221 207174336 /nfs/dbraw/zinc/17/43/36/207174336.db2.gz QKZIKYZSLBLLIP-KUOUREISSA-N 0 0 376.485 4.320 50 10 GICARN Cc1ccc(N2C(=O)/C(=C3/c4ccccc4N(C)C3=O)SC2=S)c(C)c1 ZINC000020356988 207190385 /nfs/dbraw/zinc/19/03/85/207190385.db2.gz LFYFCTAFLDGCPD-WUKNDPDISA-N 0 0 380.494 4.056 50 10 GICARN COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000027018660 207322840 /nfs/dbraw/zinc/32/28/40/207322840.db2.gz SZGZAPWWGCZVHL-WJDWOHSUSA-N 0 0 377.462 4.323 50 10 GICARN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000027530354 207327609 /nfs/dbraw/zinc/32/76/09/207327609.db2.gz VGVANWKMUFWGHV-LDADJPATSA-N 0 0 397.525 4.117 50 10 GICARN Cc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccccc2)cc1 ZINC000027548549 207327739 /nfs/dbraw/zinc/32/77/39/207327739.db2.gz FAXWYWHADPIRRU-HAVVHWLPSA-N 0 0 399.494 4.471 50 10 GICARN CN(C)c1ccc(CN(C(=O)COc2ccccc2Cl)c2ccccn2)cc1 ZINC000028287526 207338772 /nfs/dbraw/zinc/33/87/72/207338772.db2.gz UJGBHGFTRKJJGX-UHFFFAOYSA-N 0 0 395.890 4.413 50 10 GICARN O=C(C[C@@H]1OCCc2ccsc21)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000095409200 208178305 /nfs/dbraw/zinc/17/83/05/208178305.db2.gz XFTOQSJIWUSNRF-INIZCTEOSA-N 0 0 390.468 4.100 50 10 GICARN CCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000100398867 208376856 /nfs/dbraw/zinc/37/68/56/208376856.db2.gz SUXDDDFTKQAJDT-JXAWBTAJSA-N 0 0 376.485 4.321 50 10 GICARN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000100163355 208374039 /nfs/dbraw/zinc/37/40/39/208374039.db2.gz ZTQBDPYCHCCTJS-XMHGGMMESA-N 0 0 378.432 4.247 50 10 GICARN CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCC1 ZINC000007124521 208684780 /nfs/dbraw/zinc/68/47/80/208684780.db2.gz RDXQTPBXFWZMAQ-UHFFFAOYSA-N 0 0 394.338 4.047 50 10 GICARN CCOc1ccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000000753763 220456804 /nfs/dbraw/zinc/45/68/04/220456804.db2.gz PZEHIKPTBVYFOH-UHFFFAOYSA-N 0 0 399.446 4.431 50 10 GICARN COc1cc(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)cc(OC)c1O ZINC000097990639 209016717 /nfs/dbraw/zinc/01/67/17/209016717.db2.gz YBTIKHRCTKQQAY-LICLKQGHSA-N 0 0 384.457 4.109 50 10 GICARN CCC(=O)Oc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OC ZINC000016610008 221366764 /nfs/dbraw/zinc/36/67/64/221366764.db2.gz HJUYVYFHUZKMPR-LICLKQGHSA-N 0 0 398.846 4.470 50 10 GICARN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000072303727 136167959 /nfs/dbraw/zinc/16/79/59/136167959.db2.gz RTPLOQDBWPPAKL-UHFFFAOYSA-N 0 0 383.448 4.054 50 10 GICARN Cc1ccc(N2CCN(C3=NC(=O)C(=Cc4ccccc4)S3)CC2)cc1Cl ZINC000000950637 136193118 /nfs/dbraw/zinc/19/31/18/136193118.db2.gz GZBDFNAYVRADFL-UYRXBGFRSA-N 0 0 397.931 4.441 50 10 GICARN COc1ccccc1N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000015343348 537066253 /nfs/dbraw/zinc/06/62/53/537066253.db2.gz AYCJHXHDDZMMJF-UHFFFAOYSA-N 0 0 389.499 4.065 50 10 GICARN O=[N+]([O-])c1ccc([C@@H](Nc2ncccc2O)c2ccc3cccnc3c2O)cc1 ZINC000049564994 570269998 /nfs/dbraw/zinc/26/99/98/570269998.db2.gz XUWBUPJKQGWMNX-GOSISDBHSA-N 0 0 388.383 4.151 50 10 GICARN Cc1cc(C(=O)Nc2cccc(C[S@@](C)=O)c2)c(C)n1-c1cccc(F)c1 ZINC000115482670 570275594 /nfs/dbraw/zinc/27/55/94/570275594.db2.gz RULQWGZMKKQEOD-MHZLTWQESA-N 0 0 384.476 4.364 50 10 GICARN O=C1N=C(Nc2ccccc2O)SC1=Cc1cccc(Br)c1 ZINC000005770726 570341698 /nfs/dbraw/zinc/34/16/98/570341698.db2.gz FMYWLXBRDMCQSQ-ZROIWOOFSA-N 0 0 375.247 4.237 50 10 GICARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000004150598 570360206 /nfs/dbraw/zinc/36/02/06/570360206.db2.gz OMIBXRVTWKCBGM-UGWYOXCXSA-N 0 0 380.448 4.400 50 10 GICARN COCCOc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OC ZINC000024937714 570364473 /nfs/dbraw/zinc/36/44/73/570364473.db2.gz VWPYCLQEIAZEIX-UHFFFAOYSA-N 0 0 394.471 4.380 50 10 GICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)C([N+](=O)[O-])[C@@H]2c1ccccc1 ZINC000004322600 570367792 /nfs/dbraw/zinc/36/77/92/570367792.db2.gz KTUUHORZVGWSQT-ACRUOGEOSA-N 0 0 399.402 4.005 50 10 GICARN CCOc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1 ZINC000004942492 570377656 /nfs/dbraw/zinc/37/76/56/570377656.db2.gz IIUKCIZGGKGRKG-LJQANCHMSA-N 0 0 376.412 4.375 50 10 GICARN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000004614327 570387720 /nfs/dbraw/zinc/38/77/20/570387720.db2.gz MUGNNBUETIXPMS-ZROIWOOFSA-N 0 0 377.874 4.460 50 10 GICARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)OC(C)(C)C)ccc32)cc1 ZINC000004747354 570402081 /nfs/dbraw/zinc/40/20/81/570402081.db2.gz KTWNXUUAYBBRDB-UHFFFAOYSA-N 0 0 382.412 4.189 50 10 GICARN N=C1/C(=C/c2cccs2)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000004872545 570414569 /nfs/dbraw/zinc/41/45/69/570414569.db2.gz CJXXFYAGYYIVCZ-KXXGJRMMSA-N 0 0 384.511 4.258 50 10 GICARN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1Cl ZINC000006132971 570467038 /nfs/dbraw/zinc/46/70/38/570467038.db2.gz IGYIYNGNIZBUGG-MDWZMJQESA-N 0 0 394.930 4.241 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1 ZINC000004505807 570517409 /nfs/dbraw/zinc/51/74/09/570517409.db2.gz SPYIETQLOVDJCF-XYOKQWHBSA-N 0 0 378.456 4.071 50 10 GICARN CCCCCCOC(=O)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000005234108 570523744 /nfs/dbraw/zinc/52/37/44/570523744.db2.gz BCEMUUSHVJUUKL-UHFFFAOYSA-N 0 0 375.424 4.452 50 10 GICARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000226850030 570544282 /nfs/dbraw/zinc/54/42/82/570544282.db2.gz PPMWCCMDBSXZCG-VFVRVIDISA-N 0 0 395.311 4.467 50 10 GICARN Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 ZINC000032964393 570548698 /nfs/dbraw/zinc/54/86/98/570548698.db2.gz ZOXWKNZHASTMCB-KDAGATOZSA-N 0 0 391.500 4.451 50 10 GICARN COc1cccc2c1O[C@H](CCSC)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000006721712 570550392 /nfs/dbraw/zinc/55/03/92/570550392.db2.gz TUVHYQNAPBRYLD-YLJYHZDGSA-N 0 0 384.501 4.332 50 10 GICARN COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)ccc1O ZINC000006721611 570550439 /nfs/dbraw/zinc/55/04/39/570550439.db2.gz STUHSFOQOSLBEY-FDDCHVKYSA-N 0 0 388.423 4.349 50 10 GICARN Cc1nn(C)c(C)c1[C@H]1CC(c2ccccc2O)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000071785173 570572831 /nfs/dbraw/zinc/57/28/31/570572831.db2.gz DHOBJPDWPGIFJO-LJQANCHMSA-N 0 0 391.431 4.006 50 10 GICARN Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2 ZINC000083327242 570657951 /nfs/dbraw/zinc/65/79/51/570657951.db2.gz UEGKOHQYHTWTJO-XSFVSMFZSA-N 0 0 393.446 4.246 50 10 GICARN CCn1nnc2c1cc(Nc1cccc(C)c1)c1c2C(=O)c2ccccc2C1=O ZINC000012413753 570668299 /nfs/dbraw/zinc/66/82/99/570668299.db2.gz HGQZXLYMARWVMM-UHFFFAOYSA-N 0 0 382.423 4.279 50 10 GICARN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000005616789 570670517 /nfs/dbraw/zinc/67/05/17/570670517.db2.gz RFODPLNGTHYCKE-PXLXIMEGSA-N 0 0 393.446 4.151 50 10 GICARN CC(C)CCN1COc2ccc3c(oc4c3C(=O)c3ccccc3C4=O)c2C1 ZINC000054387968 570677702 /nfs/dbraw/zinc/67/77/02/570677702.db2.gz MRXUMXGUDSYZFT-UHFFFAOYSA-N 0 0 375.424 4.406 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c(OC)c1 ZINC000000971673 570740776 /nfs/dbraw/zinc/74/07/76/570740776.db2.gz IKGQINYJMILHKA-LZYBPNLTSA-N 0 0 375.446 4.249 50 10 GICARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@@H](C)C2)cc1 ZINC000013551165 570757859 /nfs/dbraw/zinc/75/78/59/570757859.db2.gz XDVZBBHKOJWUPB-JJXUHFIVSA-N 0 0 399.535 4.283 50 10 GICARN O=C1N=C(Nc2ccccc2O)SC1=Cc1ccc(Br)cc1 ZINC000004464241 570794284 /nfs/dbraw/zinc/79/42/84/570794284.db2.gz APECMGZHOVPGKY-NTEUORMPSA-N 0 0 375.247 4.237 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C/c3sccc3C)C(C(=O)OC)=C2C)cc1 ZINC000005900160 570802087 /nfs/dbraw/zinc/80/20/87/570802087.db2.gz QROAIIPKPANVRW-SFQUDFHCSA-N 0 0 383.469 4.332 50 10 GICARN COC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)ccc1Cl ZINC000101113899 570814089 /nfs/dbraw/zinc/81/40/89/570814089.db2.gz JEBIMMJOUTZHSJ-GZTJUZNOSA-N 0 0 383.835 4.154 50 10 GICARN CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S1 ZINC000004672809 570819645 /nfs/dbraw/zinc/81/96/45/570819645.db2.gz LMBNQXWLQDOKHB-YVLHZVERSA-N 0 0 386.860 4.025 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1Cl ZINC000004690725 570839466 /nfs/dbraw/zinc/83/94/66/570839466.db2.gz GGODDMVQKCLQKO-NVNXTCNLSA-N 0 0 377.874 4.460 50 10 GICARN COc1ccccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C ZINC000007423276 570840914 /nfs/dbraw/zinc/84/09/14/570840914.db2.gz AXGYGSJCACZAFG-UHFFFAOYSA-N 0 0 387.892 4.480 50 10 GICARN Cc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1C ZINC000004549669 570860888 /nfs/dbraw/zinc/86/08/88/570860888.db2.gz MXZXJXQWHUCHTD-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN C[C@@H](c1ccccc1)n1cnn(CN(C)Cc2ccc(N(C)C)cc2)c1=S ZINC000054440551 570942341 /nfs/dbraw/zinc/94/23/41/570942341.db2.gz OOUWDPRGQHYCQM-KRWDZBQOSA-N 0 0 381.549 4.179 50 10 GICARN CCC(=O)Oc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC ZINC000033290943 570958651 /nfs/dbraw/zinc/95/86/51/570958651.db2.gz OZSIFEISMYZSCB-LDADJPATSA-N 0 0 378.428 4.125 50 10 GICARN CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2O)cc1 ZINC000004793214 570993087 /nfs/dbraw/zinc/99/30/87/570993087.db2.gz ZRYOKRLEQPTREW-DTQAZKPQSA-N 0 0 383.451 4.328 50 10 GICARN CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCN(c2ccccc2)CC1 ZINC000002271649 817382118 /nfs/dbraw/zinc/38/21/18/817382118.db2.gz ZJLYHEXYQQHPLC-WCWDXBQESA-N 0 0 377.448 4.166 50 10 GICARN CCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002285276 817382576 /nfs/dbraw/zinc/38/25/76/817382576.db2.gz MVTGTNCDVFOEOG-KAMYIIQDSA-N 0 0 383.922 4.275 50 10 GICARN CCN(CC)c1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1 ZINC000002296529 817382945 /nfs/dbraw/zinc/38/29/45/817382945.db2.gz HDYZCQXKVIPLLB-LECGRMGRSA-N 0 0 389.543 4.478 50 10 GICARN O=C1Nc2ccccc2/C1=C1/SC(=S)N(Cc2ccc(Cl)cc2)C1=O ZINC000002452172 817389865 /nfs/dbraw/zinc/38/98/65/817389865.db2.gz GHQRNJBQLJPHFI-PFONDFGASA-N 0 0 386.885 4.064 50 10 GICARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000002801638 817402043 /nfs/dbraw/zinc/40/20/43/817402043.db2.gz YUZYHESLAVYEMF-BOPFTXTBSA-N 0 0 399.493 4.102 50 10 GICARN COc1ccc(N2CC[C@H](CNC(=S)Nc3ccccc3Cl)C2)cc1 ZINC000003050187 817415466 /nfs/dbraw/zinc/41/54/66/817415466.db2.gz OGEXSLJYJYKBMN-CQSZACIVSA-N 0 0 375.925 4.162 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000003399945 817448587 /nfs/dbraw/zinc/44/85/87/817448587.db2.gz PEGWCCJTLGWXPM-UHFFFAOYSA-N 0 0 388.467 4.378 50 10 GICARN CC[C@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(C)o3)C2=N)S1)c1ccccc1 ZINC000003890278 817494961 /nfs/dbraw/zinc/49/49/61/817494961.db2.gz ZBEXTMSXAZHTAM-FHJDQAINSA-N 0 0 378.457 4.401 50 10 GICARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000004172126 817507923 /nfs/dbraw/zinc/50/79/23/817507923.db2.gz MBTPSYGHODMTSU-LQWHRVPQSA-N 0 0 377.440 4.476 50 10 GICARN N=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC=NN21 ZINC000004952344 817543276 /nfs/dbraw/zinc/54/32/76/817543276.db2.gz MKKBXRHHMNSWTJ-NFFPZGGSSA-N 0 0 388.861 4.333 50 10 GICARN COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000005603797 817599296 /nfs/dbraw/zinc/59/92/96/817599296.db2.gz JAJCOIOOPHSXOE-CXUHLZMHSA-N 0 0 386.835 4.172 50 10 GICARN CC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cc(Br)ccc1O ZINC000023279672 818919685 /nfs/dbraw/zinc/91/96/85/818919685.db2.gz GHJLYYGYFMHRER-LJQANCHMSA-N 0 0 385.261 4.130 50 10 GICARN COc1ccc(-c2cc3ccc([O-])c(C[NH+]4CCCCC4)c3oc2=O)cc1OC ZINC000001237923 206290788 /nfs/dbraw/zinc/29/07/88/206290788.db2.gz IHVGGZBFXHCELH-UHFFFAOYSA-N 0 0 395.455 4.169 50 10 GICARN CN(C)c1ccc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1 ZINC000096759160 206301797 /nfs/dbraw/zinc/30/17/97/206301797.db2.gz NFRZKQHEZMNPOF-KAMYIIQDSA-N 0 0 385.389 4.426 50 10 GICARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000096759404 206301866 /nfs/dbraw/zinc/30/18/66/206301866.db2.gz IWWXDDIHURTAMR-FOWTUZBSSA-N 0 0 386.908 4.290 50 10 GICARN Cc1cc(C(=O)CSc2nc(N)n[nH]2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000000630549 206310058 /nfs/dbraw/zinc/31/00/58/206310058.db2.gz FEOLWFQWKDIMJI-UHFFFAOYSA-N 0 0 396.303 4.076 50 10 GICARN COc1cccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)c1 ZINC000009420046 206334349 /nfs/dbraw/zinc/33/43/49/206334349.db2.gz QDWCSKXJJCSBSN-VCHYOVAHSA-N 0 0 381.478 4.420 50 10 GICARN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000000981822 206338741 /nfs/dbraw/zinc/33/87/41/206338741.db2.gz DXJXWZYDLJWLNX-JQFNYASXSA-N 0 0 398.484 4.000 50 10 GICARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000001099960 206352213 /nfs/dbraw/zinc/35/22/13/206352213.db2.gz VCDNQVBJWWSZOS-ZSOIEALJSA-N 0 0 393.331 4.345 50 10 GICARN Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000001129598 206357125 /nfs/dbraw/zinc/35/71/25/206357125.db2.gz VCYFLFRKUADARP-XMHGGMMESA-N 0 0 396.537 4.237 50 10 GICARN COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000001131551 206357403 /nfs/dbraw/zinc/35/74/03/206357403.db2.gz GQEVWOUQRFUQMK-UHFFFAOYSA-N 0 0 380.275 4.356 50 10 GICARN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001445361 206381771 /nfs/dbraw/zinc/38/17/71/206381771.db2.gz JJQABRIHEDHFHQ-PDGQHHTCSA-N 0 0 379.416 4.094 50 10 GICARN C=C(c1ccc(OC)c(OC)c1)C1SC(=S)N(Cc2ccccc2)C1=O ZINC000001164340 206362029 /nfs/dbraw/zinc/36/20/29/206362029.db2.gz DDONPSOFHZDYNR-AQTBWJFISA-N 0 0 385.510 4.495 50 10 GICARN COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c(C)c3)SC2=S)cc1 ZINC000001166798 206362873 /nfs/dbraw/zinc/36/28/73/206362873.db2.gz CDDCUVSYWUCNPO-WQRHYEAKSA-N 0 0 385.510 4.414 50 10 GICARN C[C@H](COc1ccccc1)COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000001180843 206363585 /nfs/dbraw/zinc/36/35/85/206363585.db2.gz MYVXVSGTKLSJEO-XWAFYUISSA-N 0 0 385.510 4.269 50 10 GICARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O ZINC000001177531 206363946 /nfs/dbraw/zinc/36/39/46/206363946.db2.gz BTWRWRYLPHPOMS-OQLLNIDSSA-N 0 0 391.901 4.456 50 10 GICARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000001204900 206367223 /nfs/dbraw/zinc/36/72/23/206367223.db2.gz XVABAFKISUEYAR-GZTJUZNOSA-N 0 0 399.493 4.054 50 10 GICARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000001244708 206371089 /nfs/dbraw/zinc/37/10/89/206371089.db2.gz CQWWDDUTOPGATJ-YBEGLDIGSA-N 0 0 375.446 4.249 50 10 GICARN Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(C)n1-c1ccccc1 ZINC000003319224 206469835 /nfs/dbraw/zinc/46/98/35/206469835.db2.gz LFYRSMRCMCTIGM-UHFFFAOYSA-N 0 0 384.382 4.168 50 10 GICARN CC(C)CCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000004705499 206545863 /nfs/dbraw/zinc/54/58/63/206545863.db2.gz OUAXYJSQVWTSNJ-PKNBQFBNSA-N 0 0 382.411 4.081 50 10 GICARN CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)N2CCc3ccccc32)cc1 ZINC000005098637 206591709 /nfs/dbraw/zinc/59/17/09/206591709.db2.gz VCNIUJYYZNPFDM-JOCHJYFZSA-N 0 0 379.548 4.409 50 10 GICARN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 ZINC000005682575 206625694 /nfs/dbraw/zinc/62/56/94/206625694.db2.gz ZUCSWHRESOZPRO-XNTDXEJSSA-N 0 0 388.901 4.195 50 10 GICARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1Cc1ccco1 ZINC000009188442 206776428 /nfs/dbraw/zinc/77/64/28/206776428.db2.gz VZEDTVRUMUWFOM-JYRVWZFOSA-N 0 0 380.288 4.444 50 10 GICARN CC(NCCc1cccs1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000012412686 206894919 /nfs/dbraw/zinc/89/49/19/206894919.db2.gz NUNQXANAOFBSRA-SFQUDFHCSA-N 0 0 382.514 4.187 50 10 GICARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000012564691 206913553 /nfs/dbraw/zinc/91/35/53/206913553.db2.gz TVDXLYAUZQTHLE-UHFFFAOYSA-N 0 0 397.500 4.240 50 10 GICARN O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000013546752 206979036 /nfs/dbraw/zinc/97/90/36/206979036.db2.gz WVCOGLKEXBVACT-LDADJPATSA-N 0 0 399.853 4.172 50 10 GICARN CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1 ZINC000015010819 207040040 /nfs/dbraw/zinc/04/00/40/207040040.db2.gz IOUDFHHMFBYFIA-PDGQHHTCSA-N 0 0 383.542 4.329 50 10 GICARN COc1cc(Cl)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1OC ZINC000015011051 207040394 /nfs/dbraw/zinc/04/03/94/207040394.db2.gz KVQOHUOBBRKPHJ-CHHVJCJISA-N 0 0 395.889 4.352 50 10 GICARN CCOc1ccccc1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000015015224 207041368 /nfs/dbraw/zinc/04/13/68/207041368.db2.gz GIFUJPBLTUFYTA-ZDLGFXPLSA-N 0 0 399.493 4.215 50 10 GICARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000015502946 207051594 /nfs/dbraw/zinc/05/15/94/207051594.db2.gz KWRIXLFHUQNKHU-SIKLNZKXSA-N 0 0 379.504 4.278 50 10 GICARN Cc1ccc(C)c(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000015800321 207061957 /nfs/dbraw/zinc/06/19/57/207061957.db2.gz WUWHKPHNCLJNLH-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccccc1Cl ZINC000016672866 207075426 /nfs/dbraw/zinc/07/54/26/207075426.db2.gz ANDJBEKHKKRRAO-HNBAAQFOSA-N 0 0 390.873 4.035 50 10 GICARN Cc1ccc(F)cc1NCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O ZINC000017145722 207087072 /nfs/dbraw/zinc/08/70/72/207087072.db2.gz WPDPDIWAZZZHLG-VCHYOVAHSA-N 0 0 385.464 4.306 50 10 GICARN Oc1c([C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc2cccnc21 ZINC000019680916 207149455 /nfs/dbraw/zinc/14/94/55/207149455.db2.gz HCJRDVCEUFLOHP-IBGZPJMESA-N 0 0 388.389 4.381 50 10 GICARN Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000020037202 207175070 /nfs/dbraw/zinc/17/50/70/207175070.db2.gz PRBKYBYBIQIHLW-ZJNHSXOMSA-N 0 0 376.485 4.488 50 10 GICARN CC(C)OC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 ZINC000020289848 207187418 /nfs/dbraw/zinc/18/74/18/207187418.db2.gz KMXKMHJBMDZBCN-UHFFFAOYSA-N 0 0 381.501 4.002 50 10 GICARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000020507192 207199439 /nfs/dbraw/zinc/19/94/39/207199439.db2.gz ALHGGSZZLWYIKB-ZIAGYGMSSA-N 0 0 378.875 4.179 50 10 GICARN COC(=O)c1ccc([C@H]2N=C(c3cccs3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000020763793 207213063 /nfs/dbraw/zinc/21/30/63/207213063.db2.gz WFBPUVKZXHRVHX-LAUBAEHRSA-N 0 0 392.480 4.463 50 10 GICARN CCC[C@H]1CCc2c(sc(NC(=O)CCC(=O)OCC)c2C(=O)OCC)C1 ZINC000022332885 207252748 /nfs/dbraw/zinc/25/27/48/207252748.db2.gz KWXGIGFNNOHTOT-ZDUSSCGKSA-N 0 0 395.521 4.112 50 10 GICARN Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc2cccc(F)c12 ZINC000024207028 207289623 /nfs/dbraw/zinc/28/96/23/207289623.db2.gz HZXCKNUVBKYLMS-UHFFFAOYSA-N 0 0 398.503 4.458 50 10 GICARN Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000028288107 207339554 /nfs/dbraw/zinc/33/95/54/207339554.db2.gz XQYRAXFKLCDSAT-UHFFFAOYSA-N 0 0 375.472 4.068 50 10 GICARN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc(O)c(O)c1 ZINC000079474233 208074953 /nfs/dbraw/zinc/07/49/53/208074953.db2.gz IBKYGINUPLQLCC-UHFFFAOYSA-N 0 0 391.383 4.401 50 10 GICARN COC(=O)c1ccc(C=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)o1 ZINC000096180176 208283469 /nfs/dbraw/zinc/28/34/69/208283469.db2.gz NXCQTDZZVFARFR-MDWZMJQESA-N 0 0 396.346 4.167 50 10 GICARN COc1ccc(CNC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)cc1 ZINC000100422753 208376836 /nfs/dbraw/zinc/37/68/36/208376836.db2.gz XKCFXQWCNXCRJC-UYRXBGFRSA-N 0 0 392.484 4.091 50 10 GICARN COc1ccc(C(=O)N(C)CCC=C2c3ccccc3CCc3ccccc32)nn1 ZINC000155749036 208704465 /nfs/dbraw/zinc/70/44/65/208704465.db2.gz YYPBTDXKIJKGQS-UHFFFAOYSA-N 0 0 399.494 4.178 50 10 GICARN Cc1ccccc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000007988916 221021761 /nfs/dbraw/zinc/02/17/61/221021761.db2.gz RKXHSFKAHXRTSE-NRFANRHFSA-N 0 0 398.572 4.361 50 10 GICARN Cc1nc(NC(=O)[C@H](C)N2CCCc3cc(OC(F)F)ccc32)sc1C ZINC000089562572 136175670 /nfs/dbraw/zinc/17/56/70/136175670.db2.gz IOGUWTONJMINBV-NSHDSACASA-N 0 0 381.448 4.141 50 10 GICARN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(C2SCCS2)cc1 ZINC000095365214 136178215 /nfs/dbraw/zinc/17/82/15/136178215.db2.gz LWWUGVQNRPGEOC-UHFFFAOYSA-N 0 0 386.542 4.254 50 10 GICARN Cc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1 ZINC000000722523 524243683 /nfs/dbraw/zinc/24/36/83/524243683.db2.gz CRMDULFXPDGVRY-UHFFFAOYSA-N 0 0 388.448 4.336 50 10 GICARN O=C1C(=Cc2cccs2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000000805296 526950019 /nfs/dbraw/zinc/95/00/19/526950019.db2.gz JFLHZEZAJUDMCH-UHFFFAOYSA-N 0 0 390.489 4.496 50 10 GICARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000001832404 570269435 /nfs/dbraw/zinc/26/94/35/570269435.db2.gz IGSANGDAAZZQED-VLUKHXRESA-N 0 0 388.558 4.451 50 10 GICARN Cc1ccc(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000002852044 570309094 /nfs/dbraw/zinc/30/90/94/570309094.db2.gz LVTNFRBFFDRXAT-QGOAFFKASA-N 0 0 385.510 4.332 50 10 GICARN CCCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O ZINC000000801077 570341796 /nfs/dbraw/zinc/34/17/96/570341796.db2.gz BIQMEYCMAGHOEQ-LJQANCHMSA-N 0 0 398.846 4.328 50 10 GICARN O=C(Nc1ccc(C(=O)C(=O)c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004892444 570357948 /nfs/dbraw/zinc/35/79/48/570357948.db2.gz RIDBEQSUFYJUFS-UHFFFAOYSA-N 0 0 389.367 4.304 50 10 GICARN COc1ccccc1[C@@H](NC(=O)Cc1ccccc1)c1ccc2cccnc2c1O ZINC000004903388 570360635 /nfs/dbraw/zinc/36/06/35/570360635.db2.gz HLYAFBMYQJXBDZ-XMMPIXPASA-N 0 0 398.462 4.397 50 10 GICARN CCCCCCNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 ZINC000033749541 570411351 /nfs/dbraw/zinc/41/13/51/570411351.db2.gz JUTYUAVUCKKILB-PYCFMQQDSA-N 0 0 393.531 4.220 50 10 GICARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)Cc2ccccc2)C1=O ZINC000004858038 570413105 /nfs/dbraw/zinc/41/31/05/570413105.db2.gz NHYFWCDROMNHIF-MNPLYOLFSA-N 0 0 394.521 4.108 50 10 GICARN CCOC(=O)C1=C(C(=O)OCC)SC(=CC(=S)c2ccccc2)S1 ZINC000005010173 570423828 /nfs/dbraw/zinc/42/38/28/570423828.db2.gz YKOMNLVRCLRIDS-UHFFFAOYSA-N 0 0 380.512 4.064 50 10 GICARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccc(O)c(O)c1 ZINC000005156132 570434153 /nfs/dbraw/zinc/43/41/53/570434153.db2.gz BLJJFMFCMBUSEH-UHFFFAOYSA-N 0 0 394.474 4.189 50 10 GICARN COc1ccc(N2CCOCC2)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000006715958 570489798 /nfs/dbraw/zinc/48/97/98/570489798.db2.gz WMRAMZQUPYKWNR-UHFFFAOYSA-N 0 0 384.520 4.077 50 10 GICARN O=C(c1cccc(F)c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000002777392 570515690 /nfs/dbraw/zinc/51/56/90/570515690.db2.gz CHGMXFQKAXFEHA-UHFFFAOYSA-N 0 0 390.458 4.367 50 10 GICARN Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000005225994 570517586 /nfs/dbraw/zinc/51/75/86/570517586.db2.gz CJCIKXXPPHIEGT-UHFFFAOYSA-N 0 0 382.847 4.108 50 10 GICARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(F)c3)C2=N)S1 ZINC000032964156 570545998 /nfs/dbraw/zinc/54/59/98/570545998.db2.gz VJUDQOCHTKUYHQ-ISFDWQSPSA-N 0 0 395.463 4.426 50 10 GICARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1O ZINC000006721610 570550205 /nfs/dbraw/zinc/55/02/05/570550205.db2.gz XUXHVKOEKKQXNG-MBSDFSHPSA-N 0 0 388.423 4.349 50 10 GICARN COCCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S ZINC000009189375 570551591 /nfs/dbraw/zinc/55/15/91/570551591.db2.gz MAEOLRWMENKQAL-UYRXBGFRSA-N 0 0 399.537 4.422 50 10 GICARN CC[C@H]1Cn2c(C(=O)NCc3ccc(N(C)C)cc3)cc3c2c(ccc3Cl)O1 ZINC000064816643 570552803 /nfs/dbraw/zinc/55/28/03/570552803.db2.gz MKOTXVFPISWSBY-INIZCTEOSA-N 0 0 397.906 4.462 50 10 GICARN CN(C)c1ccc([C@H]2OC(=O)c3ccccc3N2C(=O)c2cccs2)cc1 ZINC000005328668 570554339 /nfs/dbraw/zinc/55/43/39/570554339.db2.gz LWPIDKUDZCYCTE-HXUWFJFHSA-N 0 0 378.453 4.330 50 10 GICARN CCN1CCN(c2cc(NC(C)C)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737932 570562139 /nfs/dbraw/zinc/56/21/39/570562139.db2.gz LMQACHNCFWPXBZ-UHFFFAOYSA-N 0 0 390.487 4.001 50 10 GICARN CC(C)Nc1cc(N2CCC(=O)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737948 570562258 /nfs/dbraw/zinc/56/22/58/570562258.db2.gz PWUXYEYIDYVGMD-UHFFFAOYSA-N 0 0 375.428 4.029 50 10 GICARN COc1ccc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000005393890 570584775 /nfs/dbraw/zinc/58/47/75/570584775.db2.gz FUZZKKBLOKQBCD-UHFFFAOYSA-N 0 0 386.495 4.176 50 10 GICARN CCc1ccc2c(c1)/C(=C1\SC(N(C)c3ccc(Cl)cc3)=NC1=O)C(=O)N2 ZINC000034221911 570598700 /nfs/dbraw/zinc/59/87/00/570598700.db2.gz JTINVLQLFKILNK-WUKNDPDISA-N 0 0 397.887 4.331 50 10 GICARN CC/C(C)=C1\SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O ZINC000005478385 570608561 /nfs/dbraw/zinc/60/85/61/570608561.db2.gz ZLNHEOKZRDDNPX-QINSGFPZSA-N 0 0 383.439 4.141 50 10 GICARN O=C(c1ccccc1Cl)N1N=C(c2ccccn2)C[C@H]1c1ccccc1O ZINC000225783136 570616836 /nfs/dbraw/zinc/61/68/36/570616836.db2.gz JZKSEKITPYHBOZ-IBGZPJMESA-N 0 0 377.831 4.432 50 10 GICARN C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000044854840 570636725 /nfs/dbraw/zinc/63/67/25/570636725.db2.gz HLFUTKHNOXZBJE-IBGZPJMESA-N 0 0 388.515 4.413 50 10 GICARN CCc1cccc(C)c1NC(=S)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000013543395 570654842 /nfs/dbraw/zinc/65/48/42/570654842.db2.gz MVYVMRUQTOULGH-KRWDZBQOSA-N 0 0 383.561 4.379 50 10 GICARN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1O ZINC000012418334 570657411 /nfs/dbraw/zinc/65/74/11/570657411.db2.gz WRHBZNKYFURQEE-QPEQYQDCSA-N 0 0 381.862 4.049 50 10 GICARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000013614804 570661478 /nfs/dbraw/zinc/66/14/78/570661478.db2.gz KWSXAQPNOODHNO-ATVHPVEESA-N 0 0 383.429 4.311 50 10 GICARN Cc1cc(/C=C\[N+](=O)[O-])c(C)n1-c1ccc(C)c(I)c1 ZINC000005797521 570691618 /nfs/dbraw/zinc/69/16/18/570691618.db2.gz ZJVJDJQJGNSSGN-SREVYHEPSA-N 0 0 382.201 4.255 50 10 GICARN CCN1C(=O)/C(=C/c2cccc(OCc3cccc(OC)c3)c2)SC1=S ZINC000006951056 570721172 /nfs/dbraw/zinc/72/11/72/570721172.db2.gz IRDHTSCUOAWFCY-PDGQHHTCSA-N 0 0 385.510 4.495 50 10 GICARN COc1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)cc1 ZINC000013037742 570742662 /nfs/dbraw/zinc/74/26/62/570742662.db2.gz IBOLQDAPBQACOK-WOJGMQOQSA-N 0 0 381.478 4.420 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c(OC)c1 ZINC000013602635 570762065 /nfs/dbraw/zinc/76/20/65/570762065.db2.gz IKGQINYJMILHKA-PXNMLYILSA-N 0 0 375.446 4.249 50 10 GICARN COc1ccc2c(/C=C3\SC(=S)N(Nc4ccccc4)C3=O)c[nH]c2c1 ZINC000013681373 570773404 /nfs/dbraw/zinc/77/34/04/570773404.db2.gz CBJWAFVFQJZFBF-MFOYZWKCSA-N 0 0 381.482 4.405 50 10 GICARN CCCCN(CCCC)c1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 ZINC000096602594 570774817 /nfs/dbraw/zinc/77/48/17/570774817.db2.gz FUONDGYABIKGOM-FQEVSTJZSA-N 0 0 387.524 4.236 50 10 GICARN CCCN1c2ccccc2/C(=C2/SC(=S)N(C3CCCCC3)C2=O)C1=O ZINC000013765840 570786640 /nfs/dbraw/zinc/78/66/40/570786640.db2.gz AFUKVVKJRVXIIN-MSUUIHNZSA-N 0 0 386.542 4.347 50 10 GICARN CCOc1ccccc1N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S ZINC000004470119 570790777 /nfs/dbraw/zinc/79/07/77/570790777.db2.gz OHSWSILSYXBKON-LFIBNONCSA-N 0 0 381.482 4.367 50 10 GICARN O=C1C2=C3CCCCCN3[C@H](c3ccc(Cl)cc3)NC2=NN1c1ccccc1 ZINC000005824987 570794681 /nfs/dbraw/zinc/79/46/81/570794681.db2.gz QIAQUPQDXGVHQQ-OAQYLSRUSA-N 0 0 392.890 4.432 50 10 GICARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccc(F)cc2s1 ZINC000032772606 570805754 /nfs/dbraw/zinc/80/57/54/570805754.db2.gz IUHPAHQVJDARHU-UHFFFAOYSA-N 0 0 384.476 4.149 50 10 GICARN COc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)c1 ZINC000007423280 570840838 /nfs/dbraw/zinc/84/08/38/570840838.db2.gz PFOOVSSXWNRHER-UHFFFAOYSA-N 0 0 387.892 4.480 50 10 GICARN Oc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 ZINC000102829019 570866308 /nfs/dbraw/zinc/86/63/08/570866308.db2.gz LJOPNTQDYQLILI-RXVVDRJESA-N 0 0 393.830 4.389 50 10 GICARN CCc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000044169780 570867992 /nfs/dbraw/zinc/86/79/92/570867992.db2.gz QUAVOAMURGXRQJ-UHFFFAOYSA-N 0 0 396.512 4.028 50 10 GICARN CC(C)n1c2cnccc2nc(NCc2ccc(N3CCC(C)CC3)cc2)c1=O ZINC000097138404 570898884 /nfs/dbraw/zinc/89/88/84/570898884.db2.gz HEARWWDFJCUJIO-UHFFFAOYSA-N 0 0 391.519 4.221 50 10 GICARN COc1ccc2c(c1)N1C(=O)C(c3ccccc3)=S=C1C=C2C(F)(F)F ZINC000334158880 570934732 /nfs/dbraw/zinc/93/47/32/570934732.db2.gz KKJCISCYUBBIJO-UHFFFAOYSA-N 0 0 375.371 4.085 50 10 GICARN CCOc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1 ZINC000002118304 570952886 /nfs/dbraw/zinc/95/28/86/570952886.db2.gz WVZXPUKVISSWHZ-UHFFFAOYSA-N 0 0 377.440 4.345 50 10 GICARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000252457213 570959188 /nfs/dbraw/zinc/95/91/88/570959188.db2.gz NJNMWFMFDSQZAU-UHFFFAOYSA-N 0 0 384.395 4.337 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000033313213 570972273 /nfs/dbraw/zinc/97/22/73/570972273.db2.gz QRGKEIFXCWMQCA-GDNBJRDFSA-N 0 0 378.475 4.137 50 10 GICARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccc(O)c(O)c1 ZINC000044867303 570978650 /nfs/dbraw/zinc/97/86/50/570978650.db2.gz JGNKJEGONKDNLK-UHFFFAOYSA-N 0 0 396.346 4.142 50 10 GICARN Cc1nc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2s1 ZINC000084290392 571012255 /nfs/dbraw/zinc/01/22/55/571012255.db2.gz WIBNKAVNGJDSTK-UHFFFAOYSA-N 0 0 398.557 4.480 50 10 GICARN Cc1ccc(C2=NC(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)S2)cc1 ZINC000003033471 817412899 /nfs/dbraw/zinc/41/28/99/817412899.db2.gz NQUWUAQXSSWZAL-CCEZHUSRSA-N 0 0 399.269 4.141 50 10 GICARN Cc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000003343101 817439762 /nfs/dbraw/zinc/43/97/62/817439762.db2.gz YFZANLTVJVLQAE-MRXNPFEDSA-N 0 0 394.446 4.267 50 10 GICARN O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000004106748 817504001 /nfs/dbraw/zinc/50/40/01/817504001.db2.gz NNFVNTKHCLQXMJ-UYRXBGFRSA-N 0 0 381.863 4.033 50 10 GICARN CC[C@@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(C)o3)C2=N)S1)c1ccccc1 ZINC000004949476 817543310 /nfs/dbraw/zinc/54/33/10/817543310.db2.gz ZBEXTMSXAZHTAM-MGPPLAMLSA-N 0 0 378.457 4.401 50 10 GICARN CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(OC(C)=O)ccc2ccccc21 ZINC000005060183 817548137 /nfs/dbraw/zinc/54/81/37/817548137.db2.gz BSFGPTRUDGXWCX-XMMPIXPASA-N 0 0 390.483 4.447 50 10 GICARN Cc1cc(C(=O)CSc2nnc(CN3CCCC3)o2)c(C)n1-c1ccccc1 ZINC000008024505 817985365 /nfs/dbraw/zinc/98/53/65/817985365.db2.gz OFIQZEJKXJRUQI-UHFFFAOYSA-N 0 0 396.516 4.048 50 10 GICARN O=C(c1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CC[C@@H](c2ccccc2)C1 ZINC000012376165 818156116 /nfs/dbraw/zinc/15/61/16/818156116.db2.gz CZDFHWFZSFNDOX-GOSISDBHSA-N 0 0 381.431 4.092 50 10 GICARN COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc3c(c2)OCO3)cc1 ZINC000016115322 818395396 /nfs/dbraw/zinc/39/53/96/818395396.db2.gz OORURXJXWLEQAN-MOSHPQCFSA-N 0 0 398.418 4.258 50 10 GICARN CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2c(C[NH+]2CCCCC2)c1[O-] ZINC000000795543 206290398 /nfs/dbraw/zinc/29/03/98/206290398.db2.gz YKBJGQYYLBBRCX-UHFFFAOYSA-N 0 0 399.516 4.061 50 10 GICARN CC(=O)N1CCN(C(=S)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000000921421 206333043 /nfs/dbraw/zinc/33/30/43/206333043.db2.gz WAPQRZDCFBFXHM-UHFFFAOYSA-N 0 0 383.300 4.093 50 10 GICARN O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1O ZINC000001298816 206371286 /nfs/dbraw/zinc/37/12/86/206371286.db2.gz RAMDEYBXJWGGCT-LGMDPLHJSA-N 0 0 398.509 4.012 50 10 GICARN COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000010215930 206374676 /nfs/dbraw/zinc/37/46/76/206374676.db2.gz NFYACXHBDUDVSM-AUSIDOKSSA-N 0 0 387.439 4.347 50 10 GICARN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000010113622 206374802 /nfs/dbraw/zinc/37/48/02/206374802.db2.gz KVNMYGGHHQHOCQ-UHFFFAOYSA-N 0 0 385.316 4.072 50 10 GICARN CCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000001417219 206379018 /nfs/dbraw/zinc/37/90/18/206379018.db2.gz OETMOMVFXKARJM-RQZCQDPDSA-N 0 0 385.466 4.220 50 10 GICARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)SC1=S ZINC000001163656 206362065 /nfs/dbraw/zinc/36/20/65/206362065.db2.gz KMNVRCWPZINLKV-IUXPMGMMSA-N 0 0 386.498 4.044 50 10 GICARN O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1CCc1ccccc1 ZINC000001164884 206362189 /nfs/dbraw/zinc/36/21/89/206362189.db2.gz ZNARFIOUWNTDPY-WJDWOHSUSA-N 0 0 375.902 4.490 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000001191359 206365188 /nfs/dbraw/zinc/36/51/88/206365188.db2.gz DALKIEZOYUHVAV-YVLHZVERSA-N 0 0 385.466 4.220 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1 ZINC000001196009 206367162 /nfs/dbraw/zinc/36/71/62/206367162.db2.gz FXNNCXKSZWUCBN-HKWRFOASSA-N 0 0 377.440 4.353 50 10 GICARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(F)c1 ZINC000001217389 206367790 /nfs/dbraw/zinc/36/77/90/206367790.db2.gz KNADWSZCKSJSLN-UVTDQMKNSA-N 0 0 392.502 4.117 50 10 GICARN Cc1cc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)c(C)n1-c1ccc(F)cc1 ZINC000003368878 206475270 /nfs/dbraw/zinc/47/52/70/206475270.db2.gz DSYNCGGORGTEEG-UHFFFAOYSA-N 0 0 398.409 4.476 50 10 GICARN Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)s1 ZINC000003384632 206476456 /nfs/dbraw/zinc/47/64/56/206476456.db2.gz HJRQXXYETXGPTB-UHFFFAOYSA-N 0 0 397.452 4.232 50 10 GICARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000004059290 206500842 /nfs/dbraw/zinc/50/08/42/206500842.db2.gz PTWYLKQSAMSGMN-IBGZPJMESA-N 0 0 386.293 4.213 50 10 GICARN CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=N)N12 ZINC000004825833 206558753 /nfs/dbraw/zinc/55/87/53/206558753.db2.gz CROYRELKGIZSTJ-GHZHVEGCSA-N 0 0 386.433 4.025 50 10 GICARN COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)c(C)c3oc(=O)c2c1 ZINC000004949647 206575535 /nfs/dbraw/zinc/57/55/35/206575535.db2.gz ILPZEEKYZKRLGT-UHFFFAOYSA-N 0 0 395.455 4.091 50 10 GICARN CN(CCO)c1cc(NCc2ccccc2)c2c3c1noc3-c1ccccc1C2=O ZINC000006737987 206668548 /nfs/dbraw/zinc/66/85/48/206668548.db2.gz XBNZSUAUIYHUNP-UHFFFAOYSA-N 0 0 399.450 4.080 50 10 GICARN COCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S ZINC000009189371 206775973 /nfs/dbraw/zinc/77/59/73/206775973.db2.gz PBDPOZAYOYBBRU-AQTBWJFISA-N 0 0 385.510 4.113 50 10 GICARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccn1 ZINC000012545983 206909993 /nfs/dbraw/zinc/90/99/93/206909993.db2.gz BGMHVQWCWLUFAS-OAHLLOKOSA-N 0 0 397.862 4.327 50 10 GICARN Cn1cccc1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000013768882 207000033 /nfs/dbraw/zinc/00/00/33/207000033.db2.gz QRBVNQGJAZZPMO-LCYFTJDESA-N 0 0 379.304 4.193 50 10 GICARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1F ZINC000014009234 207007927 /nfs/dbraw/zinc/00/79/27/207007927.db2.gz ZHCBQZGWKAYBNX-NDENLUEZSA-N 0 0 389.455 4.004 50 10 GICARN COc1ccc2c(c1)OCC(C=C1SC(Nc3ccccc3C)=NC1=O)=C2 ZINC000014176793 207013425 /nfs/dbraw/zinc/01/34/25/207013425.db2.gz CQIQONIMARXUEZ-GRSHGNNSSA-N 0 0 378.453 4.405 50 10 GICARN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)oc2c1[C@H]1N=C(C)S[C@@H]1CC2 ZINC000015730087 207056880 /nfs/dbraw/zinc/05/68/80/207056880.db2.gz GGCWEZFAGBPDDJ-MJGOQNOKSA-N 0 0 383.517 4.105 50 10 GICARN COc1ccc(C(=O)Nc2cccc(N3CCn4c(nc5ccccc54)C3)c2)cc1 ZINC000019855278 207166299 /nfs/dbraw/zinc/16/62/99/207166299.db2.gz WCHMUBLQGYTWAT-UHFFFAOYSA-N 0 0 398.466 4.317 50 10 GICARN COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c1C ZINC000020037311 207175043 /nfs/dbraw/zinc/17/50/43/207175043.db2.gz IYLRHKGKVGFQQE-FIMHLPJISA-N 0 0 392.484 4.270 50 10 GICARN Cc1nn(-c2ccccc2)c2c1CN[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000020865090 207216031 /nfs/dbraw/zinc/21/60/31/207216031.db2.gz HHGMPMMOYFQYHR-HSZRJFAPSA-N 0 0 383.499 4.230 50 10 GICARN Cc1cccc(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 ZINC000027531567 207327037 /nfs/dbraw/zinc/32/70/37/207327037.db2.gz FRAGDYUMLNXVNG-QGOAFFKASA-N 0 0 385.510 4.284 50 10 GICARN Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1 ZINC000028288142 207339856 /nfs/dbraw/zinc/33/98/56/207339856.db2.gz TWDVQQVHTRMUJL-UHFFFAOYSA-N 0 0 375.472 4.068 50 10 GICARN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)ccc1Br ZINC000028329986 207341218 /nfs/dbraw/zinc/34/12/18/207341218.db2.gz GDZSACRFGLICEK-UHFFFAOYSA-N 0 0 377.257 4.118 50 10 GICARN Cc1cccc2[nH]cc(C3=CCN(c4nc5sccn5c4[N+](=O)[O-])CC3)c21 ZINC000040139293 207583381 /nfs/dbraw/zinc/58/33/81/207583381.db2.gz ZDLZSNQJLSRTOY-UHFFFAOYSA-N 0 0 379.445 4.387 50 10 GICARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000072329011 207996709 /nfs/dbraw/zinc/99/67/09/207996709.db2.gz YDCJOWBNZBMRKB-UHFFFAOYSA-N 0 0 392.503 4.252 50 10 GICARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCc1ccc(OC)cc1 ZINC000100111161 208371195 /nfs/dbraw/zinc/37/11/95/208371195.db2.gz GCNIJGGROXPCLG-HMMYKYKNSA-N 0 0 381.451 4.053 50 10 GICARN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000100163341 208373179 /nfs/dbraw/zinc/37/31/79/208373179.db2.gz PITAWABLJDXREC-SFQUDFHCSA-N 0 0 380.360 4.089 50 10 GICARN Cc1ccc(C(=O)c2ccccc2)c(NC=Cc2nnnn2-c2ccccc2)c1 ZINC000102532064 208406271 /nfs/dbraw/zinc/40/62/71/208406271.db2.gz SNGNBZCZYKAOPH-PFONDFGASA-N 0 0 381.439 4.285 50 10 GICARN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccccc1 ZINC000001011241 208489862 /nfs/dbraw/zinc/48/98/62/208489862.db2.gz ZUVVSJROYVZGTF-VBKFSLOCSA-N 0 0 386.473 4.056 50 10 GICARN COc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S ZINC000001249243 208490806 /nfs/dbraw/zinc/49/08/06/208490806.db2.gz FUXIBYMXKRMPPF-WJDWOHSUSA-N 0 0 387.482 4.118 50 10 GICARN CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=N)S1 ZINC000005150635 208720616 /nfs/dbraw/zinc/72/06/16/208720616.db2.gz KSSBYUIITDONKU-BDNIKMBYSA-N 0 0 395.513 4.034 50 10 GICARN CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000227486629 209000780 /nfs/dbraw/zinc/00/07/80/209000780.db2.gz PQCBAEKHVSITLM-CVDCTZTESA-N 0 0 387.439 4.428 50 10 GICARN S=C(NCc1ccco1)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000006339252 220931035 /nfs/dbraw/zinc/93/10/35/220931035.db2.gz ZGZLZCYBSVZOGX-UHFFFAOYSA-N 0 0 380.469 4.085 50 10 GICARN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc1 ZINC000000706365 570219074 /nfs/dbraw/zinc/21/90/74/570219074.db2.gz XBHGAIGVEQYRLJ-HXUWFJFHSA-N 0 0 385.508 4.037 50 10 GICARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1cccc(C)c1 ZINC000048345501 570240775 /nfs/dbraw/zinc/24/07/75/570240775.db2.gz YTQPIGHUDZUJST-UHFFFAOYSA-N 0 0 390.270 4.149 50 10 GICARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1cc2c(cc1Cl)OCO2 ZINC000006096662 570242839 /nfs/dbraw/zinc/24/28/39/570242839.db2.gz BMOZIHXGAPERIA-GIDUJCDVSA-N 0 0 376.796 4.290 50 10 GICARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1cccc(F)c1 ZINC000006129779 570275774 /nfs/dbraw/zinc/27/57/74/570275774.db2.gz UCNKBYGZQOKHGF-UHFFFAOYSA-N 0 0 384.480 4.214 50 10 GICARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000102988896 570293657 /nfs/dbraw/zinc/29/36/57/570293657.db2.gz SIZWDJIHABLBSP-LZNRXBQRSA-N 0 0 376.481 4.314 50 10 in-vitro GICARN CCOc1ccc(-c2ccc(/C=C3/SC(=S)N(C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000002999092 570325141 /nfs/dbraw/zinc/32/51/41/570325141.db2.gz RSRNGSJFUSEQIN-OQLLNIDSSA-N 0 0 390.442 4.085 50 10 GICARN CCOC(=O)c1c2ccc(C[NH+](C)C)c([O-])c2sc1NC(=O)c1ccccc1 ZINC000003079277 570327572 /nfs/dbraw/zinc/32/75/72/570327572.db2.gz UTCBMPFTTVZDAJ-UHFFFAOYSA-N 0 0 398.484 4.098 50 10 GICARN Cc1oc2c(C)c([O-])c(C[NH+](C)C)cc2c(=O)c1-c1cnn(-c2ccccc2)c1 ZINC000004172024 570360849 /nfs/dbraw/zinc/36/08/49/570360849.db2.gz NTHSIVCAFSRNGA-UHFFFAOYSA-N 0 0 389.455 4.030 50 10 GICARN COc1ccc(CCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000604405486 570361834 /nfs/dbraw/zinc/36/18/34/570361834.db2.gz OSOVQCCVDNDYRH-UHFFFAOYSA-N 0 0 381.431 4.464 50 10 GICARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1cccc(Cl)c1 ZINC000004478021 570376822 /nfs/dbraw/zinc/37/68/22/570376822.db2.gz DILBBKFTZHHJQS-VIZOYTHASA-N 0 0 375.858 4.475 50 10 GICARN COCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S ZINC000004653913 570389684 /nfs/dbraw/zinc/38/96/84/570389684.db2.gz PJDHMNIYGOIZMP-UYRXBGFRSA-N 0 0 399.537 4.422 50 10 GICARN CCN(CC)c1ccc([C@H]2C(C(=O)OC)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004735540 570399465 /nfs/dbraw/zinc/39/94/65/570399465.db2.gz VHAHUFPKRVMFMV-NRFANRHFSA-N 0 0 390.487 4.344 50 10 GICARN Cc1c(-c2[nH]nc(N)c2N=Nc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000252638160 570420037 /nfs/dbraw/zinc/42/00/37/570420037.db2.gz XZTKZLAOLSSXTD-UHFFFAOYSA-N 0 0 387.447 4.181 50 10 GICARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccccc2C)C1=O ZINC000027229673 570432500 /nfs/dbraw/zinc/43/25/00/570432500.db2.gz VCNPRSNVRDYLPB-FBRLRESOSA-N 0 0 394.521 4.488 50 10 GICARN COC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)ccc1Cl ZINC000005601303 570448450 /nfs/dbraw/zinc/44/84/50/570448450.db2.gz JEBIMMJOUTZHSJ-BOPFTXTBSA-N 0 0 383.835 4.154 50 10 GICARN Nc1ccc(-n2nc(OCc3ccc(F)cc3)nc2-c2cccc(F)c2)cc1 ZINC000035808406 570454534 /nfs/dbraw/zinc/45/45/34/570454534.db2.gz JVFSXDAPBSYORR-UHFFFAOYSA-N 0 0 378.382 4.374 50 10 GICARN COc1ccc(C=C2SC(=S)NC2=O)cc1OCc1ccccc1Cl ZINC000005165844 570484960 /nfs/dbraw/zinc/48/49/60/570484960.db2.gz BUYSOKSZHXKVLC-CXUHLZMHSA-N 0 0 391.901 4.416 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)cc1 ZINC000054361156 570501258 /nfs/dbraw/zinc/50/12/58/570501258.db2.gz MZZYLZUENQWBGT-BOPFTXTBSA-N 0 0 379.466 4.044 50 10 GICARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2)C12C(=O)c1ccccc1C2=O ZINC000022781087 570538940 /nfs/dbraw/zinc/53/89/40/570538940.db2.gz LTUQYWGSUQFIAA-VQTJNVASSA-N 0 0 397.386 4.257 50 10 GICARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000005046892 570541138 /nfs/dbraw/zinc/54/11/38/570541138.db2.gz PPMWCCMDBSXZCG-SNUQEOBHSA-N 0 0 395.311 4.467 50 10 GICARN CCOc1ccc(N2C(=O)C(=Cc3ccc(N(CC)CC)cc3)NC2=S)cc1 ZINC000009189155 570551270 /nfs/dbraw/zinc/55/12/70/570551270.db2.gz GMGWLIZIJBKKAY-HMMYKYKNSA-N 0 0 395.528 4.194 50 10 GICARN COCCNc1cc(N2CCC(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006738018 570562547 /nfs/dbraw/zinc/56/25/47/570562547.db2.gz JOXPAXHOMBKJRA-UHFFFAOYSA-N 0 0 391.471 4.334 50 10 GICARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(F)cc2)cc1 ZINC000006804315 570607968 /nfs/dbraw/zinc/60/79/68/570607968.db2.gz FETBUYZLIXFJEQ-UHFFFAOYSA-N 0 0 382.435 4.093 50 10 aggregator GICARN COc1ccc(C)cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000006830406 570629236 /nfs/dbraw/zinc/62/92/36/570629236.db2.gz SMRYFAQFOZDABC-UHFFFAOYSA-N 0 0 392.455 4.207 50 10 GICARN COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000036348674 570631016 /nfs/dbraw/zinc/63/10/16/570631016.db2.gz JZRNRQPWRJPEMV-NRFANRHFSA-N 0 0 384.426 4.476 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(OCc3cccc(OC)c3)cc2)SC1=S ZINC000006950923 570721318 /nfs/dbraw/zinc/72/13/18/570721318.db2.gz VWFFNNRPTZWOIR-PDGQHHTCSA-N 0 0 385.510 4.495 50 10 GICARN CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2c(C[NH+](C)C)c1[O-] ZINC000000934361 570727394 /nfs/dbraw/zinc/72/73/94/570727394.db2.gz NVCXJOMKWUGCGR-UHFFFAOYSA-N 0 0 395.455 4.217 50 10 GICARN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000000976744 570742036 /nfs/dbraw/zinc/74/20/36/570742036.db2.gz JCQVGJNLXNZRKJ-RGEXLXHISA-N 0 0 382.485 4.176 50 10 GICARN CCCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000005825167 570795113 /nfs/dbraw/zinc/79/51/13/570795113.db2.gz VWZWHMPGDFGIDE-DTQAZKPQSA-N 0 0 393.530 4.020 50 10 GICARN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3nc(C)c(C)nc3c2)cc1 ZINC000032772497 570805761 /nfs/dbraw/zinc/80/57/61/570805761.db2.gz JUKUGEKOWUZWBQ-UHFFFAOYSA-N 0 0 376.504 4.365 50 10 GICARN O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc(I)o1 ZINC000004662543 570812021 /nfs/dbraw/zinc/81/20/21/570812021.db2.gz ZIZNERDVZAAESN-YFHOEESVSA-N 0 0 382.128 4.005 50 10 GICARN Cc1cccc(OCCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000004677101 570823282 /nfs/dbraw/zinc/82/32/82/570823282.db2.gz VBNCFLDSXAGXJT-AQTBWJFISA-N 0 0 385.510 4.332 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=N)S1 ZINC000033149738 570829101 /nfs/dbraw/zinc/82/91/01/570829101.db2.gz LAVSXSFRLVRMBK-WZBMNHFVSA-N 0 0 395.463 4.262 50 10 GICARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(Br)o3)C2=N)S1 ZINC000004545598 570857071 /nfs/dbraw/zinc/85/70/71/570857071.db2.gz OGMDANAAFSSIKH-RNQVEVKNSA-N 0 0 395.282 4.242 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)NC(C)C)n2Cc2ccccc2)cc1 ZINC000044086306 570863504 /nfs/dbraw/zinc/86/35/04/570863504.db2.gz CBDGDUDVSGWXOT-UHFFFAOYSA-N 0 0 395.528 4.224 50 10 GICARN CN1c2ccccc2C(N=NC(=O)C(O)(c2ccccc2)c2ccccc2)C1=O ZINC000004553229 570880196 /nfs/dbraw/zinc/88/01/96/570880196.db2.gz DNPVGBKHUGNHDT-OCOZRVBESA-N 0 0 385.423 4.430 50 10 GICARN O=C(Nc1cccc2cnccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000047325359 570953004 /nfs/dbraw/zinc/95/30/04/570953004.db2.gz XOPXUTMKELPGCV-GOSISDBHSA-N 0 0 377.444 4.154 50 10 GICARN COc1ccc(O)c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1 ZINC000033318217 570973380 /nfs/dbraw/zinc/97/33/80/570973380.db2.gz FMDCXMZCTCKJNA-NVNXTCNLSA-N 0 0 377.874 4.460 50 10 GICARN COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000002154501 570973491 /nfs/dbraw/zinc/97/34/91/570973491.db2.gz KHHJEQHMCNCFIK-HNNXBMFYSA-N 0 0 379.456 4.406 50 10 GICARN COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000004808101 570997222 /nfs/dbraw/zinc/99/72/22/570997222.db2.gz RCQWTHUXGDCZQA-XNTDXEJSSA-N 0 0 379.890 4.448 50 10 GICARN CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000002252218 817381378 /nfs/dbraw/zinc/38/13/78/817381378.db2.gz PLQISDXXCMTSGX-FRRXJZEGSA-N 0 0 394.587 4.131 50 10 GICARN O=C1Nc2ccccc2/C1=C1\SC(=S)N(Cc2ccccc2Cl)C1=O ZINC000002393903 817386586 /nfs/dbraw/zinc/38/65/86/817386586.db2.gz UWWBLPKBEMYOIG-CCEZHUSRSA-N 0 0 386.885 4.064 50 10 GICARN COc1ccc(N2CC[C@@H](CNC(=S)Nc3ccc(F)c(Cl)c3)C2)cc1 ZINC000003051067 817415596 /nfs/dbraw/zinc/41/55/96/817415596.db2.gz MWDVYXSXMJTYEX-ZDUSSCGKSA-N 0 0 393.915 4.301 50 10 GICARN COc1ccc(N2CC[C@H](CNC(=S)Nc3ccc(C)c(Cl)c3)C2)cc1 ZINC000003051047 817415644 /nfs/dbraw/zinc/41/56/44/817415644.db2.gz ZZVXETYRUVLUPI-OAHLLOKOSA-N 0 0 389.952 4.470 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)COc3ncnc4sccc43)c2C)cc1 ZINC000003503710 817471840 /nfs/dbraw/zinc/47/18/40/817471840.db2.gz SLJYTTKKVWUVAS-UHFFFAOYSA-N 0 0 393.468 4.369 50 10 GICARN CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)cc1 ZINC000004150590 817506908 /nfs/dbraw/zinc/50/69/08/817506908.db2.gz QFCTWYKCAUACBG-BVJANGARSA-N 0 0 376.485 4.433 50 10 GICARN Cc1cc(C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c(C)n1-c1ccccc1 ZINC000004297243 817518323 /nfs/dbraw/zinc/51/83/23/817518323.db2.gz BDKRZJMYYAZBSR-DFNIBXOVSA-N 0 0 393.483 4.215 50 10 GICARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(Cl)cc4)C3=N)S2)cc1 ZINC000002998553 209118748 /nfs/dbraw/zinc/11/87/48/209118748.db2.gz KZTVFOWOOWPHMS-ACXWOISZSA-N 0 0 380.860 4.316 50 10 GICARN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(O)c(Br)c1 ZINC000032790806 206256439 /nfs/dbraw/zinc/25/64/39/206256439.db2.gz NGKBZAOVEKDTAM-ZROIWOOFSA-N 0 0 381.295 4.047 50 10 GICARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C([N+](=O)[O-])[C@@H]2c1ccccc1 ZINC000017293399 206257913 /nfs/dbraw/zinc/25/79/13/206257913.db2.gz KTUUHORZVGWSQT-PWRODBHTSA-N 0 0 399.402 4.005 50 10 GICARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)cc1 ZINC000020411796 206296050 /nfs/dbraw/zinc/29/60/50/206296050.db2.gz WBDTUABZFUZSHE-UHFFFAOYSA-N 0 0 379.456 4.469 50 10 GICARN COc1ccccc1[C@H](NC(=O)C(C)C)c1cc(Cl)c2cccnc2c1O ZINC000000801082 206323368 /nfs/dbraw/zinc/32/33/68/206323368.db2.gz AIHIZRKOSJIJRP-SFHVURJKSA-N 0 0 384.863 4.464 50 10 GICARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(F)c1 ZINC000001045158 206345882 /nfs/dbraw/zinc/34/58/82/206345882.db2.gz ISTMKGZXMIARJB-VGOFMYFVSA-N 0 0 378.381 4.279 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC ZINC000001125662 206355663 /nfs/dbraw/zinc/35/56/63/206355663.db2.gz BJOVCHVKLQSUIO-PDGQHHTCSA-N 0 0 385.510 4.495 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)SC2=S)cc1 ZINC000001476258 206384102 /nfs/dbraw/zinc/38/41/02/206384102.db2.gz YBIDUQFDZRPZHO-YVLHZVERSA-N 0 0 387.482 4.118 50 10 GICARN O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc(Br)cc1 ZINC000001476263 206384920 /nfs/dbraw/zinc/38/49/20/206384920.db2.gz RDQOLWVCRPFWBN-JYRVWZFOSA-N 0 0 377.288 4.250 50 10 GICARN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000001163231 206362797 /nfs/dbraw/zinc/36/27/97/206362797.db2.gz VEHSEFYFOMCICT-VVTMIQRTSA-N 0 0 392.411 4.029 50 10 GICARN COc1ccc(N2CCn3c(nc4cc(NC(=O)c5ccccc5)ccc43)C2)cc1 ZINC000002337861 206410115 /nfs/dbraw/zinc/41/01/15/206410115.db2.gz GQFLNRCPULYVKP-UHFFFAOYSA-N 0 0 398.466 4.317 50 10 GICARN Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(C)n1-c1ccccc1 ZINC000002629305 206424431 /nfs/dbraw/zinc/42/44/31/206424431.db2.gz WNRALGMZHRROSS-MRXNPFEDSA-N 0 0 388.467 4.229 50 10 GICARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000002971216 206449414 /nfs/dbraw/zinc/44/94/14/206449414.db2.gz ZUAFBVFVBNGDKV-XKZIYDEJSA-N 0 0 399.519 4.481 50 10 GICARN CCOc1ccccc1/C=C1\SC(=S)N(CCOc2ccccc2)C1=O ZINC000009188768 206775926 /nfs/dbraw/zinc/77/59/26/206775926.db2.gz MDGHNQUQNMYWDC-JXAWBTAJSA-N 0 0 385.510 4.366 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000014009200 207007627 /nfs/dbraw/zinc/00/76/27/207007627.db2.gz AHOQYXFMEJIHSV-AQTBWJFISA-N 0 0 392.411 4.171 50 10 GICARN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000014009504 207007861 /nfs/dbraw/zinc/00/78/61/207007861.db2.gz QLYAEKAVCZYZRC-MFOYZWKCSA-N 0 0 384.863 4.016 50 10 GICARN Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1F ZINC000016805335 207078953 /nfs/dbraw/zinc/07/89/53/207078953.db2.gz OJZSMSGONYBLAK-YVLHZVERSA-N 0 0 395.484 4.476 50 10 GICARN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CN1CCCCC1 ZINC000019607818 207144057 /nfs/dbraw/zinc/14/40/57/207144057.db2.gz CLRRTMYFBOKORA-GXDHUFHOSA-N 0 0 397.363 4.094 50 10 GICARN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[NH+](C)C)c2oc1C(F)(F)F ZINC000019790365 207160721 /nfs/dbraw/zinc/16/07/21/207160721.db2.gz FEEBAKPAZARPPP-UHFFFAOYSA-N 0 0 393.361 4.255 50 10 GICARN Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)Nc1ccc(C)cc1C ZINC000019793996 207162276 /nfs/dbraw/zinc/16/22/76/207162276.db2.gz ZUSCIHIGBPDVHI-UHFFFAOYSA-N 0 0 394.471 4.148 50 10 GICARN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)ccc1O ZINC000020070662 207178210 /nfs/dbraw/zinc/17/82/10/207178210.db2.gz STUHSFOQOSLBEY-WZONZLPQSA-N 0 0 388.423 4.349 50 10 GICARN CCCOC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 ZINC000020289849 207186827 /nfs/dbraw/zinc/18/68/27/207186827.db2.gz GHMKZZMBDQABRV-UHFFFAOYSA-N 0 0 381.501 4.004 50 10 GICARN Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c(C)n1-c1ccccc1 ZINC000024295224 207290863 /nfs/dbraw/zinc/29/08/63/207290863.db2.gz HZCGTHXXOUOZAY-UHFFFAOYSA-N 0 0 377.469 4.391 50 10 GICARN CCc1cc([O-])c(C[NH+](C)C)c2oc(C)c(Oc3ccccc3[N+](=O)[O-])c(=O)c12 ZINC000025326340 207302959 /nfs/dbraw/zinc/30/29/59/207302959.db2.gz ATLITFXZVJXQQM-UHFFFAOYSA-N 0 0 398.415 4.132 50 10 GICARN O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O ZINC000027834314 207332338 /nfs/dbraw/zinc/33/23/38/207332338.db2.gz CAIURDQEOIMIME-HXUWFJFHSA-N 0 0 387.395 4.292 50 10 GICARN CC1CCC(Oc2cc(CNC(=O)N(C)Cc3ccccc3O)ccn2)CC1 ZINC000095959556 208244823 /nfs/dbraw/zinc/24/48/23/208244823.db2.gz VADKSRGNIAHKAY-UHFFFAOYSA-N 0 0 383.492 4.086 50 10 GICARN CCN(Cc1ccccc1)c1ccc(CNCc2nnc(C(C)C)n2C)cc1 ZINC000096003719 208251735 /nfs/dbraw/zinc/25/17/35/208251735.db2.gz ZPQUMDQQWOAKSL-UHFFFAOYSA-N 0 0 377.536 4.255 50 10 GICARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3nccn3CC(F)(F)F)S2)c1 ZINC000096316204 208307146 /nfs/dbraw/zinc/30/71/46/208307146.db2.gz ZKKGXGARGPMCJP-MDWZMJQESA-N 0 0 380.395 4.145 50 10 GICARN O=[N+]([O-])c1ccc([C@H](Nc2ncccc2O)c2ccc3cccnc3c2O)cc1 ZINC000049564996 208454293 /nfs/dbraw/zinc/45/42/93/208454293.db2.gz XUWBUPJKQGWMNX-SFHVURJKSA-N 0 0 388.383 4.151 50 10 GICARN COc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)c1 ZINC000006007310 208677034 /nfs/dbraw/zinc/67/70/34/208677034.db2.gz CJGPERAIPQCBMW-LICLKQGHSA-N 0 0 387.482 4.118 50 10 GICARN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C/c1cccc(OC)c1 ZINC000005864966 208721707 /nfs/dbraw/zinc/72/17/07/208721707.db2.gz RKCNFLXBXFQVSO-XDHOZWIPSA-N 0 0 395.480 4.294 50 10 GICARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000020149651 208808536 /nfs/dbraw/zinc/80/85/36/208808536.db2.gz GJVVUSQHWVZEJW-IDUWFGFVSA-N 0 0 380.450 4.302 50 10 GICARN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(C)C2=O)c1C ZINC000096477272 209016314 /nfs/dbraw/zinc/01/63/14/209016314.db2.gz IASBUBWKXMDQRE-BOPFTXTBSA-N 0 0 381.501 4.062 50 10 GICARN O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc([N+](=O)[O-])cc1O ZINC000009579648 221086508 /nfs/dbraw/zinc/08/65/08/221086508.db2.gz YQVPNVUQVQYQLT-AWEZNQCLSA-N 0 0 399.453 4.415 50 10 GICARN COc1ccc(N2CCN(C(=O)c3ccc(-c4ccco4)cc3)[C@@H](C)C2)cc1 ZINC000072429323 136170117 /nfs/dbraw/zinc/17/01/17/136170117.db2.gz RULSFUUMQBHFMS-KRWDZBQOSA-N 0 0 376.456 4.306 50 10 GICARN O=c1oc2c(ccc3c2CN(c2ccc4c(c2)OCCO4)CO3)c2ccccc12 ZINC000002158971 136193364 /nfs/dbraw/zinc/19/33/64/136193364.db2.gz SRGMPVZLTIIYHR-UHFFFAOYSA-N 0 0 387.391 4.074 50 10 GICARN COc1ccc(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)cc1 ZINC000067285478 536702346 /nfs/dbraw/zinc/70/23/46/536702346.db2.gz LWMVUCSQFCPDOJ-UHFFFAOYSA-N 0 0 399.498 4.040 50 10 GICARN Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(C)n1-c1ccc(N(C)C)cc1 ZINC000003885710 570353514 /nfs/dbraw/zinc/35/35/14/570353514.db2.gz WOLOCDHBCUJFSH-UHFFFAOYSA-N 0 0 380.332 4.472 50 10 GICARN CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000004043605 570355608 /nfs/dbraw/zinc/35/56/08/570355608.db2.gz JKGCBZXHNUIVLO-YWZLYKJASA-N 0 0 387.524 4.140 50 10 GICARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ccc1Cl ZINC000010906978 570362767 /nfs/dbraw/zinc/36/27/67/570362767.db2.gz DPQXKHXMLWSQFB-UHFFFAOYSA-N 0 0 379.287 4.102 50 10 GICARN O=C(c1ccccc1Cl)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000004248180 570364197 /nfs/dbraw/zinc/36/41/97/570364197.db2.gz GSVQHLGWAVODTC-IBGZPJMESA-N 0 0 377.831 4.432 50 10 GICARN N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000004664750 570390839 /nfs/dbraw/zinc/39/08/39/570390839.db2.gz DVWSCZCCWAHRAP-RQLGPDLJSA-N 0 0 390.346 4.128 50 10 GICARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000010962500 570397927 /nfs/dbraw/zinc/39/79/27/570397927.db2.gz GFEQEEMTWJGMGM-UHFFFAOYSA-N 0 0 375.472 4.203 50 10 GICARN O=C1OC2(CCCCC2)OC(=O)C1=CNc1nc(-c2ccc(F)cc2)cs1 ZINC000035592637 570398758 /nfs/dbraw/zinc/39/87/58/570398758.db2.gz XBFJPTYMPQSIDC-UHFFFAOYSA-N 0 0 388.420 4.005 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(SCc4ccco4)o3)C2=N)S1 ZINC000005025812 570399468 /nfs/dbraw/zinc/39/94/68/570399468.db2.gz BQLBXGYOYZGYER-LRVNMVSOSA-N 0 0 386.458 4.194 50 10 GICARN O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1-c1ccccc1 ZINC000002207304 570444851 /nfs/dbraw/zinc/44/48/51/570444851.db2.gz FHQPSOUMZFGLMM-AQTBWJFISA-N 0 0 391.427 4.288 50 10 GICARN COC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1Cl ZINC000005601827 570448640 /nfs/dbraw/zinc/44/86/40/570448640.db2.gz AXYJJTWNZMMXTO-WQRHYEAKSA-N 0 0 397.862 4.462 50 10 GICARN Cc1cc(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)c(C)n1-c1cccc(C)c1 ZINC000131401454 570465794 /nfs/dbraw/zinc/46/57/94/570465794.db2.gz PAQVPXWAXDUOKZ-IBGZPJMESA-N 0 0 394.437 4.178 50 10 GICARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCC(C)CC2)cc1 ZINC000000832351 570486559 /nfs/dbraw/zinc/48/65/59/570486559.db2.gz AGGOMOFLGGOOPH-ZJKHUDDUSA-N 0 0 399.535 4.283 50 10 GICARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(c2ccc3c(c2)OCCO3)CO1 ZINC000005489993 570614285 /nfs/dbraw/zinc/61/42/85/570614285.db2.gz NPKPRRBNGZHMAD-UHFFFAOYSA-N 0 0 399.830 4.137 50 10 GICARN O=C(c1cccnc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O ZINC000004614080 570670062 /nfs/dbraw/zinc/67/00/62/570670062.db2.gz YLWVSTCJWSLRLA-LJQANCHMSA-N 0 0 377.831 4.432 50 10 GICARN CCOC(=O)c1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000006901851 570697011 /nfs/dbraw/zinc/69/70/11/570697011.db2.gz VPYVEKADPCJIAA-UHFFFAOYSA-N 0 0 385.419 4.250 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(OC)c1 ZINC000013598692 570761886 /nfs/dbraw/zinc/76/18/86/570761886.db2.gz WRQZNJFBXJYKIP-SXGWCWSVSA-N 0 0 375.446 4.249 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000013602660 570761921 /nfs/dbraw/zinc/76/19/21/570761921.db2.gz WITLRGDPMQYEJW-SXGWCWSVSA-N 0 0 375.446 4.249 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)ccc1O ZINC000013689391 570775241 /nfs/dbraw/zinc/77/52/41/570775241.db2.gz GPERYIHVTLJPMH-YVLHZVERSA-N 0 0 387.482 4.205 50 10 GICARN CC(=O)c1cccc(N2C(=O)C(=Cc3cnc4ccccc4n3)SC2=S)c1 ZINC000013724423 570781407 /nfs/dbraw/zinc/78/14/07/570781407.db2.gz FJNBXRNCWJSSGP-VCHYOVAHSA-N 0 0 391.477 4.238 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1OC ZINC000013784960 570790395 /nfs/dbraw/zinc/79/03/95/570790395.db2.gz UOGYHNZZJKFFMJ-AQTBWJFISA-N 0 0 385.510 4.148 50 10 GICARN CCCCN1C(=O)/C(=C/C=C\c2ccccc2)C(=O)N(Cc2ccco2)C1=O ZINC000005825113 570795155 /nfs/dbraw/zinc/79/51/55/570795155.db2.gz CYDBACUDORBDOG-PGRWIBNWSA-N 0 0 378.428 4.010 50 10 GICARN O=C1/C(=C\c2cccnc2)SC(=S)N1c1cccc(Br)c1 ZINC000005855393 570797332 /nfs/dbraw/zinc/79/73/32/570797332.db2.gz GJVLFZKLXCDBEU-NTUHNPAUSA-N 0 0 377.288 4.250 50 10 GICARN CCCN(CCC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000005863153 570798598 /nfs/dbraw/zinc/79/85/98/570798598.db2.gz HLNAOJCRKDKXEN-JWGURIENSA-N 0 0 391.515 4.391 50 10 GICARN Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2Cc2ccco2)cc1 ZINC000044086185 570862746 /nfs/dbraw/zinc/86/27/46/570862746.db2.gz AQQRNWKRRSCGKI-UHFFFAOYSA-N 0 0 381.501 4.214 50 10 GICARN N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000004724843 570865348 /nfs/dbraw/zinc/86/53/48/570865348.db2.gz YGAWAUHFRVMHCO-SRRKIXIOSA-N 0 0 377.473 4.367 50 10 GICARN COc1cccc(C2=NC(C)(C)N[C@H](c3cc(Br)ccc3O)C2)c1 ZINC000004729715 570884476 /nfs/dbraw/zinc/88/44/76/570884476.db2.gz BEJCJRYKASXBQI-KRWDZBQOSA-N 0 0 389.293 4.423 50 10 GICARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N(C)Cc1ccccc1O ZINC000042117289 570886028 /nfs/dbraw/zinc/88/60/28/570886028.db2.gz JSILGUIENCPLOL-UHFFFAOYSA-N 0 0 383.879 4.179 50 10 GICARN Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1-c1ccc(Cl)cc1 ZINC000032911268 570914741 /nfs/dbraw/zinc/91/47/41/570914741.db2.gz QPGPNVPDMFUVPX-UHFFFAOYSA-N 0 0 391.862 4.284 50 10 GICARN O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(F)cc1 ZINC000001262315 570951067 /nfs/dbraw/zinc/95/10/67/570951067.db2.gz YIVHITCIOIPLOT-PTNGSMBKSA-N 0 0 390.461 4.039 50 10 GICARN CCc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004745487 570960362 /nfs/dbraw/zinc/96/03/62/570960362.db2.gz TZOPWCKRAURFKS-FOWTUZBSSA-N 0 0 386.498 4.072 50 10 GICARN CN(c1ccc(CNC(=O)c2cnc3ccccc3c2O)cc1)C1CCCCC1 ZINC000083868088 570974681 /nfs/dbraw/zinc/97/46/81/570974681.db2.gz WDLFVXCXKWAGMF-UHFFFAOYSA-N 0 0 389.499 4.227 50 10 GICARN COc1ccc(N2C(=O)c3ccccc3N(C)[C@@H]2c2cccc(OC)c2O)cc1 ZINC000012735272 570977339 /nfs/dbraw/zinc/97/73/39/570977339.db2.gz CCZNHWLMGXKTAT-QFIPXVFZSA-N 0 0 390.439 4.205 50 10 GICARN O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 ZINC000004689928 570983642 /nfs/dbraw/zinc/98/36/42/570983642.db2.gz KXBALNFAYVHLCK-QFIPXVFZSA-N 0 0 389.455 4.224 50 10 GICARN O=C(c1c(C(F)(F)F)oc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000004776566 570984262 /nfs/dbraw/zinc/98/42/62/570984262.db2.gz GPJGKFNNROMNJQ-UHFFFAOYSA-N 0 0 388.272 4.444 50 10 GICARN CCCCNc1nc(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc21 ZINC000002941578 817407335 /nfs/dbraw/zinc/40/73/35/817407335.db2.gz NVRWIEATTGREGW-UHFFFAOYSA-N 0 0 383.473 4.228 50 10 GICARN COc1ccc(C2(N(C(C)=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000004996294 817545341 /nfs/dbraw/zinc/54/53/41/817545341.db2.gz HBTGRKMEUCKRQY-UHFFFAOYSA-N 0 0 385.419 4.023 50 10 GICARN CN(C)c1ccc(C=C2SC(NCCc3cc4ccccc4[nH]3)=NC2=O)cc1 ZINC000001414884 209115571 /nfs/dbraw/zinc/11/55/71/209115571.db2.gz XZSXAEBFVUBXNQ-DEDYPNTBSA-N 0 0 390.512 4.037 50 10 GICARN COc1cccc(Cn2c3ccccc3nc2-c2cccc(OC)c2O)c1O ZINC000000811071 209111994 /nfs/dbraw/zinc/11/19/94/209111994.db2.gz NUQXJJBQDJMSBH-UHFFFAOYSA-N 0 0 376.412 4.180 50 10 GICARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CN1CCCCC1 ZINC000033304168 206257095 /nfs/dbraw/zinc/25/70/95/206257095.db2.gz CLRRTMYFBOKORA-UVTDQMKNSA-N 0 0 397.363 4.094 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3OC)c(C)oc21 ZINC000020438630 206295964 /nfs/dbraw/zinc/29/59/64/206295964.db2.gz CEXUXZXFAAECPA-UHFFFAOYSA-N 0 0 383.444 4.450 50 10 GICARN COc1cccc(Oc2coc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)c1 ZINC000020442504 206296232 /nfs/dbraw/zinc/29/62/32/206296232.db2.gz HRCJEWAPAJLIRA-UHFFFAOYSA-N 0 0 381.428 4.285 50 10 GICARN CCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccccc3)n2)SC1=S ZINC000096662760 206302121 /nfs/dbraw/zinc/30/21/21/206302121.db2.gz AJYPSTBRCRHWMT-ZROIWOOFSA-N 0 0 389.527 4.049 50 10 GICARN Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(F)cc1 ZINC000000857522 206329221 /nfs/dbraw/zinc/32/92/21/206329221.db2.gz IICOUPVMVOIBNQ-UHFFFAOYSA-N 0 0 383.419 4.377 50 10 GICARN CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(C[NH+](CC)CC)c1[O-] ZINC000000870794 206330796 /nfs/dbraw/zinc/33/07/96/206330796.db2.gz ORWZCPHFOPHWOH-UHFFFAOYSA-N 0 0 391.471 4.446 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000000974965 206338669 /nfs/dbraw/zinc/33/86/69/206338669.db2.gz FHKYFIJYBKISJW-XNTDXEJSSA-N 0 0 389.885 4.390 50 10 GICARN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O ZINC000001008434 206340706 /nfs/dbraw/zinc/34/07/06/206340706.db2.gz UCIFBTCHBLWIKE-RSYJBZMQSA-N 0 0 383.311 4.350 50 10 GICARN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000001108167 206354182 /nfs/dbraw/zinc/35/41/82/206354182.db2.gz MMILPRHBEBRBJC-OVCLIPMQSA-N 0 0 377.874 4.460 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(CCc3nc4ccccc4o3)C2=O)cc1 ZINC000010232942 206376200 /nfs/dbraw/zinc/37/62/00/206376200.db2.gz LPCIYWUXKFAFQL-SFQUDFHCSA-N 0 0 396.493 4.280 50 10 GICARN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000001163229 206361626 /nfs/dbraw/zinc/36/16/26/206361626.db2.gz VEHSEFYFOMCICT-RVAQLADHSA-N 0 0 392.411 4.029 50 10 GICARN O=C(NC1=NC(=O)/C(=C\c2ccccc2)S1)c1ccc(Cl)c(Cl)c1 ZINC000001183970 206363444 /nfs/dbraw/zinc/36/34/44/206363444.db2.gz VFQBPNPRYTYELO-RIYZIHGNSA-N 0 0 377.252 4.394 50 10 GICARN O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1cccs1 ZINC000001182589 206364088 /nfs/dbraw/zinc/36/40/88/206364088.db2.gz LCQYOZRXYQERCS-FOWTUZBSSA-N 0 0 389.933 4.194 50 10 GICARN COc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000001216419 206368277 /nfs/dbraw/zinc/36/82/77/206368277.db2.gz UNCSTXORGBARFG-OAQYLSRUSA-N 0 0 384.435 4.468 50 10 GICARN CCc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc1 ZINC000001768368 206391692 /nfs/dbraw/zinc/39/16/92/206391692.db2.gz YGUGWXLWFQCVPF-DTQAZKPQSA-N 0 0 377.531 4.184 50 10 GICARN CN(C)c1ccc([C@H](CNC(=O)c2cccs2)N2CCc3ccccc32)cc1 ZINC000005098668 206591291 /nfs/dbraw/zinc/59/12/91/206591291.db2.gz WOJMRPDHWHXTQK-NRFANRHFSA-N 0 0 391.540 4.348 50 10 GICARN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000005172443 206596183 /nfs/dbraw/zinc/59/61/83/206596183.db2.gz CHRWMXRBUDOPES-NVNXTCNLSA-N 0 0 390.417 4.148 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3cccc(C(C)=O)c3)n2C)cc1 ZINC000007423645 206712348 /nfs/dbraw/zinc/71/23/48/206712348.db2.gz CADKTRMGJLMSOP-UHFFFAOYSA-N 0 0 395.484 4.029 50 10 GICARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000010906980 206818358 /nfs/dbraw/zinc/81/83/58/206818358.db2.gz ASJVMOPEVKMIKQ-UHFFFAOYSA-N 0 0 379.287 4.102 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000013590080 206982656 /nfs/dbraw/zinc/98/26/56/206982656.db2.gz HFVUEIKFKMSDJF-GZTJUZNOSA-N 0 0 387.482 4.118 50 10 GICARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000014099566 207010252 /nfs/dbraw/zinc/01/02/52/207010252.db2.gz PSHIYWSVKLUMMZ-BUHFOSPRSA-N 0 0 378.925 4.229 50 10 GICARN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000013881388 207003893 /nfs/dbraw/zinc/00/38/93/207003893.db2.gz LIOZYNNHCUMXMH-RGEXLXHISA-N 0 0 380.469 4.073 50 10 GICARN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000015011984 207040272 /nfs/dbraw/zinc/04/02/72/207040272.db2.gz ZUAFBVFVBNGDKV-LPYMAVHISA-N 0 0 399.519 4.481 50 10 GICARN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000015010605 207040640 /nfs/dbraw/zinc/04/06/40/207040640.db2.gz OLLSZFSMJRJQOZ-ZHZULCJRSA-N 0 0 394.496 4.452 50 10 GICARN COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)CC(C)C ZINC000019855464 207166931 /nfs/dbraw/zinc/16/69/31/207166931.db2.gz JIVUSRBYQPEDMS-UHFFFAOYSA-N 0 0 378.476 4.050 50 10 GICARN COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)C(C)C ZINC000020733108 207211689 /nfs/dbraw/zinc/21/16/89/207211689.db2.gz BOCZYFPXNLIYEX-UHFFFAOYSA-N 0 0 378.476 4.050 50 10 GICARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccc(F)cc2)C1=O ZINC000026779830 207318985 /nfs/dbraw/zinc/31/89/85/207318985.db2.gz ZDMKGQGMXPHXMO-QKIOLIMFSA-N 0 0 398.484 4.318 50 10 GICARN Cc1ccc(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1 ZINC000027531552 207326573 /nfs/dbraw/zinc/32/65/73/207326573.db2.gz XASFWAFBAWIRBJ-QGOAFFKASA-N 0 0 385.510 4.284 50 10 GICARN CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1 ZINC000027549454 207327208 /nfs/dbraw/zinc/32/72/08/207327208.db2.gz WIPCPYKBMKRPJK-UKTHSGLNSA-N 0 0 391.500 4.296 50 10 GICARN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000032909746 207419417 /nfs/dbraw/zinc/41/94/17/207419417.db2.gz DWYGGIFKFGIQMW-UHFFFAOYSA-N 0 0 380.517 4.182 50 10 GICARN Cc1cc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)c(C)n1-c1ccccn1 ZINC000089580068 208106163 /nfs/dbraw/zinc/10/61/63/208106163.db2.gz YGWWTUGJGSNQHN-UHFFFAOYSA-N 0 0 387.487 4.268 50 10 GICARN O=C(C[C@H]1OCCc2ccsc21)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000095409199 208179195 /nfs/dbraw/zinc/17/91/95/208179195.db2.gz XFTOQSJIWUSNRF-MRXNPFEDSA-N 0 0 390.468 4.100 50 10 GICARN CCCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000095479355 208194481 /nfs/dbraw/zinc/19/44/81/208194481.db2.gz IJILDIGSASOXAA-NRFANRHFSA-N 0 0 379.456 4.025 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000100176353 208374509 /nfs/dbraw/zinc/37/45/09/208374509.db2.gz XFQRBYZAOBRTBU-ZHZULCJRSA-N 0 0 377.440 4.271 50 10 GICARN CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000044085615 208443087 /nfs/dbraw/zinc/44/30/87/208443087.db2.gz WLDZBNXQZKUFAO-UHFFFAOYSA-N 0 0 393.512 4.260 50 10 GICARN Cc1cc(C(=O)OCC(=O)Nc2cccc(F)c2)c(C)n1-c1ccc(C)cc1 ZINC000003266717 208510255 /nfs/dbraw/zinc/51/02/55/208510255.db2.gz WORONBAFDMHEAZ-UHFFFAOYSA-N 0 0 380.419 4.337 50 10 GICARN CCN(CC)C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001908783 208499164 /nfs/dbraw/zinc/49/91/64/208499164.db2.gz LZZYXKUGSGCHCP-ICFOKQHNSA-N 0 0 390.574 4.317 50 10 GICARN Oc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 ZINC000102829020 208713712 /nfs/dbraw/zinc/71/37/12/208713712.db2.gz LJOPNTQDYQLILI-NQIIRXRSSA-N 0 0 393.830 4.389 50 10 GICARN Cc1cccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c1C ZINC000006132027 208722942 /nfs/dbraw/zinc/72/29/42/208722942.db2.gz NNEZEVWEGLFOMK-OQLLNIDSSA-N 0 0 388.539 4.205 50 10 GICARN CN1C(=O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S ZINC000001159438 220480453 /nfs/dbraw/zinc/48/04/53/220480453.db2.gz ZVJAHSJSFSZFHP-YBEGLDIGSA-N 0 0 386.454 4.005 50 10 GICARN CC(C)C[C@@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096113853 209010116 /nfs/dbraw/zinc/01/01/16/209010116.db2.gz GVMBIOQRRDQPAK-CYBMUJFWSA-N 0 0 380.396 4.310 50 10 GICARN CC(C)C[C@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096113854 209010139 /nfs/dbraw/zinc/01/01/39/209010139.db2.gz GVMBIOQRRDQPAK-ZDUSSCGKSA-N 0 0 380.396 4.310 50 10 GICARN Cc1ccccc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000007988917 221021674 /nfs/dbraw/zinc/02/16/74/221021674.db2.gz RKXHSFKAHXRTSE-OAQYLSRUSA-N 0 0 398.572 4.361 50 10 GICARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cnn(Cc2ccccc2)c1 ZINC000008769148 221056987 /nfs/dbraw/zinc/05/69/87/221056987.db2.gz PGYVEXKHKFKOAB-ZDLGFXPLSA-N 0 0 388.496 4.264 50 10 GICARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCCc3cc(OC(F)F)ccc32)c1C ZINC000065597271 136164245 /nfs/dbraw/zinc/16/42/45/136164245.db2.gz CTDPCEGQUODMAW-CYBMUJFWSA-N 0 0 390.430 4.460 50 10 GICARN COc1ccc(N2CCN(C(=O)c3cccc4c(Cl)cccc34)CC2)cc1 ZINC000095117365 136177834 /nfs/dbraw/zinc/17/78/34/136177834.db2.gz MRRNLIAHFWRWJS-UHFFFAOYSA-N 0 0 380.875 4.464 50 10 GICARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)S2)c1 ZINC000007165549 136195179 /nfs/dbraw/zinc/19/51/79/136195179.db2.gz GGECGGQMZFDXDU-XSFVSMFZSA-N 0 0 393.512 4.222 50 10 GICARN COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(O)c(O)c4)sc3n2)cc1 ZINC000012249710 570277709 /nfs/dbraw/zinc/27/77/09/570277709.db2.gz LVYPMFUFHCQJHY-UHFFFAOYSA-N 0 0 392.436 4.196 50 10 GICARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C)cc1C ZINC000002994605 570324234 /nfs/dbraw/zinc/32/42/34/570324234.db2.gz CHHOVEDCPGMQOZ-XKZIYDEJSA-N 0 0 399.519 4.481 50 10 GICARN CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000004043599 570355639 /nfs/dbraw/zinc/35/56/39/570355639.db2.gz JKGCBZXHNUIVLO-FOIQADDNSA-N 0 0 387.524 4.140 50 10 GICARN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccccc1 ZINC000004309982 570367038 /nfs/dbraw/zinc/36/70/38/570367038.db2.gz WVCHWZCQUZSPSC-UHFFFAOYSA-N 0 0 394.423 4.028 50 10 GICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)C([N+](=O)[O-])[C@H]2c1ccccc1 ZINC000004322599 570367789 /nfs/dbraw/zinc/36/77/89/570367789.db2.gz KTUUHORZVGWSQT-HKBOAZHASA-N 0 0 399.402 4.005 50 10 GICARN Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccccc3O)c12 ZINC000053915148 570423056 /nfs/dbraw/zinc/42/30/56/570423056.db2.gz MNXQEGLWWOWFIO-UHFFFAOYSA-N 0 0 379.441 4.238 50 10 GICARN Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(c2ccc(C)cc2)=NC1=O ZINC000005008837 570423582 /nfs/dbraw/zinc/42/35/82/570423582.db2.gz KJQNPHWCPFQKQS-PDGQHHTCSA-N 0 0 375.453 4.256 50 10 GICARN CN(Cc1ccccc1O)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000053916501 570439371 /nfs/dbraw/zinc/43/93/71/570439371.db2.gz CNTNBUFBLKEMQK-UHFFFAOYSA-N 0 0 375.472 4.119 50 10 GICARN Cc1cc(C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c(C)n1-c1cccc(C)c1 ZINC000131401656 570465999 /nfs/dbraw/zinc/46/59/99/570465999.db2.gz PAQVPXWAXDUOKZ-LJQANCHMSA-N 0 0 394.437 4.178 50 10 GICARN COc1cc([N+](=O)[O-])ccc1NN=Nc1ccccc1I ZINC000004951269 570498991 /nfs/dbraw/zinc/49/89/91/570498991.db2.gz KADFLKNUPOKHTH-UHFFFAOYSA-N 0 0 398.160 4.319 50 10 GICARN COc1cccc2ccc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)nc21 ZINC000054360774 570501142 /nfs/dbraw/zinc/50/11/42/570501142.db2.gz TYXGAPOJZYMDKY-BOPFTXTBSA-N 0 0 394.477 4.355 50 10 GICARN O=C(NCCO)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000015685066 570533245 /nfs/dbraw/zinc/53/32/45/570533245.db2.gz CNHARWGQUHJOIU-UHFFFAOYSA-N 0 0 382.423 4.203 50 10 GICARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1Cl ZINC000005023055 570730882 /nfs/dbraw/zinc/73/08/82/570730882.db2.gz TZXGCUXAQIFBKP-JXAWBTAJSA-N 0 0 381.859 4.255 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000013617161 570762972 /nfs/dbraw/zinc/76/29/72/570762972.db2.gz RXSMPYPGIJXNFX-SXGWCWSVSA-N 0 0 375.446 4.249 50 10 GICARN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000013623872 570763358 /nfs/dbraw/zinc/76/33/58/570763358.db2.gz OKRRRPUAENUYAD-HNNXBMFYSA-N 0 0 379.456 4.406 50 10 GICARN COc1cccc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)c1 ZINC000013722588 570780899 /nfs/dbraw/zinc/78/08/99/570780899.db2.gz HQILAPMUUAOFKE-YBEGLDIGSA-N 0 0 379.466 4.044 50 10 GICARN COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(OC)c(OC)c3)c2C)c1 ZINC000032796433 570818648 /nfs/dbraw/zinc/81/86/48/570818648.db2.gz KDRMWMSWURSUEC-UHFFFAOYSA-N 0 0 380.444 4.372 50 10 GICARN CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)S1 ZINC000004675497 570821921 /nfs/dbraw/zinc/82/19/21/570821921.db2.gz HOOCPRJPDQPSDF-YVLHZVERSA-N 0 0 386.860 4.025 50 10 GICARN CCc1ccccc1OCCOc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000004680590 570829164 /nfs/dbraw/zinc/82/91/64/570829164.db2.gz ZOEVQMMLMUOJBR-AQTBWJFISA-N 0 0 385.510 4.196 50 10 GICARN Cc1cc(C(=O)CNC(=O)NCc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000012523207 570829446 /nfs/dbraw/zinc/82/94/46/570829446.db2.gz QCDGHRKBURPBSM-UHFFFAOYSA-N 0 0 389.499 4.393 50 10 GICARN O=C1C(c2ccccc2)=S=C2c3ccccc3C(c3ccc(Cl)cc3)=NN12 ZINC000334158874 570934839 /nfs/dbraw/zinc/93/48/39/570934839.db2.gz UJWKSVKIKILFHI-UHFFFAOYSA-N 0 0 388.879 4.380 50 10 GICARN C[C@H](Sc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000052913958 570956813 /nfs/dbraw/zinc/95/68/13/570956813.db2.gz QBAQIKNSBZAUQS-ZETCQYMHSA-N 0 0 377.369 4.189 50 10 GICARN COc1ccc(N2C(=O)/C(=C(/C)c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000033315720 570971950 /nfs/dbraw/zinc/97/19/50/570971950.db2.gz JWARURZKFDQGKI-LFIBNONCSA-N 0 0 386.454 4.399 50 10 GICARN CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000002252220 817381406 /nfs/dbraw/zinc/38/14/06/817381406.db2.gz PLQISDXXCMTSGX-DKXRRRNBSA-N 0 0 394.587 4.131 50 10 GICARN CN(C)c1ccc([C@H]2SCC(=O)N2Nc2ncc(Cl)cc2Cl)cc1 ZINC000002319828 817384511 /nfs/dbraw/zinc/38/45/11/817384511.db2.gz ILMJNVJSBBGXFM-MRXNPFEDSA-N 0 0 383.304 4.056 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000002407975 817387321 /nfs/dbraw/zinc/38/73/21/817387321.db2.gz HOZBOKULBIBXQK-CWUSKICSSA-N 0 0 399.479 4.496 50 10 GICARN CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000003504301 817472037 /nfs/dbraw/zinc/47/20/37/817472037.db2.gz AVWPYFRAYSZNQK-UHFFFAOYSA-N 0 0 391.423 4.287 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2cc(-c3ccc(OC)cc3OC)c(=O)oc21 ZINC000004084628 817501710 /nfs/dbraw/zinc/50/17/10/817501710.db2.gz PZXNREQGQRJPOD-UHFFFAOYSA-N 0 0 383.444 4.025 50 10 GICARN CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c1C ZINC000004150591 817506785 /nfs/dbraw/zinc/50/67/85/817506785.db2.gz LMTCZXUHTXCBON-GAGNZYIBSA-N 0 0 376.485 4.433 50 10 GICARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3O)C2)cc1 ZINC000004248184 817512627 /nfs/dbraw/zinc/51/26/27/817512627.db2.gz DZQVVFKRTCZLEB-NRFANRHFSA-N 0 0 392.480 4.241 50 10 GICARN CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)SC1=S ZINC000005525987 817591308 /nfs/dbraw/zinc/59/13/08/817591308.db2.gz OWLXUUSMUBQIGP-GZTJUZNOSA-N 0 0 392.509 4.155 50 10 GICARN CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S ZINC000005591691 817599181 /nfs/dbraw/zinc/59/91/81/817599181.db2.gz JUNATDGBPHXKMA-LFIBNONCSA-N 0 0 381.482 4.353 50 10 GICARN CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000016213926 818406839 /nfs/dbraw/zinc/40/68/39/818406839.db2.gz TXXWNOFEIBTUHC-ATVHPVEESA-N 0 0 380.444 4.299 50 10 GICARN Cc1ccc(N(Cc2ccco2)C(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 ZINC000029473381 820459161 /nfs/dbraw/zinc/45/91/61/820459161.db2.gz PGTULHZPMTUUSL-SDNWHVSQSA-N 0 0 398.466 4.474 50 10 GICARN COC(=O)c1sc2nc(-c3cccc(OC)c3)cc(C(F)(F)F)c2c1N ZINC000000663817 206314792 /nfs/dbraw/zinc/31/47/92/206314792.db2.gz HPGBVDJEACITGS-UHFFFAOYSA-N 0 0 382.363 4.360 50 10 GICARN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1 ZINC000000882751 206330615 /nfs/dbraw/zinc/33/06/15/206330615.db2.gz GXRCRWHOJBKTEG-UHFFFAOYSA-N 0 0 378.413 4.122 50 10 aggregator GICARN COc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1O ZINC000000975316 206338709 /nfs/dbraw/zinc/33/87/09/206338709.db2.gz UNNWFKSMSIWSEF-RIYZIHGNSA-N 0 0 377.874 4.460 50 10 GICARN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 ZINC000001427447 206380861 /nfs/dbraw/zinc/38/08/61/206380861.db2.gz NFBADLAWJNAFMO-UHFFFAOYSA-N 0 0 382.387 4.158 50 10 GICARN CCOC(=O)[C@H](C)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C ZINC000001165499 206362110 /nfs/dbraw/zinc/36/21/10/206362110.db2.gz SJJGPPSZPUWRQA-AWEZNQCLSA-N 0 0 382.412 4.107 50 10 GICARN COc1ccc(OC)c(C2=C/C(=C/c3ccc(Br)cc3)C(=O)O2)c1 ZINC000001196631 206366269 /nfs/dbraw/zinc/36/62/69/206366269.db2.gz KDSKNAJJQNKKLT-LCYFTJDESA-N 0 0 387.229 4.448 50 10 GICARN CCOc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)OC)C1=O ZINC000001768377 206391626 /nfs/dbraw/zinc/39/16/26/206391626.db2.gz JDCOBOSRYQPHFJ-DTQAZKPQSA-N 0 0 393.530 4.020 50 10 GICARN CCOc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000002123813 206399211 /nfs/dbraw/zinc/39/92/11/206399211.db2.gz ZXAOPHQJOWRJCV-UHFFFAOYSA-N 0 0 377.440 4.427 50 10 GICARN COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000002282581 206407006 /nfs/dbraw/zinc/40/70/06/206407006.db2.gz RCQWTHUXGDCZQA-GDNBJRDFSA-N 0 0 379.890 4.448 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000002390053 206414133 /nfs/dbraw/zinc/41/41/33/206414133.db2.gz MCSHRHSMVKVYAB-CDMRAEPUSA-N 0 0 397.891 4.305 50 10 GICARN CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000003878154 206494394 /nfs/dbraw/zinc/49/43/94/206494394.db2.gz QFVDKARCPMTZCS-UHFFFAOYSA-N 0 0 389.543 4.169 50 10 GICARN CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)cc1 ZINC000004150637 206505142 /nfs/dbraw/zinc/50/51/42/206505142.db2.gz FYOQGKBNUJNCRZ-BVJANGARSA-N 0 0 392.484 4.270 50 10 GICARN O=C(c1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(c2ccccc2)CC1 ZINC000004546813 206527094 /nfs/dbraw/zinc/52/70/94/206527094.db2.gz NSHYLQCKBJJESY-UHFFFAOYSA-N 0 0 395.458 4.482 50 10 GICARN COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c2ccccc12 ZINC000004569190 206530002 /nfs/dbraw/zinc/53/00/02/206530002.db2.gz AKSGCDCDFLXFSD-UHFFFAOYSA-N 0 0 382.485 4.249 50 10 GICARN CCc1ccc(/C=C2\SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 ZINC000005516101 206616748 /nfs/dbraw/zinc/61/67/48/206616748.db2.gz PLIWYZZFXOUFMF-PGMHBOJBSA-N 0 0 391.540 4.350 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 ZINC000007423539 206711836 /nfs/dbraw/zinc/71/18/36/206711836.db2.gz ARRWRMXDSFAFIU-UHFFFAOYSA-N 0 0 381.501 4.443 50 10 GICARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1 ZINC000008578334 206755077 /nfs/dbraw/zinc/75/50/77/206755077.db2.gz CMRCYZLRSDSGMN-SSZFMOIBSA-N 0 0 397.525 4.010 50 10 aggregator GICARN CC(=O)Nc1ccc(NC=C2SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000008993261 206771760 /nfs/dbraw/zinc/77/17/60/206771760.db2.gz HFZRKCKXUYLQHW-AQTBWJFISA-N 0 0 397.525 4.001 50 10 GICARN COC(=O)c1ccccc1NC(=O)NCc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000009228694 206779215 /nfs/dbraw/zinc/77/92/15/206779215.db2.gz QQPAPEXRSOHUMA-UHFFFAOYSA-N 0 0 395.434 4.342 50 10 GICARN COc1ccc(-n2c(C)cc(CNC(=O)NCc3cccc(OC)c3)c2C)cc1 ZINC000009228672 206779538 /nfs/dbraw/zinc/77/95/38/206779538.db2.gz GWAODUYJAVWAQF-UHFFFAOYSA-N 0 0 393.487 4.111 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(OC)c1C ZINC000015011045 207040020 /nfs/dbraw/zinc/04/00/20/207040020.db2.gz BKKSPEYAYNXEQU-DHDCSXOGSA-N 0 0 375.471 4.007 50 10 GICARN O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1Cc1ccccc1 ZINC000015011487 207040340 /nfs/dbraw/zinc/04/03/40/207040340.db2.gz KTPRLFBKAXPEGL-XYOKQWHBSA-N 0 0 380.288 4.444 50 10 GICARN Cc1ccc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)c(C)c1 ZINC000015800224 207062828 /nfs/dbraw/zinc/06/28/28/207062828.db2.gz XTBAKJWTPABJPF-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN Cc1cccc(C)c1OCCOc1ccccc1C=C1SC(=S)NC1=O ZINC000015800603 207062104 /nfs/dbraw/zinc/06/21/04/207062104.db2.gz XHEGTJAPULNOCZ-ATVHPVEESA-N 0 0 385.510 4.250 50 10 GICARN Cc1ccc(OCCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000017185971 207086534 /nfs/dbraw/zinc/08/65/34/207086534.db2.gz JCQVGJNLXNZRKJ-XMHGGMMESA-N 0 0 382.485 4.176 50 10 GICARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccccc1F ZINC000020037237 207174864 /nfs/dbraw/zinc/17/48/64/207174864.db2.gz KURRTZCIIFCORB-PRZRADHTSA-N 0 0 380.448 4.400 50 10 GICARN O=c1oc2c(cc(Cl)c([O-])c2C[NH2+]CCc2ccc(F)cc2)c2c1CCC2 ZINC000020622786 207208553 /nfs/dbraw/zinc/20/85/53/207208553.db2.gz JHMPJYNFDXCNBK-UHFFFAOYSA-N 0 0 387.838 4.112 50 10 GICARN CCN(CC)c1ccc(CN(Cc2cccnc2)C(=S)NCC(C)C)cc1 ZINC000020608676 207207936 /nfs/dbraw/zinc/20/79/36/207207936.db2.gz NAVWBTSMJCZQJV-UHFFFAOYSA-N 0 0 384.593 4.461 50 10 GICARN Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC000025541767 207304191 /nfs/dbraw/zinc/30/41/91/207304191.db2.gz VXBJTQCNXKVNGO-UHFFFAOYSA-N 0 0 379.435 4.187 50 10 GICARN COc1ccc(-n2c(C)cc(CN(C)C(=O)c3nc(C)ncc3Cl)c2C)cc1 ZINC000089579857 208107145 /nfs/dbraw/zinc/10/71/45/208107145.db2.gz QHHOLBFQHPIMEB-UHFFFAOYSA-N 0 0 398.894 4.127 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1c(C)cccc1C ZINC000095471964 208191842 /nfs/dbraw/zinc/19/18/42/208191842.db2.gz POHTVJGVZWMAPU-OTHHCBNDSA-N 0 0 391.500 4.350 50 10 GICARN Cc1ccc2c(COC(=O)c3sc4nc(C)cc(C)c4c3N)cc(=O)oc2c1 ZINC000014151869 208788376 /nfs/dbraw/zinc/78/83/76/208788376.db2.gz NWBKQAKLJJYBGX-UHFFFAOYSA-N 0 0 394.452 4.267 50 10 GICARN CCOc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)OC)C1=O ZINC000013533829 208783886 /nfs/dbraw/zinc/78/38/86/208783886.db2.gz JDCOBOSRYQPHFJ-SSZFMOIBSA-N 0 0 393.530 4.020 50 10 GICARN C[C@H]1CCN(C(=O)CN(C)Cc2ccc(N(C)C)cc2)c2ccccc2S1 ZINC000007990543 221022710 /nfs/dbraw/zinc/02/27/10/221022710.db2.gz RALISEZULMHLPK-KRWDZBQOSA-N 0 0 383.561 4.102 50 10 GICARN COc1ccc(N2CCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)cc1 ZINC000016361058 221360736 /nfs/dbraw/zinc/36/07/36/221360736.db2.gz QQYOLLKJMLCQKI-SYQRVOMBSA-N 0 0 382.548 4.340 50 10 GICARN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001809314 570269025 /nfs/dbraw/zinc/26/90/25/570269025.db2.gz PZSHXEXLCJUJPT-SDQBBNPISA-N 0 0 390.313 4.148 50 10 GICARN COc1ccc(-n2cccc2/C=C2/C(=N)N3C(C)=CSC3=NC2=O)cc1Cl ZINC000049652925 570271778 /nfs/dbraw/zinc/27/17/78/570271778.db2.gz LSBTWLHPGXXKMI-ZSCJGDHMSA-N 0 0 398.875 4.306 50 10 GICARN Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 ZINC000006130850 570276275 /nfs/dbraw/zinc/27/62/75/570276275.db2.gz RHZGDXDMOWKUCC-OQLLNIDSSA-N 0 0 388.539 4.205 50 10 GICARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cccc(O)c1 ZINC000002302643 570281869 /nfs/dbraw/zinc/28/18/69/570281869.db2.gz YMDXVKZRKDTCNX-HKWRFOASSA-N 0 0 378.497 4.317 50 10 GICARN Cc1ccccc1N1C(=O)C(=Cc2ccco2)C(=O)N(c2ccccc2C)C1=O ZINC000003130497 570329964 /nfs/dbraw/zinc/32/99/64/570329964.db2.gz QWRRPPAIVMXYCP-UHFFFAOYSA-N 0 0 386.407 4.480 50 10 GICARN COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000023393680 570360507 /nfs/dbraw/zinc/36/05/07/570360507.db2.gz MQVWIEPETKJTGQ-UHFFFAOYSA-N 0 0 398.463 4.258 50 10 GICARN CCCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O ZINC000004903377 570360613 /nfs/dbraw/zinc/36/06/13/570360613.db2.gz IKZCVITWOLNCTJ-LJQANCHMSA-N 0 0 379.416 4.244 50 10 GICARN O=C(c1coc2ccc(O)c(CN3CCOCC3)c12)c1ccc2ccccc2c1 ZINC000604418918 570362720 /nfs/dbraw/zinc/36/27/20/570362720.db2.gz PMAOSRMDDLMPRW-UHFFFAOYSA-N 0 0 387.435 4.355 50 10 GICARN CC(=O)Nc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000006347702 570394961 /nfs/dbraw/zinc/39/49/61/570394961.db2.gz BRAFOPZVCMCFHP-UHFFFAOYSA-N 0 0 390.439 4.092 50 10 GICARN CCN(CC)C(=O)CCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S ZINC000005010040 570395478 /nfs/dbraw/zinc/39/54/78/570395478.db2.gz FCZUJMMLDOESKW-DTQAZKPQSA-N 0 0 392.546 4.181 50 10 GICARN COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1NC(C)=O ZINC000025579644 570416351 /nfs/dbraw/zinc/41/63/51/570416351.db2.gz PDWQUODNTAHDPZ-UHFFFAOYSA-N 0 0 377.444 4.313 50 10 GICARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)OCc1ccccc1 ZINC000001750287 570421798 /nfs/dbraw/zinc/42/17/98/570421798.db2.gz KPDONTLHKYNYKX-LGMDPLHJSA-N 0 0 383.494 4.021 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3cc(OC)cc(OC)c3)SC2=S)cc1 ZINC000005024011 570424697 /nfs/dbraw/zinc/42/46/97/570424697.db2.gz VSHAUMYXNLVNHI-LICLKQGHSA-N 0 0 387.482 4.118 50 10 GICARN CCc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000005093298 570428950 /nfs/dbraw/zinc/42/89/50/570428950.db2.gz VLZDVRQOHAGFPA-UHFFFAOYSA-N 0 0 385.419 4.042 50 10 GICARN Cc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)c(C)c1 ZINC000005102362 570429493 /nfs/dbraw/zinc/42/94/93/570429493.db2.gz GSIOIGSRJHYNSY-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN CCCCC1(Br)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000005711582 570452181 /nfs/dbraw/zinc/45/21/81/570452181.db2.gz ZQEMBBPLSDYZSO-UHFFFAOYSA-N 0 0 387.277 4.305 50 10 GICARN O=C1N=C(Nc2ccccc2O)SC1=Cc1ccc(Br)cc1 ZINC000005770708 570455896 /nfs/dbraw/zinc/45/58/96/570455896.db2.gz APECMGZHOVPGKY-ZROIWOOFSA-N 0 0 375.247 4.237 50 10 GICARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000012377631 570471980 /nfs/dbraw/zinc/47/19/80/570471980.db2.gz ALHGGSZZLWYIKB-OKILXGFUSA-N 0 0 378.875 4.179 50 10 GICARN COC(=O)c1ccc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc1 ZINC000006568849 570483394 /nfs/dbraw/zinc/48/33/94/570483394.db2.gz WLZDVNNYCGVMGF-WJDWOHSUSA-N 0 0 386.860 4.233 50 10 GICARN CC(=O)Nc1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000002696945 570504746 /nfs/dbraw/zinc/50/47/46/570504746.db2.gz BEJFDYGEELBTJF-JOCHJYFZSA-N 0 0 384.439 4.495 50 10 GICARN CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OC(F)F ZINC000008117841 570522448 /nfs/dbraw/zinc/52/24/48/570522448.db2.gz XEHBKJVMBYWBSN-PTNGSMBKSA-N 0 0 382.432 4.143 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=N)S1 ZINC000006709566 570545908 /nfs/dbraw/zinc/54/59/08/570545908.db2.gz APKQJBOUZPCYIL-JEGSZOCCSA-N 0 0 395.463 4.262 50 10 GICARN COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000006721758 570550353 /nfs/dbraw/zinc/55/03/53/570550353.db2.gz FFWLQISPOPZIPC-AUSIDOKSSA-N 0 0 387.439 4.347 50 10 GICARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCCC2)c1 ZINC000006721833 570550723 /nfs/dbraw/zinc/55/07/23/570550723.db2.gz GCDHNEDQCZPQBX-SFHVURJKSA-N 0 0 380.444 4.223 50 10 GICARN O=c1oc2c(ccc([O-])c2C[NH2+]Cc2cccc(C(F)(F)F)c2)c2c1CCC2 ZINC000006760345 570575240 /nfs/dbraw/zinc/57/52/40/570575240.db2.gz ZYBKHCHYTJHFCT-UHFFFAOYSA-N 0 0 389.373 4.296 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000005516143 570623440 /nfs/dbraw/zinc/62/34/40/570623440.db2.gz UIJNRPRXXUUWQG-OVDNTTTISA-N 0 0 397.891 4.387 50 10 GICARN COc1ccc(N(CC(=O)N2CCc3ccccc3C2)Cc2ccccc2)cc1 ZINC000022983694 570631133 /nfs/dbraw/zinc/63/11/33/570631133.db2.gz BPYDVNNXTNGTOA-UHFFFAOYSA-N 0 0 386.495 4.287 50 10 GICARN COc1cc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)ccc1O ZINC000012558777 570679903 /nfs/dbraw/zinc/67/99/03/570679903.db2.gz BPNZJFLVCGIXJB-DHDCSXOGSA-N 0 0 377.874 4.460 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C2=N)S1 ZINC000005157506 570731294 /nfs/dbraw/zinc/73/12/94/570731294.db2.gz DZQFQCCIVDUHLZ-ZJNHSXOMSA-N 0 0 391.500 4.182 50 10 GICARN CC[NH+](CC)Cc1c2c(C(=O)c3cc(OC)ccc3OC)coc2ccc1[O-] ZINC000000978438 570742496 /nfs/dbraw/zinc/74/24/96/570742496.db2.gz WHARSEASBZUPRL-UHFFFAOYSA-N 0 0 383.444 4.228 50 10 GICARN COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1OC ZINC000013617887 570763286 /nfs/dbraw/zinc/76/32/86/570763286.db2.gz LBZGBORYVHGXHU-GDNBJRDFSA-N 0 0 375.446 4.249 50 10 GICARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000036624896 570767605 /nfs/dbraw/zinc/76/76/05/570767605.db2.gz BSKGWQYYDLTLDR-CYBMUJFWSA-N 0 0 381.303 4.485 50 10 GICARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3cccc(Br)c3)C2=N)S1 ZINC000004645973 570778264 /nfs/dbraw/zinc/77/82/64/570778264.db2.gz JEPBBNWFAQRTGT-PEMMUPCOSA-N 0 0 391.294 4.114 50 10 GICARN O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001176638 570790378 /nfs/dbraw/zinc/79/03/78/570790378.db2.gz YBEZJYXCPQMYMB-UHFFFAOYSA-N 0 0 391.335 4.037 50 10 GICARN Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2CC(C)C)s1 ZINC000011283090 570794482 /nfs/dbraw/zinc/79/44/82/570794482.db2.gz CKLMYNONZRABSJ-UHFFFAOYSA-N 0 0 387.534 4.097 50 10 GICARN CCCCCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000005824978 570794811 /nfs/dbraw/zinc/79/48/11/570794811.db2.gz SQKCAUSSKMYQSI-JQIJEIRASA-N 0 0 377.531 4.401 50 10 GICARN CCCCCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000005946160 570807696 /nfs/dbraw/zinc/80/76/96/570807696.db2.gz FHDVQRMUQMPHBR-UHFFFAOYSA-N 0 0 382.504 4.227 50 10 GICARN CCc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(O)c(OC)c3)S2)cc1 ZINC000005695240 570813288 /nfs/dbraw/zinc/81/32/88/570813288.db2.gz MDHXRSDCPWIQIZ-GZTJUZNOSA-N 0 0 384.457 4.054 50 10 GICARN Cn1c(-c2ccccc2)cnc1SCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000032865429 570862794 /nfs/dbraw/zinc/86/27/94/570862794.db2.gz UNBIFGPUJDGVNA-UHFFFAOYSA-N 0 0 392.933 4.307 50 10 GICARN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)cc1 ZINC000001312392 570957463 /nfs/dbraw/zinc/95/74/63/570957463.db2.gz OOUQPKQEGQDEKJ-MDWZMJQESA-N 0 0 394.930 4.241 50 10 GICARN FC(F)(F)COc1nc(/N=N/c2ccccc2)nc(OCC(F)(F)F)n1 ZINC000004776513 570984552 /nfs/dbraw/zinc/98/45/52/570984552.db2.gz JTSHQBGDLLJNPK-WCWDXBQESA-N 0 0 381.236 4.169 50 10 GICARN CCOC(=O)c1c(C)oc2c1c(C[NH+]1C[C@H](C)O[C@@H](C)C1)c([O-])c1ccccc21 ZINC000023224597 570987909 /nfs/dbraw/zinc/98/79/09/570987909.db2.gz VNYPUKLNLDKLDW-KBPBESRZSA-N 0 0 397.471 4.386 50 10 GICARN Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000012752583 571006051 /nfs/dbraw/zinc/00/60/51/571006051.db2.gz GIMUFKXTLQNQFF-UHFFFAOYSA-N 0 0 390.361 4.037 50 10 GICARN CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O1 ZINC000001184986 817375558 /nfs/dbraw/zinc/37/55/58/817375558.db2.gz OLZHVQMFMGZISK-UHFFFAOYSA-N 0 0 385.372 4.101 50 10 GICARN Cc1ccccc1NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 ZINC000001228596 817375573 /nfs/dbraw/zinc/37/55/73/817375573.db2.gz XGNXWRXOJRTMMV-QJOMJCCJSA-N 0 0 399.494 4.471 50 10 GICARN CN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S ZINC000002393502 817386658 /nfs/dbraw/zinc/38/66/58/817386658.db2.gz IQIMUAJVUUCMQM-YRNVUSSQSA-N 0 0 381.240 4.350 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 ZINC000003337299 817438926 /nfs/dbraw/zinc/43/89/26/817438926.db2.gz ZIESBDGUEIQUAB-UHFFFAOYSA-N 0 0 388.467 4.230 50 10 GICARN C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccccc1 ZINC000008023621 817984639 /nfs/dbraw/zinc/98/46/39/817984639.db2.gz FMTBWKOLRDZOJC-AUSIDOKSSA-N 0 0 380.532 4.454 50 10 GICARN CNc1ccc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)cc1[N+](=O)[O-] ZINC000013039434 818201163 /nfs/dbraw/zinc/20/11/63/818201163.db2.gz IGJYFWXCSPKFCS-YVLHZVERSA-N 0 0 382.445 4.336 50 10 GICARN Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000022458685 818809909 /nfs/dbraw/zinc/80/99/09/818809909.db2.gz QSFDVEPAOPXVCT-UHFFFAOYSA-N 0 0 387.527 4.191 50 10 GICARN CCOC(=O)c1c(NC(=O)/C=C\c2ccc(N(C)C)cc2)sc2c1CCC2 ZINC000033722881 821059457 /nfs/dbraw/zinc/05/94/57/821059457.db2.gz TXVJYOQALNXXQD-RAXLEYEMSA-N 0 0 384.501 4.131 50 10 GICARN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000040089165 821135048 /nfs/dbraw/zinc/13/50/48/821135048.db2.gz BACLQOQGUSBYAY-UHFFFAOYSA-N 0 0 378.501 4.044 50 10 GICARN CN(C)c1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)cc1 ZINC000008611595 529782330 /nfs/dbraw/zinc/78/23/30/529782330.db2.gz KQMGYZSCIBAJSV-UHFFFAOYSA-N 0 0 385.467 4.415 50 10 GICARN N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000004673649 209120469 /nfs/dbraw/zinc/12/04/69/209120469.db2.gz NPEPOGQYWPUSQH-NTNBEHHGSA-N 0 0 384.823 4.147 50 10 GICARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3ccc(Cl)cc3)C2=N)S1 ZINC000002824292 209115330 /nfs/dbraw/zinc/11/53/30/209115330.db2.gz PGYFMPHXNAERCJ-ACXWOISZSA-N 0 0 380.860 4.316 50 10 GICARN CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000227486613 206259967 /nfs/dbraw/zinc/25/99/67/206259967.db2.gz BBPGRYHTHQBEIY-CVDCTZTESA-N 0 0 387.439 4.428 50 10 GICARN COc1ccc(-c2cc3ccc([O-])c(C[N@@H+]4CCC[C@H](C)C4)c3oc2=O)cc1 ZINC000001317657 206290871 /nfs/dbraw/zinc/29/08/71/206290871.db2.gz SKJUBGSUKIYEJM-HNNXBMFYSA-N 0 0 379.456 4.406 50 10 GICARN COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)cc(Cl)c1OC ZINC000096669703 206301455 /nfs/dbraw/zinc/30/14/55/206301455.db2.gz GORYBPZRRPJQNG-XNTDXEJSSA-N 0 0 380.897 4.250 50 10 GICARN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc32)C1 ZINC000000635410 206310242 /nfs/dbraw/zinc/31/02/42/206310242.db2.gz LEVIEHQOTYXYMA-CQSZACIVSA-N 0 0 389.455 4.274 50 10 GICARN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1 ZINC000000823566 206325185 /nfs/dbraw/zinc/32/51/85/206325185.db2.gz KVNDDXIMDJTWIC-OAQYLSRUSA-N 0 0 399.535 4.427 50 10 GICARN COc1ccc([C@@H](NC(=O)C(C)C)c2c(O)ccc3ccccc32)cc1OC ZINC000000855804 206327414 /nfs/dbraw/zinc/32/74/14/206327414.db2.gz JWVIJOBQVJZQBC-JOCHJYFZSA-N 0 0 379.456 4.424 50 10 GICARN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc(F)cc1 ZINC000000882970 206329960 /nfs/dbraw/zinc/32/99/60/206329960.db2.gz YILSRLGNMWICDP-UHFFFAOYSA-N 0 0 396.403 4.262 50 10 GICARN COC(=O)c1sc2cc(NC(=S)NCc3ccccn3)ccc2c1Cl ZINC000001117833 206355278 /nfs/dbraw/zinc/35/52/78/206355278.db2.gz XXUBXWLGRIOOEL-UHFFFAOYSA-N 0 0 391.905 4.223 50 10 GICARN O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1 ZINC000001298821 206371848 /nfs/dbraw/zinc/37/18/48/206371848.db2.gz ICDCQPCOQOOGEQ-LGMDPLHJSA-N 0 0 398.509 4.012 50 10 GICARN CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215877 206374077 /nfs/dbraw/zinc/37/40/77/206374077.db2.gz DSUXZMFAJHEAQV-XXBNENTESA-N 0 0 387.439 4.428 50 10 GICARN COc1cccc2cc(-c3nc(-c4ccc(-n5cccc5)cc4)no3)c(=O)oc21 ZINC000001423384 206380213 /nfs/dbraw/zinc/38/02/13/206380213.db2.gz ADZMSRBHVNHLDW-UHFFFAOYSA-N 0 0 385.379 4.309 50 10 GICARN Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000001450918 206383138 /nfs/dbraw/zinc/38/31/38/206383138.db2.gz NGAOFXYTRWJZJP-XNTDXEJSSA-N 0 0 388.901 4.195 50 10 GICARN O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C\c1ccccc1 ZINC000001471534 206384426 /nfs/dbraw/zinc/38/44/26/206384426.db2.gz HPYIPXLKJBIKTL-JXAWBTAJSA-N 0 0 383.904 4.133 50 10 GICARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000001147090 206359559 /nfs/dbraw/zinc/35/95/59/206359559.db2.gz BMHXFUYEAVGKSU-JXAWBTAJSA-N 0 0 396.443 4.158 50 10 GICARN COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)c1 ZINC000001191399 206364808 /nfs/dbraw/zinc/36/48/08/206364808.db2.gz BMHSNUZXRJJCRZ-GZTJUZNOSA-N 0 0 387.482 4.118 50 10 GICARN COc1ccc(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCC5)cc1 ZINC000002449884 206417166 /nfs/dbraw/zinc/41/71/66/206417166.db2.gz AUBMVSKNXCVKLG-UHFFFAOYSA-N 0 0 383.831 4.300 50 10 GICARN COc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000004500215 206523905 /nfs/dbraw/zinc/52/39/05/206523905.db2.gz UGEONMQIDVWXOC-UHFFFAOYSA-N 0 0 392.455 4.207 50 10 GICARN COc1ccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2O)cc1 ZINC000004942347 206574540 /nfs/dbraw/zinc/57/45/40/206574540.db2.gz XBNKTPIKADMMHV-GOSISDBHSA-N 0 0 378.453 4.454 50 10 GICARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(Cl)cc4)S3)CC2)c1 ZINC000005705353 206625130 /nfs/dbraw/zinc/62/51/30/206625130.db2.gz YPDLLAHKONUJJX-XMHGGMMESA-N 0 0 397.931 4.441 50 10 GICARN COc1ccc(C2(Nc3cccc(C(C)=O)c3)C(=O)c3ccccc3C2=O)cc1 ZINC000006902051 206692828 /nfs/dbraw/zinc/69/28/28/206692828.db2.gz WHDYNSMSODQZJN-UHFFFAOYSA-N 0 0 385.419 4.284 50 10 GICARN O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1ccccc1F ZINC000009234503 206779059 /nfs/dbraw/zinc/77/90/59/206779059.db2.gz XKKHIZSOJUDNJZ-CXUHLZMHSA-N 0 0 383.425 4.338 50 10 GICARN O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1cccc(Cl)c1 ZINC000013714452 206993375 /nfs/dbraw/zinc/99/33/75/206993375.db2.gz FFEQVNTXCGSYAI-ZSOIEALJSA-N 0 0 392.864 4.025 50 10 GICARN CCCCCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(N(C)C)cc1 ZINC000014610802 207024610 /nfs/dbraw/zinc/02/46/10/207024610.db2.gz DILUTKHYYYPLNQ-UHFFFAOYSA-N 0 0 381.480 4.437 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1[N+](=O)[O-] ZINC000015008398 207039801 /nfs/dbraw/zinc/03/98/01/207039801.db2.gz LOFHNBVDNHATGU-MHWRWJLKSA-N 0 0 386.454 4.318 50 10 GICARN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)oc2c1[C@H]1N=C(C)S[C@H]1CC2 ZINC000015730086 207057238 /nfs/dbraw/zinc/05/72/38/207057238.db2.gz GGCWEZFAGBPDDJ-HKUYNNGSSA-N 0 0 383.517 4.105 50 10 GICARN CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000015502948 207051743 /nfs/dbraw/zinc/05/17/43/207051743.db2.gz KWRIXLFHUQNKHU-UGKGYDQZSA-N 0 0 379.504 4.278 50 10 GICARN COC(=O)c1ccc(NC=C2C(C)=NN(c3cccc4ccccc43)C2=O)cc1 ZINC000015930243 207067743 /nfs/dbraw/zinc/06/77/43/207067743.db2.gz DHIQBPSUBBPUBL-ZHZULCJRSA-N 0 0 385.423 4.345 50 10 GICARN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000016192959 207074974 /nfs/dbraw/zinc/07/49/74/207074974.db2.gz HKKRNCHCDUCMRH-PXNMLYILSA-N 0 0 389.885 4.470 50 10 GICARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 ZINC000017083555 207085097 /nfs/dbraw/zinc/08/50/97/207085097.db2.gz HSCXIOBLWYERFL-VXJOIVPMSA-N 0 0 393.306 4.195 50 10 GICARN CC(C)N1C(=O)/C(=C\C=C\c2ccccc2)C(=O)N(CCc2ccccc2)C1=O ZINC000017118201 207084608 /nfs/dbraw/zinc/08/46/08/207084608.db2.gz FEUGTVODDFSFRQ-DKDWZUBTSA-N 0 0 388.467 4.068 50 10 GICARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000021963244 207243825 /nfs/dbraw/zinc/24/38/25/207243825.db2.gz LMBSTLULNXCYIA-UHFFFAOYSA-N 0 0 393.314 4.031 50 10 GICARN COc1ccc(N(Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000022983815 207266812 /nfs/dbraw/zinc/26/68/12/207266812.db2.gz QFSPPEYHWFICRK-UHFFFAOYSA-N 0 0 385.467 4.218 50 10 GICARN Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1C ZINC000028288101 207339484 /nfs/dbraw/zinc/33/94/84/207339484.db2.gz SNLVPHLHGKBTNH-UHFFFAOYSA-N 0 0 389.499 4.377 50 10 GICARN CCn1c2ccccc2c2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)ccc21 ZINC000032099528 207392575 /nfs/dbraw/zinc/39/25/75/207392575.db2.gz JOSAMXACHMXXRZ-HKWRFOASSA-N 0 0 381.435 4.276 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(I)c1 ZINC000032099404 207392748 /nfs/dbraw/zinc/39/27/48/207392748.db2.gz SGHHUOCCJOKABT-WJDWOHSUSA-N 0 0 388.208 4.097 50 10 GICARN CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c1C ZINC000080346746 208077071 /nfs/dbraw/zinc/07/70/71/208077071.db2.gz NWGQBMBAJRVSLN-ZJNHSXOMSA-N 0 0 391.500 4.296 50 10 GICARN Cc1noc2nc(C3CC3)cc(C(=O)N3CC=C(c4ccc(N(C)C)cc4)C3)c12 ZINC000095456525 208186503 /nfs/dbraw/zinc/18/65/03/208186503.db2.gz NXHKVVKNIPHSIP-UHFFFAOYSA-N 0 0 388.471 4.014 50 10 GICARN COC(=O)CS[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000021141316 208820541 /nfs/dbraw/zinc/82/05/41/208820541.db2.gz XULMYMHBPQPFAK-CYBMUJFWSA-N 0 0 397.443 4.173 50 10 GICARN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)cc1 ZINC000058391936 136155446 /nfs/dbraw/zinc/15/54/46/136155446.db2.gz ZMLJJVLQERPAAR-RGEXLXHISA-N 0 0 396.537 4.237 50 10 GICARN COc1ccc(N2CCC(N(C)C(=O)Nc3cc(C)ccc3OC)CC2)cc1 ZINC000058354938 536667348 /nfs/dbraw/zinc/66/73/48/536667348.db2.gz ZHZCWLXZRHEPEH-UHFFFAOYSA-N 0 0 383.492 4.145 50 10 GICARN Cc1ccccc1OCCCOc1ccccc1C=C1SC(=S)NC1=O ZINC000002874250 570314459 /nfs/dbraw/zinc/31/44/59/570314459.db2.gz UZTSRQNUCNYNDK-QGOAFFKASA-N 0 0 385.510 4.332 50 10 GICARN Cc1ccccc1OCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O ZINC000006218596 570343449 /nfs/dbraw/zinc/34/34/49/570343449.db2.gz SQMYABJNTFSLFB-QGOAFFKASA-N 0 0 385.510 4.284 50 10 GICARN CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000006265013 570353445 /nfs/dbraw/zinc/35/34/45/570353445.db2.gz JSUZBSQYGXINCG-LGMDPLHJSA-N 0 0 398.509 4.022 50 10 GICARN Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000006290080 570362073 /nfs/dbraw/zinc/36/20/73/570362073.db2.gz IQBKZXWFUPIRES-UHFFFAOYSA-N 0 0 382.847 4.108 50 10 GICARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=N)S1 ZINC000004466819 570376053 /nfs/dbraw/zinc/37/60/53/570376053.db2.gz FVQGMGHZZVSIFM-AJUKGGFZSA-N 0 0 382.420 4.361 50 10 GICARN Cc1cc(C(=O)CSc2nccn2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000006314957 570376791 /nfs/dbraw/zinc/37/67/91/570376791.db2.gz ZJKXXJQQRULXED-UHFFFAOYSA-N 0 0 391.443 4.404 50 10 GICARN CC(NCCc1ccc(F)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000004679128 570392546 /nfs/dbraw/zinc/39/25/46/570392546.db2.gz OXCVNCNTECJPTG-CPNJWEJPSA-N 0 0 394.475 4.264 50 10 GICARN Cc1ccc2oc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc(=O)c2c1 ZINC000010962716 570397955 /nfs/dbraw/zinc/39/79/55/570397955.db2.gz GCZNVNZUZUTSRN-UHFFFAOYSA-N 0 0 390.483 4.364 50 10 GICARN CCCCNC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004747577 570402091 /nfs/dbraw/zinc/40/20/91/570402091.db2.gz MZZMSMYWDHWDMA-FYWRMAATSA-N 0 0 396.603 4.426 50 10 GICARN COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000004949523 570419523 /nfs/dbraw/zinc/41/95/23/570419523.db2.gz ZLAIJVDLTWZZRR-SFHVURJKSA-N 0 0 396.531 4.109 50 10 GICARN O=C1NC(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1c1cccc(Cl)c1 ZINC000004950719 570419587 /nfs/dbraw/zinc/41/95/87/570419587.db2.gz DIHOJKWBBJKSMF-GZTJUZNOSA-N 0 0 385.826 4.177 50 10 GICARN CCN(CC)c1ccc(C=C2C(=O)OC(c3ccc(SC)cc3)OC2=O)cc1 ZINC000006391941 570478791 /nfs/dbraw/zinc/47/87/91/570478791.db2.gz AFJPJQMRUTUZSY-UHFFFAOYSA-N 0 0 397.496 4.437 50 10 GICARN O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000054360775 570501262 /nfs/dbraw/zinc/50/12/62/570501262.db2.gz BMAKBGHEGRCYTB-LSCVHKIXSA-N 0 0 395.461 4.140 50 10 GICARN O=C(Cc1cccs1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000002777259 570515726 /nfs/dbraw/zinc/51/57/26/570515726.db2.gz FFFMPBMWQKSZDX-UHFFFAOYSA-N 0 0 392.524 4.218 50 10 GICARN Cc1c([O-])c(C[NH2+]Cc2c(F)cccc2Cl)cc2c3c(c(=O)oc12)CCC3 ZINC000006669957 570528203 /nfs/dbraw/zinc/52/82/03/570528203.db2.gz FUMMITBLTKQSPU-UHFFFAOYSA-N 0 0 387.838 4.378 50 10 GICARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccccc2)C12C(=O)c1ccccc1C2=O ZINC000022781082 570538970 /nfs/dbraw/zinc/53/89/70/570538970.db2.gz LTUQYWGSUQFIAA-PMACEKPBSA-N 0 0 397.386 4.257 50 10 GICARN CC(NCCc1ccc(O)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000009059880 570547583 /nfs/dbraw/zinc/54/75/83/570547583.db2.gz BESSJBZHGBVXFS-NKFKGCMQSA-N 0 0 397.478 4.249 50 10 GICARN COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)c1O ZINC000036348676 570631093 /nfs/dbraw/zinc/63/10/93/570631093.db2.gz JZRNRQPWRJPEMV-OAQYLSRUSA-N 0 0 384.426 4.476 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)oc3C)c2C)cc1 ZINC000006830964 570634220 /nfs/dbraw/zinc/63/42/20/570634220.db2.gz DRKDENMOVITVHX-UHFFFAOYSA-N 0 0 381.428 4.352 50 10 GICARN O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000006831384 570634726 /nfs/dbraw/zinc/63/47/26/570634726.db2.gz NJEGXJORFHFSRL-ZHZULCJRSA-N 0 0 395.890 4.423 50 10 GICARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000004904582 570647054 /nfs/dbraw/zinc/64/70/54/570647054.db2.gz PJSGDIRZLQJGBM-GDNBJRDFSA-N 0 0 391.345 4.171 50 10 GICARN Cc1ccc(C)c(N2CCN(Cc3cc(Br)ccc3O)CC2)c1 ZINC000053184655 570674137 /nfs/dbraw/zinc/67/41/37/570674137.db2.gz PNXGTIMRVWTPRC-UHFFFAOYSA-N 0 0 375.310 4.094 50 10 GICARN COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000003130494 570680765 /nfs/dbraw/zinc/68/07/65/570680765.db2.gz DEJVHYDSYIKVEG-UHFFFAOYSA-N 0 0 398.418 4.279 50 10 GICARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3O)C2)c1 ZINC000004393221 570729124 /nfs/dbraw/zinc/72/91/24/570729124.db2.gz BVMRIMXGIJZDTI-SFHVURJKSA-N 0 0 378.453 4.454 50 10 GICARN Cc1cc(NS(=O)(=O)c2ccccc2)c(C(C)C)c(Br)c1O ZINC000000947566 570734765 /nfs/dbraw/zinc/73/47/65/570734765.db2.gz AKYSZNCRWRUZRE-UHFFFAOYSA-N 0 0 384.295 4.387 50 10 GICARN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000059387593 570738418 /nfs/dbraw/zinc/73/84/18/570738418.db2.gz WCLBYQHUPWBASZ-UHFFFAOYSA-N 0 0 394.346 4.150 50 10 GICARN COc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000013751461 570785091 /nfs/dbraw/zinc/78/50/91/570785091.db2.gz MQURDZXAUBAZGN-STZFKDTASA-N 0 0 387.439 4.200 50 10 GICARN CSC1=NC(C)(C)C[C@]2(C[C@H](c3cccs3)c3ccc(O)c(O)c3O2)N1 ZINC000005840071 570796696 /nfs/dbraw/zinc/79/66/96/570796696.db2.gz MBCPPOKJQJROEC-HXPMCKFVSA-N 0 0 390.530 4.261 50 10 GICARN CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000007125143 570797019 /nfs/dbraw/zinc/79/70/19/570797019.db2.gz JDDAYKGDCJQRPD-UHFFFAOYSA-N 0 0 381.457 4.030 50 10 GICARN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1 ZINC000071384821 570832377 /nfs/dbraw/zinc/83/23/77/570832377.db2.gz MIMCEXWBANAVQY-HNNXBMFYSA-N 0 0 376.547 4.048 50 10 GICARN O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000004688431 570834409 /nfs/dbraw/zinc/83/44/09/570834409.db2.gz NJEGXJORFHFSRL-XSFVSMFZSA-N 0 0 395.890 4.423 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1O ZINC000004689863 570835178 /nfs/dbraw/zinc/83/51/78/570835178.db2.gz JTPQZBJBKQFDQK-AQTBWJFISA-N 0 0 385.510 4.235 50 10 GICARN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000004580915 570911482 /nfs/dbraw/zinc/91/14/82/570911482.db2.gz XZLFCYMYFAIGIS-XNTDXEJSSA-N 0 0 388.901 4.195 50 10 GICARN COc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000001116427 570931382 /nfs/dbraw/zinc/93/13/82/570931382.db2.gz FTXDSEBFEWASFC-UHFFFAOYSA-N 0 0 379.382 4.068 50 10 GICARN COc1ccc(N2CC[C@H](CNC(=S)Nc3ccc(F)c(Cl)c3)C2)cc1 ZINC000003051069 817415482 /nfs/dbraw/zinc/41/54/82/817415482.db2.gz MWDVYXSXMJTYEX-CYBMUJFWSA-N 0 0 393.915 4.301 50 10 GICARN CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000007884774 817950558 /nfs/dbraw/zinc/95/05/58/817950558.db2.gz NQFHIIULHKFWQW-JOCHJYFZSA-N 0 0 391.446 4.025 50 10 GICARN C[C@@H]1CCN(C(=O)CN(C)Cc2ccc(N(C)C)cc2)c2ccccc2S1 ZINC000007990542 817977465 /nfs/dbraw/zinc/97/74/65/817977465.db2.gz RALISEZULMHLPK-QGZVFWFLSA-N 0 0 383.561 4.102 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C)c2C)cc1 ZINC000008025374 817985152 /nfs/dbraw/zinc/98/51/52/817985152.db2.gz DFADLOKCBPOEPW-UHFFFAOYSA-N 0 0 396.516 4.084 50 10 GICARN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000027520517 820255975 /nfs/dbraw/zinc/25/59/75/820255975.db2.gz DBAYNCYIFYUCQN-UYRXBGFRSA-N 0 0 379.416 4.498 50 10 GICARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(Br)cc3)C2=N)S1 ZINC000027549452 820258996 /nfs/dbraw/zinc/25/89/96/820258996.db2.gz DUKSPQMCYRORRS-PEMMUPCOSA-N 0 0 391.294 4.114 50 10 GICARN Cc1cc(C)c2c(N)c(C(=O)OCc3nc4ccccc4nc3C)sc2n1 ZINC000039494603 821106721 /nfs/dbraw/zinc/10/67/21/821106721.db2.gz NQNLRZXEJPTUAZ-UHFFFAOYSA-N 0 0 378.457 4.104 50 10 GICARN Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)CCC(C)C)cc3)C2=O)cc1C ZINC000017146060 210206765 /nfs/dbraw/zinc/20/67/65/210206765.db2.gz GLHLDPSTPBUJLY-JCMHNJIXSA-N 0 0 391.515 4.247 50 10 GICARN CCN1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(C)cc3)C2=O)SC1=S ZINC000016729781 210194604 /nfs/dbraw/zinc/19/46/04/210194604.db2.gz BMSOTRLUIAMTFU-ZCXUNETKSA-N 0 0 394.521 4.133 50 10 GICARN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000013880853 210095644 /nfs/dbraw/zinc/09/56/44/210095644.db2.gz VCYFLFRKUADARP-RGEXLXHISA-N 0 0 396.537 4.237 50 10 GICARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000013844723 210093315 /nfs/dbraw/zinc/09/33/15/210093315.db2.gz DDRQSAAJQGSWHN-SWZGKVDCSA-N 0 0 380.494 4.179 50 10 GICARN CC(NCc1ccccc1Cl)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000013856399 210093392 /nfs/dbraw/zinc/09/33/92/210093392.db2.gz LORFVEALJDWUGT-PDGQHHTCSA-N 0 0 384.823 4.035 50 10 GICARN CCOc1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccc(N(C)C)cc3)C(=N)N21 ZINC000013815847 210091618 /nfs/dbraw/zinc/09/16/18/210091618.db2.gz ZVOLNZGTOUDASR-SAIIIAOYSA-N 0 0 392.484 4.020 50 10 GICARN Cc1ccsc1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000013713711 210083390 /nfs/dbraw/zinc/08/33/90/210083390.db2.gz MYPSPWPACOZACJ-CHHVJCJISA-N 0 0 375.496 4.187 50 10 GICARN COc1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)c([N+](=O)[O-])cc1OC ZINC000013546705 210066977 /nfs/dbraw/zinc/06/69/77/210066977.db2.gz HWBLCKFDDBNRBD-QPEQYQDCSA-N 0 0 387.775 4.247 50 10 GICARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1CCc1ccc(O)cc1 ZINC000010232937 209854903 /nfs/dbraw/zinc/85/49/03/209854903.db2.gz UCZBLJUBIOMIRN-WQRHYEAKSA-N 0 0 380.494 4.317 50 10 GICARN CN(C)c1ccc(CNC(=O)c2sc3ncccc3c2-n2cccc2)cc1 ZINC000008610839 209789011 /nfs/dbraw/zinc/78/90/11/209789011.db2.gz OJMGJYKHJKWXHM-UHFFFAOYSA-N 0 0 376.485 4.083 50 10 GICARN CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc21 ZINC000006948876 209711792 /nfs/dbraw/zinc/71/17/92/209711792.db2.gz KBYVELMOCPAZTM-STZFKDTASA-N 0 0 378.435 4.451 50 10 GICARN CCOc1ccc(C2=C/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)O2)cc1 ZINC000004866032 209535252 /nfs/dbraw/zinc/53/52/52/209535252.db2.gz CJHGQSWCDMIMCA-YBEGLDIGSA-N 0 0 382.412 4.092 50 10 GICARN COc1ccc(C2(CC(=O)Nc3ccccc3C)C(=O)c3ccccc3C2=O)cc1 ZINC000004824767 209529742 /nfs/dbraw/zinc/52/97/42/209529742.db2.gz GIZOWWFLWAOLEL-UHFFFAOYSA-N 0 0 399.446 4.349 50 10 GICARN COc1cc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc(OC)c1OC ZINC000004623244 209504337 /nfs/dbraw/zinc/50/43/37/209504337.db2.gz UHNQTVOAYPLSOF-UHFFFAOYSA-N 0 0 377.400 4.220 50 10 GICARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=NOC23C(=O)c2ccccc2C3=O)cc1 ZINC000004334796 209480209 /nfs/dbraw/zinc/48/02/09/209480209.db2.gz KIZFIJFBJMWTAY-HXUWFJFHSA-N 0 0 395.414 4.166 50 10 GICARN CCCN(CCC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc1 ZINC000002933685 209398204 /nfs/dbraw/zinc/39/82/04/209398204.db2.gz LNHRJOPZBRGQKS-HXUWFJFHSA-N 0 0 398.576 4.217 50 10 GICARN CC[C@@H](C)N1C(=O)C(=Cc2ccc(N3CCCCCC3)cc2)C(=O)NC1=S ZINC000002426548 209364167 /nfs/dbraw/zinc/36/41/67/209364167.db2.gz YJOJILZALHVPAN-LWFDYCOSSA-N 0 0 385.533 4.333 50 10 GICARN Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000002261779 209353717 /nfs/dbraw/zinc/35/37/17/209353717.db2.gz AFFGHMHKALWNGZ-LGMDPLHJSA-N 0 0 382.510 4.225 50 10 GICARN Cn1cc(C=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c2ccccc21 ZINC000001244331 209317807 /nfs/dbraw/zinc/31/78/07/209317807.db2.gz ZQUFHMKGEVUVRS-AQTBWJFISA-N 0 0 393.512 4.107 50 10 GICARN COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000001207601 209314348 /nfs/dbraw/zinc/31/43/48/209314348.db2.gz IBXNLQKWCQRVLQ-BOPFTXTBSA-N 0 0 383.494 4.496 50 10 GICARN O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccccc1OCc1ccccc1 ZINC000001185327 209311816 /nfs/dbraw/zinc/31/18/16/209311816.db2.gz GCCMOXLQXDQJOF-UHFFFAOYSA-N 0 0 386.403 4.448 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3ccc(C)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000001150182 209306272 /nfs/dbraw/zinc/30/62/72/209306272.db2.gz NYZALZPWQQVPLD-MHWRWJLKSA-N 0 0 386.454 4.318 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1OC ZINC000001139236 209304887 /nfs/dbraw/zinc/30/48/87/209304887.db2.gz QREVTUQZWNXJRH-ATVHPVEESA-N 0 0 377.531 4.485 50 10 GICARN O=C1CCCN1c1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001024473 209289967 /nfs/dbraw/zinc/28/99/67/209289967.db2.gz KSIXYPRIQFCIHB-UHFFFAOYSA-N 0 0 396.446 4.200 50 10 GICARN Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000000954517 209284000 /nfs/dbraw/zinc/28/40/00/209284000.db2.gz FQTGOEJHXNRRRC-KGENOOAVSA-N 0 0 385.467 4.172 50 10 GICARN Cc1cc(C(=O)CSc2nnc3ccccn32)c(C)n1-c1ccc(C)cc1 ZINC000000944330 209282143 /nfs/dbraw/zinc/28/21/43/209282143.db2.gz BDIBVTWWRGIXQA-UHFFFAOYSA-N 0 0 376.485 4.420 50 10 GICARN COc1ccc2c(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)c[nH]c2c1 ZINC000009420009 209279207 /nfs/dbraw/zinc/27/92/07/209279207.db2.gz KKKKRWVKEYPHEE-REZTVBANSA-N 0 0 382.466 4.288 50 10 GICARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000000842963 209271855 /nfs/dbraw/zinc/27/18/55/209271855.db2.gz KLTJTFJXHRUSGM-RGEXLXHISA-N 0 0 381.859 4.255 50 10 GICARN Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccccc1 ZINC000000628664 209252229 /nfs/dbraw/zinc/25/22/29/209252229.db2.gz CCFNUARFKRJEIR-UHFFFAOYSA-N 0 0 389.484 4.045 50 10 GICARN COc1cccc(Oc2c(C)oc3c(ccc([O-])c3C[NH+]3CCCC3)c2=O)c1 ZINC000020444434 209235861 /nfs/dbraw/zinc/23/58/61/209235861.db2.gz RHGHWEFICNJBNK-UHFFFAOYSA-N 0 0 381.428 4.204 50 10 GICARN COc1ccc(C(=O)COc2ccc3c(c2)oc(=O)c2cc(OC)ccc32)cc1 ZINC000001184575 209227847 /nfs/dbraw/zinc/22/78/47/209227847.db2.gz WRNALSODQOYUMC-UHFFFAOYSA-N 0 0 390.391 4.225 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccccc1C ZINC000005249931 211561120 /nfs/dbraw/zinc/56/11/20/211561120.db2.gz FUJOBLJDAWSRBY-VGZNWPKRSA-N 0 0 377.473 4.042 50 10 GICARN Cc1ccn2c(c1)c(C(=O)OCc1ccccc1)c1c2C(=O)c2ccccc2C1=O ZINC000002694686 211516497 /nfs/dbraw/zinc/51/64/97/211516497.db2.gz XXNQIJYDOWZOAR-UHFFFAOYSA-N 0 0 395.414 4.380 50 10 GICARN Oc1ccc(Br)cc1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000097840729 211374717 /nfs/dbraw/zinc/37/47/17/211374717.db2.gz PQXCVXZEYFMBBF-UHFFFAOYSA-N 0 0 395.728 4.126 50 10 GICARN O=C(/N=N/C(=O)OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000095851259 211282775 /nfs/dbraw/zinc/28/27/75/211282775.db2.gz LIEOEYTUTSDYKB-BUHFOSPRSA-N 0 0 380.826 4.452 50 10 GICARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000095392559 211236688 /nfs/dbraw/zinc/23/66/88/211236688.db2.gz VUTBFPSMOMYISB-CQSZACIVSA-N 0 0 399.844 4.114 50 10 GICARN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000060360663 210927299 /nfs/dbraw/zinc/92/72/99/210927299.db2.gz NQXDEENPCTZKSY-FQEVSTJZSA-N 0 0 395.547 4.171 50 10 GICARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc21 ZINC000019884542 210304467 /nfs/dbraw/zinc/30/44/67/210304467.db2.gz LGWRSWAGVAZZHP-UHFFFAOYSA-N 0 0 381.325 4.385 50 10 GICARN Oc1c([C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc2cccnc21 ZINC000019680919 210282276 /nfs/dbraw/zinc/28/22/76/210282276.db2.gz HCJRDVCEUFLOHP-LJQANCHMSA-N 0 0 388.389 4.381 50 10 GICARN Cc1cc(C)cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1 ZINC000065096216 136159050 /nfs/dbraw/zinc/15/90/50/136159050.db2.gz KUPQPAWQFRYXGX-UHFFFAOYSA-N 0 0 396.512 4.083 50 10 GICARN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2ccccc2cc1O ZINC000069529668 136165271 /nfs/dbraw/zinc/16/52/71/136165271.db2.gz SMANDCIZEMPCAS-UHFFFAOYSA-N 0 0 378.497 4.029 50 10 GICARN COc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1OC ZINC000002115769 136193316 /nfs/dbraw/zinc/19/33/16/136193316.db2.gz NZAMWYRJZPZYQA-UHFFFAOYSA-N 0 0 393.439 4.046 50 10 GICARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2CN1C(=O)c2ccccc2C1=O ZINC000000756408 521286811 /nfs/dbraw/zinc/28/68/11/521286811.db2.gz FIQUASQWBWYPAN-UHFFFAOYSA-N 0 0 376.456 4.341 50 10 GICARN C[C@@H]1CN2c3ccccc3C(C)(C)[C@@]2(/C=C/c2ccc(N(C)C)cc2)NC1=O ZINC000004817373 570235706 /nfs/dbraw/zinc/23/57/06/570235706.db2.gz YXVYMGORJIFWRG-GFLSLHFZSA-N 0 0 375.516 4.026 50 10 GICARN COc1ccccc1N[C@@H]1SC(=O)N(c2ccc(Br)cc2)C1=O ZINC000003145318 570330795 /nfs/dbraw/zinc/33/07/95/570330795.db2.gz YJWGQLZFHOYHMK-CQSZACIVSA-N 0 0 393.262 4.096 50 10 GICARN CN(C)c1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000035430003 570357932 /nfs/dbraw/zinc/35/79/32/570357932.db2.gz FTBCKMLTTMABAS-UHFFFAOYSA-N 0 0 397.482 4.369 50 10 GICARN CC(C)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c1O ZINC000004148284 570359788 /nfs/dbraw/zinc/35/97/88/570359788.db2.gz DPIDZKTWCWLXCL-UHFFFAOYSA-N 0 0 378.450 4.348 50 10 GICARN CSc1ccc(Cl)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000010907065 570362929 /nfs/dbraw/zinc/36/29/29/570362929.db2.gz KHAHKCDFCBZQJH-UHFFFAOYSA-N 0 0 390.936 4.171 50 10 GICARN Cc1cc(C(=O)Cn2ncc3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000008190425 570364518 /nfs/dbraw/zinc/36/45/18/570364518.db2.gz FEODXPLJXOGBEQ-UHFFFAOYSA-N 0 0 391.858 4.340 50 10 GICARN Cc1c(Cl)c(O)c(C(C)C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004284246 570365754 /nfs/dbraw/zinc/36/57/54/570365754.db2.gz LLVDCVMQWBJGBB-UHFFFAOYSA-N 0 0 384.841 4.186 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000033558175 570373475 /nfs/dbraw/zinc/37/34/75/570373475.db2.gz WSOVMIDDFIJMTF-CSCXBHOMSA-N 0 0 397.891 4.387 50 10 GICARN COC(=O)CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S ZINC000004482659 570377720 /nfs/dbraw/zinc/37/77/20/570377720.db2.gz INJHLKDASFFZKL-GHRIWEEISA-N 0 0 399.493 4.243 50 10 GICARN Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 ZINC000005005477 570394341 /nfs/dbraw/zinc/39/43/41/570394341.db2.gz XHZCKABQIPCHIE-GHRIWEEISA-N 0 0 382.510 4.225 50 10 GICARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]c3C)CC2)cc1 ZINC000033139618 570402291 /nfs/dbraw/zinc/40/22/91/570402291.db2.gz WWRAAASGIHHLFY-UHFFFAOYSA-N 0 0 389.499 4.270 50 10 GICARN CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(Br)cc2)SC1=S ZINC000005807200 570415136 /nfs/dbraw/zinc/41/51/36/570415136.db2.gz CIFUBNNLWIYJIM-KPKJPENVSA-N 0 0 394.319 4.060 50 10 GICARN COc1ccccc1/C=C1/SC(=S)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000027530334 570435100 /nfs/dbraw/zinc/43/51/00/570435100.db2.gz SZWKCJRGFMHCJU-GZTJUZNOSA-N 0 0 384.482 4.059 50 10 GICARN CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1 ZINC000028288282 570454744 /nfs/dbraw/zinc/45/47/44/570454744.db2.gz ASVVCVHBUZBIOG-UHFFFAOYSA-N 0 0 375.472 4.393 50 10 GICARN COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc(OC)c1OC ZINC000005173574 570492473 /nfs/dbraw/zinc/49/24/73/570492473.db2.gz BUIXLMUPYOKTDC-PXNMLYILSA-N 0 0 386.835 4.172 50 10 GICARN CCCCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000005214253 570512062 /nfs/dbraw/zinc/51/20/62/570512062.db2.gz FUAZUFQPYBCLPY-DTQAZKPQSA-N 0 0 393.530 4.020 50 10 GICARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccccc2C)C1=O ZINC000005214145 570512138 /nfs/dbraw/zinc/51/21/38/570512138.db2.gz VCNPRSNVRDYLPB-COVZNBLNSA-N 0 0 394.521 4.488 50 10 aggregator GICARN CCOC(=O)c1ccc(NC2=NC(=O)C(=Cc3ccc(N(C)C)cc3)S2)cc1 ZINC000008783585 570541844 /nfs/dbraw/zinc/54/18/44/570541844.db2.gz WLDDFQAGEKFWMW-QGOAFFKASA-N 0 0 395.484 4.012 50 10 GICARN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000034864953 570545794 /nfs/dbraw/zinc/54/57/94/570545794.db2.gz RFODPLNGTHYCKE-JCMHNJIXSA-N 0 0 393.446 4.151 50 10 GICARN CCc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000009188754 570551258 /nfs/dbraw/zinc/55/12/58/570551258.db2.gz PYQCLJNOSRSEMF-ATVHPVEESA-N 0 0 382.510 4.104 50 10 GICARN Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)SC1=S ZINC000009232381 570553173 /nfs/dbraw/zinc/55/31/73/570553173.db2.gz UPRNAAWVUZIBTJ-XMHGGMMESA-N 0 0 396.537 4.237 50 10 GICARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1-c1ccccc1 ZINC000005363990 570564621 /nfs/dbraw/zinc/56/46/21/570564621.db2.gz OJJKFVJYGJCZJA-UHFFFAOYSA-N 0 0 392.484 4.458 50 10 GICARN CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OC ZINC000005428316 570590793 /nfs/dbraw/zinc/59/07/93/570590793.db2.gz HJUYVYFHUZKMPR-YVLHZVERSA-N 0 0 398.846 4.470 50 10 GICARN COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000169681516 570601961 /nfs/dbraw/zinc/60/19/61/570601961.db2.gz JFJJWMWSKHJBSG-CVDCTZTESA-N 0 0 387.439 4.347 50 10 GICARN CCc1ccc(/C=C2\SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 ZINC000005516443 570623815 /nfs/dbraw/zinc/62/38/15/570623815.db2.gz SMALYSCWSGYDFI-PGMHBOJBSA-N 0 0 391.540 4.350 50 10 GICARN O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1 ZINC000013596513 570660163 /nfs/dbraw/zinc/66/01/63/570660163.db2.gz LMJRPSSFKJCKER-ZROIWOOFSA-N 0 0 392.864 4.025 50 10 GICARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000005781523 570670409 /nfs/dbraw/zinc/67/04/09/570670409.db2.gz HFCFVQUVNXJRIY-GYZOOYGHSA-N 0 0 398.484 4.082 50 10 GICARN Cn1cccc1/C=C1\SC(=S)N(c2ccccc2Br)C1=O ZINC000013811614 570698827 /nfs/dbraw/zinc/69/88/27/570698827.db2.gz ZZPJVRJCMDXKJB-LCYFTJDESA-N 0 0 379.304 4.193 50 10 GICARN COc1ccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 ZINC000101129608 570815787 /nfs/dbraw/zinc/81/57/87/570815787.db2.gz WGEPVOHYMOAYLC-GZTJUZNOSA-N 0 0 386.249 4.176 50 10 GICARN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(F)cc4)N=C3C)sc2c1 ZINC000101350154 570820953 /nfs/dbraw/zinc/82/09/53/570820953.db2.gz IKLIYRRFAGJZKG-GDNBJRDFSA-N 0 0 382.420 4.163 50 10 GICARN COc1ccccc1N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S ZINC000004691262 570840064 /nfs/dbraw/zinc/84/00/64/570840064.db2.gz NJTRSVQTJCBOTK-WQLSENKSSA-N 0 0 396.287 4.457 50 10 GICARN COCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1 ZINC000044085841 570862810 /nfs/dbraw/zinc/86/28/10/570862810.db2.gz WJYCGQNEYKEMBY-UHFFFAOYSA-N 0 0 381.501 4.236 50 10 GICARN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000170609731 570865939 /nfs/dbraw/zinc/86/59/39/570865939.db2.gz HFJFCMIBLDDVEI-HNNXBMFYSA-N 0 0 390.439 4.082 50 10 GICARN COc1cccc(C2=NC(C)(C)N[C@@H](c3cc(Br)ccc3O)C2)c1 ZINC000004729716 570884610 /nfs/dbraw/zinc/88/46/10/570884610.db2.gz BEJCJRYKASXBQI-QGZVFWFLSA-N 0 0 389.293 4.423 50 10 GICARN COc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000005738802 570915869 /nfs/dbraw/zinc/91/58/69/570915869.db2.gz BKVJDXRLWJAQRT-TYILLQQXSA-N 0 0 397.387 4.347 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Br ZINC000001116910 570931293 /nfs/dbraw/zinc/93/12/93/570931293.db2.gz DSZCNKJNSSDDBO-QPEQYQDCSA-N 0 0 386.336 4.315 50 10 GICARN C[C@H](c1ccccc1)n1cnn(CN(C)Cc2ccc(N(C)C)cc2)c1=S ZINC000054440552 570942205 /nfs/dbraw/zinc/94/22/05/570942205.db2.gz OOUWDPRGQHYCQM-QGZVFWFLSA-N 0 0 381.549 4.179 50 10 GICARN CCN1C(=O)/C(=C\c2sccc2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000004739422 570953925 /nfs/dbraw/zinc/95/39/25/570953925.db2.gz VQYWOBIVIAARFC-GXDHUFHOSA-N 0 0 390.917 4.274 50 10 GICARN C[C@@H](Sc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000052913959 570956743 /nfs/dbraw/zinc/95/67/43/570956743.db2.gz QBAQIKNSBZAUQS-SSDOTTSWSA-N 0 0 377.369 4.189 50 10 GICARN CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1O ZINC000001307498 570957414 /nfs/dbraw/zinc/95/74/14/570957414.db2.gz JODHEPSOPJRJBT-CXUHLZMHSA-N 0 0 375.446 4.336 50 10 GICARN COc1ccc2ccc(O)c(CN3CCCc4cc(C(=O)N(C)C)ccc43)c2c1 ZINC000083847531 570968519 /nfs/dbraw/zinc/96/85/19/570968519.db2.gz JUULQGRZJSJGAT-UHFFFAOYSA-N 0 0 390.483 4.209 50 10 GICARN COc1ccc(N2CC[C@H](CNC(=S)Nc3cccc(SC)c3)C2)cc1 ZINC000003050176 817415519 /nfs/dbraw/zinc/41/55/19/817415519.db2.gz JGZAQWXZHMDCAS-OAHLLOKOSA-N 0 0 387.574 4.230 50 10 GICARN Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003372988 817444000 /nfs/dbraw/zinc/44/40/00/817444000.db2.gz ILKHGRIDFBOTDY-BDJLRTHQSA-N 0 0 377.387 4.077 50 10 GICARN CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(N(C)C)cc3)NC(=O)CCN21 ZINC000004000035 817495727 /nfs/dbraw/zinc/49/57/27/817495727.db2.gz KUKMKNWWKPVPMV-IVYUTVGYSA-N 0 0 389.543 4.342 50 10 GICARN COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c1C ZINC000004150642 817506921 /nfs/dbraw/zinc/50/69/21/817506921.db2.gz RYCNNACKWBBJLH-JTKJEDPUSA-N 0 0 392.484 4.188 50 10 GICARN Cc1cccc(NC2=NC(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)S2)c1 ZINC000006831642 817718170 /nfs/dbraw/zinc/71/81/70/817718170.db2.gz WLCVBAHHLYKYAG-BOPFTXTBSA-N 0 0 382.445 4.052 50 10 GICARN C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccccc1 ZINC000008023600 817984606 /nfs/dbraw/zinc/98/46/06/817984606.db2.gz FMTBWKOLRDZOJC-XXBNENTESA-N 0 0 380.532 4.454 50 10 GICARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)C2=N)S1 ZINC000022215680 818783631 /nfs/dbraw/zinc/78/36/31/818783631.db2.gz NGWPCTPZWZSUQU-FGECJLSQSA-N 0 0 397.287 4.421 50 10 GICARN COc1ccccc1NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000040074771 821132766 /nfs/dbraw/zinc/13/27/66/821132766.db2.gz AJSNRZBEXDMHNP-UHFFFAOYSA-N 0 0 378.428 4.126 50 10 GICARN Cc1ccc(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F ZINC000018919870 210219852 /nfs/dbraw/zinc/21/98/52/210219852.db2.gz VHKFNOQDELHFJZ-UHFFFAOYSA-N 0 0 388.346 4.375 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000017265356 210207648 /nfs/dbraw/zinc/20/76/48/210207648.db2.gz YQZFRFIBNBWANJ-UYRXBGFRSA-N 0 0 381.403 4.102 50 10 GICARN Cc1ccccc1OCCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O ZINC000017185965 210205638 /nfs/dbraw/zinc/20/56/38/210205638.db2.gz AMSNGIWCYJWCNP-XMHGGMMESA-N 0 0 382.485 4.176 50 10 GICARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000013800034 210092720 /nfs/dbraw/zinc/09/27/20/210092720.db2.gz VCDNQVBJWWSZOS-RIYZIHGNSA-N 0 0 393.331 4.345 50 10 GICARN COc1ccc2c(c1)c(/C=C1/SC(=S)N(Cc3ccco3)C1=O)c(C)n2C ZINC000013735008 210085612 /nfs/dbraw/zinc/08/56/12/210085612.db2.gz KHHLIRLWGTUOAK-VCHYOVAHSA-N 0 0 398.509 4.490 50 10 GICARN COc1ccccc1N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S ZINC000013690156 210080727 /nfs/dbraw/zinc/08/07/27/210080727.db2.gz MYUMOXWFMBEJPM-LICLKQGHSA-N 0 0 379.466 4.044 50 10 GICARN O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1CCc1ccccc1 ZINC000013689018 210079811 /nfs/dbraw/zinc/07/98/11/210079811.db2.gz UDOLVXSNOVEFCE-LGMDPLHJSA-N 0 0 377.494 4.074 50 10 GICARN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000013659804 210076682 /nfs/dbraw/zinc/07/66/82/210076682.db2.gz OKNUPJJLLMUUPE-DHDCSXOGSA-N 0 0 377.874 4.460 50 10 GICARN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1ccco1 ZINC000013573606 210068269 /nfs/dbraw/zinc/06/82/69/210068269.db2.gz FTKKOHZXGLOFCV-MDWZMJQESA-N 0 0 380.288 4.444 50 10 GICARN CO[C@H](C(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O)c1ccccc1 ZINC000009419288 209828159 /nfs/dbraw/zinc/82/81/59/209828159.db2.gz VQSQHUGMJKHABK-GMAHTHKFSA-N 0 0 386.451 4.458 50 10 GICARN OCCNC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000005051546 209562355 /nfs/dbraw/zinc/56/23/55/209562355.db2.gz RWWINPJHWPNZMH-UHFFFAOYSA-N 0 0 398.491 4.368 50 10 GICARN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(Cl)cc1 ZINC000004682041 209510465 /nfs/dbraw/zinc/51/04/65/209510465.db2.gz VARKSSQRJHOOPG-ODLFYWEKSA-N 0 0 395.842 4.420 50 10 GICARN CSc1ccc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1 ZINC000004648749 209505854 /nfs/dbraw/zinc/50/58/54/209505854.db2.gz MBVCJRCTBQNYIJ-OGJKRULYSA-N 0 0 398.538 4.332 50 10 GICARN CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(CC)s3)C2=O)nc1C ZINC000004544909 209495920 /nfs/dbraw/zinc/49/59/20/209495920.db2.gz WSMHPRMEDRPFQM-NTEUORMPSA-N 0 0 389.502 4.058 50 10 GICARN CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccc2nsnc21 ZINC000002457893 209365157 /nfs/dbraw/zinc/36/51/57/209365157.db2.gz FDVHGDNOQKTMTI-UHFFFAOYSA-N 0 0 375.519 4.420 50 10 GICARN O=C(c1cccs1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000002777333 209383752 /nfs/dbraw/zinc/38/37/52/209383752.db2.gz CNUUYFHCMJPWAS-UHFFFAOYSA-N 0 0 378.497 4.290 50 10 GICARN Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002444159 209363772 /nfs/dbraw/zinc/36/37/72/209363772.db2.gz XKKVWKQTGJWEMD-UHFFFAOYSA-N 0 0 397.500 4.166 50 10 GICARN Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000002240162 209352773 /nfs/dbraw/zinc/35/27/73/209352773.db2.gz LGCIBRIQSGDGCY-LGMDPLHJSA-N 0 0 382.510 4.225 50 10 GICARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc2c(c1)OCO2 ZINC000010215219 209321467 /nfs/dbraw/zinc/32/14/67/209321467.db2.gz LTXISQBKRVUWGH-MBSDFSHPSA-N 0 0 386.407 4.363 50 10 GICARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(C)=O)cc1OC ZINC000001235439 209318052 /nfs/dbraw/zinc/31/80/52/209318052.db2.gz NBYYSHWZVCHIJM-FQEVSTJZSA-N 0 0 390.439 4.260 50 10 GICARN O=C1N=C(Nc2cccc(Cl)c2Cl)SC1=Cc1ccc(O)c(O)c1 ZINC000001218300 209316591 /nfs/dbraw/zinc/31/65/91/209316591.db2.gz UDNPQZBJXPYUMM-QPEQYQDCSA-N 0 0 381.240 4.487 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000001229699 209316004 /nfs/dbraw/zinc/31/60/04/209316004.db2.gz XXNXDXKEBDJWLU-WJDWOHSUSA-N 0 0 386.454 4.399 50 10 GICARN O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1ccccc1 ZINC000001213533 209314616 /nfs/dbraw/zinc/31/46/16/209314616.db2.gz MQOZYIXXGSYWKN-AQTBWJFISA-N 0 0 390.489 4.386 50 10 GICARN COc1ccc(C2=C/C(=C/c3ccc(Br)cc3)C(=O)O2)c(OC)c1 ZINC000001196229 209312987 /nfs/dbraw/zinc/31/29/87/209312987.db2.gz MIXLKWMBXHBMGR-LCYFTJDESA-N 0 0 387.229 4.448 50 10 GICARN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccco1 ZINC000001161887 209308856 /nfs/dbraw/zinc/30/88/56/209308856.db2.gz URYXXQUMUKOUJR-GDNBJRDFSA-N 0 0 377.318 4.176 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000001160816 209308486 /nfs/dbraw/zinc/30/84/86/209308486.db2.gz IDMCZZZCOREYOX-BOPFTXTBSA-N 0 0 398.802 4.125 50 10 GICARN CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(N3CCOCC3)cc2)c1C ZINC000001046817 209292572 /nfs/dbraw/zinc/29/25/72/209292572.db2.gz FCHQYDCAWWOTDJ-UHFFFAOYSA-N 0 0 390.483 4.466 50 10 GICARN Cc1cc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)no1 ZINC000000946887 209282576 /nfs/dbraw/zinc/28/25/76/209282576.db2.gz IMWNEYJBYYRRFU-SFHVURJKSA-N 0 0 376.372 4.347 50 10 GICARN COc1ccc2nc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)ccc2c1 ZINC000009419373 209279432 /nfs/dbraw/zinc/27/94/32/209279432.db2.gz XUQZGFGBAQHXNO-LICLKQGHSA-N 0 0 382.466 4.238 50 10 GICARN CCOc1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC000000881670 209276097 /nfs/dbraw/zinc/27/60/97/209276097.db2.gz XIKAQQIFEVRKJB-UHFFFAOYSA-N 0 0 397.500 4.225 50 10 GICARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)cc1 ZINC000000823505 209269055 /nfs/dbraw/zinc/26/90/55/209269055.db2.gz XDVZBBHKOJWUPB-DLVCFXQMSA-N 0 0 399.535 4.283 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000000660205 209256179 /nfs/dbraw/zinc/25/61/79/209256179.db2.gz HJQPBZATJGMAFW-MOSHPQCFSA-N 0 0 377.440 4.189 50 10 GICARN COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)c2=O)cc1 ZINC000020411252 209236188 /nfs/dbraw/zinc/23/61/88/209236188.db2.gz KOPBLZZKBBVHNB-HNNXBMFYSA-N 0 0 379.456 4.406 50 10 GICARN COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)c2=O)cc1 ZINC000020412097 209235144 /nfs/dbraw/zinc/23/51/44/209235144.db2.gz SBXQZJQPCFPOEO-UHFFFAOYSA-N 0 0 379.456 4.406 50 10 GICARN Cc1ccc(NCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1C ZINC000334163076 209177132 /nfs/dbraw/zinc/17/71/32/209177132.db2.gz KZFKWLSDVLTOHL-UNOMPAQXSA-N 0 0 381.501 4.475 50 10 GICARN CCOc1cc(C=C2SC(NC3CCCC3)=NC2=O)cc(Cl)c1OC ZINC000096121211 211965377 /nfs/dbraw/zinc/96/53/77/211965377.db2.gz GGRMQTKNNJDISP-XNTDXEJSSA-N 0 0 380.897 4.250 50 10 GICARN CCOc1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)ccc1O ZINC000033294985 211945694 /nfs/dbraw/zinc/94/56/94/211945694.db2.gz PGXLJXZUDOJATE-QGOAFFKASA-N 0 0 385.510 4.235 50 10 GICARN COc1ccccc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000083318962 211164167 /nfs/dbraw/zinc/16/41/67/211164167.db2.gz ODAPVPZGHLNHAX-HMMYKYKNSA-N 0 0 399.406 4.438 50 10 GICARN CC(C)c1ccc(/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 ZINC000020356709 210328547 /nfs/dbraw/zinc/32/85/47/210328547.db2.gz FGHFSARICHERHV-ACUDIFQKSA-N 0 0 395.532 4.119 50 10 GICARN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173199864 136199534 /nfs/dbraw/zinc/19/95/34/136199534.db2.gz HWXXXPZDTIPRQT-UHFFFAOYSA-N 0 0 379.485 4.224 50 10 GICARN CN1CCCc2cc(/C=C\C(=O)Nc3nc(-c4ccccn4)cs3)ccc21 ZINC000222172657 136204765 /nfs/dbraw/zinc/20/47/65/136204765.db2.gz AMUGASZLTKUOAL-NTMALXAHSA-N 0 0 376.485 4.239 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccccc1 ZINC000000638384 570212976 /nfs/dbraw/zinc/21/29/76/570212976.db2.gz VVJJYKBLJUHEAJ-WJDWOHSUSA-N 0 0 383.831 4.226 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000005764747 570276258 /nfs/dbraw/zinc/27/62/58/570276258.db2.gz ABZQFYNIYXUSBD-CPNJWEJPSA-N 0 0 396.874 4.283 50 10 GICARN CC(NC1CCCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000101153618 570281140 /nfs/dbraw/zinc/28/11/40/570281140.db2.gz OBABZGLZGDFZAP-UVTDQMKNSA-N 0 0 394.422 4.367 50 10 GICARN COc1ccccc1[C@H](NC(=O)Cc1ccccc1)c1ccc2cccnc2c1O ZINC000004903387 570360770 /nfs/dbraw/zinc/36/07/70/570360770.db2.gz HLYAFBMYQJXBDZ-DEOSSOPVSA-N 0 0 398.462 4.397 50 10 GICARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1ccc(N(C)C)cc1 ZINC000004168134 570360852 /nfs/dbraw/zinc/36/08/52/570360852.db2.gz XRAJTVPUBDCKED-OFNKIYASSA-N 0 0 377.488 4.021 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(Cl)c3)C2=N)S1 ZINC000004908988 570361570 /nfs/dbraw/zinc/36/15/70/570361570.db2.gz NHFMGIPPTRQBJU-NIIVYLOLSA-N 0 0 383.864 4.160 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(COc3ccc(OC)cc3)o2)SC1=S ZINC000004652226 570389790 /nfs/dbraw/zinc/38/97/90/570389790.db2.gz RMWZYAAVOSSCFZ-MHWRWJLKSA-N 0 0 375.471 4.088 50 10 GICARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000010962647 570397854 /nfs/dbraw/zinc/39/78/54/570397854.db2.gz FSXVSCGDFCXOPF-UHFFFAOYSA-N 0 0 392.478 4.274 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000027530337 570435073 /nfs/dbraw/zinc/43/50/73/570435073.db2.gz ZIDIQGKWOLAUAQ-GZTJUZNOSA-N 0 0 384.482 4.059 50 10 GICARN CCCN1C(=O)/C(=C/c2ccccc2OCC)C(=O)N(c2ccccc2)C1=S ZINC000006310962 570476922 /nfs/dbraw/zinc/47/69/22/570476922.db2.gz ARAREOIHZFACOO-SDXDJHTJSA-N 0 0 394.496 4.039 50 10 GICARN COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000006721756 570550238 /nfs/dbraw/zinc/55/02/38/570550238.db2.gz JFJJWMWSKHJBSG-AUSIDOKSSA-N 0 0 387.439 4.347 50 10 GICARN Cc1cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c(C)n1-c1ccccc1 ZINC000006790473 570596045 /nfs/dbraw/zinc/59/60/45/570596045.db2.gz HWNAIPSQMQEPOH-UHFFFAOYSA-N 0 0 391.500 4.124 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000005516293 570624081 /nfs/dbraw/zinc/62/40/81/570624081.db2.gz BLFBPJVNJCEJGE-YNQUSLBMSA-N 0 0 391.500 4.350 50 10 GICARN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O ZINC000005529253 570625259 /nfs/dbraw/zinc/62/52/59/570625259.db2.gz UCIFBTCHBLWIKE-ADVUTCEVSA-N 0 0 383.311 4.350 50 10 GICARN O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccc(Cl)cc1 ZINC000013712527 570671006 /nfs/dbraw/zinc/67/10/06/570671006.db2.gz KYBDXMNHPOVONL-ZROIWOOFSA-N 0 0 392.864 4.025 50 10 GICARN CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OC(C)=O ZINC000001206315 570713769 /nfs/dbraw/zinc/71/37/69/570713769.db2.gz ZCNFHOOIEFUJPQ-GZTJUZNOSA-N 0 0 380.396 4.001 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000000970459 570740790 /nfs/dbraw/zinc/74/07/90/570740790.db2.gz WITLRGDPMQYEJW-CXUHLZMHSA-N 0 0 375.446 4.249 50 10 GICARN Nc1c(C(=O)c2cccc3ccccc32)ccc2c1C(=O)c1ccccc1C2=O ZINC000004644914 570777276 /nfs/dbraw/zinc/77/72/76/570777276.db2.gz GZXLSMOPTLKQSL-UHFFFAOYSA-N 0 0 377.399 4.428 50 10 GICARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCc1ccc(F)cc1 ZINC000007423344 570840935 /nfs/dbraw/zinc/84/09/35/570840935.db2.gz BJQOKNARUKWWDX-UHFFFAOYSA-N 0 0 389.883 4.288 50 10 GICARN O=C(NCc1ccccc1Cl)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004707476 570854910 /nfs/dbraw/zinc/85/49/10/570854910.db2.gz HKGHQKLILDUMAA-UHFFFAOYSA-N 0 0 378.819 4.111 50 10 GICARN Cc1ccc(N2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 ZINC000004719473 570859275 /nfs/dbraw/zinc/85/92/75/570859275.db2.gz DRSFQSBWSMRAPN-QNGOZBTKSA-N 0 0 384.435 4.035 50 10 GICARN C[C@H]1Cc2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)ccc2O1 ZINC000016810421 570911002 /nfs/dbraw/zinc/91/10/02/570911002.db2.gz VPEHQDFEVBNRNX-QIQQCEGHSA-N 0 0 381.522 4.454 50 10 GICARN Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1-c1ccc(F)cc1 ZINC000045501044 570991873 /nfs/dbraw/zinc/99/18/73/570991873.db2.gz HFESUNMMBIFKTQ-AWEZNQCLSA-N 0 0 393.418 4.205 50 10 GICARN COc1ccc(-c2ccc(CCC(=O)NCc3ccc(N(C)C)cc3)o2)cc1 ZINC000012777395 571031090 /nfs/dbraw/zinc/03/10/90/571031090.db2.gz FSDIUMKLBMMQBC-UHFFFAOYSA-N 0 0 378.472 4.270 50 10 GICARN Cc1cc(C(=O)CSc2ncnc3c2cnn3C)c(C)n1-c1ccc(C)cc1 ZINC000011495012 571049052 /nfs/dbraw/zinc/04/90/52/571049052.db2.gz PESBRPVIEAOEML-UHFFFAOYSA-N 0 0 391.500 4.054 50 10 GICARN Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000002285625 817382629 /nfs/dbraw/zinc/38/26/29/817382629.db2.gz WORWHWJWHQMVGU-PTNGSMBKSA-N 0 0 388.539 4.287 50 10 GICARN CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c(OC(C)=O)ccc2ccccc21 ZINC000005060178 817548171 /nfs/dbraw/zinc/54/81/71/817548171.db2.gz BSFGPTRUDGXWCX-DEOSSOPVSA-N 0 0 390.483 4.447 50 10 GICARN O=C(c1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CC[C@H](c2ccccc2)C1 ZINC000012376166 818156090 /nfs/dbraw/zinc/15/60/90/818156090.db2.gz CZDFHWFZSFNDOX-SFHVURJKSA-N 0 0 381.431 4.092 50 10 GICARN COc1ccc(N2CCN(Cc3csc(Cc4ccccc4)n3)CC2)cc1 ZINC000040105757 821138856 /nfs/dbraw/zinc/13/88/56/821138856.db2.gz CATPTJSWKULDHE-UHFFFAOYSA-N 0 0 379.529 4.065 50 10 GICARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000040119774 821142475 /nfs/dbraw/zinc/14/24/75/821142475.db2.gz CJLQFWCHUWWFGD-UHFFFAOYSA-N 0 0 396.922 4.067 50 10 GICARN CCN(CC)C(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 ZINC000017836257 210210905 /nfs/dbraw/zinc/21/09/05/210210905.db2.gz BSILNMPTAPLBIL-QNGOZBTKSA-N 0 0 390.487 4.196 50 10 GICARN Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000017172963 210206453 /nfs/dbraw/zinc/20/64/53/210206453.db2.gz YYWPDQIKZOKJAB-ZJNHSXOMSA-N 0 0 376.485 4.488 50 10 GICARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000015011580 210142469 /nfs/dbraw/zinc/14/24/69/210142469.db2.gz KITMBFVXUBXQIS-CXUHLZMHSA-N 0 0 391.901 4.416 50 10 GICARN COc1cccc(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)c1 ZINC000013688876 210079865 /nfs/dbraw/zinc/07/98/65/210079865.db2.gz PYELTXDFDOVWTE-LICLKQGHSA-N 0 0 379.466 4.044 50 10 GICARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Br)c1 ZINC000013562283 210069119 /nfs/dbraw/zinc/06/91/19/210069119.db2.gz NMWBYOMOZKPTKX-YBEGLDIGSA-N 0 0 392.293 4.168 50 10 GICARN CCc1cccc(C)c1NC(=S)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000013543397 210066744 /nfs/dbraw/zinc/06/67/44/210066744.db2.gz MVYVMRUQTOULGH-QGZVFWFLSA-N 0 0 383.561 4.379 50 10 GICARN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000013532516 210064328 /nfs/dbraw/zinc/06/43/28/210064328.db2.gz MMILPRHBEBRBJC-NVNXTCNLSA-N 0 0 377.874 4.460 50 10 GICARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1F ZINC000012416519 209952808 /nfs/dbraw/zinc/95/28/08/209952808.db2.gz NOOGINDOZXJFSG-LICLKQGHSA-N 0 0 389.473 4.244 50 10 GICARN COc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1OC ZINC000011536126 209875922 /nfs/dbraw/zinc/87/59/22/209875922.db2.gz CYPOWCIQWAGQTD-LQFYYXEQSA-N 0 0 391.452 4.008 50 10 GICARN COCCNc1cc(N2CCC[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006738021 209675725 /nfs/dbraw/zinc/67/57/25/209675725.db2.gz YOMFDZUXZNKNKU-CQSZACIVSA-N 0 0 391.471 4.334 50 10 GICARN Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1ccc(C)cc1 ZINC000006390859 209646512 /nfs/dbraw/zinc/64/65/12/209646512.db2.gz FDQVOZMOBNUCQI-UHFFFAOYSA-N 0 0 382.847 4.491 50 10 GICARN CCc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)S2)cc1 ZINC000005794732 209616376 /nfs/dbraw/zinc/61/63/76/209616376.db2.gz ZJEQYWGJESTIPV-LDADJPATSA-N 0 0 398.484 4.357 50 10 GICARN COCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000005049898 209562930 /nfs/dbraw/zinc/56/29/30/209562930.db2.gz PXTKMHJAOUDVLP-XNTDXEJSSA-N 0 0 379.890 4.448 50 10 GICARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccccc2)C1=O ZINC000004536640 209494136 /nfs/dbraw/zinc/49/41/36/209494136.db2.gz ZONHSYNIHVFIBC-PYEASBQRSA-N 0 0 394.521 4.473 50 10 GICARN COc1ccc(CN2C(=O)/C(=C/c3ccc4c(c3)C[C@H](C)O4)SC2=S)cc1 ZINC000002225197 209351703 /nfs/dbraw/zinc/35/17/03/209351703.db2.gz JQKQNEODIJTSSE-JFENUBAZSA-N 0 0 397.521 4.420 50 10 GICARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)cc4)S3)CC2)cc1 ZINC000001208470 209314598 /nfs/dbraw/zinc/31/45/98/209314598.db2.gz NCVMRNHZXFNWRB-RGEXLXHISA-N 0 0 397.931 4.441 50 10 GICARN COc1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000001154593 209307865 /nfs/dbraw/zinc/30/78/65/209307865.db2.gz YPONJYRBLZPRBX-UHFFFAOYSA-N 0 0 375.925 4.176 50 10 GICARN COC(=O)c1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1 ZINC000001161937 209308535 /nfs/dbraw/zinc/30/85/35/209308535.db2.gz KWRJUADOCVPXPF-VBKFSLOCSA-N 0 0 375.515 4.255 50 10 GICARN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000000997278 209287987 /nfs/dbraw/zinc/28/79/87/209287987.db2.gz UESDVULPXDTZTF-OQLLNIDSSA-N 0 0 391.901 4.416 50 10 GICARN Cc1cc(C)cc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 ZINC000001009697 209289171 /nfs/dbraw/zinc/28/91/71/209289171.db2.gz LGAAVKRUSMGWII-BOPFTXTBSA-N 0 0 382.510 4.143 50 10 GICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)C([N+](=O)[O-])[C@H]2c1ccccc1 ZINC000000975013 209284980 /nfs/dbraw/zinc/28/49/80/209284980.db2.gz KTUUHORZVGWSQT-NJYVYQBISA-N 0 0 399.402 4.005 50 10 GICARN O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000009419966 209279949 /nfs/dbraw/zinc/27/99/49/209279949.db2.gz BMAKBGHEGRCYTB-QGMBQPNBSA-N 0 0 395.461 4.140 50 10 GICARN CN(C)c1ccc(/C=C\C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 ZINC000096401835 209240376 /nfs/dbraw/zinc/24/03/76/209240376.db2.gz UMWYQXCARLXMSE-MLPAPPSSSA-N 0 0 383.455 4.114 50 10 GICARN COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)c2=O)cc1 ZINC000020411250 209234613 /nfs/dbraw/zinc/23/46/13/209234613.db2.gz KOPBLZZKBBVHNB-OAHLLOKOSA-N 0 0 379.456 4.406 50 10 GICARN CC1CC[NH+](Cc2c([O-])ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc32)CC1 ZINC000004247247 209231360 /nfs/dbraw/zinc/23/13/60/209231360.db2.gz UNPHUSNHPAVZAP-UHFFFAOYSA-N 0 0 389.455 4.274 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc21 ZINC000001237921 209226842 /nfs/dbraw/zinc/22/68/42/209226842.db2.gz PTBANNQSVDBNAL-UHFFFAOYSA-N 0 0 383.444 4.025 50 10 GICARN COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1 ZINC000054105901 209213139 /nfs/dbraw/zinc/21/31/39/209213139.db2.gz FEOYVMOLAFOWGD-UHFFFAOYSA-N 0 0 398.890 4.086 50 10 aggregator GICARN CCOc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1OC(F)F ZINC000096399825 211969547 /nfs/dbraw/zinc/96/95/47/211969547.db2.gz XEHBKJVMBYWBSN-RVDMUPIBSA-N 0 0 382.432 4.143 50 10 GICARN COc1ccc(/C=C2/C(=O)N=C3Sc4cc(C)c(C)cc4N3C2=N)cc1OC ZINC000005375076 211623003 /nfs/dbraw/zinc/62/30/03/211623003.db2.gz BPDIESJXKSVSJX-JJJRJNQISA-N 0 0 393.468 4.190 50 10 GICARN COc1cccc2c1O[C@@H](CCSC)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000103562922 211616915 /nfs/dbraw/zinc/61/69/15/211616915.db2.gz TUVHYQNAPBRYLD-XLIONFOSSA-N 0 0 384.501 4.332 50 10 GICARN Cc1ccc(C(=O)c2ccccc2)c(NC=Cc2nnnn2-c2ccccc2)c1 ZINC000100399883 211386967 /nfs/dbraw/zinc/38/69/67/211386967.db2.gz SNGNBZCZYKAOPH-CCEZHUSRSA-N 0 0 381.439 4.285 50 10 GICARN CCN1C(=O)/C(=C/C=C2/Sc3ccc(OC)cc3N2CC)SC1=S ZINC000100496799 211387030 /nfs/dbraw/zinc/38/70/30/211387030.db2.gz SLLOGAPHLGLKIJ-DJJIWSAGSA-N 0 0 378.544 4.233 50 10 GICARN CC(NCCc1ccccc1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000100095487 211382707 /nfs/dbraw/zinc/38/27/07/211382707.db2.gz LNLCFDTZSKYRSV-RGEXLXHISA-N 0 0 376.485 4.125 50 10 GICARN COc1ccc(N2N=C(C)C(=C(C)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000100135993 211381804 /nfs/dbraw/zinc/38/18/04/211381804.db2.gz BNDHTXLNEWDBRJ-JCMHNJIXSA-N 0 0 388.471 4.005 50 10 GICARN CCOc1cc(C=C2SC(NC3CCCC3)=NC2=O)ccc1OC(F)F ZINC000096288908 211331105 /nfs/dbraw/zinc/33/11/05/211331105.db2.gz VUCZTNDKPBNMTB-XNTDXEJSSA-N 0 0 382.432 4.189 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000041108115 210799716 /nfs/dbraw/zinc/79/97/16/210799716.db2.gz XHUHZEJKAMBENK-OTHHCBNDSA-N 0 0 391.500 4.350 50 10 GICARN COC(=O)c1ccc([C@H]2N=C(c3cccs3)C[C@H](c3ccccc3O)N2)cc1 ZINC000020763784 210361596 /nfs/dbraw/zinc/36/15/96/210361596.db2.gz WFBPUVKZXHRVHX-DYESRHJHSA-N 0 0 392.480 4.463 50 10 GICARN CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000019814705 210300333 /nfs/dbraw/zinc/30/03/33/210300333.db2.gz KKGFUXJMLVHHQR-QGOAFFKASA-N 0 0 389.480 4.122 50 10 GICARN O=C(NN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S)c1ccccc1 ZINC000019912895 210306421 /nfs/dbraw/zinc/30/64/21/210306421.db2.gz UDLPJUOAVQIWIS-NTEUORMPSA-N 0 0 392.864 4.025 50 10 GICARN COc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000004957402 220799657 /nfs/dbraw/zinc/79/96/57/220799657.db2.gz HIEOHFHCRFALQX-UHFFFAOYSA-N 0 0 387.892 4.480 50 10 GICARN Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1-c1ccc(Br)cc1 ZINC000008992203 221067771 /nfs/dbraw/zinc/06/77/71/221067771.db2.gz GERDJXGAJHGETK-UHFFFAOYSA-N 0 0 388.261 4.298 50 10 GICARN Cc1nc(NC(=O)[C@@H](C)N2CCCc3cc(OC(F)F)ccc32)sc1C ZINC000065597642 136164152 /nfs/dbraw/zinc/16/41/52/136164152.db2.gz IOGUWTONJMINBV-LLVKDONJSA-N 0 0 381.448 4.141 50 10 GICARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3O)C2)cc1 ZINC000004292052 570210109 /nfs/dbraw/zinc/21/01/09/570210109.db2.gz AXTQBBDRNAYVKG-GOSISDBHSA-N 0 0 378.453 4.454 50 10 GICARN CCCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O ZINC000004817566 570238264 /nfs/dbraw/zinc/23/82/64/570238264.db2.gz VVRFQSOMYLFRRY-NRFANRHFSA-N 0 0 394.471 4.353 50 10 GICARN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=N)N12 ZINC000004825849 570294323 /nfs/dbraw/zinc/29/43/23/570294323.db2.gz JGCJARQDFCZAIR-DDRPPYOZSA-N 0 0 382.470 4.276 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)Nc3cc(OC)ccc3OC)c2C)cc1 ZINC000022006547 570301561 /nfs/dbraw/zinc/30/15/61/570301561.db2.gz DRBMAWFXRKKQHI-UHFFFAOYSA-N 0 0 380.444 4.372 50 10 GICARN Cc1cccc(OCCCOc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000002863929 570312385 /nfs/dbraw/zinc/31/23/85/570312385.db2.gz GNDNAWNNIXBRGB-QGOAFFKASA-N 0 0 385.510 4.332 50 10 GICARN CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1 ZINC000004438208 570375376 /nfs/dbraw/zinc/37/53/76/570375376.db2.gz SSSCSDLBMOXPJP-SXGWCWSVSA-N 0 0 383.451 4.328 50 10 GICARN CCOc1cc(C=C2SC(NC3CCCC3)=NC2=O)ccc1OC(F)F ZINC000023987211 570376236 /nfs/dbraw/zinc/37/62/36/570376236.db2.gz VUCZTNDKPBNMTB-GDNBJRDFSA-N 0 0 382.432 4.189 50 10 GICARN CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)c1 ZINC000004482843 570377735 /nfs/dbraw/zinc/37/77/35/570377735.db2.gz VIFJPHUXQRKZPM-GZTJUZNOSA-N 0 0 399.493 4.278 50 10 GICARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(O)cc1 ZINC000004575371 570385600 /nfs/dbraw/zinc/38/56/00/570385600.db2.gz CIVCREUNSOUETL-HKWRFOASSA-N 0 0 378.497 4.317 50 10 GICARN C[C@@H]1CC(=O)N[C@]2(/C=C/c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C ZINC000004621063 570388428 /nfs/dbraw/zinc/38/84/28/570388428.db2.gz QDLUIPKHEOLEDQ-YMXWFHOSSA-N 0 0 375.516 4.168 50 10 GICARN CCCCCCNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 ZINC000004661754 570390607 /nfs/dbraw/zinc/39/06/07/570390607.db2.gz JUTYUAVUCKKILB-RELWKKBWSA-N 0 0 393.531 4.220 50 10 GICARN Cc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000024491191 570402563 /nfs/dbraw/zinc/40/25/63/570402563.db2.gz CQEGJRCSNPFBPK-UHFFFAOYSA-N 0 0 389.499 4.498 50 10 GICARN O=C1c2ccccc2S(=O)(=O)N1CNc1ccc(/N=N/c2ccccc2)cc1 ZINC000027024056 570495733 /nfs/dbraw/zinc/49/57/33/570495733.db2.gz FKRZRQZCUKAURW-GHVJWSGMSA-N 0 0 392.440 4.316 50 10 GICARN O=C1c2oc3c(ccc4c3CN(Cc3ccco3)CO4)c2C(=O)c2ccccc21 ZINC000054387969 570503339 /nfs/dbraw/zinc/50/33/39/570503339.db2.gz CBBBJYYGLPEDQY-UHFFFAOYSA-N 0 0 385.375 4.153 50 10 GICARN O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=S)N1c1ccccc1 ZINC000005201136 570504718 /nfs/dbraw/zinc/50/47/18/570504718.db2.gz IGIJFELDKBVYJO-VIZOYTHASA-N 0 0 375.858 4.475 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000002702081 570505701 /nfs/dbraw/zinc/50/57/01/570505701.db2.gz ZIDIQGKWOLAUAQ-BOPFTXTBSA-N 0 0 384.482 4.059 50 10 GICARN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccccn3)c2C)cc1 ZINC000005225932 570517611 /nfs/dbraw/zinc/51/76/11/570517611.db2.gz LBKJGWUWESXGPB-UHFFFAOYSA-N 0 0 380.469 4.251 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=N)S1 ZINC000005249596 570525390 /nfs/dbraw/zinc/52/53/90/570525390.db2.gz PPSBICZPFMSSQI-ZJNHSXOMSA-N 0 0 391.500 4.432 50 10 GICARN CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000006781022 570589115 /nfs/dbraw/zinc/58/91/15/570589115.db2.gz AEEOIOSJFZVOLW-UHFFFAOYSA-N 0 0 380.419 4.453 50 10 GICARN COc1cccc2c1O[C@@H](c1ccc(O)cc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000169681529 570601864 /nfs/dbraw/zinc/60/18/64/570601864.db2.gz AQBZPQHKMNOUDG-CVDCTZTESA-N 0 0 388.423 4.349 50 10 GICARN Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000005478057 570608185 /nfs/dbraw/zinc/60/81/85/570608185.db2.gz UCZUVEJSJMUVAX-YVLHZVERSA-N 0 0 393.493 4.023 50 10 GICARN Cc1ccc(N2NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1C ZINC000005518374 570622416 /nfs/dbraw/zinc/62/24/16/570622416.db2.gz QLAIJYSQJCYCOK-HZHRSRAPSA-N 0 0 398.462 4.344 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000012413435 570656681 /nfs/dbraw/zinc/65/66/81/570656681.db2.gz ZEHKJCAIHSMLMR-ZHZULCJRSA-N 0 0 377.440 4.271 50 10 GICARN CN(C)c1ccc(CNC(=O)CCc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000065061283 570669766 /nfs/dbraw/zinc/66/97/66/570669766.db2.gz PDJCVIVVBZUJEN-UHFFFAOYSA-N 0 0 398.510 4.316 50 10 GICARN COc1ccc(N2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)cc1 ZINC000012592924 570688004 /nfs/dbraw/zinc/68/80/04/570688004.db2.gz RALPBDOESFYIFI-UHFFFAOYSA-N 0 0 393.512 4.090 50 10 GICARN O=C1[C@@H](Nc2ccc(Br)cc2)SC(=S)N1c1ccccc1 ZINC000006896672 570694270 /nfs/dbraw/zinc/69/42/70/570694270.db2.gz RTBCBKQJJBXJLH-ZDUSSCGKSA-N 0 0 379.304 4.252 50 10 GICARN CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1 ZINC000004461887 570793606 /nfs/dbraw/zinc/79/36/06/570793606.db2.gz CILCXIBXMXFMLZ-VZUCSPMQSA-N 0 0 376.286 4.260 50 10 GICARN Cn1c(-c2ccccc2)cnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000007129644 570800201 /nfs/dbraw/zinc/80/02/01/570800201.db2.gz UUFQRWIYCSABAT-UHFFFAOYSA-N 0 0 383.429 4.154 50 10 GICARN Cn1c(-c2ccccc2)cnc1SCC(=O)NCCc1c[nH]c2ccccc12 ZINC000007211264 570816308 /nfs/dbraw/zinc/81/63/08/570816308.db2.gz UBQGYZMAIUINET-UHFFFAOYSA-N 0 0 390.512 4.019 50 10 GICARN Cc1cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)n1-c1ccccc1F ZINC000012533216 570834872 /nfs/dbraw/zinc/83/48/72/570834872.db2.gz KVWLOXMJFGDTAA-UHFFFAOYSA-N 0 0 383.379 4.107 50 10 GICARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNNc1cc(Cl)ccc1Cl ZINC000013634884 570899641 /nfs/dbraw/zinc/89/96/41/570899641.db2.gz MVJBZNNZUKNAEG-NTEUORMPSA-N 0 0 379.222 4.356 50 10 GICARN O=C1OC2(CCCCC2)OC(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000023127177 570912072 /nfs/dbraw/zinc/91/20/72/570912072.db2.gz IXZSBABXSPBVFH-UHFFFAOYSA-N 0 0 378.837 4.006 50 10 GICARN O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1O ZINC000001298815 570955996 /nfs/dbraw/zinc/95/59/96/570955996.db2.gz RAMDEYBXJWGGCT-GHRIWEEISA-N 0 0 398.509 4.012 50 10 GICARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCO2)CO3 ZINC000002122367 570956621 /nfs/dbraw/zinc/95/66/21/570956621.db2.gz MTEFDRZILNIDFR-UHFFFAOYSA-N 0 0 379.412 4.139 50 10 GICARN Oc1c(Br)cc(Br)cc1CNc1nc2ccccc2[nH]1 ZINC000001296283 817376405 /nfs/dbraw/zinc/37/64/05/817376405.db2.gz HJMQKKGEGHMNPT-UHFFFAOYSA-N 0 0 397.070 4.406 50 10 GICARN Cc1ccccc1Cn1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c2ccccc21 ZINC000004949576 817543346 /nfs/dbraw/zinc/54/33/46/817543346.db2.gz XSIXUFYZBKUGOC-FZOVEGBXSA-N 0 0 399.479 4.247 50 10 GICARN COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000012562610 818166747 /nfs/dbraw/zinc/16/67/47/818166747.db2.gz JAJCOIOOPHSXOE-SXGWCWSVSA-N 0 0 386.835 4.172 50 10 GICARN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000016292333 818416517 /nfs/dbraw/zinc/41/65/17/818416517.db2.gz BWDQBIMLHISWDJ-QNGOZBTKSA-N 0 0 375.472 4.078 50 10 GICARN O=C(Nc1cccc2c1CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000040150526 821150326 /nfs/dbraw/zinc/15/03/26/821150326.db2.gz RCMCJVXNABBVLI-IBGZPJMESA-N 0 0 380.488 4.484 50 10 GICARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000017083552 210204939 /nfs/dbraw/zinc/20/49/39/210204939.db2.gz HSCXIOBLWYERFL-GLEZIHRCSA-N 0 0 393.306 4.195 50 10 GICARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000016578753 210190291 /nfs/dbraw/zinc/19/02/91/210190291.db2.gz OZECMULLWGDFGP-UHFFFAOYSA-N 0 0 388.467 4.451 50 10 GICARN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)oc2c1[C@@H]1N=C(C)S[C@H]1CC2 ZINC000015730088 210165765 /nfs/dbraw/zinc/16/57/65/210165765.db2.gz GGCWEZFAGBPDDJ-PKOBYXMFSA-N 0 0 383.517 4.105 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1O ZINC000015011068 210143666 /nfs/dbraw/zinc/14/36/66/210143666.db2.gz YNGIUCUPKQURFJ-ZSOIEALJSA-N 0 0 395.889 4.439 50 10 GICARN COc1ccc(OC)c(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1 ZINC000013815131 210091560 /nfs/dbraw/zinc/09/15/60/210091560.db2.gz JNHJPTQKEAXSLB-JTKJEDPUSA-N 0 0 391.452 4.008 50 10 GICARN COc1cccc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)nc21 ZINC000013723126 210084556 /nfs/dbraw/zinc/08/45/56/210084556.db2.gz LRDKOWXCFVAGRH-MHWRWJLKSA-N 0 0 382.466 4.238 50 10 GICARN O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1CCc1ccccc1 ZINC000013689104 210080143 /nfs/dbraw/zinc/08/01/43/210080143.db2.gz QZTMODQFHJXKAL-LDADJPATSA-N 0 0 377.494 4.074 50 10 GICARN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000013517261 210064708 /nfs/dbraw/zinc/06/47/08/210064708.db2.gz XVABAFKISUEYAR-BOPFTXTBSA-N 0 0 399.493 4.054 50 10 GICARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1Cl ZINC000004745496 209521458 /nfs/dbraw/zinc/52/14/58/209521458.db2.gz RSXDQEYIVRUDSF-GXDHUFHOSA-N 0 0 392.889 4.163 50 10 GICARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2O)cc1 ZINC000003999726 209458615 /nfs/dbraw/zinc/45/86/15/209458615.db2.gz UPXMYVPGRWFYCY-NRFANRHFSA-N 0 0 376.412 4.181 50 10 biogenic,in-vitro GICARN COc1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3cc([N+](=O)[O-])cc(OC)c3O1)N2C ZINC000002478252 209366685 /nfs/dbraw/zinc/36/66/85/209366685.db2.gz REIRBIWLLFIURB-NRFANRHFSA-N 0 0 382.416 4.142 50 10 GICARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000002210277 209350517 /nfs/dbraw/zinc/35/05/17/209350517.db2.gz FJFDAHKKTFGAMT-UHFFFAOYSA-N 0 0 378.424 4.409 50 10 GICARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000001250543 209317589 /nfs/dbraw/zinc/31/75/89/209317589.db2.gz BAONDYKYAQFOKG-YVLHZVERSA-N 0 0 393.493 4.023 50 10 GICARN O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccccc1 ZINC000001471533 209330585 /nfs/dbraw/zinc/33/05/85/209330585.db2.gz HPYIPXLKJBIKTL-NBVRZTHBSA-N 0 0 383.904 4.133 50 10 GICARN CCOc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000001135994 209305241 /nfs/dbraw/zinc/30/52/41/209305241.db2.gz FULGIEHHZJDXIK-YVLHZVERSA-N 0 0 385.466 4.220 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1O ZINC000001022064 209288891 /nfs/dbraw/zinc/28/88/91/209288891.db2.gz PGXLJXZUDOJATE-AQTBWJFISA-N 0 0 385.510 4.235 50 10 GICARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c(F)cccc1Cl ZINC000000979488 209285323 /nfs/dbraw/zinc/28/53/23/209285323.db2.gz ZYGWBEZJERVNLP-LGMDPLHJSA-N 0 0 399.849 4.394 50 10 GICARN COC(=O)c1ccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc32)cc1 ZINC000000950422 209282371 /nfs/dbraw/zinc/28/23/71/209282371.db2.gz WXULETIITIAMME-UHFFFAOYSA-N 0 0 390.391 4.320 50 10 GICARN O=C(OCc1ccccc1)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000000950305 209282260 /nfs/dbraw/zinc/28/22/60/209282260.db2.gz SPYQCJUKMVLDOW-UHFFFAOYSA-N 0 0 381.387 4.072 50 10 GICARN Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000000660960 209256670 /nfs/dbraw/zinc/25/66/70/209256670.db2.gz GOSRRBYYHQBNJW-KGENOOAVSA-N 0 0 393.462 4.217 50 10 GICARN COc1ccccc1-c1coc2c(ccc([O-])c2C[N@@H+]2CCC[C@H](C)C2)c1=O ZINC000019682097 209235517 /nfs/dbraw/zinc/23/55/17/209235517.db2.gz BJQXCHURLJCSBA-HNNXBMFYSA-N 0 0 379.456 4.406 50 10 GICARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000005825905 211571011 /nfs/dbraw/zinc/57/10/11/211571011.db2.gz SSQYSHIZUOGRGU-OVCLIPMQSA-N 0 0 392.238 4.459 50 10 GICARN CCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000100680934 211388932 /nfs/dbraw/zinc/38/89/32/211388932.db2.gz SUXDDDFTKQAJDT-NBVRZTHBSA-N 0 0 376.485 4.321 50 10 GICARN O=C1/C(=C/c2cccs2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000100478098 211386234 /nfs/dbraw/zinc/38/62/34/211386234.db2.gz HQQFAHJRYQPCSO-QGOAFFKASA-N 0 0 375.409 4.491 50 10 GICARN COc1cc(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)cc1Cl ZINC000100423103 211385494 /nfs/dbraw/zinc/38/54/94/211385494.db2.gz MIGNMSDVBHTYBW-UNOMPAQXSA-N 0 0 385.851 4.466 50 10 GICARN O=C(c1ccncc1)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccccc1O ZINC000095946312 211285506 /nfs/dbraw/zinc/28/55/06/211285506.db2.gz DBRQBETZLHSYDL-IBGZPJMESA-N 0 0 377.831 4.432 50 10 GICARN CCOc1cccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 ZINC000089269914 211179044 /nfs/dbraw/zinc/17/90/44/211179044.db2.gz UPVSDLPJIJRRTR-LJQANCHMSA-N 0 0 376.412 4.375 50 10 GICARN COc1ccc(NC2=NC(=O)C(=Cc3ccc(N(C)C)cc3)S2)cc1Cl ZINC000044790797 210811965 /nfs/dbraw/zinc/81/19/65/210811965.db2.gz IKEGFPONAPJKCN-LICLKQGHSA-N 0 0 387.892 4.497 50 10 GICARN Cc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)s1 ZINC000069577287 210677932 /nfs/dbraw/zinc/67/79/32/210677932.db2.gz NFWQOUBALLANOI-DRUFCSCSSA-N 0 0 384.545 4.344 50 10 GICARN CCCn1ccnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000022715308 210422480 /nfs/dbraw/zinc/42/24/80/210422480.db2.gz JODCEWZUYWMHKB-UHFFFAOYSA-N 0 0 397.500 4.404 50 10 GICARN CC[C@@H]1CCCCN1/C=C1/SC(=S)N(c2cc(OC)ccc2OC)C1=O ZINC000020581318 210347289 /nfs/dbraw/zinc/34/72/89/210347289.db2.gz KFBLXWSYPZRTTN-LVLBFHFTSA-N 0 0 392.546 4.174 50 10 GICARN O=C1c2ccccc2-c2onc3c2c1c(NCCO)cc3NCc1ccccc1 ZINC000020322340 210327376 /nfs/dbraw/zinc/32/73/76/210327376.db2.gz MZEPAUYVKXUFNY-UHFFFAOYSA-N 0 0 385.423 4.056 50 10 GICARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=N)N2O1 ZINC000020236302 210323723 /nfs/dbraw/zinc/32/37/23/210323723.db2.gz VXVIKIQYYBASQJ-IKTSRZDXSA-N 0 0 393.830 4.369 50 10 GICARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)cc1O ZINC000020070651 210314324 /nfs/dbraw/zinc/31/43/24/210314324.db2.gz XUXHVKOEKKQXNG-JPYJTQIMSA-N 0 0 388.423 4.349 50 10 GICARN C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000072437773 136170663 /nfs/dbraw/zinc/17/06/63/136170663.db2.gz LZUCEQNHTHPPPC-IBGZPJMESA-N 0 0 393.531 4.005 50 10 GICARN O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCN(c3ccccc3)C[C@@H]12 ZINC000006576789 136196902 /nfs/dbraw/zinc/19/69/02/136196902.db2.gz YIGDWECLHXUZDQ-HSZRJFAPSA-N 0 0 394.474 4.004 50 10 aggregator GICARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCCCC2 ZINC000008186093 523265784 /nfs/dbraw/zinc/26/57/84/523265784.db2.gz HSTXGZFFTFLMSV-UHFFFAOYSA-N 0 0 384.545 4.126 50 10 GICARN CN1CCCc2cc(CNC(=O)CSc3nc4ccccc4s3)ccc21 ZINC000095390002 536396132 /nfs/dbraw/zinc/39/61/32/536396132.db2.gz MERDFIHWSVGONM-UHFFFAOYSA-N 0 0 383.542 4.087 50 10 GICARN COc1ccc(N2CCN(C(=O)c3csc(-c4ccc(C)s4)n3)CC2)cc1 ZINC000064676508 536691818 /nfs/dbraw/zinc/69/18/18/536691818.db2.gz CZKHSPYZOBIQHC-UHFFFAOYSA-N 0 0 399.541 4.151 50 10 GICARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc21 ZINC000000639277 570213281 /nfs/dbraw/zinc/21/32/81/570213281.db2.gz NADSLLVKHOWBLG-AWEZNQCLSA-N 0 0 389.455 4.416 50 10 GICARN CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cccs3)C2=O)cc1 ZINC000004818792 570242926 /nfs/dbraw/zinc/24/29/26/570242926.db2.gz TXJGCNFEUFROKU-UVTDQMKNSA-N 0 0 394.374 4.273 50 10 GICARN Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1C ZINC000006131706 570276153 /nfs/dbraw/zinc/27/61/53/570276153.db2.gz YOSUAQVSLZEJHA-OQLLNIDSSA-N 0 0 388.539 4.205 50 10 GICARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(Cl)cc4)S3)CC2)cc1 ZINC000004863295 570350484 /nfs/dbraw/zinc/35/04/84/570350484.db2.gz NCVMRNHZXFNWRB-XMHGGMMESA-N 0 0 397.931 4.441 50 10 GICARN Cc1nn(C)c(C)c1CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000010888404 570350852 /nfs/dbraw/zinc/35/08/52/570350852.db2.gz JCUPDVMJYCWAHY-RUZDIDTESA-N 0 0 399.494 4.344 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1 ZINC000004578425 570386019 /nfs/dbraw/zinc/38/60/19/570386019.db2.gz XOPARXSWOVWANR-OQLLNIDSSA-N 0 0 377.874 4.460 50 10 GICARN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)NC1=S ZINC000004845883 570411650 /nfs/dbraw/zinc/41/16/50/570411650.db2.gz MFJQHGAYLYHSGM-PXNMLYILSA-N 0 0 394.327 4.478 50 10 GICARN Cc1scnc1C(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O ZINC000006527598 570466105 /nfs/dbraw/zinc/46/61/05/570466105.db2.gz GCPGEMZXQFXZRO-KRWDZBQOSA-N 0 0 381.432 4.288 50 10 GICARN N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000005164875 570474226 /nfs/dbraw/zinc/47/42/26/570474226.db2.gz QUPDLUIRGZWNDE-OSIMKLFKSA-N 0 0 398.850 4.341 50 10 GICARN COc1ccc(C[C@H]2CC=CC[C@@H](Cc3ccc(OC)cc3)C(=O)C2=O)cc1 ZINC000006457719 570480828 /nfs/dbraw/zinc/48/08/28/570480828.db2.gz LUXBRJJBQYITGY-BGYRXZFFSA-N 0 0 378.468 4.210 50 10 GICARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000005046890 570541189 /nfs/dbraw/zinc/54/11/89/570541189.db2.gz PPMWCCMDBSXZCG-FHSNZYRGSA-N 0 0 395.311 4.467 50 10 GICARN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 ZINC000009111637 570549837 /nfs/dbraw/zinc/54/98/37/570549837.db2.gz RXKHXLJPDCVYLK-VXLYETTFSA-N 0 0 392.846 4.240 50 10 GICARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccc4c(c3)OCO4)cc1)CCCC2 ZINC000006877864 570669318 /nfs/dbraw/zinc/66/93/18/570669318.db2.gz OQXCDDGURGVONE-UHFFFAOYSA-N 0 0 388.467 4.323 50 10 GICARN COCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032593968 570679550 /nfs/dbraw/zinc/67/95/50/570679550.db2.gz RIYFXHQPRHMFSU-LFIBNONCSA-N 0 0 377.462 4.323 50 10 GICARN O=C1[C@H](Nc2ccc(Br)cc2)SC(=S)N1c1ccccc1 ZINC000006896671 570694198 /nfs/dbraw/zinc/69/41/98/570694198.db2.gz RTBCBKQJJBXJLH-CYBMUJFWSA-N 0 0 379.304 4.252 50 10 GICARN Cc1c(Br)c(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000000939783 570731366 /nfs/dbraw/zinc/73/13/66/570731366.db2.gz ZKFXPAFCOFXCBK-UHFFFAOYSA-N 0 0 384.295 4.387 50 10 GICARN CN(C)c1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)cc1 ZINC000032722608 570768705 /nfs/dbraw/zinc/76/87/05/570768705.db2.gz FGOWHEVPACNGKY-UHFFFAOYSA-N 0 0 381.701 4.441 50 10 GICARN CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)cc1 ZINC000097999114 570775379 /nfs/dbraw/zinc/77/53/79/570775379.db2.gz HZYRAOIKLLGPSR-PDGQHHTCSA-N 0 0 383.494 4.426 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C/c1ccccc1 ZINC000005824262 570794789 /nfs/dbraw/zinc/79/47/89/570794789.db2.gz VVJJYKBLJUHEAJ-LFIBNONCSA-N 0 0 383.831 4.226 50 10 GICARN CCc1cccc2c(/C=C3/C(=O)Nc4ccccc43)cn(CC(=O)N3CCCC3)c21 ZINC000004704934 570854063 /nfs/dbraw/zinc/85/40/63/570854063.db2.gz USVDNDLRNJBRDZ-KGENOOAVSA-N 0 0 399.494 4.319 50 10 GICARN Cc1cc(C(=O)COC(=O)c2cccc(C)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003442950 570869399 /nfs/dbraw/zinc/86/93/99/570869399.db2.gz QKZFBWMBGZLHLX-UHFFFAOYSA-N 0 0 391.423 4.171 50 10 GICARN Cc1ccnn1-c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000012590805 570883709 /nfs/dbraw/zinc/88/37/09/570883709.db2.gz WZQNFGCVVHLMLF-UHFFFAOYSA-N 0 0 388.515 4.443 50 10 GICARN Cc1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 ZINC000004576260 570904740 /nfs/dbraw/zinc/90/47/40/570904740.db2.gz JXOKDJZNWSVWHT-QGOAFFKASA-N 0 0 385.510 4.284 50 10 GICARN O=C(Nc1cccc2cnccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000047325358 570952997 /nfs/dbraw/zinc/95/29/97/570952997.db2.gz XOPXUTMKELPGCV-SFHVURJKSA-N 0 0 377.444 4.154 50 10 GICARN CCCCCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004746556 570958223 /nfs/dbraw/zinc/95/82/23/570958223.db2.gz BHOADGRKZUWKFL-WYMLVPIESA-N 0 0 383.560 4.463 50 10 GICARN Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)c(C)c1 ZINC000004745481 570960443 /nfs/dbraw/zinc/96/04/43/570960443.db2.gz WSBTXRLPOISELP-LFIBNONCSA-N 0 0 386.498 4.126 50 10 GICARN Cc1cccc([C@@H]2CC(c3ccccc3O)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000252491701 570973892 /nfs/dbraw/zinc/97/38/92/570973892.db2.gz LRDQDCUHFQTAJN-NRFANRHFSA-N 0 0 392.480 4.241 50 10 GICARN Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1-c1ccc(F)cc1 ZINC000045501046 570991864 /nfs/dbraw/zinc/99/18/64/570991864.db2.gz HFESUNMMBIFKTQ-CQSZACIVSA-N 0 0 393.418 4.205 50 10 GICARN COc1ccc(CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1OC ZINC000001191588 817375211 /nfs/dbraw/zinc/37/52/11/817375211.db2.gz MHWLAZWOXRJLAF-WJDWOHSUSA-N 0 0 391.539 4.209 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(NC(=O)/C=C/c3ccco3)cc2)SC1=S ZINC000003171890 817419769 /nfs/dbraw/zinc/41/97/69/817419769.db2.gz ZNJPYQOESWJLOE-KDNHCMJDSA-N 0 0 384.482 4.153 50 10 GICARN CN1C(=O)C(=Cc2c3ccccc3c3cc4ccccc4oc2-3)C(=O)N(C)C1=O ZINC000003281038 817431507 /nfs/dbraw/zinc/43/15/07/817431507.db2.gz NRUURJICKKWUDJ-UHFFFAOYSA-N 0 0 384.391 4.125 50 10 GICARN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000004172094 817508175 /nfs/dbraw/zinc/50/81/75/817508175.db2.gz SYIBZGJJUGLAAE-SIFCLUCFSA-N 0 0 382.416 4.447 50 10 GICARN Cc1ccccc1N1C(=O)/C(=C\c2ccco2)C(=O)N(c2ccccc2)C1=S ZINC000004991013 817545374 /nfs/dbraw/zinc/54/53/74/817545374.db2.gz YJZCWHKCABUGLM-JXAWBTAJSA-N 0 0 388.448 4.336 50 10 GICARN O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccccc1 ZINC000007884138 817950474 /nfs/dbraw/zinc/95/04/74/817950474.db2.gz CBFCZBDQAWCPNH-XMMPIXPASA-N 0 0 399.494 4.290 50 10 GICARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2O)cc1 ZINC000007884036 817950526 /nfs/dbraw/zinc/95/05/26/817950526.db2.gz HBBWRAQAZSJRTF-NRFANRHFSA-N 0 0 376.412 4.268 50 10 GICARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000008132761 818005284 /nfs/dbraw/zinc/00/52/84/818005284.db2.gz BJTNSMLRZIUJCW-UHFFFAOYSA-N 0 0 393.462 4.322 50 10 GICARN O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc(Br)cc1 ZINC000013284519 818209077 /nfs/dbraw/zinc/20/90/77/818209077.db2.gz NQGCQCQXWVMXCB-LCYFTJDESA-N 0 0 377.288 4.250 50 10 GICARN CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1 ZINC000015228594 818300722 /nfs/dbraw/zinc/30/07/22/818300722.db2.gz SSSCSDLBMOXPJP-CXUHLZMHSA-N 0 0 383.451 4.328 50 10 GICARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4c[nH]c5ccccc45)C3=N)S2)cc1 ZINC000018322632 210219249 /nfs/dbraw/zinc/21/92/49/210219249.db2.gz VHFOIDIUHRVESC-WZBMNHFVSA-N 0 0 385.452 4.144 50 10 GICARN O=C(CSc1nc2cc(Cl)c3cccnc3c2o1)c1ccc(O)c(O)c1 ZINC000015109193 210154009 /nfs/dbraw/zinc/15/40/09/210154009.db2.gz GSWVBJOPBFJOAQ-UHFFFAOYSA-N 0 0 386.816 4.416 50 10 GICARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1Cc1ccco1 ZINC000015015233 210144038 /nfs/dbraw/zinc/14/40/38/210144038.db2.gz XMPYZZHCRSHSDR-JYRVWZFOSA-N 0 0 380.288 4.444 50 10 GICARN COc1ccccc1CNC(C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000013626537 210073207 /nfs/dbraw/zinc/07/32/07/210073207.db2.gz XZCXPLFRXBZNDL-CPNJWEJPSA-N 0 0 392.484 4.091 50 10 GICARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000012625247 209988519 /nfs/dbraw/zinc/98/85/19/209988519.db2.gz UOLABPWWTVGMJX-WJDWOHSUSA-N 0 0 387.482 4.118 50 10 GICARN Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1ccccc1 ZINC000006831162 209695323 /nfs/dbraw/zinc/69/53/23/209695323.db2.gz GJVSHUAPPLQUJA-UHFFFAOYSA-N 0 0 380.517 4.387 50 10 GICARN O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000006397865 209648140 /nfs/dbraw/zinc/64/81/40/209648140.db2.gz UEXKZCLCHCFPMD-CIAFOILYSA-N 0 0 392.499 4.036 50 10 GICARN CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S ZINC000004499181 209490986 /nfs/dbraw/zinc/49/09/86/209490986.db2.gz AUJZLZCPMUGCDL-NTUHNPAUSA-N 0 0 380.834 4.339 50 10 GICARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000004406961 209484592 /nfs/dbraw/zinc/48/45/92/209484592.db2.gz IZMCYDWWNYKVDY-UHFFFAOYSA-N 0 0 389.864 4.124 50 10 GICARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)cc1 ZINC000004263484 209475064 /nfs/dbraw/zinc/47/50/64/209475064.db2.gz SRIWDNBKCXJVNO-GXDHUFHOSA-N 0 0 392.889 4.163 50 10 GICARN Cc1cc(C(=O)COC(=O)c2ccccc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003487277 209440607 /nfs/dbraw/zinc/44/06/07/209440607.db2.gz WICNGCIQQWEYHG-UHFFFAOYSA-N 0 0 391.423 4.171 50 10 GICARN CCCN1c2ccccc2/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)C1=O ZINC000002672855 209376654 /nfs/dbraw/zinc/37/66/54/209376654.db2.gz LSPWWMCSLIMHMK-ZCXUNETKSA-N 0 0 394.521 4.215 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2)cc1 ZINC000002281117 209354617 /nfs/dbraw/zinc/35/46/17/209354617.db2.gz YDHJROFWFHVQKV-DEDYPNTBSA-N 0 0 398.418 4.258 50 10 GICARN COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000002154505 209348172 /nfs/dbraw/zinc/34/81/72/209348172.db2.gz KHHJEQHMCNCFIK-OAHLLOKOSA-N 0 0 379.456 4.406 50 10 GICARN O=C(C(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000001954380 209343022 /nfs/dbraw/zinc/34/30/22/209343022.db2.gz DLPFGVLPQAYECF-UHFFFAOYSA-N 0 0 392.323 4.361 50 10 GICARN CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215892 209321653 /nfs/dbraw/zinc/32/16/53/209321653.db2.gz PQCBAEKHVSITLM-XXBNENTESA-N 0 0 387.439 4.428 50 10 GICARN CCN(CC)c1ccc(C(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000001443835 209328490 /nfs/dbraw/zinc/32/84/90/209328490.db2.gz UFOPGNDYDWHMGV-UHFFFAOYSA-N 0 0 383.561 4.039 50 10 GICARN CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)cc2)SC1=S ZINC000001165183 209309057 /nfs/dbraw/zinc/30/90/57/209309057.db2.gz HPYNKQQKGIJVFW-IEMQHYRPSA-N 0 0 387.482 4.499 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 ZINC000001090125 209299542 /nfs/dbraw/zinc/29/95/42/209299542.db2.gz PKHTXOVJPFWMDN-BOPFTXTBSA-N 0 0 387.482 4.118 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001100775 209299181 /nfs/dbraw/zinc/29/91/81/209299181.db2.gz CYBYWFHVVUODBV-UHFFFAOYSA-N 0 0 378.384 4.042 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000001095890 209300170 /nfs/dbraw/zinc/30/01/70/209300170.db2.gz GAXIHNQNTFGQFH-MHWRWJLKSA-N 0 0 386.454 4.005 50 10 GICARN COC(=O)c1ccccc1NCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000001023618 209289851 /nfs/dbraw/zinc/28/98/51/209289851.db2.gz HZWMMZFRUYPCRQ-BOPFTXTBSA-N 0 0 398.509 4.052 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1F ZINC000000885192 209276439 /nfs/dbraw/zinc/27/64/39/209276439.db2.gz BJVSXYHQEFCWTP-RGEXLXHISA-N 0 0 395.430 4.492 50 10 GICARN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 ZINC000000882772 209276040 /nfs/dbraw/zinc/27/60/40/209276040.db2.gz GYQNAWQXJLQUAF-UHFFFAOYSA-N 0 0 392.440 4.431 50 10 aggregator GICARN CCN1C(=O)/C(=C/c2ccc(C)s2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000000660853 209257126 /nfs/dbraw/zinc/25/71/26/209257126.db2.gz BCFFXBFWIRKSEP-GDNBJRDFSA-N 0 0 390.917 4.274 50 10 GICARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000000653841 209255020 /nfs/dbraw/zinc/25/50/20/209255020.db2.gz UZFMHXVYENOKQO-ZSOIEALJSA-N 0 0 392.238 4.459 50 10 GICARN COc1ccccc1-c1coc2c(ccc([O-])c2C[N@@H+]2CCC[C@@H](C)C2)c1=O ZINC000019682094 209235096 /nfs/dbraw/zinc/23/50/96/209235096.db2.gz BJQXCHURLJCSBA-OAHLLOKOSA-N 0 0 379.456 4.406 50 10 GICARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[NH+](C)C)c1[O-] ZINC000000848451 209227137 /nfs/dbraw/zinc/22/71/37/209227137.db2.gz YJHWRYXCENIEEY-UHFFFAOYSA-N 0 0 380.469 4.399 50 10 GICARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C([N+](=O)[O-])[C@@H]2c1ccccc1 ZINC000000677181 209181969 /nfs/dbraw/zinc/18/19/69/209181969.db2.gz KTUUHORZVGWSQT-PCCBWWKXSA-N 0 0 399.402 4.005 50 10 GICARN Cc1cc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c(C)n1-c1ccccc1 ZINC000024743515 211796048 /nfs/dbraw/zinc/79/60/48/211796048.db2.gz UENDASSGGZMJNI-UHFFFAOYSA-N 0 0 389.499 4.422 50 10 GICARN CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)cc1 ZINC000100823354 211393132 /nfs/dbraw/zinc/39/31/32/211393132.db2.gz MIQFSSRDWKQRJJ-SFHVURJKSA-N 0 0 396.292 4.163 50 10 GICARN Cc1cc(Cl)cc(CN2CCc3c(ncn3CCc3ccccc3)C2)c1O ZINC000096003716 211292644 /nfs/dbraw/zinc/29/26/44/211292644.db2.gz PSRWOPUGQLNUOK-UHFFFAOYSA-N 0 0 381.907 4.352 50 10 GICARN O=S(=O)(Nc1ccc(O)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095950213 211285934 /nfs/dbraw/zinc/28/59/34/211285934.db2.gz UZWAZKUCPCNWLE-UHFFFAOYSA-N 0 0 385.285 4.231 50 10 GICARN Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)c(C)n1-c1cccc(F)c1 ZINC000058363222 210918595 /nfs/dbraw/zinc/91/85/95/210918595.db2.gz KXILKYJKLNIKOO-UHFFFAOYSA-N 0 0 383.448 4.006 50 10 GICARN O=C(CCNc1ncccn1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048360807 210854303 /nfs/dbraw/zinc/85/43/03/210854303.db2.gz ZFDSNTXAKGYORK-QHCPKHFHSA-N 0 0 398.466 4.043 50 10 GICARN O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1C[C@H]1CCCO1 ZINC000032593914 210578614 /nfs/dbraw/zinc/57/86/14/210578614.db2.gz YZBPWSDFCIZKGR-ZXMBATIKSA-N 0 0 389.473 4.466 50 10 GICARN O=C1/C(=C\c2ccco2)C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1 ZINC000006192949 136196867 /nfs/dbraw/zinc/19/68/67/136196867.db2.gz ZXLRHHAEQBVAQO-XMHGGMMESA-N 0 0 388.448 4.024 50 10 GICARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc3c(c2)OCO3)CO1 ZINC000002124806 535079622 /nfs/dbraw/zinc/07/96/22/535079622.db2.gz YRYREFBTPLLBIK-UHFFFAOYSA-N 0 0 379.412 4.221 50 10 GICARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(OC)c(OC)c2)CO1 ZINC000002160534 535776746 /nfs/dbraw/zinc/77/67/46/535776746.db2.gz LQPISLIFGOSNOS-UHFFFAOYSA-N 0 0 381.428 4.119 50 10 GICARN COC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc21)c1ccccc1 ZINC000001129669 570245037 /nfs/dbraw/zinc/24/50/37/570245037.db2.gz KWINLTGQDHGDQH-NRFANRHFSA-N 0 0 390.391 4.248 50 10 GICARN CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1 ZINC000001269737 570260165 /nfs/dbraw/zinc/26/01/65/570260165.db2.gz AVLBVROSKDFCEM-UHFFFAOYSA-N 0 0 389.864 4.005 50 10 GICARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C([N+](=O)[O-])[C@H]2c1ccccc1 ZINC000103116927 570294379 /nfs/dbraw/zinc/29/43/79/570294379.db2.gz KTUUHORZVGWSQT-QHAWAJNXSA-N 0 0 399.402 4.005 50 10 GICARN O=S(=O)(Nc1cc(Br)c(O)c2ccccc12)c1ccc(F)cc1 ZINC000002955062 570319872 /nfs/dbraw/zinc/31/98/72/570319872.db2.gz CAMNZAZSAHUYIQ-UHFFFAOYSA-N 0 0 396.237 4.248 50 10 GICARN COc1cccc(C(=O)COc2ccc3c(c2)oc(=O)c2cc(OC)ccc32)c1 ZINC000002993483 570324311 /nfs/dbraw/zinc/32/43/11/570324311.db2.gz HWFYJJPEBRXWCT-UHFFFAOYSA-N 0 0 390.391 4.225 50 10 GICARN N=C1/C(=C/c2cccs2)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000004865629 570351302 /nfs/dbraw/zinc/35/13/02/570351302.db2.gz ZCWNYUPTZRTNSX-KXXGJRMMSA-N 0 0 384.511 4.258 50 10 GICARN Nc1nn2c([nH]c(=O)cc2C(F)(F)F)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000003849080 570352131 /nfs/dbraw/zinc/35/21/31/570352131.db2.gz YNFVQZXCWZORBV-WCWDXBQESA-N 0 0 390.247 4.470 50 10 GICARN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)cc1 ZINC000003879088 570352939 /nfs/dbraw/zinc/35/29/39/570352939.db2.gz XDVZBBHKOJWUPB-PAXLWEDBSA-N 0 0 399.535 4.283 50 10 GICARN CSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)C(=N)N12 ZINC000004909232 570362008 /nfs/dbraw/zinc/36/20/08/570362008.db2.gz WIVXINHKJIVXHR-MKGVMWAWSA-N 0 0 395.513 4.034 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(C)s2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000004472193 570376240 /nfs/dbraw/zinc/37/62/40/570376240.db2.gz BCFFXBFWIRKSEP-XNTDXEJSSA-N 0 0 390.917 4.274 50 10 GICARN COC(=O)c1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1 ZINC000005009304 570395082 /nfs/dbraw/zinc/39/50/82/570395082.db2.gz ZCDVXXQDNJBRLV-HXUWFJFHSA-N 0 0 385.423 4.324 50 10 GICARN COC(=O)c1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1 ZINC000005009303 570395086 /nfs/dbraw/zinc/39/50/86/570395086.db2.gz ZCDVXXQDNJBRLV-FQEVSTJZSA-N 0 0 385.423 4.324 50 10 GICARN CCn1c(C)c(/C=C/c2nc3ccccc3c(=O)n2CCCO)c2ccccc21 ZINC000004748639 570402468 /nfs/dbraw/zinc/40/24/68/570402468.db2.gz KFDCNKXMNKHJBX-BUHFOSPRSA-N 0 0 387.483 4.232 50 10 GICARN CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)N2CCc3ccccc32)cc1 ZINC000005098667 570415808 /nfs/dbraw/zinc/41/58/08/570415808.db2.gz WOJMRPDHWHXTQK-OAQYLSRUSA-N 0 0 391.540 4.348 50 10 GICARN CCCCOC(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000004982557 570421239 /nfs/dbraw/zinc/42/12/39/570421239.db2.gz VKLNPGXPYLSLBH-HMMYKYKNSA-N 0 0 377.444 4.362 50 10 GICARN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000005172489 570492133 /nfs/dbraw/zinc/49/21/33/570492133.db2.gz WXVZGVACPGNSSF-YBEGLDIGSA-N 0 0 386.454 4.005 50 10 GICARN Nc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034633556 570542592 /nfs/dbraw/zinc/54/25/92/570542592.db2.gz WZRFRMWIFXULOV-UHFFFAOYSA-N 0 0 379.454 4.459 50 10 GICARN CSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3c(C)cccc3C)C(=N)N12 ZINC000032964367 570548697 /nfs/dbraw/zinc/54/86/97/570548697.db2.gz RKHQSFYLWOBXRS-MKGVMWAWSA-N 0 0 395.513 4.034 50 10 GICARN CCCCNc1cc(N2CCN(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737893 570562165 /nfs/dbraw/zinc/56/21/65/570562165.db2.gz QKXQKZWOANKNOL-UHFFFAOYSA-N 0 0 390.487 4.003 50 10 GICARN COc1ccc(Cl)cc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005360946 570563760 /nfs/dbraw/zinc/56/37/60/570563760.db2.gz HYTXLPWYJRITSB-UHFFFAOYSA-N 0 0 391.810 4.376 50 10 GICARN CCc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 ZINC000005373182 570568770 /nfs/dbraw/zinc/56/87/70/570568770.db2.gz CSTFFACJSCSUKJ-SILNSSARSA-N 0 0 377.513 4.042 50 10 GICARN CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OC)cc1OC)CO3 ZINC000006785150 570592149 /nfs/dbraw/zinc/59/21/49/570592149.db2.gz AUDLYOAPUZZEGQ-UHFFFAOYSA-N 0 0 381.428 4.038 50 10 GICARN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O ZINC000005529215 570625455 /nfs/dbraw/zinc/62/54/55/570625455.db2.gz UCIFBTCHBLWIKE-AHEVQNHNSA-N 0 0 383.311 4.350 50 10 GICARN Cc1ccc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1C ZINC000004602371 570657450 /nfs/dbraw/zinc/65/74/50/570657450.db2.gz MDDARPUAORJHCN-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000012651381 570695485 /nfs/dbraw/zinc/69/54/85/570695485.db2.gz AKJUTQLOPPOIDW-UHFFFAOYSA-N 0 0 381.259 4.091 50 10 GICARN CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S ZINC000032701750 570749854 /nfs/dbraw/zinc/74/98/54/570749854.db2.gz BLVXRTLKKCLMIO-DTQAZKPQSA-N 0 0 377.531 4.320 50 10 GICARN Cc1nn2c(ncc(C(=O)NCc3ccc(N(C)C)cc3)c2C)c1-c1ccccc1 ZINC000021914910 570758779 /nfs/dbraw/zinc/75/87/79/570758779.db2.gz FJKNACYHUQKZGS-UHFFFAOYSA-N 0 0 399.498 4.009 50 10 GICARN CCCCN(CCCC)c1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 ZINC000096602593 570774665 /nfs/dbraw/zinc/77/46/65/570774665.db2.gz FUONDGYABIKGOM-HXUWFJFHSA-N 0 0 387.524 4.236 50 10 GICARN CC(C)n1cc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)sc2c1 ZINC000065285523 570781090 /nfs/dbraw/zinc/78/10/90/570781090.db2.gz HNKJGFCULCTVEK-UHFFFAOYSA-N 0 0 383.517 4.050 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)ccc1O ZINC000005673261 570798697 /nfs/dbraw/zinc/79/86/97/570798697.db2.gz NGOCTUOUHQSUCP-YVLHZVERSA-N 0 0 389.473 4.331 50 10 GICARN CC(=O)N1CCCc2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)ccc21 ZINC000158984589 570812608 /nfs/dbraw/zinc/81/26/08/570812608.db2.gz XZHITPYFTDOMCA-UHFFFAOYSA-N 0 0 388.471 4.041 50 10 GICARN Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc2c(c1)OCCCO2 ZINC000007210787 570816298 /nfs/dbraw/zinc/81/62/98/570816298.db2.gz YTHGVJSZVBEBNZ-UHFFFAOYSA-N 0 0 380.469 4.223 50 10 GICARN CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000003279957 570848476 /nfs/dbraw/zinc/84/84/76/570848476.db2.gz PCPMUHDBWKWHAX-UHFFFAOYSA-N 0 0 390.439 4.092 50 10 GICARN COc1ccc2ncc(/C=C/[C@]34NC(=O)CCN3c3ccccc3C4(C)C)cc2c1 ZINC000002110621 570950375 /nfs/dbraw/zinc/95/03/75/570950375.db2.gz CVLQDQPZKJLXDX-DWOOMVRVSA-N 0 0 399.494 4.271 50 10 GICARN CCOc1cc(C=C2SC(NC3CCCC3)=NC2=O)cc(Cl)c1OC ZINC000023218698 570987225 /nfs/dbraw/zinc/98/72/25/570987225.db2.gz GGRMQTKNNJDISP-GDNBJRDFSA-N 0 0 380.897 4.250 50 10 GICARN O=C(NCc1ccccc1O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000084504885 571020097 /nfs/dbraw/zinc/02/00/97/571020097.db2.gz DPNZADFOTZCEAJ-UHFFFAOYSA-N 0 0 393.830 4.421 50 10 GICARN CCN(CC)c1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000002298973 817382890 /nfs/dbraw/zinc/38/28/90/817382890.db2.gz RCHMXZLEDSTEFJ-RFAWQRTRSA-N 0 0 375.516 4.170 50 10 GICARN Cc1cc(C(=O)COC(=O)c2ccc(C)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003388251 817446734 /nfs/dbraw/zinc/44/67/34/817446734.db2.gz VCPGRBKQGBWGEE-UHFFFAOYSA-N 0 0 391.423 4.171 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(NC(=O)C(C)(Cl)Cl)cc2)SC1=S ZINC000005445771 817584202 /nfs/dbraw/zinc/58/42/02/817584202.db2.gz JNKHSOWOFHCZMU-DHZHZOJOSA-N 0 0 389.329 4.040 50 10 GICARN CNc1ccc(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)cc1[N+](=O)[O-] ZINC000006832150 817718161 /nfs/dbraw/zinc/71/81/61/817718161.db2.gz XASGQJHXKITQPQ-YVLHZVERSA-N 0 0 382.445 4.336 50 10 GICARN CN(C)c1ccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1 ZINC000007586198 817874687 /nfs/dbraw/zinc/87/46/87/817874687.db2.gz NFRZKQHEZMNPOF-SDNWHVSQSA-N 0 0 385.389 4.426 50 10 GICARN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000058818995 823458432 /nfs/dbraw/zinc/45/84/32/823458432.db2.gz ZVCMLUFXDHFSBM-UHFFFAOYSA-N 0 0 392.503 4.174 50 10 GICARN CC(C)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000038655221 821098793 /nfs/dbraw/zinc/09/87/93/821098793.db2.gz NHQOFPUSBJNHEB-UHFFFAOYSA-N 0 0 396.512 4.199 50 10 GICARN O=C1/C(=C/c2cnn(-c3ccc(Cl)cc3)c2)SC(=S)N1c1cccnc1 ZINC000040139650 821147455 /nfs/dbraw/zinc/14/74/55/821147455.db2.gz XMTAMCMDSLHRTF-PXNMLYILSA-N 0 0 398.900 4.327 50 10 GICARN Cc1ccccc1NC(=O)CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000016746052 210196456 /nfs/dbraw/zinc/19/64/56/210196456.db2.gz PAPJCGIRHOMPJY-TYUKPDHWSA-N 0 0 394.521 4.391 50 10 GICARN Cc1ccc(OCCOc2ccccc2C=C2SC(=S)NC2=O)c(C)c1 ZINC000015800638 210170929 /nfs/dbraw/zinc/17/09/29/210170929.db2.gz DPRNNBCQTPMXHO-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN Cc1ccc(C)c(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000015800684 210170557 /nfs/dbraw/zinc/17/05/57/210170557.db2.gz GOZKIIGDHDHCCW-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000015013444 210143334 /nfs/dbraw/zinc/14/33/34/210143334.db2.gz LNMHGGQZGRAERZ-DEDYPNTBSA-N 0 0 395.890 4.342 50 10 GICARN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000014009507 210099675 /nfs/dbraw/zinc/09/96/75/210099675.db2.gz KBSXEGXABARWTB-MFOYZWKCSA-N 0 0 384.863 4.016 50 10 GICARN CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2F)C(C)=C1C(=O)OC ZINC000014010055 210099571 /nfs/dbraw/zinc/09/95/71/210099571.db2.gz DPWRLOMTWHGLLT-SSZFMOIBSA-N 0 0 381.403 4.102 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1O ZINC000013686145 210079796 /nfs/dbraw/zinc/07/97/96/210079796.db2.gz KJMOIFNDRGRHGU-YBEGLDIGSA-N 0 0 375.446 4.336 50 10 GICARN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2ccccc2)cc1 ZINC000013619091 210072284 /nfs/dbraw/zinc/07/22/84/210072284.db2.gz DBWCTMXAFPCPGF-QNGOZBTKSA-N 0 0 399.406 4.438 50 10 GICARN CCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1OC ZINC000013496684 210065806 /nfs/dbraw/zinc/06/58/06/210065806.db2.gz YICBUPPRDRGLSL-ATVHPVEESA-N 0 0 386.498 4.322 50 10 aggregator GICARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)S2)c1 ZINC000013041968 210049422 /nfs/dbraw/zinc/04/94/22/210049422.db2.gz ATQAZRQFONJFMS-WQRHYEAKSA-N 0 0 396.472 4.360 50 10 GICARN CCc1cccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000013069764 210049569 /nfs/dbraw/zinc/04/95/69/210049569.db2.gz UNZUAIPSADUPEY-HNNXBMFYSA-N 0 0 398.462 4.464 50 10 GICARN Cc1ccccc1NC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H](C)C2)c1[O-] ZINC000012889996 210023058 /nfs/dbraw/zinc/02/30/58/210023058.db2.gz RWTWZGHGISOKQM-QGZVFWFLSA-N 0 0 390.483 4.327 50 10 GICARN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000012437269 209954320 /nfs/dbraw/zinc/95/43/20/209954320.db2.gz ZTQBDPYCHCCTJS-RGEXLXHISA-N 0 0 378.432 4.247 50 10 GICARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(Cl)c1Cl ZINC000010906972 209866931 /nfs/dbraw/zinc/86/69/31/209866931.db2.gz CAHRKNLVQZEXGL-UHFFFAOYSA-N 0 0 379.287 4.102 50 10 GICARN CO[C@@H](C(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O)c1ccccc1 ZINC000009419291 209828423 /nfs/dbraw/zinc/82/84/23/209828423.db2.gz VQSQHUGMJKHABK-FYYLOGMGSA-N 0 0 386.451 4.458 50 10 GICARN Cc1cc(C(=O)COC(=O)c2sc(C)nc2C)c(C)n1-c1ccccc1F ZINC000005643532 209606819 /nfs/dbraw/zinc/60/68/19/209606819.db2.gz OTBRYDKTGNVWBX-UHFFFAOYSA-N 0 0 386.448 4.346 50 10 GICARN COc1cc(OC)c(C=C2SC(Nc3ccc(C)cc3)=NC2=O)c(OC)c1 ZINC000005126578 209571908 /nfs/dbraw/zinc/57/19/08/209571908.db2.gz KZCJAFVGDAKBMU-WOJGMQOQSA-N 0 0 384.457 4.103 50 10 GICARN CCSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3)C(=N)N12 ZINC000004909297 209542229 /nfs/dbraw/zinc/54/22/29/209542229.db2.gz LTFULEZKRRFJBM-GQECEEOXSA-N 0 0 395.513 4.115 50 10 GICARN CCCN1C(=O)/C(=C\c2ccccc2OCC)C(=O)N(c2ccccc2)C1=S ZINC000004739657 209520676 /nfs/dbraw/zinc/52/06/76/209520676.db2.gz ARAREOIHZFACOO-OBGWFSINSA-N 0 0 394.496 4.039 50 10 GICARN O=c1oc2c(cc(Cl)c3c2CN(c2ccc4c(c2)OCO4)CO3)c2c1CCC2 ZINC000002372640 209359845 /nfs/dbraw/zinc/35/98/45/209359845.db2.gz JRNFRTOJHOZEMI-UHFFFAOYSA-N 0 0 397.814 4.020 50 10 GICARN Cc1ccc(C(=O)NN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000002313230 209356244 /nfs/dbraw/zinc/35/62/44/209356244.db2.gz STFXOLMKIPFTSX-WIXUPIFPSA-N 0 0 380.494 4.097 50 10 GICARN C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)ccc2O1 ZINC000002241717 209352326 /nfs/dbraw/zinc/35/23/26/209352326.db2.gz VPEHQDFEVBNRNX-NFECSFHCSA-N 0 0 381.522 4.454 50 10 GICARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccc2c(c1)OCO2 ZINC000010215220 209321595 /nfs/dbraw/zinc/32/15/95/209321595.db2.gz LTXISQBKRVUWGH-JPYJTQIMSA-N 0 0 386.407 4.363 50 10 GICARN O=C(NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1ccccc1 ZINC000001242721 209317095 /nfs/dbraw/zinc/31/70/95/209317095.db2.gz UDLPJUOAVQIWIS-ZROIWOOFSA-N 0 0 392.864 4.025 50 10 GICARN CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000001153038 209307701 /nfs/dbraw/zinc/30/77/01/209307701.db2.gz LRGWPNFKTMCOLG-UHFFFAOYSA-N 0 0 383.300 4.093 50 10 GICARN CCN1C(=O)/C(=C/c2sccc2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000001122016 209303707 /nfs/dbraw/zinc/30/37/07/209303707.db2.gz VQYWOBIVIAARFC-UVTDQMKNSA-N 0 0 390.917 4.274 50 10 GICARN COC(=O)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3C)C2=O)cc1 ZINC000001051976 209294028 /nfs/dbraw/zinc/29/40/28/209294028.db2.gz FJIYHJAIRPFUEM-BOPFTXTBSA-N 0 0 398.509 4.052 50 10 GICARN COc1ccc(/C=C2/N=C(c3ccccc3)NN(Cc3ccccc3)C2=O)cc1 ZINC000001036507 209290970 /nfs/dbraw/zinc/29/09/70/209290970.db2.gz PUASMPWCCMFFNX-CJLVFECKSA-N 0 0 383.451 4.030 50 10 GICARN O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc2ccccc2c1 ZINC000000944051 209281740 /nfs/dbraw/zinc/28/17/40/209281740.db2.gz ZJCHFNKIRWOXLU-UHFFFAOYSA-N 0 0 378.247 4.109 50 10 GICARN CC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=N)S1 ZINC000000870567 209274989 /nfs/dbraw/zinc/27/49/89/209274989.db2.gz VKJFZQYIFLHOPH-OXMFYWCOSA-N 0 0 394.431 4.044 50 10 GICARN COc1ccccc1[C@@H](NC(=O)C(C)C)c1cc(Cl)c2cccnc2c1O ZINC000000801083 209267057 /nfs/dbraw/zinc/26/70/57/209267057.db2.gz AIHIZRKOSJIJRP-GOSISDBHSA-N 0 0 384.863 4.464 50 10 GICARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cnn(Cc2ccccc2)c1 ZINC000096919841 209241836 /nfs/dbraw/zinc/24/18/36/209241836.db2.gz PGYVEXKHKFKOAB-VCHYOVAHSA-N 0 0 388.496 4.264 50 10 GICARN COc1cccc(C=C2SC(NC3CCCCC3)=NC2=O)c1OC(F)F ZINC000096669701 209241797 /nfs/dbraw/zinc/24/17/97/209241797.db2.gz CHTDOXRVUUKXGL-GXDHUFHOSA-N 0 0 382.432 4.189 50 10 GICARN CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000227486620 209188141 /nfs/dbraw/zinc/18/81/41/209188141.db2.gz BBPGRYHTHQBEIY-WMZHIEFXSA-N 0 0 387.439 4.428 50 10 GICARN O=C(c1ccccc1Cl)N1N=C(c2ccccn2)C[C@@H]1c1ccccc1O ZINC000225783156 211925684 /nfs/dbraw/zinc/92/56/84/211925684.db2.gz JZKSEKITPYHBOZ-LJQANCHMSA-N 0 0 377.831 4.432 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 ZINC000004860736 211553141 /nfs/dbraw/zinc/55/31/41/211553141.db2.gz JQENHOIEIUZNMN-GZTJUZNOSA-N 0 0 387.482 4.118 50 10 GICARN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCSCc1[nH]cnc1C ZINC000100423338 211387255 /nfs/dbraw/zinc/38/72/55/211387255.db2.gz OKIYPNFJLQIFAJ-SILNSSARSA-N 0 0 397.548 4.018 50 10 GICARN CC1=CSC2=NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=N)N12 ZINC000049672613 210865414 /nfs/dbraw/zinc/86/54/14/210865414.db2.gz VLTIFNCIATXTKF-FEPFWZQZSA-N 0 0 394.412 4.330 50 10 GICARN Cc1ccccc1-n1cccc1/C=C1\C(=N)N2N=C(CC(C)C)SC2=NC1=O ZINC000032964391 210610285 /nfs/dbraw/zinc/61/02/85/210610285.db2.gz AQMXOQIIJNZSCQ-KBQFJHCTSA-N 0 0 391.500 4.451 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc21 ZINC000020412627 210331909 /nfs/dbraw/zinc/33/19/09/210331909.db2.gz LQDBMTBXSWCQHZ-UHFFFAOYSA-N 0 0 383.444 4.025 50 10 GICARN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000020058655 210314580 /nfs/dbraw/zinc/31/45/80/210314580.db2.gz OLASJQFUQSXNEL-YBFXNURJSA-N 0 0 392.846 4.240 50 10 GICARN COc1ccccc1-c1coc2c(ccc([O-])c2C[NH+]2CCC(C)CC2)c1=O ZINC000019790380 210296557 /nfs/dbraw/zinc/29/65/57/210296557.db2.gz DIPBHKKCKVWICC-UHFFFAOYSA-N 0 0 379.456 4.406 50 10 GICARN COc1ccc(-c2coc3c(C[NH+]4CCCCC4)c([O-])cc(C)c3c2=O)cc1 ZINC000011865256 221133519 /nfs/dbraw/zinc/13/35/19/221133519.db2.gz WISOSCCECFQFRB-UHFFFAOYSA-N 0 0 379.456 4.469 50 10 GICARN CCOC(=O)c1ccc(N2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)nc1 ZINC000078876586 136172584 /nfs/dbraw/zinc/17/25/84/136172584.db2.gz SOYPYSAMBGWAHT-UHFFFAOYSA-N 0 0 377.444 4.042 50 10 GICARN COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC ZINC000022135330 570326369 /nfs/dbraw/zinc/32/63/69/570326369.db2.gz NZGWZSDYZCCPSR-UVTDQMKNSA-N 0 0 376.334 4.052 50 10 GICARN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N(C)C ZINC000004844590 570338956 /nfs/dbraw/zinc/33/89/56/570338956.db2.gz YQSDVQWHPZSBOP-YVLHZVERSA-N 0 0 398.850 4.429 50 10 GICARN CCCCOC(=O)CCN1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S ZINC000006359224 570398104 /nfs/dbraw/zinc/39/81/04/570398104.db2.gz RHWSTNZSAHNRGX-DTQAZKPQSA-N 0 0 377.531 4.184 50 10 GICARN CN(Cc1ccccc1O)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000053914830 570422711 /nfs/dbraw/zinc/42/27/11/570422711.db2.gz KAAVYSIXVJOEKB-UHFFFAOYSA-N 0 0 386.791 4.486 50 10 GICARN CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)cc1 ZINC000005111709 570429780 /nfs/dbraw/zinc/42/97/80/570429780.db2.gz XBJPFSLYNLYOET-UHFFFAOYSA-N 0 0 380.473 4.012 50 10 GICARN Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1C ZINC000028287895 570454677 /nfs/dbraw/zinc/45/46/77/570454677.db2.gz APPLYISIDPXRID-UHFFFAOYSA-N 0 0 389.499 4.377 50 10 GICARN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCC(C)CC2)cc1 ZINC000000832352 570486347 /nfs/dbraw/zinc/48/63/47/570486347.db2.gz AGGOMOFLGGOOPH-FFYTWODTSA-N 0 0 399.535 4.283 50 10 GICARN CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccccc2)cc1 ZINC000004757976 570497681 /nfs/dbraw/zinc/49/76/81/570497681.db2.gz CHXDFRLYQBMRSG-UHFFFAOYSA-N 0 0 397.482 4.312 50 10 GICARN Cc1ccc2nc(-c3ccc(O)c(O)c3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000035606436 570555841 /nfs/dbraw/zinc/55/58/41/570555841.db2.gz YOCKLNHXYQRFKO-UHFFFAOYSA-N 0 0 389.411 4.236 50 10 GICARN Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2[O-])[NH+]2CCN(C)CC2)cc1 ZINC000022861020 570558381 /nfs/dbraw/zinc/55/83/81/570558381.db2.gz SMBVLTDYPBOIRN-OAQYLSRUSA-N 0 0 381.907 4.239 50 10 GICARN COc1ccc(N2CCN(CC(=O)c3c(C)[nH]c4cc(C)ccc43)C[C@@H]2C)cc1 ZINC000036184037 570562880 /nfs/dbraw/zinc/56/28/80/570562880.db2.gz BFQWOLHEPDGCJY-KRWDZBQOSA-N 0 0 391.515 4.187 50 10 GICARN CCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 ZINC000006747951 570566941 /nfs/dbraw/zinc/56/69/41/570566941.db2.gz UAPUZXIGNNSMFV-HSZRJFAPSA-N 0 0 396.531 4.363 50 10 GICARN COc1ccc(N(C)CN2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1 ZINC000034138494 570579289 /nfs/dbraw/zinc/57/92/89/570579289.db2.gz VGBNAZTXEYMFBQ-GZTJUZNOSA-N 0 0 388.489 4.129 50 10 GICARN Cc1cc(C(=S)N=P(N(C)C)(N(C)C)N(C)C)c(C)n1-c1ccccc1 ZINC000005577881 570659946 /nfs/dbraw/zinc/65/99/46/570659946.db2.gz MIJMOJRMSHENDU-UHFFFAOYSA-N 0 0 391.525 4.401 50 10 GICARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccccc1 ZINC000006973108 570724325 /nfs/dbraw/zinc/72/43/25/570724325.db2.gz QATWUCCAEUPAAX-UHFFFAOYSA-N 0 0 380.469 4.316 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=N)S1 ZINC000005187038 570731824 /nfs/dbraw/zinc/73/18/24/570731824.db2.gz AAOBZIQQMWSLJQ-ALGNWURXSA-N 0 0 377.473 4.123 50 10 GICARN CCOc1ccc(NC(=O)N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 ZINC000007039481 570758034 /nfs/dbraw/zinc/75/80/34/570758034.db2.gz BINISJMAUIGJSG-PDGQHHTCSA-N 0 0 398.850 4.167 50 10 GICARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4)S3)CC2)cc1Cl ZINC000005852981 570797166 /nfs/dbraw/zinc/79/71/66/570797166.db2.gz GZBDFNAYVRADFL-CPNJWEJPSA-N 0 0 397.931 4.441 50 10 GICARN CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCc2cccc(Cl)c2)S1 ZINC000004677080 570823260 /nfs/dbraw/zinc/82/32/60/570823260.db2.gz MQOSNWHGQLHJQD-YVLHZVERSA-N 0 0 386.860 4.025 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(C)cc1 ZINC000102631768 570855072 /nfs/dbraw/zinc/85/50/72/570855072.db2.gz FHONFDDCANOVNU-XSFVSMFZSA-N 0 0 377.440 4.271 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1O ZINC000004714379 570858780 /nfs/dbraw/zinc/85/87/80/570858780.db2.gz BIRSXGIDAGGHPO-OVCLIPMQSA-N 0 0 377.874 4.460 50 10 GICARN O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC(=S)N1Nc1ccccc1 ZINC000015659163 570901074 /nfs/dbraw/zinc/90/10/74/570901074.db2.gz LNZKLEHSEMFLGJ-YUDPATCQSA-N 0 0 383.454 4.379 50 10 GICARN COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)ccc1O ZINC000001321785 570958451 /nfs/dbraw/zinc/95/84/51/570958451.db2.gz NQVUUYKCIYGUES-WZONZLPQSA-N 0 0 394.471 4.230 50 10 GICARN Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1C ZINC000004745483 570960335 /nfs/dbraw/zinc/96/03/35/570960335.db2.gz MUUALEAXIDSLPO-LFIBNONCSA-N 0 0 386.498 4.126 50 10 GICARN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000107158558 570972219 /nfs/dbraw/zinc/97/22/19/570972219.db2.gz ZLSBKAMILMFJBN-CXUHLZMHSA-N 0 0 386.205 4.163 50 10 GICARN Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1cc(C)cc(C)c1 ZINC000012734198 570976744 /nfs/dbraw/zinc/97/67/44/570976744.db2.gz NGQKYCUBASOPHP-UHFFFAOYSA-N 0 0 389.499 4.029 50 10 GICARN Cc1cc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)c(C)n1-c1ccccn1 ZINC000252515770 570983296 /nfs/dbraw/zinc/98/32/96/570983296.db2.gz NGFUTOHDVQVDNF-LYHRCORUSA-N 0 0 389.499 4.480 50 10 GICARN Cc1cc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c(C)n1-c1cccc(C)c1 ZINC000252570773 570995727 /nfs/dbraw/zinc/99/57/27/570995727.db2.gz XDHWNWWLZWEBTI-LJQANCHMSA-N 0 0 387.483 4.258 50 10 GICARN Cc1cc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c(C)n1-c1ccccn1 ZINC000084081359 570996280 /nfs/dbraw/zinc/99/62/80/570996280.db2.gz VICKRIDOGLNMRR-LJQANCHMSA-N 0 0 379.435 4.272 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000004812187 570999068 /nfs/dbraw/zinc/99/90/68/570999068.db2.gz XQKHVENFBUOACR-QNGOZBTKSA-N 0 0 399.406 4.438 50 10 GICARN CC(=O)Nc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(C(F)(F)F)c1 ZINC000043950485 571048893 /nfs/dbraw/zinc/04/88/93/571048893.db2.gz IQHAXCDDBKOVAL-UHFFFAOYSA-N 0 0 394.397 4.052 50 10 GICARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(F)cc1 ZINC000003349689 817441176 /nfs/dbraw/zinc/44/11/76/817441176.db2.gz WERSRJHESIEBLS-UHFFFAOYSA-N 0 0 384.382 4.168 50 10 GICARN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1-c1ccccc1 ZINC000003355311 817442079 /nfs/dbraw/zinc/44/20/79/817442079.db2.gz UIJWZQLPVZOUDI-UHFFFAOYSA-N 0 0 384.413 4.104 50 10 GICARN COc1ccc2ncc(/C=C/[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)cc2c1 ZINC000003999970 817495833 /nfs/dbraw/zinc/49/58/33/817495833.db2.gz CVLQDQPZKJLXDX-MYHFBWBUSA-N 0 0 399.494 4.271 50 10 GICARN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1 ZINC000004263568 817514494 /nfs/dbraw/zinc/51/44/94/817514494.db2.gz PIGMQLOENHGLRQ-DQBOXZGESA-N 0 0 394.521 4.473 50 10 GICARN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057413583 823293030 /nfs/dbraw/zinc/29/30/30/823293030.db2.gz DYIVTBUJFHVJMS-UHFFFAOYSA-N 0 0 380.879 4.260 50 10 GICARN COc1ccc(N2CCN(C(=O)c3sc(C)nc3-c3ccccc3)CC2)cc1 ZINC000007850462 817937266 /nfs/dbraw/zinc/93/72/66/817937266.db2.gz WQXZQTHUUMKRPK-UHFFFAOYSA-N 0 0 393.512 4.090 50 10 GICARN CC[C@@H](C)NC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000018084637 210213487 /nfs/dbraw/zinc/21/34/87/210213487.db2.gz LMDXQDDBBRAMFE-YPJZTRPGSA-N 0 0 382.411 4.223 50 10 GICARN Cc1cccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1 ZINC000017145949 210205494 /nfs/dbraw/zinc/20/54/94/210205494.db2.gz XCTYRXTVYWELCH-OIQQPNLJSA-N 0 0 380.860 4.316 50 10 GICARN CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=S ZINC000016157401 210185876 /nfs/dbraw/zinc/18/58/76/210185876.db2.gz BSSVEIZKSXCXDI-JQIJEIRASA-N 0 0 380.560 4.457 50 10 GICARN Cc1cc(C)cc(OCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000015800361 210171820 /nfs/dbraw/zinc/17/18/20/210171820.db2.gz BYOHTQKVGAPVBR-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN COc1ccc(Br)cc1/C=C1\SC(N2CCCCCC2)=NC1=O ZINC000013898349 210095959 /nfs/dbraw/zinc/09/59/59/210095959.db2.gz YAUOTEBJFFZFOO-PTNGSMBKSA-N 0 0 395.322 4.304 50 10 GICARN COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1OC ZINC000013777177 210089809 /nfs/dbraw/zinc/08/98/09/210089809.db2.gz JPCKPIYPUSNZLK-LGMDPLHJSA-N 0 0 385.510 4.148 50 10 GICARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000013711984 210082786 /nfs/dbraw/zinc/08/27/86/210082786.db2.gz FXCCBPZQJGULIU-PXNMLYILSA-N 0 0 389.885 4.470 50 10 GICARN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000013623870 210072986 /nfs/dbraw/zinc/07/29/86/210072986.db2.gz OKRRRPUAENUYAD-OAHLLOKOSA-N 0 0 379.456 4.406 50 10 GICARN COc1ccc(N2C(=O)c3ccccc3N(C)[C@H]2c2cccc(OC)c2O)cc1 ZINC000012735274 209996390 /nfs/dbraw/zinc/99/63/90/209996390.db2.gz CCZNHWLMGXKTAT-JOCHJYFZSA-N 0 0 390.439 4.205 50 10 GICARN CCOc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1 ZINC000009188355 209815005 /nfs/dbraw/zinc/81/50/05/209815005.db2.gz NBTXKZRYFBUJCJ-JXAWBTAJSA-N 0 0 385.510 4.366 50 10 GICARN Cc1cc(C)cc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000008683164 209793311 /nfs/dbraw/zinc/79/33/11/209793311.db2.gz JKEKMOLOEAQDTP-UHFFFAOYSA-N 0 0 385.419 4.096 50 10 GICARN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(OC)c1O ZINC000007165961 209723062 /nfs/dbraw/zinc/72/30/62/209723062.db2.gz WWRGVCXDWYZAHU-YBEGLDIGSA-N 0 0 387.482 4.124 50 10 GICARN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)N2CCc3ccccc32)cc1 ZINC000005098684 209569372 /nfs/dbraw/zinc/56/93/72/209569372.db2.gz DSQSWYFWCBYNIY-XMMPIXPASA-N 0 0 385.511 4.286 50 10 aggregator GICARN CCCOC(=O)CCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S ZINC000005010050 209558362 /nfs/dbraw/zinc/55/83/62/209558362.db2.gz BKCWGQSMSTVJBC-NTCAYCPXSA-N 0 0 379.503 4.266 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000004663615 209506875 /nfs/dbraw/zinc/50/68/75/209506875.db2.gz KPVBFKMOHYGSGJ-WBIXSPHCSA-N 0 0 391.500 4.369 50 10 GICARN O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccc2ccccc21 ZINC000004570555 209498680 /nfs/dbraw/zinc/49/86/80/209498680.db2.gz DLFPXSBQCNEPMS-SFHVURJKSA-N 0 0 376.437 4.437 50 10 GICARN CCCCC1(CC(=O)OCC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000002491618 209367150 /nfs/dbraw/zinc/36/71/50/209367150.db2.gz OAUJJXRNUVURPJ-UHFFFAOYSA-N 0 0 394.471 4.111 50 10 GICARN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[NH+]2CCCCC2)c1[O-] ZINC000002286207 209354899 /nfs/dbraw/zinc/35/48/99/209354899.db2.gz GGUPXZNQYOMNRH-UHFFFAOYSA-N 0 0 384.501 4.479 50 10 GICARN CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(Br)cc2)SC1=S ZINC000002112795 209347146 /nfs/dbraw/zinc/34/71/46/209347146.db2.gz CIFUBNNLWIYJIM-GHXNOFRVSA-N 0 0 394.319 4.060 50 10 GICARN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001417236 209327358 /nfs/dbraw/zinc/32/73/58/209327358.db2.gz JRXCPZLUPHDMGC-VIZOYTHASA-N 0 0 375.858 4.475 50 10 GICARN Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000001452711 209329356 /nfs/dbraw/zinc/32/93/56/209329356.db2.gz IIDSVRMPXVCXNG-GZTJUZNOSA-N 0 0 377.494 4.337 50 10 GICARN COc1ccc(CCN2C(=O)/C(=C/[C@H]3CC=CCC3)SC2=S)cc1OC ZINC000001450827 209329050 /nfs/dbraw/zinc/32/90/50/209329050.db2.gz WABBBGADLAEADC-RVAQLADHSA-N 0 0 389.542 4.347 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 ZINC000001227285 209315744 /nfs/dbraw/zinc/31/57/44/209315744.db2.gz JQENHOIEIUZNMN-BOPFTXTBSA-N 0 0 387.482 4.118 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000001208107 209314722 /nfs/dbraw/zinc/31/47/22/209314722.db2.gz AIMWWPWRYRXTIR-WJDWOHSUSA-N 0 0 386.454 4.399 50 10 GICARN COc1ccc(CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000001165189 209308565 /nfs/dbraw/zinc/30/85/65/209308565.db2.gz ZMCYPDCPBFEGED-YBEGLDIGSA-N 0 0 386.454 4.005 50 10 GICARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(OC)c1)CO3 ZINC000002160141 209229018 /nfs/dbraw/zinc/22/90/18/209229018.db2.gz DSXTUNJDJAVVQU-UHFFFAOYSA-N 0 0 381.428 4.038 50 10 GICARN COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(C(C)C)cc34)CC2)cc1 ZINC000054105894 209212547 /nfs/dbraw/zinc/21/25/47/209212547.db2.gz BHZGZBASSLYXEK-UHFFFAOYSA-N 0 0 392.499 4.247 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)c(Br)c1 ZINC000033323264 209182513 /nfs/dbraw/zinc/18/25/13/209182513.db2.gz DAVCCPIDTRBITI-LFIBNONCSA-N 0 0 384.277 4.321 50 10 GICARN Cc1cc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c(C)n1-c1ccc(F)cc1 ZINC000241815973 211973195 /nfs/dbraw/zinc/97/31/95/211973195.db2.gz SEPCLCCLSLKMBI-QGZVFWFLSA-N 0 0 391.446 4.089 50 10 GICARN CCc1ccccc1NC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000006081289 211575230 /nfs/dbraw/zinc/57/52/30/211575230.db2.gz XKLXTJDLYXACJD-XNTDXEJSSA-N 0 0 388.539 4.150 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=N)S1 ZINC000005516332 211568117 /nfs/dbraw/zinc/56/81/17/211568117.db2.gz APKQJBOUZPCYIL-DODDZMEZSA-N 0 0 395.463 4.262 50 10 GICARN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1 ZINC000004159195 211534018 /nfs/dbraw/zinc/53/40/18/211534018.db2.gz QTDBYIAXVXGJHK-VBKFSLOCSA-N 0 0 386.473 4.056 50 10 GICARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(F)cc1 ZINC000003357693 211521125 /nfs/dbraw/zinc/52/11/25/211521125.db2.gz KAASGJRCNRSRFI-UHFFFAOYSA-N 0 0 380.419 4.337 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000100579740 211388280 /nfs/dbraw/zinc/38/82/80/211388280.db2.gz JZVYLMUZMBGIOP-NTEUORMPSA-N 0 0 386.205 4.163 50 10 GICARN CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(F)cc1F ZINC000100249887 211383170 /nfs/dbraw/zinc/38/31/70/211383170.db2.gz NHNBIXHVIZIZLZ-UVTDQMKNSA-N 0 0 377.778 4.311 50 10 GICARN CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000060360664 210927269 /nfs/dbraw/zinc/92/72/69/210927269.db2.gz NQXDEENPCTZKSY-HXUWFJFHSA-N 0 0 395.547 4.171 50 10 GICARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000020037245 210311953 /nfs/dbraw/zinc/31/19/53/210311953.db2.gz QQQKXIIFNGTDJW-PSVHDLGESA-N 0 0 380.448 4.400 50 10 GICARN CCN1CCN(C2=NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)CC1 ZINC000019841933 210303143 /nfs/dbraw/zinc/30/31/43/210303143.db2.gz AMAKDYNMJWTWHU-SILNSSARSA-N 0 0 393.512 4.087 50 10 GICARN O=C(CSc1nc(-c2ccc(O)c(O)c2)cs1)c1cc([N+](=O)[O-])cs1 ZINC000012173559 221161630 /nfs/dbraw/zinc/16/16/30/221161630.db2.gz OJIQYWDDXUDDMT-UHFFFAOYSA-N 0 0 394.455 4.166 50 10 GICARN Cc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1 ZINC000044169806 132418009 /nfs/dbraw/zinc/41/80/09/132418009.db2.gz MUYJKFIOTNTCIW-UHFFFAOYSA-N 0 0 396.512 4.020 50 10 GICARN Cc1cc(C(=O)OCC(=O)NCc2ccccc2Cl)c(C)n1-c1ccccc1 ZINC000003322535 524196278 /nfs/dbraw/zinc/19/62/78/524196278.db2.gz BOQHIDCAKLIOMV-UHFFFAOYSA-N 0 0 396.874 4.221 50 10 GICARN CCCOC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000006073057 570234632 /nfs/dbraw/zinc/23/46/32/570234632.db2.gz PZSHXEXLCJUJPT-WUXMJOGZSA-N 0 0 390.313 4.148 50 10 GICARN O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1CCOc1ccccc1 ZINC000001125386 570244197 /nfs/dbraw/zinc/24/41/97/570244197.db2.gz VYUUUAYRMKNIQO-SILNSSARSA-N 0 0 394.496 4.402 50 10 GICARN CN(C)c1ccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000023745196 570331006 /nfs/dbraw/zinc/33/10/06/570331006.db2.gz VGEGZRZFWXTEGE-UHFFFAOYSA-N 0 0 378.516 4.253 50 10 GICARN Cc1ccccc1[C@H]1CC(c2ccccc2O)=NN1S(=O)(=O)c1ccccc1 ZINC000023042548 570341248 /nfs/dbraw/zinc/34/12/48/570341248.db2.gz JWXFTIQFZKRXNK-OAQYLSRUSA-N 0 0 392.480 4.241 50 10 GICARN COC(=O)CCCCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000004860610 570350073 /nfs/dbraw/zinc/35/00/73/570350073.db2.gz JTGHUYBKUMNFKY-SDNWHVSQSA-N 0 0 383.922 4.275 50 10 GICARN CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000004043601 570355582 /nfs/dbraw/zinc/35/55/82/570355582.db2.gz JKGCBZXHNUIVLO-MGPUTAFESA-N 0 0 387.524 4.140 50 10 GICARN Cc1ccc(C)n1-c1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004620944 570388426 /nfs/dbraw/zinc/38/84/26/570388426.db2.gz IUYOZJFUVHZLTQ-UHFFFAOYSA-N 0 0 376.460 4.329 50 10 GICARN N=C1/C(=C\c2ccco2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000004648750 570389404 /nfs/dbraw/zinc/38/94/04/570389404.db2.gz ABDGPYIQRSDXEF-QYWZJITKSA-N 0 0 380.473 4.115 50 10 GICARN CN(Cc1ccccc1O)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000053916069 570439394 /nfs/dbraw/zinc/43/93/94/570439394.db2.gz WSAXGJZMKSJXJV-UHFFFAOYSA-N 0 0 375.472 4.254 50 10 GICARN CCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000028288104 570454591 /nfs/dbraw/zinc/45/45/91/570454591.db2.gz VFYMZCNAFOZBHX-UHFFFAOYSA-N 0 0 375.472 4.393 50 10 GICARN Cc1cccc(C)c1OCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000028288261 570454736 /nfs/dbraw/zinc/45/47/36/570454736.db2.gz YXBXENUEIYCDSJ-UHFFFAOYSA-N 0 0 389.499 4.377 50 10 GICARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)OCCCO2 ZINC000024207951 570477643 /nfs/dbraw/zinc/47/76/43/570477643.db2.gz IPFQPIADALNOJL-UHFFFAOYSA-N 0 0 380.488 4.110 50 10 GICARN O=C(NCc1c(O)ccc2c1CCCC2)c1occc1COc1ccccc1 ZINC000078947254 570509930 /nfs/dbraw/zinc/50/99/30/570509930.db2.gz CNTFHVMJRXGSNJ-UHFFFAOYSA-N 0 0 377.440 4.373 50 10 GICARN N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000080348197 570511323 /nfs/dbraw/zinc/51/13/23/570511323.db2.gz QUPDLUIRGZWNDE-WKWHHHHXSA-N 0 0 398.850 4.341 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(Cl)nc3)c2C)cc1 ZINC000006634405 570512683 /nfs/dbraw/zinc/51/26/83/570512683.db2.gz PTNGSPXKKJUOHD-UHFFFAOYSA-N 0 0 398.846 4.191 50 10 GICARN COc1cccc(-n2c(C)cc(C(=O)Nc3cccc(NC(C)=O)c3)c2C)c1 ZINC000040069515 570545777 /nfs/dbraw/zinc/54/57/77/570545777.db2.gz CBYPLDBMTXVIAD-UHFFFAOYSA-N 0 0 377.444 4.313 50 10 GICARN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000012418899 570670874 /nfs/dbraw/zinc/67/08/74/570670874.db2.gz UESDVULPXDTZTF-DHDCSXOGSA-N 0 0 391.901 4.416 50 10 GICARN CCCCCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000005645843 570679039 /nfs/dbraw/zinc/67/90/39/570679039.db2.gz YLGIAGJWGFCVSN-JSUXISIESA-N 0 0 388.533 4.335 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc21 ZINC000006937813 570712412 /nfs/dbraw/zinc/71/24/12/570712412.db2.gz XNXOLVHIFXKTSJ-UHFFFAOYSA-N 0 0 397.471 4.333 50 10 GICARN COc1ccc([C@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000096602137 570774843 /nfs/dbraw/zinc/77/48/43/570774843.db2.gz BCKQJEPNHUHCRN-QHCPKHFHSA-N 0 0 398.462 4.397 50 10 GICARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000097992443 570775284 /nfs/dbraw/zinc/77/52/84/570775284.db2.gz DQFGDBRGOKFZCG-SFQUDFHCSA-N 0 0 383.429 4.311 50 10 GICARN CSC1=NC(C)(C)C[C@]2(C[C@@H](c3cccs3)c3ccc(O)c(O)c3O2)N1 ZINC000005840107 570796851 /nfs/dbraw/zinc/79/68/51/570796851.db2.gz MBCPPOKJQJROEC-CWTRNNRKSA-N 0 0 390.530 4.261 50 10 GICARN CCCNC(CC)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000005977879 570811069 /nfs/dbraw/zinc/81/10/69/570811069.db2.gz VAVOKUBQGBVQGY-JLHYYAGUSA-N 0 0 382.411 4.225 50 10 GICARN COC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)cc3C)N=C2C)ccc1Cl ZINC000101113957 570814012 /nfs/dbraw/zinc/81/40/12/570814012.db2.gz JLZDASWQFRPPOL-GZTJUZNOSA-N 0 0 397.862 4.462 50 10 GICARN CC(NC1CCCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000004679125 570824984 /nfs/dbraw/zinc/82/49/84/570824984.db2.gz OBABZGLZGDFZAP-GXDHUFHOSA-N 0 0 394.422 4.367 50 10 GICARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000012555294 570858466 /nfs/dbraw/zinc/85/84/66/570858466.db2.gz MRAINDFDGUXDGT-UHFFFAOYSA-N 0 0 379.287 4.102 50 10 GICARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)N1CCCC1 ZINC000044086256 570862561 /nfs/dbraw/zinc/86/25/61/570862561.db2.gz UNSTZVJFIDJXLT-UHFFFAOYSA-N 0 0 377.513 4.313 50 10 GICARN CN(C)c1ccc(-c2nc3nc4[nH]c(-c5ccc(N(C)C)cc5)nc4cc3[nH]2)cc1 ZINC000001213923 817375397 /nfs/dbraw/zinc/37/53/97/817375397.db2.gz ZMVVBBPBCDZWJB-UHFFFAOYSA-N 0 0 397.486 4.300 50 10 GICARN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1 ZINC000003205356 817421904 /nfs/dbraw/zinc/42/19/04/817421904.db2.gz WHFIXVXKMWPXMV-AQTBWJFISA-N 0 0 386.398 4.479 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2c(C)c(-c3cc(OC)ccc3OC)c(=O)oc21 ZINC000004085063 817501675 /nfs/dbraw/zinc/50/16/75/817501675.db2.gz QQBAQBMSRRCQSW-UHFFFAOYSA-N 0 0 397.471 4.333 50 10 GICARN CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)CC1 ZINC000004168766 817507593 /nfs/dbraw/zinc/50/75/93/817507593.db2.gz WXCXMQOGLQZPAA-KGENOOAVSA-N 0 0 399.494 4.393 50 10 GICARN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C/c1ccccc1OC ZINC000005865023 817624268 /nfs/dbraw/zinc/62/42/68/817624268.db2.gz BQMMGQRGIKNFLP-LDADJPATSA-N 0 0 395.480 4.294 50 10 GICARN COc1ccc(N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000057446515 823298380 /nfs/dbraw/zinc/29/83/80/823298380.db2.gz SJQORZUIRLHJQC-UHFFFAOYSA-N 0 0 383.879 4.326 50 10 GICARN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C=C(c2ccc(Cl)cc2)OC1=O ZINC000012437316 818159427 /nfs/dbraw/zinc/15/94/27/818159427.db2.gz SLUHQMGBSLUJRV-QPEQYQDCSA-N 0 0 387.775 4.247 50 10 GICARN COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1OC(F)F ZINC000012597897 818169972 /nfs/dbraw/zinc/16/99/72/818169972.db2.gz ZEDLCCQBBVFONJ-GDNBJRDFSA-N 0 0 376.384 4.379 50 10 GICARN O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccccc1Br ZINC000013228303 818206575 /nfs/dbraw/zinc/20/65/75/818206575.db2.gz OCQQZASBNWHMGY-LCYFTJDESA-N 0 0 377.288 4.250 50 10 GICARN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1cccc(Cl)c1 ZINC000015277347 210153892 /nfs/dbraw/zinc/15/38/92/210153892.db2.gz FMSBOLKMIUHEDU-DHDCSXOGSA-N 0 0 391.901 4.416 50 10 GICARN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(OC)c1OC ZINC000013898736 210096264 /nfs/dbraw/zinc/09/62/64/210096264.db2.gz WCHUOQLZLLEQSH-LFIBNONCSA-N 0 0 393.530 4.246 50 10 GICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000013800451 210092567 /nfs/dbraw/zinc/09/25/67/210092567.db2.gz SRFIBVCXYDJMPB-ZSOIEALJSA-N 0 0 377.263 4.181 50 10 GICARN CCOc1ccc2c(c1)SC1=NC(=O)/C(=C\c3c[nH]c4ccccc34)C(=N)N21 ZINC000013811608 210092819 /nfs/dbraw/zinc/09/28/19/210092819.db2.gz HDCJMHDFNKHWMO-RBJHLIOGSA-N 0 0 388.452 4.436 50 10 GICARN COc1ccccc1N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S ZINC000013719395 210083234 /nfs/dbraw/zinc/08/32/34/210083234.db2.gz DCXOGDDSQXIEFO-WJDWOHSUSA-N 0 0 379.466 4.044 50 10 GICARN COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)cc(Cl)c1OC ZINC000013096798 210050700 /nfs/dbraw/zinc/05/07/00/210050700.db2.gz GORYBPZRRPJQNG-GDNBJRDFSA-N 0 0 380.897 4.250 50 10 GICARN CCc1cccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000013069766 210048717 /nfs/dbraw/zinc/04/87/17/210048717.db2.gz UNZUAIPSADUPEY-OAHLLOKOSA-N 0 0 398.462 4.464 50 10 GICARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(F)cc1 ZINC000012954901 210035508 /nfs/dbraw/zinc/03/55/08/210035508.db2.gz RMCODNJLLMSWPI-NDENLUEZSA-N 0 0 389.455 4.004 50 10 GICARN Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000012564667 209977004 /nfs/dbraw/zinc/97/70/04/209977004.db2.gz KVDLLELZIIMWHG-UHFFFAOYSA-N 0 0 396.579 4.347 50 10 GICARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1 ZINC000008656976 209791022 /nfs/dbraw/zinc/79/10/22/209791022.db2.gz UFBGVEBQOSOSLD-ATVHPVEESA-N 0 0 397.525 4.010 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 ZINC000007423525 209730882 /nfs/dbraw/zinc/73/08/82/209730882.db2.gz AGIYTBOWQKXDGZ-UHFFFAOYSA-N 0 0 381.501 4.443 50 10 GICARN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(OC)c(OC)c3)S2)cc1 ZINC000006366253 209646112 /nfs/dbraw/zinc/64/61/12/209646112.db2.gz LHUJMSZZUNYCOK-LDADJPATSA-N 0 0 384.457 4.185 50 10 GICARN COc1ccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2O)cc1 ZINC000004942346 209549606 /nfs/dbraw/zinc/54/96/06/209549606.db2.gz XBNKTPIKADMMHV-SFHVURJKSA-N 0 0 378.453 4.454 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C1\c2cccc3c2N(C1=O)C(C)(C)C=C3C ZINC000004731428 209519068 /nfs/dbraw/zinc/51/90/68/209519068.db2.gz KCPSSJHIIOIFNB-FMQUCBEESA-N 0 0 383.451 4.405 50 10 GICARN CC(NCCC(C)C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000004679126 209510591 /nfs/dbraw/zinc/51/05/91/209510591.db2.gz VNONHBKJXQVIFC-SDNWHVSQSA-N 0 0 396.438 4.471 50 10 GICARN Cc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1 ZINC000004547750 209495055 /nfs/dbraw/zinc/49/50/55/209495055.db2.gz XASFWAFBAWIRBJ-AQTBWJFISA-N 0 0 385.510 4.284 50 10 GICARN O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1Cl ZINC000004106750 209465225 /nfs/dbraw/zinc/46/52/25/209465225.db2.gz YFXRZDLTLYEHBE-UYRXBGFRSA-N 0 0 381.863 4.033 50 10 GICARN O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCN(c4ccccc4)CC3)o2)c1 ZINC000004063190 209461569 /nfs/dbraw/zinc/46/15/69/209461569.db2.gz BYMZMMJFQWMDLJ-UHFFFAOYSA-N 0 0 393.468 4.353 50 10 GICARN CCOC(=O)Cc1cc2c(n1-c1ccc(OC(F)(F)F)cc1)C[C@@H](C)CC2=O ZINC000002561619 209369463 /nfs/dbraw/zinc/36/94/63/209369463.db2.gz FSRKABDFQQBHNA-GFCCVEGCSA-N 0 0 395.377 4.247 50 10 GICARN COc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000002646378 209373646 /nfs/dbraw/zinc/37/36/46/209373646.db2.gz MURZKGKANGDTIH-UHFFFAOYSA-N 0 0 396.418 4.037 50 10 GICARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4Cl)S3)CC2)c1 ZINC000002389174 209360261 /nfs/dbraw/zinc/36/02/61/209360261.db2.gz MTCYWOGSSLCTEY-RGEXLXHISA-N 0 0 397.931 4.441 50 10 GICARN Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1C ZINC000001862762 209341079 /nfs/dbraw/zinc/34/10/79/209341079.db2.gz YOSUAQVSLZEJHA-DHDCSXOGSA-N 0 0 388.539 4.205 50 10 GICARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1O ZINC000001190794 209312382 /nfs/dbraw/zinc/31/23/82/209312382.db2.gz SPXAQCRVGKEJGI-GZTJUZNOSA-N 0 0 387.482 4.205 50 10 GICARN O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001186796 209312104 /nfs/dbraw/zinc/31/21/04/209312104.db2.gz VKWUMDPNCSLDRS-UHFFFAOYSA-N 0 0 391.335 4.037 50 10 GICARN CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000001153781 209307868 /nfs/dbraw/zinc/30/78/68/209307868.db2.gz HFGOVTGAMMGJKK-SFQUDFHCSA-N 0 0 399.493 4.278 50 10 GICARN CCOC(=O)[C@@H](C)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C ZINC000001165498 209308395 /nfs/dbraw/zinc/30/83/95/209308395.db2.gz SJJGPPSZPUWRQA-CQSZACIVSA-N 0 0 382.412 4.107 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)SC2=S)cc1Cl ZINC000001136120 209305596 /nfs/dbraw/zinc/30/55/96/209305596.db2.gz WPEAENNEPGJZMJ-GHXNOFRVSA-N 0 0 396.833 4.256 50 10 GICARN COc1cc(Br)cc(CNc2ccc(Cl)c([N+](=O)[O-])c2)c1O ZINC000001085091 209297619 /nfs/dbraw/zinc/29/76/19/209297619.db2.gz HZQBLWFHQMCNEC-UHFFFAOYSA-N 0 0 387.617 4.337 50 10 GICARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O ZINC000001008432 209289274 /nfs/dbraw/zinc/28/92/74/209289274.db2.gz UCIFBTCHBLWIKE-GMROUXNLSA-N 0 0 383.311 4.350 50 10 GICARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000000981281 209284427 /nfs/dbraw/zinc/28/44/27/209284427.db2.gz HFCFVQUVNXJRIY-PWDRBQJJSA-N 0 0 398.484 4.082 50 10 GICARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccccc1 ZINC000000950636 209283195 /nfs/dbraw/zinc/28/31/95/209283195.db2.gz WYHBURNOHGTLDA-AQTBWJFISA-N 0 0 383.904 4.133 50 10 GICARN COc1ccc2nc(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)ccc2c1 ZINC000009419790 209278991 /nfs/dbraw/zinc/27/89/91/209278991.db2.gz USGZEWBZSCBDEU-WOJGMQOQSA-N 0 0 394.477 4.355 50 10 GICARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCc1ccco1 ZINC000000924751 209278842 /nfs/dbraw/zinc/27/88/42/209278842.db2.gz HNYPLYUJLSFKRD-UHFFFAOYSA-N 0 0 393.468 4.193 50 10 GICARN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1 ZINC000000661782 209256828 /nfs/dbraw/zinc/25/68/28/209256828.db2.gz RRJNRIOPOQRFHS-WOJGMQOQSA-N 0 0 392.846 4.240 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2c(C)c(-c3ccc(OC)cc3OC)c(=O)oc21 ZINC000006623812 209233498 /nfs/dbraw/zinc/23/34/98/209233498.db2.gz DOZFBNUAXNITAQ-UHFFFAOYSA-N 0 0 397.471 4.333 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc21 ZINC000004353799 209231404 /nfs/dbraw/zinc/23/14/04/209231404.db2.gz MRTICTQWPUDWTI-UHFFFAOYSA-N 0 0 391.423 4.114 50 10 GICARN COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000169681517 211639035 /nfs/dbraw/zinc/63/90/35/211639035.db2.gz FFWLQISPOPZIPC-CVDCTZTESA-N 0 0 387.439 4.347 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000005516561 211567975 /nfs/dbraw/zinc/56/79/75/211567975.db2.gz PUUBJBUYUXGOBF-RPKGUNMRSA-N 0 0 377.473 4.042 50 10 GICARN Cc1cccc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1 ZINC000003858706 211527582 /nfs/dbraw/zinc/52/75/82/211527582.db2.gz XCTYRXTVYWELCH-JVDIEWMDSA-N 0 0 380.860 4.316 50 10 GICARN Cc1cc(C(=O)CO[C@@H](C)Cc2ncc[nH]2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000089578081 211182192 /nfs/dbraw/zinc/18/21/92/211182192.db2.gz ZOJWMCRVSLKTGJ-ZDUSSCGKSA-N 0 0 389.858 4.440 50 10 GICARN Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(c3ccc(C)cc3)SC2=NC1=O ZINC000051192424 210867064 /nfs/dbraw/zinc/86/70/64/210867064.db2.gz SUZXXCIJRLDPQU-AMWUQPRHSA-N 0 0 399.479 4.452 50 10 GICARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N2O1 ZINC000020236812 210323806 /nfs/dbraw/zinc/32/38/06/210323806.db2.gz MWMVRLMNDJXHPO-BHBBQXGTSA-N 0 0 393.830 4.369 50 10 GICARN N=C1/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC=CN21 ZINC000020210817 210321894 /nfs/dbraw/zinc/32/18/94/210321894.db2.gz ZUODXHKUGKQDPD-WOSMYTDYSA-N 0 0 399.273 4.017 50 10 GICARN COc1ccc(-c2c(=O)c3ccc([O-])c(C[NH+](C)C)c3oc2C(F)(F)F)cc1 ZINC000019883261 210303686 /nfs/dbraw/zinc/30/36/86/210303686.db2.gz ZHUNWJGAXFGKTA-UHFFFAOYSA-N 0 0 393.361 4.255 50 10 GICARN COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)C(C)(C)C ZINC000019855466 210304786 /nfs/dbraw/zinc/30/47/86/210304786.db2.gz UALWJGFZZUYLMN-UHFFFAOYSA-N 0 0 378.476 4.050 50 10 GICARN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2c(s1)CN(C1CC1)C2 ZINC000065238908 136160952 /nfs/dbraw/zinc/16/09/52/136160952.db2.gz BTLPYJLTRBWYJR-UHFFFAOYSA-N 0 0 381.545 4.146 50 10 GICARN COc1ccc(N2CCN(C(=O)c3ccccc3N3CCCC3)CC2(C)C)cc1 ZINC000091997343 136177476 /nfs/dbraw/zinc/17/74/76/136177476.db2.gz CVWWDZPYGRRFKQ-UHFFFAOYSA-N 0 0 393.531 4.036 50 10 GICARN CC(C)OC(=O)CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000001276541 570260191 /nfs/dbraw/zinc/26/01/91/570260191.db2.gz UUTMLPQNBNHJGL-SDQBBNPISA-N 0 0 390.313 4.146 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3F)c2C)cc1 ZINC000004840105 570312302 /nfs/dbraw/zinc/31/23/02/570312302.db2.gz WCHWSSUEOFCFBX-UHFFFAOYSA-N 0 0 381.403 4.282 50 10 GICARN Cc1cccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 ZINC000002959730 570320116 /nfs/dbraw/zinc/32/01/16/570320116.db2.gz RWZHJSMQUMTMLC-QGOAFFKASA-N 0 0 385.510 4.284 50 10 GICARN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)cc1 ZINC000003879087 570352933 /nfs/dbraw/zinc/35/29/33/570352933.db2.gz XDVZBBHKOJWUPB-NYSBEXSLSA-N 0 0 399.535 4.283 50 10 GICARN Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000004688433 570393214 /nfs/dbraw/zinc/39/32/14/570393214.db2.gz QVRINOFPJOMZSR-XDHOZWIPSA-N 0 0 381.863 4.346 50 10 GICARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC ZINC000032904681 570396240 /nfs/dbraw/zinc/39/62/40/570396240.db2.gz DCANUIDNSRCOLJ-CBHXRGPZSA-N 0 0 380.488 4.147 50 10 GICARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccc(F)cc2)C1=O ZINC000005025091 570399153 /nfs/dbraw/zinc/39/91/53/570399153.db2.gz ZDMKGQGMXPHXMO-YMGXUNRSSA-N 0 0 398.484 4.318 50 10 GICARN COc1ccc(CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1OC ZINC000004892292 570415941 /nfs/dbraw/zinc/41/59/41/570415941.db2.gz MHWLAZWOXRJLAF-LFIBNONCSA-N 0 0 391.539 4.209 50 10 GICARN Cc1ccc(C2=N/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000005023931 570424725 /nfs/dbraw/zinc/42/47/25/570424725.db2.gz YBPGKMGYVPEDFP-QGOAFFKASA-N 0 0 391.427 4.238 50 10 GICARN CCn1c(-c2ccc(C)cc2)cnc1SCc1nnnn1-c1ccccc1 ZINC000026676122 570427818 /nfs/dbraw/zinc/42/78/18/570427818.db2.gz NKNQEJXDWAJGQQ-UHFFFAOYSA-N 0 0 376.489 4.146 50 10 GICARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005094262 570428938 /nfs/dbraw/zinc/42/89/38/570428938.db2.gz CLIPLXITQIRMQX-FQEVSTJZSA-N 0 0 385.419 4.258 50 10 GICARN COc1ccc(N2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)cc1 ZINC000027662841 570438651 /nfs/dbraw/zinc/43/86/51/570438651.db2.gz AWZLUHHQWXBONK-UHFFFAOYSA-N 0 0 384.863 4.366 50 10 GICARN COc1ccc(C[C@H]2CC=CC[C@H](Cc3ccc(OC)cc3)C(=O)C2=O)cc1 ZINC000006457722 570480798 /nfs/dbraw/zinc/48/07/98/570480798.db2.gz LUXBRJJBQYITGY-WOJBJXKFSA-N 0 0 378.468 4.210 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000034807173 570544509 /nfs/dbraw/zinc/54/45/09/570544509.db2.gz VWCVHCGDJOZJNW-UMDJYDDXSA-N 0 0 397.891 4.387 50 10 GICARN Cc1cc(C=C2NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000009015589 570546781 /nfs/dbraw/zinc/54/67/81/570546781.db2.gz CLMPZQGQXVTLAW-DEDYPNTBSA-N 0 0 386.455 4.095 50 10 GICARN O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)N1CCOCC1 ZINC000006781984 570589656 /nfs/dbraw/zinc/58/96/56/570589656.db2.gz OEEWQHRXAOTNRE-UHFFFAOYSA-N 0 0 386.495 4.496 50 10 GICARN CCOc1ccc(NC(=O)N/C=C2/C(C)=NN(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000005511930 570618860 /nfs/dbraw/zinc/61/88/60/570618860.db2.gz JVRDCAMHRHWHPY-MOSHPQCFSA-N 0 0 392.459 4.130 50 10 GICARN CC1=CN2C(=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=N)S1 ZINC000005576514 570659445 /nfs/dbraw/zinc/65/94/45/570659445.db2.gz YEMYMIBPBJHWDQ-AKYNJECVSA-N 0 0 380.385 4.022 50 10 GICARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000005781537 570670355 /nfs/dbraw/zinc/67/03/55/570670355.db2.gz HFCFVQUVNXJRIY-BRFSQIRFSA-N 0 0 398.484 4.082 50 10 GICARN O=C(NCc1ccccc1O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000058244772 570722749 /nfs/dbraw/zinc/72/27/49/570722749.db2.gz QFURXOTZFFTTJX-UHFFFAOYSA-N 0 0 389.480 4.262 50 10 GICARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3O)C2)c1 ZINC000004393222 570729182 /nfs/dbraw/zinc/72/91/82/570729182.db2.gz BVMRIMXGIJZDTI-GOSISDBHSA-N 0 0 378.453 4.454 50 10 GICARN Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1cccc(F)c1 ZINC000006993384 570732247 /nfs/dbraw/zinc/73/22/47/570732247.db2.gz RXTWNSYUAVMERQ-UHFFFAOYSA-N 0 0 384.480 4.443 50 10 GICARN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3F)C2=O)cc1 ZINC000004676044 570822390 /nfs/dbraw/zinc/82/23/90/570822390.db2.gz MPUJMURFQJGJQC-FYJGNVAPSA-N 0 0 393.462 4.217 50 10 GICARN Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000007289631 570825353 /nfs/dbraw/zinc/82/53/53/570825353.db2.gz ZRNZMQYLCHZWDM-UHFFFAOYSA-N 0 0 397.456 4.058 50 10 GICARN CSc1cc2c(cc1NC(=O)c1cc(C)n(-c3ccccn3)c1C)OCCO2 ZINC000101526562 570826483 /nfs/dbraw/zinc/82/64/83/570826483.db2.gz SHNVPJFKCCBQRV-UHFFFAOYSA-N 0 0 395.484 4.235 50 10 GICARN CCN(CC)c1ccc(CN(C)C(=O)Cc2coc3cc(OC)ccc23)cc1 ZINC000012544185 570844432 /nfs/dbraw/zinc/84/44/32/570844432.db2.gz NKEYYXMQNJSYRL-UHFFFAOYSA-N 0 0 380.488 4.489 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1 ZINC000033217971 570844564 /nfs/dbraw/zinc/84/45/64/570844564.db2.gz MGAUFKDCBDPTFY-UHFFFAOYSA-N 0 0 377.419 4.370 50 10 GICARN Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)c1 ZINC000004536570 570847186 /nfs/dbraw/zinc/84/71/86/570847186.db2.gz WXARZUNSVDSMMU-FOWTUZBSSA-N 0 0 386.498 4.208 50 10 GICARN O=C(Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21)N1CCCCC1 ZINC000003646640 570880423 /nfs/dbraw/zinc/88/04/23/570880423.db2.gz UCGONRUNBQCPOU-XSFVSMFZSA-N 0 0 385.467 4.147 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000003859319 570885020 /nfs/dbraw/zinc/88/50/20/570885020.db2.gz GVMJLNGOMBZILO-FNGBSHHDSA-N 0 0 399.479 4.496 50 10 GICARN COc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1O ZINC000033286156 570954733 /nfs/dbraw/zinc/95/47/33/570954733.db2.gz UNNWFKSMSIWSEF-ZSOIEALJSA-N 0 0 377.874 4.460 50 10 GICARN COC(=O)c1ccc2c(c1)CCCN2Cc1c(O)ccc2ccc(OC)cc21 ZINC000083970362 570985810 /nfs/dbraw/zinc/98/58/10/570985810.db2.gz ZPVKUOOFJIPCMT-UHFFFAOYSA-N 0 0 377.440 4.293 50 10 GICARN COC(=O)c1cc2ccccc2c(CN2CCCc3cc(OC)ccc32)c1O ZINC000083970022 570985868 /nfs/dbraw/zinc/98/58/68/570985868.db2.gz PAGDUTTUHORBIO-UHFFFAOYSA-N 0 0 377.440 4.293 50 10 GICARN CCSC1=N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1 ZINC000004789699 570990461 /nfs/dbraw/zinc/99/04/61/570990461.db2.gz PKLKURDGTFHWDP-CAPFRKAQSA-N 0 0 393.512 4.020 50 10 GICARN Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000084064766 570993121 /nfs/dbraw/zinc/99/31/21/570993121.db2.gz CLNIGLPSAYHLMC-UHFFFAOYSA-N 0 0 375.494 4.315 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000002450979 817389728 /nfs/dbraw/zinc/38/97/28/817389728.db2.gz KWEQIWQZQWKFJW-TVJXHFOGSA-N 0 0 397.891 4.305 50 10 GICARN COc1ccc(N2CC[C@@H](CNC(=S)Nc3cccc(SC)c3)C2)cc1 ZINC000003050174 817415448 /nfs/dbraw/zinc/41/54/48/817415448.db2.gz JGZAQWXZHMDCAS-HNNXBMFYSA-N 0 0 387.574 4.230 50 10 GICARN Cc1cc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1 ZINC000003331830 817438445 /nfs/dbraw/zinc/43/84/45/817438445.db2.gz RQEYNBUHMATRBF-UHFFFAOYSA-N 0 0 396.874 4.221 50 10 GICARN COc1ccccc1C(=O)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1 ZINC000019855277 818606696 /nfs/dbraw/zinc/60/66/96/818606696.db2.gz UIAJSHSTKOWXNQ-UHFFFAOYSA-N 0 0 398.466 4.317 50 10 GICARN COC(=O)c1ccc([C@@H]2N=C(c3cccs3)C[C@H](c3ccccc3O)N2)cc1 ZINC000020763788 818630408 /nfs/dbraw/zinc/63/04/08/818630408.db2.gz WFBPUVKZXHRVHX-UTKZUKDTSA-N 0 0 392.480 4.463 50 10 GICARN O=C([O-])[C@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)[NH+]1CCCCC1 ZINC000101090829 231009684 /nfs/dbraw/zinc/00/96/84/231009684.db2.gz ARBNKZFKGXIRPO-OAFDPHIXSA-N 0 0 380.448 4.370 50 10 GICARN COc1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)SC2=S)c1 ZINC000001789845 212257546 /nfs/dbraw/zinc/25/75/46/212257546.db2.gz KJDCXYXTKHJNPI-MFOYZWKCSA-N 0 0 387.482 4.118 50 10 GICARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1O ZINC000001241510 212232863 /nfs/dbraw/zinc/23/28/63/212232863.db2.gz AJHZIFWQIDYHAK-LQFYYXEQSA-N 0 0 391.452 4.095 50 10 GICARN Cc1ccc(NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 ZINC000001228577 212231068 /nfs/dbraw/zinc/23/10/68/212231068.db2.gz LGKBJEDHJIPKLY-QJOMJCCJSA-N 0 0 399.494 4.471 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 ZINC000001229693 212230452 /nfs/dbraw/zinc/23/04/52/212230452.db2.gz ADMGCTAFNJWVQW-BOPFTXTBSA-N 0 0 387.482 4.205 50 10 GICARN COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000001207539 212229268 /nfs/dbraw/zinc/22/92/68/212229268.db2.gz OLDNJBZQZBHBMS-BOPFTXTBSA-N 0 0 383.494 4.496 50 10 GICARN COc1ccc(OC)c(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c1 ZINC000001149757 212223055 /nfs/dbraw/zinc/22/30/55/212223055.db2.gz MBCQCDFOFJGYQN-ATVHPVEESA-N 0 0 377.531 4.485 50 10 GICARN CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S1 ZINC000001121997 212220190 /nfs/dbraw/zinc/22/01/90/212220190.db2.gz YYOSLYNLDCAARF-YVLHZVERSA-N 0 0 386.860 4.025 50 10 GICARN O=C1OC2(CCCCC2)OC(=O)C1=CNc1cc(C(F)(F)F)ccc1Cl ZINC000001094979 212216457 /nfs/dbraw/zinc/21/64/57/212216457.db2.gz RZFBZBIVYKMKAE-UHFFFAOYSA-N 0 0 389.757 4.415 50 10 GICARN O=C(CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)N1CCCCC1 ZINC000001065886 212212089 /nfs/dbraw/zinc/21/20/89/212212089.db2.gz YJXALZFZFCCKSX-UHFFFAOYSA-N 0 0 381.859 4.060 50 10 GICARN CCOC(=O)c1sc2nc(C)c(C(C)=O)c(-c3ccc(OC)cc3)c2c1N ZINC000000667769 212171491 /nfs/dbraw/zinc/17/14/91/212171491.db2.gz WUXKACDSUFYGLQ-UHFFFAOYSA-N 0 0 384.457 4.242 50 10 GICARN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc21 ZINC000000639282 212168555 /nfs/dbraw/zinc/16/85/55/212168555.db2.gz NADSLLVKHOWBLG-CQSZACIVSA-N 0 0 389.455 4.416 50 10 GICARN COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)cc1OC ZINC000020411602 212150944 /nfs/dbraw/zinc/15/09/44/212150944.db2.gz PSAMQSVEDFSMQJ-UHFFFAOYSA-N 0 0 395.455 4.169 50 10 GICARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)OC(C)C)ccc23)cc1 ZINC000001155865 212144931 /nfs/dbraw/zinc/14/49/31/212144931.db2.gz XJVVCGHINNUCIR-UHFFFAOYSA-N 0 0 382.412 4.107 50 10 GICARN COc1ccc(OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000003447500 533005933 /nfs/dbraw/zinc/00/59/33/533005933.db2.gz TVNQHEKSDPYUOQ-UHFFFAOYSA-N 0 0 380.400 4.273 50 10 GICARN Cc1ccc(-c2ccc(C=C3C(=O)OC(C)(C(C)(C)C)OC3=O)o2)cc1[N+](=O)[O-] ZINC000001406867 220495016 /nfs/dbraw/zinc/49/50/16/220495016.db2.gz AWGDBXKABMJNBG-UHFFFAOYSA-N 0 0 399.399 4.409 50 10 GICARN COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S ZINC000002976043 220591093 /nfs/dbraw/zinc/59/10/93/220591093.db2.gz XAHYGXUUKWPIBE-UYRXBGFRSA-N 0 0 399.537 4.422 50 10 GICARN O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccccc1Cl ZINC000004514367 220724755 /nfs/dbraw/zinc/72/47/55/220724755.db2.gz QQGGVFYNPGQFKE-XSFVSMFZSA-N 0 0 395.890 4.423 50 10 GICARN COCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000005051545 220820896 /nfs/dbraw/zinc/82/08/96/220820896.db2.gz ZDONDGOHJWCTTG-XNTDXEJSSA-N 0 0 379.890 4.448 50 10 GICARN O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1cccc(Cl)c1 ZINC000005478069 220874945 /nfs/dbraw/zinc/87/49/45/220874945.db2.gz ZRHJVXTZVLWSAU-NTOUICHMSA-N 0 0 390.873 4.035 50 10 GICARN CCN1c2ccccc2/C(=C2/SC(=S)N(c3cccc(C)c3C)C2=O)C1=O ZINC000005509845 220878100 /nfs/dbraw/zinc/87/81/00/220878100.db2.gz FTSBRSUWFSXFPU-ZCXUNETKSA-N 0 0 394.521 4.446 50 10 GICARN CCOC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 ZINC000006318973 220929084 /nfs/dbraw/zinc/92/90/84/220929084.db2.gz SJVKKBZDWMLBRX-DEDYPNTBSA-N 0 0 387.439 4.011 50 10 GICARN COc1ccc(Br)cc1C=C1SC(NC2CCCCC2)=NC1=O ZINC000006579337 220943268 /nfs/dbraw/zinc/94/32/68/220943268.db2.gz WKCKTDHMQIMZHQ-GDNBJRDFSA-N 0 0 395.322 4.350 50 10 GICARN CO[C@H](C(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O)c1ccccc1 ZINC000009419290 221080639 /nfs/dbraw/zinc/08/06/39/221080639.db2.gz VQSQHUGMJKHABK-GGAORHGYSA-N 0 0 386.451 4.458 50 10 GICARN Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000010888395 221108850 /nfs/dbraw/zinc/10/88/50/221108850.db2.gz JCUPDVMJYCWAHY-VWLOTQADSA-N 0 0 399.494 4.344 50 10 GICARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000010906854 221108861 /nfs/dbraw/zinc/10/88/61/221108861.db2.gz BIGSIYOLHSZZBH-UHFFFAOYSA-N 0 0 379.287 4.102 50 10 GICARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccc(F)cc1 ZINC000009836091 221092909 /nfs/dbraw/zinc/09/29/09/221092909.db2.gz OVXHGDLBBWIUEU-UHFFFAOYSA-N 0 0 384.480 4.214 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC)cc1 ZINC000012411671 221189891 /nfs/dbraw/zinc/18/98/91/221189891.db2.gz IZCWVICLDQTZNW-HKWRFOASSA-N 0 0 377.440 4.353 50 10 GICARN Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000012686053 221218427 /nfs/dbraw/zinc/21/84/27/221218427.db2.gz IIDSVRMPXVCXNG-BOPFTXTBSA-N 0 0 377.494 4.337 50 10 GICARN COc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1OC ZINC000013714717 221283528 /nfs/dbraw/zinc/28/35/28/221283528.db2.gz XWHKTTTWAJEHMO-GDNBJRDFSA-N 0 0 375.446 4.249 50 10 GICARN COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000015008335 221326243 /nfs/dbraw/zinc/32/62/43/221326243.db2.gz IBXNLQKWCQRVLQ-GZTJUZNOSA-N 0 0 383.494 4.496 50 10 GICARN Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(O)c1O ZINC000015016245 221326340 /nfs/dbraw/zinc/32/63/40/221326340.db2.gz YDGZZKGWZWGXJA-VBKZILBWSA-N 0 0 380.425 4.107 50 10 GICARN COc1cc(Br)cc(/C=C2\SC(c3ccccc3)=NC2=O)c1O ZINC000015015698 221326531 /nfs/dbraw/zinc/32/65/31/221326531.db2.gz DNZIKCRHBOAVMH-ZSOIEALJSA-N 0 0 390.258 4.224 50 10 GICARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)c(C)n1-c1ccccc1 ZINC000015811863 221345348 /nfs/dbraw/zinc/34/53/48/221345348.db2.gz IVMDJXJCCBPJIQ-OAHLLOKOSA-N 0 0 397.862 4.327 50 10 GICARN COc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)c(OC)c1 ZINC000016676204 221367740 /nfs/dbraw/zinc/36/77/40/221367740.db2.gz JGTHYMFIQBUFAQ-ZROIWOOFSA-N 0 0 387.229 4.448 50 10 GICARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000017083553 221379237 /nfs/dbraw/zinc/37/92/37/221379237.db2.gz HSCXIOBLWYERFL-AYVTZFPOSA-N 0 0 393.306 4.195 50 10 GICARN CC[C@H](C)NC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000018146134 221389253 /nfs/dbraw/zinc/38/92/53/221389253.db2.gz LMDXQDDBBRAMFE-CVZWZAMJSA-N 0 0 382.411 4.223 50 10 GICARN Cc1ccc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)o1 ZINC000030735470 221702918 /nfs/dbraw/zinc/70/29/18/221702918.db2.gz JSOXXPPLEZKRDS-PYDVBCTCSA-N 0 0 382.470 4.098 50 10 GICARN Cc1cc(C(=O)Nc2cc(C(N)=O)cc(F)c2C)c(C)n1-c1ccccc1F ZINC000043270207 221948520 /nfs/dbraw/zinc/94/85/20/221948520.db2.gz ZBWGRUUFMGNBLT-UHFFFAOYSA-N 0 0 383.398 4.032 50 10 GICARN COc1ccc2nc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)ccc2c1 ZINC000054360773 222012944 /nfs/dbraw/zinc/01/29/44/222012944.db2.gz USGZEWBZSCBDEU-WQRHYEAKSA-N 0 0 394.477 4.355 50 10 GICARN Cc1cc(C(=O)NCc2nc(C3CC3)no2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000062580476 222066057 /nfs/dbraw/zinc/06/60/57/222066057.db2.gz NBYUFJCMKUCANR-UHFFFAOYSA-N 0 0 378.476 4.408 50 10 GICARN CCn1ccc2ccc(-c3c(-c4ccccc4)ncn3C[C@@H](O)COC)cc21 ZINC000065370589 222126486 /nfs/dbraw/zinc/12/64/86/222126486.db2.gz RNNWSFYKGQDQEO-HXUWFJFHSA-N 0 0 375.472 4.199 50 10 GICARN CCOc1c(Cl)cc(C=C2SC(NC3CCCC3)=NC2=O)cc1OC ZINC000096121212 222383716 /nfs/dbraw/zinc/38/37/16/222383716.db2.gz FXJRPAYYBRTHLP-XNTDXEJSSA-N 0 0 380.897 4.250 50 10 GICARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004059291 526685459 /nfs/dbraw/zinc/68/54/59/526685459.db2.gz PTWYLKQSAMSGMN-LJQANCHMSA-N 0 0 386.293 4.213 50 10 GICARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc21 ZINC000019885028 570227676 /nfs/dbraw/zinc/22/76/76/570227676.db2.gz NKUYCEZLNMRXCW-UHFFFAOYSA-N 0 0 379.334 4.371 50 10 GICARN O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(C[NH2+]C[C@@H]3CCCO3)c2o1 ZINC000020646706 570273993 /nfs/dbraw/zinc/27/39/93/570273993.db2.gz PZJQTHHXYKTVFT-AWEZNQCLSA-N 0 0 385.847 4.088 50 10 GICARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000102988898 570293677 /nfs/dbraw/zinc/29/36/77/570293677.db2.gz SIZWDJIHABLBSP-JUXOCIIHSA-N 0 0 376.481 4.314 50 10 in-vitro GICARN Cc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c(C)n1-c1ccccc1 ZINC000004835388 570310260 /nfs/dbraw/zinc/31/02/60/570310260.db2.gz HKXZUBAGQBSWRY-UHFFFAOYSA-N 0 0 384.382 4.168 50 10 GICARN COc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000022109253 570325894 /nfs/dbraw/zinc/32/58/94/570325894.db2.gz JACQCXFZZZQGAS-RCCKNPSSSA-N 0 0 399.406 4.438 50 10 GICARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000004043733 570355624 /nfs/dbraw/zinc/35/56/24/570355624.db2.gz QYXMYCPYSZBLQY-UHFFFAOYSA-N 0 0 388.379 4.221 50 10 GICARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1ccc(N(C)C)cc1 ZINC000004168132 570360856 /nfs/dbraw/zinc/36/08/56/570360856.db2.gz XRAJTVPUBDCKED-NFBKMPQASA-N 0 0 377.488 4.021 50 10 GICARN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 ZINC000004482839 570377694 /nfs/dbraw/zinc/37/76/94/570377694.db2.gz UZRBFQJSYJIMLY-LFIBNONCSA-N 0 0 387.457 4.408 50 10 GICARN O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccc2ccccc21 ZINC000004570557 570385335 /nfs/dbraw/zinc/38/53/35/570385335.db2.gz DLFPXSBQCNEPMS-GOSISDBHSA-N 0 0 376.437 4.437 50 10 GICARN O=C(c1cccs1)c1c(C(F)(F)F)oc2c1C(=O)c1ccccc1C2=O ZINC000005776381 570386137 /nfs/dbraw/zinc/38/61/37/570386137.db2.gz HBMBYBOLJWZLRU-UHFFFAOYSA-N 0 0 376.311 4.366 50 10 GICARN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1c(F)cccc1Cl ZINC000100558672 570392740 /nfs/dbraw/zinc/39/27/40/570392740.db2.gz QLMVAGHENYXVQM-UVTDQMKNSA-N 0 0 389.770 4.168 50 10 GICARN CCc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000027515603 570435205 /nfs/dbraw/zinc/43/52/05/570435205.db2.gz JCMYDASRZYZTPY-LTGZKZEYSA-N 0 0 391.540 4.037 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 ZINC000100720870 570435691 /nfs/dbraw/zinc/43/56/91/570435691.db2.gz KKWKVPDMRCQTAO-UDWIEESQSA-N 0 0 384.391 4.423 50 10 GICARN O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O ZINC000027834304 570444328 /nfs/dbraw/zinc/44/43/28/570444328.db2.gz CAIURDQEOIMIME-FQEVSTJZSA-N 0 0 387.395 4.292 50 10 GICARN C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000028288294 570454685 /nfs/dbraw/zinc/45/46/85/570454685.db2.gz VEPZZASHXXLMOG-QGZVFWFLSA-N 0 0 393.462 4.287 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=N)S1 ZINC000005180395 570495600 /nfs/dbraw/zinc/49/56/00/570495600.db2.gz KGCWYPHPNUFPHA-JTKJEDPUSA-N 0 0 391.500 4.432 50 10 GICARN COc1ccccc1/C=C1\SC(=S)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000002702076 570505697 /nfs/dbraw/zinc/50/56/97/570505697.db2.gz SZWKCJRGFMHCJU-BOPFTXTBSA-N 0 0 384.482 4.059 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C2=N)S1 ZINC000032964073 570547338 /nfs/dbraw/zinc/54/73/38/570547338.db2.gz PVMWAMRIDPIZDK-PHMXDFFTSA-N 0 0 377.473 4.123 50 10 GICARN Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 ZINC000032964368 570547608 /nfs/dbraw/zinc/54/76/08/570547608.db2.gz LFLAWWCWAWCTAM-SUIAZJLOSA-N 0 0 377.473 4.061 50 10 GICARN CCOc1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000032969722 570554976 /nfs/dbraw/zinc/55/49/76/570554976.db2.gz RSRNGSJFUSEQIN-DHDCSXOGSA-N 0 0 390.442 4.085 50 10 GICARN CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005376026 570569327 /nfs/dbraw/zinc/56/93/27/570569327.db2.gz PLQISDXXCMTSGX-UESPBHMZSA-N 0 0 394.587 4.131 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000005486876 570613797 /nfs/dbraw/zinc/61/37/97/570613797.db2.gz XHUHZEJKAMBENK-YNQUSLBMSA-N 0 0 391.500 4.350 50 10 GICARN CSc1ccc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1 ZINC000004600393 570633615 /nfs/dbraw/zinc/63/36/15/570633615.db2.gz HOODNYCKBIYCFN-SUIAZJLOSA-N 0 0 392.509 4.384 50 10 GICARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)N1CCCCC1 ZINC000005595073 570666004 /nfs/dbraw/zinc/66/60/04/570666004.db2.gz FTHFCWHIDCRQGX-UHFFFAOYSA-N 0 0 381.501 4.296 50 10 GICARN O=C1NC(=S)S/C1=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000012540203 570678634 /nfs/dbraw/zinc/67/86/34/570678634.db2.gz IOQXKEUHRAJUEP-ZSOIEALJSA-N 0 0 376.390 4.015 50 10 GICARN COc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 ZINC000000882964 570704395 /nfs/dbraw/zinc/70/43/95/570704395.db2.gz QYWTZJSMNORGMR-UHFFFAOYSA-N 0 0 393.424 4.375 50 10 GICARN N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000005872037 570799880 /nfs/dbraw/zinc/79/98/80/570799880.db2.gz QNLZQJSRTLHSHL-JTKJEDPUSA-N 0 0 385.452 4.030 50 10 GICARN Cc1ccc(C2=N/C(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1C ZINC000005691996 570813090 /nfs/dbraw/zinc/81/30/90/570813090.db2.gz SZXUKNXVHQXUOP-PDGQHHTCSA-N 0 0 391.427 4.156 50 10 GICARN Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000101113946 570814134 /nfs/dbraw/zinc/81/41/34/570814134.db2.gz JXCIVTRAPVPARZ-NTEUORMPSA-N 0 0 391.656 4.216 50 10 GICARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCCc1ccccc1 ZINC000007423354 570840710 /nfs/dbraw/zinc/84/07/10/570840710.db2.gz ZEMOVXHDZYDJEJ-UHFFFAOYSA-N 0 0 385.920 4.192 50 10 GICARN CCOc1ccccc1NC(=O)CSc1ncc(-c2ccc(OC)cc2)n1C ZINC000007423552 570840879 /nfs/dbraw/zinc/84/08/79/570840879.db2.gz AGLQSIOLIJYGDP-UHFFFAOYSA-N 0 0 397.500 4.225 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 ZINC000007423756 570841355 /nfs/dbraw/zinc/84/13/55/570841355.db2.gz OSQMBYMJABGMDJ-UHFFFAOYSA-N 0 0 387.892 4.480 50 10 GICARN COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000102907456 570871299 /nfs/dbraw/zinc/87/12/99/570871299.db2.gz NFYACXHBDUDVSM-XXBNENTESA-N 0 0 387.439 4.347 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000004551728 570871686 /nfs/dbraw/zinc/87/16/86/570871686.db2.gz ABGLUVHOCIZBCZ-YVLHZVERSA-N 0 0 383.831 4.231 50 10 GICARN Cc1cc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000170624984 570880976 /nfs/dbraw/zinc/88/09/76/570880976.db2.gz NGFUTOHDVQVDNF-HFJQGTKSSA-N 0 0 389.499 4.480 50 10 GICARN Cc1cccc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 ZINC000004575819 570896870 /nfs/dbraw/zinc/89/68/70/570896870.db2.gz FRAGDYUMLNXVNG-AQTBWJFISA-N 0 0 385.510 4.284 50 10 GICARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)SC1=S ZINC000003183196 817420407 /nfs/dbraw/zinc/42/04/07/817420407.db2.gz OWLXUUSMUBQIGP-BOPFTXTBSA-N 0 0 392.509 4.155 50 10 GICARN Cc1cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c(C)n1-c1ccccc1 ZINC000003410277 817450719 /nfs/dbraw/zinc/45/07/19/817450719.db2.gz KYXCWPQKBSZUCV-UHFFFAOYSA-N 0 0 391.862 4.284 50 10 aggregator GICARN Cc1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)c(O)c1 ZINC000019320786 818590853 /nfs/dbraw/zinc/59/08/53/818590853.db2.gz OKHNSQWEOHCIGQ-UHFFFAOYSA-N 0 0 390.483 4.128 50 10 GICARN COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1[N+](=O)[O-] ZINC000022108721 818773053 /nfs/dbraw/zinc/77/30/53/818773053.db2.gz VHUFJRDTTLCZBX-NVNXTCNLSA-N 0 0 385.807 4.371 50 10 GICARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C\c3ccc(N(C)C)cc3)NC(=O)CCN21 ZINC000038194001 821094501 /nfs/dbraw/zinc/09/45/01/821094501.db2.gz UXNSSCNZYKLMHJ-JYAZYPBOSA-N 0 0 375.516 4.088 50 10 GICARN Oc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 ZINC000010215464 212238895 /nfs/dbraw/zinc/23/88/95/212238895.db2.gz LJOPNTQDYQLILI-WIYYLYMNSA-N 0 0 393.830 4.389 50 10 GICARN CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215888 212238872 /nfs/dbraw/zinc/23/88/72/212238872.db2.gz PQCBAEKHVSITLM-AUSIDOKSSA-N 0 0 387.439 4.428 50 10 GICARN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001417244 212243206 /nfs/dbraw/zinc/24/32/06/212243206.db2.gz SZRGABQTYFYSOU-VIZOYTHASA-N 0 0 375.858 4.475 50 10 GICARN COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000001205416 212228055 /nfs/dbraw/zinc/22/80/55/212228055.db2.gz XQKHVENFBUOACR-RCCKNPSSSA-N 0 0 399.406 4.438 50 10 GICARN CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O1 ZINC000001185285 212226918 /nfs/dbraw/zinc/22/69/18/212226918.db2.gz LCERMEIBFKOZPF-UHFFFAOYSA-N 0 0 385.372 4.101 50 10 GICARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1OC ZINC000001191988 212226595 /nfs/dbraw/zinc/22/65/95/212226595.db2.gz YLFLOGBTYQPLNN-UYRXBGFRSA-N 0 0 399.537 4.456 50 10 GICARN O=C1/C(=C/c2ccc(OC(F)F)cc2)SC(=S)N1Cc1cccnc1 ZINC000001158983 212224249 /nfs/dbraw/zinc/22/42/49/212224249.db2.gz JEBJEYXNKRTASK-ZSOIEALJSA-N 0 0 378.425 4.084 50 10 GICARN COc1ccc(N2CCN(C(=O)CCSc3ccc(Cl)cc3)CC2)cc1 ZINC000001151342 212222817 /nfs/dbraw/zinc/22/28/17/212222817.db2.gz ISZCLQFXVOLHDH-UHFFFAOYSA-N 0 0 390.936 4.180 50 10 GICARN Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O ZINC000001126804 212219815 /nfs/dbraw/zinc/21/98/15/212219815.db2.gz OSNVXWWJUCRCQR-XSFVSMFZSA-N 0 0 394.496 4.068 50 10 GICARN CC(=O)Oc1ccccc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O ZINC000001092468 212216545 /nfs/dbraw/zinc/21/65/45/212216545.db2.gz WNGLQIZGHDUQPT-XNTDXEJSSA-N 0 0 385.213 4.356 50 10 GICARN CCOC(=O)Cc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001071187 212213637 /nfs/dbraw/zinc/21/36/37/212213637.db2.gz QFGGSZAYIRJDAQ-UHFFFAOYSA-N 0 0 399.446 4.179 50 10 GICARN Cc1cc(O)c(Cl)c(C)c1NS(=O)(=O)c1ccc(Br)cc1 ZINC000001062879 212213018 /nfs/dbraw/zinc/21/30/18/212213018.db2.gz LPSGNTZMWNZQIS-UHFFFAOYSA-N 0 0 390.686 4.226 50 10 GICARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000836474 212186851 /nfs/dbraw/zinc/18/68/51/212186851.db2.gz KWSXAQPNOODHNO-SFQUDFHCSA-N 0 0 383.429 4.311 50 10 GICARN COc1ccc(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)c(OC)c1OC ZINC000096663396 212156072 /nfs/dbraw/zinc/15/60/72/212156072.db2.gz RPWHEEUUNOFABA-GZTJUZNOSA-N 0 0 398.484 4.412 50 10 GICARN CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000227486592 212116005 /nfs/dbraw/zinc/11/60/05/212116005.db2.gz DSUXZMFAJHEAQV-CVDCTZTESA-N 0 0 387.439 4.428 50 10 GICARN Cc1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003372993 220636686 /nfs/dbraw/zinc/63/66/86/220636686.db2.gz ILKHGRIDFBOTDY-MEDUHNTESA-N 0 0 377.387 4.077 50 10 GICARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 ZINC000004982486 220804388 /nfs/dbraw/zinc/80/43/88/220804388.db2.gz HKLWBQXDUWLMNH-CVDCTZTESA-N 0 0 377.488 4.021 50 10 GICARN COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCCC2)c1 ZINC000006721834 220953331 /nfs/dbraw/zinc/95/33/31/220953331.db2.gz GCDHNEDQCZPQBX-GOSISDBHSA-N 0 0 380.444 4.223 50 10 GICARN COc1ccc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)cc1 ZINC000006787770 220961054 /nfs/dbraw/zinc/96/10/54/220961054.db2.gz PDBUMQGRSRHSQF-UHFFFAOYSA-N 0 0 388.467 4.450 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 ZINC000008656759 221048534 /nfs/dbraw/zinc/04/85/34/221048534.db2.gz JZVYLMUZMBGIOP-ZROIWOOFSA-N 0 0 386.205 4.163 50 10 GICARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=C1SC(=S)NC1=O ZINC000009515362 221084513 /nfs/dbraw/zinc/08/45/13/221084513.db2.gz UBJUXPNWAYGVPL-SDQBBNPISA-N 0 0 384.313 4.035 50 10 GICARN CC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000010191661 221098050 /nfs/dbraw/zinc/09/80/50/221098050.db2.gz WLCMISORQYHJQF-UHFFFAOYSA-N 0 0 390.439 4.092 50 10 GICARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccc(C)cc1 ZINC000010211851 221098901 /nfs/dbraw/zinc/09/89/01/221098901.db2.gz AEQPSCYTRVSVJO-UHFFFAOYSA-N 0 0 390.270 4.149 50 10 GICARN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccccc1 ZINC000013590075 221275572 /nfs/dbraw/zinc/27/55/72/221275572.db2.gz ZUVVSJROYVZGTF-FOWTUZBSSA-N 0 0 386.473 4.056 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1sccc1C ZINC000013402105 221267950 /nfs/dbraw/zinc/26/79/50/221267950.db2.gz PKIPQJKMCWEDTJ-ATVHPVEESA-N 0 0 383.469 4.332 50 10 GICARN COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000013547593 221271071 /nfs/dbraw/zinc/27/10/71/221271071.db2.gz QDGKBZZBDCSTND-YVLHZVERSA-N 0 0 387.482 4.118 50 10 GICARN COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)c2c1 ZINC000013570774 221274024 /nfs/dbraw/zinc/27/40/24/221274024.db2.gz DXTBZQLGYZCRRL-CAOOACKPSA-N 0 0 382.466 4.288 50 10 GICARN COc1ccc(N2CCN(c3ncnc4c3[nH]c3cccc(C)c34)C[C@@H]2C)cc1 ZINC000013758564 221287813 /nfs/dbraw/zinc/28/78/13/221287813.db2.gz OXXRKQDODAAULS-INIZCTEOSA-N 0 0 387.487 4.143 50 10 GICARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1 ZINC000013715204 221283151 /nfs/dbraw/zinc/28/31/51/221283151.db2.gz HLOJATBPQCIBJA-YBEGLDIGSA-N 0 0 375.446 4.249 50 10 GICARN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000015837392 221346759 /nfs/dbraw/zinc/34/67/59/221346759.db2.gz SOSZBLSAQGKWRC-PDGQHHTCSA-N 0 0 385.510 4.495 50 10 GICARN COc1ccc(OC)c(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)c1 ZINC000016676069 221368530 /nfs/dbraw/zinc/36/85/30/221368530.db2.gz NHDDUGIJGKGJAB-ZROIWOOFSA-N 0 0 387.229 4.448 50 10 GICARN Cc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000016666495 221368542 /nfs/dbraw/zinc/36/85/42/221368542.db2.gz FSQAWWSKPXVECP-AQTBWJFISA-N 0 0 385.510 4.284 50 10 GICARN C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)ccc2O1 ZINC000016810419 221372620 /nfs/dbraw/zinc/37/26/20/221372620.db2.gz VPEHQDFEVBNRNX-RMENWYJGSA-N 0 0 381.522 4.454 50 10 GICARN N=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1Cl ZINC000005804489 136195004 /nfs/dbraw/zinc/19/50/04/136195004.db2.gz FEDXEHFNCYRBKK-RAYXNOPOSA-N 0 0 399.903 4.232 50 10 GICARN COc1ccc2c(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)c[nH]c2c1 ZINC000051330766 222004721 /nfs/dbraw/zinc/00/47/21/222004721.db2.gz KKKKRWVKEYPHEE-IDUWFGFVSA-N 0 0 382.466 4.288 50 10 GICARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(N(C)C)cc2)cc1Cl ZINC000072329349 222228738 /nfs/dbraw/zinc/22/87/38/222228738.db2.gz NMTOOCWNNZQFFB-UHFFFAOYSA-N 0 0 398.894 4.125 50 10 GICARN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000096012621 222371051 /nfs/dbraw/zinc/37/10/51/222371051.db2.gz GKTNQRDAKPZZDD-LLVKDONJSA-N 0 0 387.436 4.113 50 10 GICARN CC(NCCc1c[nH]c2ccccc12)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000100422891 222460217 /nfs/dbraw/zinc/46/02/17/222460217.db2.gz WUJNQPKBSMZQTL-STZFKDTASA-N 0 0 376.435 4.136 50 10 GICARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 ZINC000006781019 528499964 /nfs/dbraw/zinc/49/99/64/528499964.db2.gz ORBVBCDIAFDFTL-UHFFFAOYSA-N 0 0 380.419 4.453 50 10 GICARN O=C(CCNc1ncccn1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048360810 570243018 /nfs/dbraw/zinc/24/30/18/570243018.db2.gz ZFDSNTXAKGYORK-HSZRJFAPSA-N 0 0 398.466 4.043 50 10 GICARN Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100371535 570271449 /nfs/dbraw/zinc/27/14/49/570271449.db2.gz PYVRTTHQRUCCBV-GXDHUFHOSA-N 0 0 383.389 4.022 50 10 GICARN CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)cc1 ZINC000100823356 570278206 /nfs/dbraw/zinc/27/82/06/570278206.db2.gz MIQFSSRDWKQRJJ-GOSISDBHSA-N 0 0 396.292 4.163 50 10 GICARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 ZINC000002300018 570281616 /nfs/dbraw/zinc/28/16/16/570281616.db2.gz XZLFCYMYFAIGIS-GDNBJRDFSA-N 0 0 388.901 4.195 50 10 GICARN COc1ccc(C[C@@H]2CC=CC[C@@H](Cc3ccc(OC)cc3)C(=O)C2=O)cc1 ZINC000002518986 570289637 /nfs/dbraw/zinc/28/96/37/570289637.db2.gz LUXBRJJBQYITGY-PMACEKPBSA-N 0 0 378.468 4.210 50 10 GICARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3c[nH]c4ccccc34)C(=N)N12 ZINC000004825886 570294396 /nfs/dbraw/zinc/29/43/96/570294396.db2.gz QZKDRWCBAMLJDA-GVMLJBEOSA-N 0 0 383.502 4.134 50 10 GICARN CCOC(=O)Cc1cc2c(n1-c1ccc(OC(F)(F)F)cc1)C[C@H](C)CC2=O ZINC000003135544 570330386 /nfs/dbraw/zinc/33/03/86/570330386.db2.gz FSRKABDFQQBHNA-LBPRGKRZSA-N 0 0 395.377 4.247 50 10 GICARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000116231746 570344448 /nfs/dbraw/zinc/34/44/48/570344448.db2.gz SIZWDJIHABLBSP-SFGWALBWSA-N 0 0 376.481 4.314 50 10 in-vitro GICARN O=c1oc2c(ccc([O-])c2C[NH+]2CCCC2)cc1-c1nc2ccccc2s1 ZINC000004144065 570359506 /nfs/dbraw/zinc/35/95/06/570359506.db2.gz HZEKOSIRUTVOOR-UHFFFAOYSA-N 0 0 378.453 4.371 50 10 GICARN COc1ccccc1CNC(C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000100422678 570360028 /nfs/dbraw/zinc/36/00/28/570360028.db2.gz XZCXPLFRXBZNDL-UYRXBGFRSA-N 0 0 392.484 4.091 50 10 GICARN CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000004181449 570361543 /nfs/dbraw/zinc/36/15/43/570361543.db2.gz LNPIJUNSUYZJRA-UHFFFAOYSA-N 0 0 399.512 4.053 50 10 GICARN Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc32)c(C)n1-c1ccc(C)cc1 ZINC000006315195 570376847 /nfs/dbraw/zinc/37/68/47/570376847.db2.gz NWWBJSNZGDYCGJ-UHFFFAOYSA-N 0 0 387.439 4.319 50 10 GICARN CCOc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1 ZINC000004942491 570377555 /nfs/dbraw/zinc/37/75/55/570377555.db2.gz IIUKCIZGGKGRKG-IBGZPJMESA-N 0 0 376.412 4.375 50 10 GICARN CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)c1 ZINC000004482842 570377727 /nfs/dbraw/zinc/37/77/27/570377727.db2.gz FZNZSCDDZWPXHI-LFIBNONCSA-N 0 0 387.457 4.408 50 10 GICARN Cc1c2ccccc2sc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000024499702 570384728 /nfs/dbraw/zinc/38/47/28/570384728.db2.gz KBYIHRQOYVOGRL-UHFFFAOYSA-N 0 0 380.513 4.319 50 10 GICARN C[C@@H]1CC(=O)N[C@@]2(/C=C/c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C ZINC000004621073 570388407 /nfs/dbraw/zinc/38/84/07/570388407.db2.gz QDLUIPKHEOLEDQ-GFLSLHFZSA-N 0 0 375.516 4.168 50 10 GICARN COc1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)c(OC)cc1C=O ZINC000005022845 570424605 /nfs/dbraw/zinc/42/46/05/570424605.db2.gz XVFQNIZELXPORR-UHFFFAOYSA-N 0 0 387.391 4.035 50 10 GICARN COc1ccc(N2CC[NH+](CC[C@H](O)c3ccc4ccccc4c3)CC2)cc1 ZINC000006296239 570476131 /nfs/dbraw/zinc/47/61/31/570476131.db2.gz YLTRVLLAUCLYTN-DEOSSOPVSA-N 0 0 376.500 4.094 50 10 GICARN O=C1c2ccccc2-c2onc3c2c1c(NCCO)cc3Oc1ccc(F)cc1 ZINC000006661923 570486745 /nfs/dbraw/zinc/48/67/45/570486745.db2.gz DWVJRPDTNJGBSW-UHFFFAOYSA-N 0 0 390.370 4.375 50 10 GICARN Cc1cc(C)cc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 ZINC000006130536 570547221 /nfs/dbraw/zinc/54/72/21/570547221.db2.gz LGAAVKRUSMGWII-GZTJUZNOSA-N 0 0 382.510 4.143 50 10 GICARN CN(C)c1ccc([C@@H]2OC(=O)c3ccccc3N2C(=O)c2cccs2)cc1 ZINC000005328735 570554758 /nfs/dbraw/zinc/55/47/58/570554758.db2.gz LWPIDKUDZCYCTE-FQEVSTJZSA-N 0 0 378.453 4.330 50 10 GICARN CCN(C(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccccc1 ZINC000003383783 570606360 /nfs/dbraw/zinc/60/63/60/570606360.db2.gz KHWYEEIVKYYYIL-UHFFFAOYSA-N 0 0 376.456 4.304 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000005484682 570612437 /nfs/dbraw/zinc/61/24/37/570612437.db2.gz XSKQNLJUGNKUHT-QLDZPZBVSA-N 0 0 391.500 4.350 50 10 GICARN O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1ccccc1 ZINC000005524062 570624235 /nfs/dbraw/zinc/62/42/35/570624235.db2.gz MQOZYIXXGSYWKN-QGOAFFKASA-N 0 0 390.489 4.386 50 10 GICARN COc1cccc(-n2c(C)cc(C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 ZINC000036397997 570682458 /nfs/dbraw/zinc/68/24/58/570682458.db2.gz PFIQVJXRSSDTJV-UHFFFAOYSA-N 0 0 389.499 4.065 50 10 GICARN Oc1ccc(Br)cc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000055292387 570690766 /nfs/dbraw/zinc/69/07/66/570690766.db2.gz YSBVGGQVFFASJR-UHFFFAOYSA-N 0 0 381.701 4.130 50 10 GICARN CCOC(=O)COc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000005796161 570691097 /nfs/dbraw/zinc/69/10/97/570691097.db2.gz PYOSJEHUHMREOP-PDGQHHTCSA-N 0 0 398.846 4.088 50 10 GICARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000013647240 570766385 /nfs/dbraw/zinc/76/63/85/570766385.db2.gz KNWVSKZHYNJWKX-BOPFTXTBSA-N 0 0 387.482 4.205 50 10 GICARN CC(=O)Nc1ccc(NC=C2SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000101489698 570825089 /nfs/dbraw/zinc/82/50/89/570825089.db2.gz HFZRKCKXUYLQHW-QGOAFFKASA-N 0 0 397.525 4.001 50 10 GICARN CSCc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)o1 ZINC000012539713 570838649 /nfs/dbraw/zinc/83/86/49/570838649.db2.gz FQSBLESTSFRZBC-UHFFFAOYSA-N 0 0 391.493 4.454 50 10 GICARN Cc1ccc(CNC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000007423434 570840653 /nfs/dbraw/zinc/84/06/53/570840653.db2.gz FBVIFWWEBOBXPE-UHFFFAOYSA-N 0 0 385.920 4.457 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000004699130 570843371 /nfs/dbraw/zinc/84/33/71/570843371.db2.gz HCFVZJWAQLCOMU-PDGQHHTCSA-N 0 0 383.831 4.226 50 10 GICARN NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 ZINC000044085461 570862385 /nfs/dbraw/zinc/86/23/85/570862385.db2.gz WWRSCQDAUKCACF-UHFFFAOYSA-N 0 0 392.311 4.483 50 10 GICARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(Br)cc3)C2=N)S1 ZINC000004725360 570866053 /nfs/dbraw/zinc/86/60/53/570866053.db2.gz MPNMXCIYUXAZMI-LITBSJMGSA-N 0 0 391.294 4.258 50 10 GICARN COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000102829024 570866318 /nfs/dbraw/zinc/86/63/18/570866318.db2.gz JFJJWMWSKHJBSG-XXBNENTESA-N 0 0 387.439 4.347 50 10 GICARN Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000102907377 570871349 /nfs/dbraw/zinc/87/13/49/570871349.db2.gz URVOPYQGLVPBJJ-WMZHIEFXSA-N 0 0 386.407 4.363 50 10 GICARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)CC1 ZINC000004571231 570897235 /nfs/dbraw/zinc/89/72/35/570897235.db2.gz GRMHSXZXCWEQQJ-XMHGGMMESA-N 0 0 397.931 4.441 50 10 GICARN COc1ccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc1OC ZINC000002118602 570952890 /nfs/dbraw/zinc/95/28/90/570952890.db2.gz NDHILBFTKCOPAG-UHFFFAOYSA-N 0 0 381.428 4.092 50 10 GICARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(OC)c1)CO3 ZINC000002119832 570953763 /nfs/dbraw/zinc/95/37/63/570953763.db2.gz WAUKUBWTYWJHDS-UHFFFAOYSA-N 0 0 395.455 4.428 50 10 GICARN CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c1C ZINC000005487091 570991626 /nfs/dbraw/zinc/99/16/26/570991626.db2.gz NWGQBMBAJRVSLN-CDLNYGKDSA-N 0 0 391.500 4.296 50 10 GICARN CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCN(c2ccc(F)cc2)CC1 ZINC000002275508 817382160 /nfs/dbraw/zinc/38/21/60/817382160.db2.gz VDBXUBIQIBSVQS-OCOZRVBESA-N 0 0 395.438 4.305 50 10 GICARN Cc1cc(C(=O)COc2nncc3ccccc32)c(C)n1-c1ccccc1F ZINC000003323381 817436792 /nfs/dbraw/zinc/43/67/92/817436792.db2.gz SFUYEMHGKRMJDM-UHFFFAOYSA-N 0 0 375.403 4.438 50 10 GICARN Cc1cc(C(=O)COC(=O)c2cccc(F)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003405154 817449947 /nfs/dbraw/zinc/44/99/47/817449947.db2.gz HKYWTWUHNDXGKL-UHFFFAOYSA-N 0 0 395.386 4.002 50 10 GICARN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(Cl)c1O ZINC000004284252 817516543 /nfs/dbraw/zinc/51/65/43/817516543.db2.gz LBZGIAYVWYWUCZ-UHFFFAOYSA-N 0 0 384.841 4.186 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(NC(=O)Cc3ccccc3)cc2)SC1=S ZINC000005591684 817599288 /nfs/dbraw/zinc/59/92/88/817599288.db2.gz IKKQWWCURCIARX-ATVHPVEESA-N 0 0 382.510 4.089 50 10 GICARN COC(=O)c1ccc([C@@H]2N=C(c3cccs3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000020763798 818630634 /nfs/dbraw/zinc/63/06/34/818630634.db2.gz WFBPUVKZXHRVHX-UWJYYQICSA-N 0 0 392.480 4.463 50 10 GICARN Oc1ccc(Br)cc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023281805 818920171 /nfs/dbraw/zinc/92/01/71/818920171.db2.gz AUFNFIHGFNPKOD-UHFFFAOYSA-N 0 0 381.701 4.130 50 10 GICARN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000027572139 820261398 /nfs/dbraw/zinc/26/13/98/820261398.db2.gz RXTARZNGGRQICK-QGMBQPNBSA-N 0 0 384.457 4.268 50 10 GICARN CCN1C(=O)/C(=C/c2ccc(NC(=O)/C=C\c3ccco3)cc2)SC1=S ZINC000034702017 821062538 /nfs/dbraw/zinc/06/25/38/821062538.db2.gz ZNJPYQOESWJLOE-ZQJDLNAESA-N 0 0 384.482 4.153 50 10 GICARN COc1ccc(C)cc1NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000040074790 821132814 /nfs/dbraw/zinc/13/28/14/821132814.db2.gz AFDJQJAPIKUIDO-UHFFFAOYSA-N 0 0 392.455 4.435 50 10 GICARN Cc1ccc(C)n1-c1ccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000040158217 821152786 /nfs/dbraw/zinc/15/27/86/821152786.db2.gz LOVPSAVJINHATM-UHFFFAOYSA-N 0 0 399.472 4.018 50 10 GICARN Cc1cccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccccc2)c1 ZINC000001454701 212245945 /nfs/dbraw/zinc/24/59/45/212245945.db2.gz KEKCVMVBYDVWBC-HAVVHWLPSA-N 0 0 399.494 4.471 50 10 GICARN O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001296089 212233347 /nfs/dbraw/zinc/23/33/47/212233347.db2.gz GJVVUSQHWVZEJW-REZTVBANSA-N 0 0 380.450 4.302 50 10 GICARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(C)=O)cc1OC ZINC000001235438 212232409 /nfs/dbraw/zinc/23/24/09/212232409.db2.gz NBYYSHWZVCHIJM-HXUWFJFHSA-N 0 0 390.439 4.260 50 10 GICARN O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1Cc1ccccc1 ZINC000001205307 212228890 /nfs/dbraw/zinc/22/88/90/212228890.db2.gz KTPRLFBKAXPEGL-WQLSENKSSA-N 0 0 380.288 4.444 50 10 GICARN Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(Br)c(C)c1 ZINC000001149274 212222777 /nfs/dbraw/zinc/22/27/77/212222777.db2.gz FAYFNRARWGTSMD-UHFFFAOYSA-N 0 0 393.350 4.173 50 10 GICARN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000001135316 212221946 /nfs/dbraw/zinc/22/19/46/212221946.db2.gz XOHILQJXIAOQEX-PTNGSMBKSA-N 0 0 398.802 4.125 50 10 GICARN COC(=O)c1sc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)c2c1N ZINC000001125848 212220793 /nfs/dbraw/zinc/22/07/93/212220793.db2.gz FEPAFNQGKIYLPJ-UHFFFAOYSA-N 0 0 396.346 4.080 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001099794 212216638 /nfs/dbraw/zinc/21/66/38/212216638.db2.gz KRDAJFRGPQRZLS-UHFFFAOYSA-N 0 0 378.384 4.042 50 10 GICARN O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000001101663 212216535 /nfs/dbraw/zinc/21/65/35/212216535.db2.gz UOXZLRSEGMJCJL-YPKPFQOOSA-N 0 0 390.848 4.207 50 10 GICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000001116220 212219130 /nfs/dbraw/zinc/21/91/30/212219130.db2.gz HOIOXOBHLUHDFC-OVCLIPMQSA-N 0 0 391.290 4.489 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1OC ZINC000001045160 212209587 /nfs/dbraw/zinc/20/95/87/212209587.db2.gz JDVGKQWERNTJKU-LZYBPNLTSA-N 0 0 393.436 4.388 50 10 GICARN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000000981820 212201522 /nfs/dbraw/zinc/20/15/22/212201522.db2.gz DXJXWZYDLJWLNX-GZQZNAIASA-N 0 0 398.484 4.000 50 10 GICARN COc1ccc(N2CCN(C(=O)[C@H](C)Sc3ccc(Cl)cc3)CC2)cc1 ZINC000000637412 212167414 /nfs/dbraw/zinc/16/74/14/212167414.db2.gz IZMJHNYTIKCDOH-HNNXBMFYSA-N 0 0 390.936 4.178 50 10 GICARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc32)C1 ZINC000000635406 212166997 /nfs/dbraw/zinc/16/69/97/212166997.db2.gz LEVIEHQOTYXYMA-AWEZNQCLSA-N 0 0 389.455 4.274 50 10 GICARN CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc21 ZINC000096669510 212155063 /nfs/dbraw/zinc/15/50/63/212155063.db2.gz KBYVELMOCPAZTM-KGENOOAVSA-N 0 0 378.435 4.451 50 10 GICARN COc1ccc(-c2c(C)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2=O)cc1 ZINC000004353838 212146908 /nfs/dbraw/zinc/14/69/08/212146908.db2.gz DFMUKSQCEULYEC-UHFFFAOYSA-N 0 0 379.456 4.469 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])s3)SC2=S)cc1 ZINC000002185121 220509899 /nfs/dbraw/zinc/50/98/99/220509899.db2.gz SPYIETQLOVDJCF-WQLSENKSSA-N 0 0 378.456 4.071 50 10 GICARN COc1ccc(C2(CC(=O)Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000002282168 220517533 /nfs/dbraw/zinc/51/75/33/220517533.db2.gz POSZVOUBTJQWNV-UHFFFAOYSA-N 0 0 385.419 4.041 50 10 GICARN CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c1C ZINC000004150640 220687329 /nfs/dbraw/zinc/68/73/29/220687329.db2.gz NMEOZMOOXORHJY-PALNNIJKSA-N 0 0 392.484 4.270 50 10 GICARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Br)o1 ZINC000005093357 220829042 /nfs/dbraw/zinc/82/90/42/220829042.db2.gz ABWZWRXXBYPAKG-UHFFFAOYSA-N 0 0 396.196 4.070 50 10 GICARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)c1 ZINC000005093706 220828552 /nfs/dbraw/zinc/82/85/52/220828552.db2.gz GFLATWZBPBSKSQ-UHFFFAOYSA-N 0 0 385.419 4.096 50 10 GICARN COc1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1 ZINC000006441538 220934833 /nfs/dbraw/zinc/93/48/33/220934833.db2.gz IBOLQDAPBQACOK-WQRHYEAKSA-N 0 0 381.478 4.420 50 10 GICARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3o2)cc1 ZINC000008342363 221037763 /nfs/dbraw/zinc/03/77/63/221037763.db2.gz BNFWUJZDURYFHN-HXUWFJFHSA-N 0 0 378.472 4.320 50 10 GICARN O=C(CSCc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000008517167 221043034 /nfs/dbraw/zinc/04/30/34/221043034.db2.gz BYGZAUPWNXPJEV-UHFFFAOYSA-N 0 0 387.460 4.334 50 10 GICARN Cc1c(C=C2C(=O)NC(=S)NC2=O)cc(-c2ccccc2)n1-c1ccccc1 ZINC000008742573 221054476 /nfs/dbraw/zinc/05/44/76/221054476.db2.gz JQVWGNNQNKIWHF-UHFFFAOYSA-N 0 0 387.464 4.207 50 10 GICARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2ccc3c(c2)OCO3)c1C ZINC000009228900 221075038 /nfs/dbraw/zinc/07/50/38/221075038.db2.gz HOILCRUXYAECLU-UHFFFAOYSA-N 0 0 393.443 4.153 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O ZINC000012625252 221215657 /nfs/dbraw/zinc/21/56/57/221215657.db2.gz FLQSQFXMIYNSSH-BOPFTXTBSA-N 0 0 387.482 4.205 50 10 GICARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012651385 221216778 /nfs/dbraw/zinc/21/67/78/221216778.db2.gz XAHAVUJVVYEFMA-UHFFFAOYSA-N 0 0 381.259 4.091 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OC ZINC000013802028 221289120 /nfs/dbraw/zinc/28/91/20/221289120.db2.gz ZDIRAVCOIMGBPQ-RGEXLXHISA-N 0 0 377.440 4.271 50 10 GICARN CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000013659136 221279721 /nfs/dbraw/zinc/27/97/21/221279721.db2.gz HFGOVTGAMMGJKK-ATVHPVEESA-N 0 0 399.493 4.278 50 10 GICARN COc1ccc2[nH]cc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c2c1 ZINC000013653693 221279835 /nfs/dbraw/zinc/27/98/35/221279835.db2.gz DXTBZQLGYZCRRL-IUXPMGMMSA-N 0 0 382.466 4.288 50 10 GICARN O=c1oc2c(ccc([O-])c2C[NH2+]Cc2ccccn2)cc1-c1cc(F)cc(F)c1 ZINC000013722817 221284491 /nfs/dbraw/zinc/28/44/91/221284491.db2.gz OIWZACKSQGLUBE-UHFFFAOYSA-N 0 0 394.377 4.129 50 10 GICARN CCc1ccc2c(c1)/C(=C1/SC(N(C)c3ccc(Cl)cc3)=NC1=O)C(=O)N2 ZINC000015016491 221327041 /nfs/dbraw/zinc/32/70/41/221327041.db2.gz JTINVLQLFKILNK-MSUUIHNZSA-N 0 0 397.887 4.331 50 10 GICARN COc1ccccc1-c1noc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000015571609 221337726 /nfs/dbraw/zinc/33/77/26/221337726.db2.gz BRTPSYWZWYFDAU-UHFFFAOYSA-N 0 0 392.503 4.368 50 10 GICARN N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000018115365 221386906 /nfs/dbraw/zinc/38/69/06/221386906.db2.gz YGAWAUHFRVMHCO-INIXKHHFSA-N 0 0 377.473 4.367 50 10 GICARN CN(C)c1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1 ZINC000018215134 221389768 /nfs/dbraw/zinc/38/97/68/221389768.db2.gz WKLQPULBPCZTCD-UHFFFAOYSA-N 0 0 382.467 4.293 50 10 GICARN Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1C ZINC000065096215 136159088 /nfs/dbraw/zinc/15/90/88/136159088.db2.gz NAHMNDCLGFVTBQ-UHFFFAOYSA-N 0 0 396.512 4.083 50 10 GICARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)cc4)S3)CC2)c1 ZINC000001471429 136193253 /nfs/dbraw/zinc/19/32/53/136193253.db2.gz YPDLLAHKONUJJX-RGEXLXHISA-N 0 0 397.931 4.441 50 10 GICARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(O)c2)cc1 ZINC000007884043 136195380 /nfs/dbraw/zinc/19/53/80/136195380.db2.gz SNUIJDNHIFWDJL-NRFANRHFSA-N 0 0 376.412 4.268 50 10 GICARN COc1ccc(N2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000007642931 136195442 /nfs/dbraw/zinc/19/54/42/136195442.db2.gz IEMHVYVOMLVMRE-UHFFFAOYSA-N 0 0 388.467 4.450 50 10 GICARN Cc1nc(-c2cccs2)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000175426469 136200174 /nfs/dbraw/zinc/20/01/74/136200174.db2.gz PSLMJKHRKZUKNB-UHFFFAOYSA-N 0 0 379.485 4.224 50 10 GICARN COc1ccccc1N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000051330799 222004240 /nfs/dbraw/zinc/00/42/40/222004240.db2.gz MIMFCBOTBKETQS-WQRHYEAKSA-N 0 0 381.478 4.420 50 10 GICARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccccc1OCc1cccnc1 ZINC000058344503 222051000 /nfs/dbraw/zinc/05/10/00/222051000.db2.gz IBCJROXWKSRFNO-CPNJWEJPSA-N 0 0 379.485 4.117 50 10 GICARN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1 ZINC000071384823 222182975 /nfs/dbraw/zinc/18/29/75/222182975.db2.gz MIMCEXWBANAVQY-OAHLLOKOSA-N 0 0 376.547 4.048 50 10 GICARN CCn1ccnc1C1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000095497554 222331275 /nfs/dbraw/zinc/33/12/75/222331275.db2.gz WXFIMBDPIMIHBN-UHFFFAOYSA-N 0 0 376.504 4.330 50 10 GICARN COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3C)N=C2C)cc(OC)c1O ZINC000096569882 222421573 /nfs/dbraw/zinc/42/15/73/222421573.db2.gz WNMWIPRYBSLQOU-ZSOIEALJSA-N 0 0 386.835 4.177 50 10 GICARN COc1cccc(CNC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)c1 ZINC000100422673 222458141 /nfs/dbraw/zinc/45/81/41/222458141.db2.gz BAJSJAIMIDQFMU-UYRXBGFRSA-N 0 0 392.484 4.091 50 10 GICARN CC(C)CCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000101091726 527721378 /nfs/dbraw/zinc/72/13/78/527721378.db2.gz OUAXYJSQVWTSNJ-LUAWRHEFSA-N 0 0 382.411 4.081 50 10 GICARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1 ZINC000019842239 570225302 /nfs/dbraw/zinc/22/53/02/570225302.db2.gz XSJZXBZJZYMUBX-RGEXLXHISA-N 0 0 397.931 4.128 50 10 GICARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000001182119 570255491 /nfs/dbraw/zinc/25/54/91/570255491.db2.gz QCKQQHYYEBAKRL-WOJGMQOQSA-N 0 0 385.510 4.414 50 10 GICARN CCCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O ZINC000004903376 570360559 /nfs/dbraw/zinc/36/05/59/570360559.db2.gz IKZCVITWOLNCTJ-IBGZPJMESA-N 0 0 379.416 4.244 50 10 GICARN CCN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2[O-])SC1=S ZINC000004482043 570377722 /nfs/dbraw/zinc/37/77/22/570377722.db2.gz DRSZQEHYVJQSCA-RUDMXATFSA-N 0 0 378.700 4.029 50 10 GICARN COc1cc2c(cc1NCC(=O)NCCc1cccs1)oc1ccccc12 ZINC000024224170 570381206 /nfs/dbraw/zinc/38/12/06/570381206.db2.gz LMYADQMZLUGYGG-UHFFFAOYSA-N 0 0 380.469 4.427 50 10 GICARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccc(C)cc1 ZINC000024287738 570381744 /nfs/dbraw/zinc/38/17/44/570381744.db2.gz XKCUTCBNBGVKCN-UHFFFAOYSA-N 0 0 380.517 4.383 50 10 GICARN Cc1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000024637115 570388446 /nfs/dbraw/zinc/38/84/46/570388446.db2.gz QIHPMMWDMZWRGJ-UHFFFAOYSA-N 0 0 389.434 4.125 50 10 GICARN CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S ZINC000005008564 570394315 /nfs/dbraw/zinc/39/43/15/570394315.db2.gz QAAASDAACJMRHA-XNTDXEJSSA-N 0 0 389.885 4.390 50 10 GICARN O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1Cc1cccnc1 ZINC000033315485 570406370 /nfs/dbraw/zinc/40/63/70/570406370.db2.gz JEBJEYXNKRTASK-RIYZIHGNSA-N 0 0 378.425 4.084 50 10 GICARN CCCCN1CCc2cc(C=C3C(=O)NC(=S)N([C@H](C)CC)C3=O)ccc21 ZINC000005051449 570406520 /nfs/dbraw/zinc/40/65/20/570406520.db2.gz QOCDRKFXCIVXOI-INQVIGDZSA-N 0 0 385.533 4.115 50 10 GICARN COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000004949524 570419491 /nfs/dbraw/zinc/41/94/91/570419491.db2.gz ZLAIJVDLTWZZRR-GOSISDBHSA-N 0 0 396.531 4.109 50 10 GICARN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1 ZINC000028288098 570454658 /nfs/dbraw/zinc/45/46/58/570454658.db2.gz YXLBTXRMROOUSP-UHFFFAOYSA-N 0 0 389.499 4.377 50 10 GICARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(F)c1 ZINC000005757021 570456101 /nfs/dbraw/zinc/45/61/01/570456101.db2.gz KNADWSZCKSJSLN-GXDHUFHOSA-N 0 0 392.502 4.117 50 10 GICARN Cc1cc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c(C)n1-c1cccc(C)c1 ZINC000252570772 570477558 /nfs/dbraw/zinc/47/75/58/570477558.db2.gz XDHWNWWLZWEBTI-IBGZPJMESA-N 0 0 387.483 4.258 50 10 GICARN COc1cccc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)c1OC ZINC000006568853 570483522 /nfs/dbraw/zinc/48/35/22/570483522.db2.gz HLJVKKFTKNIDER-WJDWOHSUSA-N 0 0 388.876 4.464 50 10 GICARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(F)c1 ZINC000005234203 570523611 /nfs/dbraw/zinc/52/36/11/570523611.db2.gz QUNCPCTUDYGPJM-RVDMUPIBSA-N 0 0 390.461 4.039 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000005261909 570531742 /nfs/dbraw/zinc/53/17/42/570531742.db2.gz ZHQUZRLIWYNICE-UHFFFAOYSA-N 0 0 375.472 4.183 50 10 GICARN O=C1C(=Cc2c[nH]nc2-c2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000008575292 570535030 /nfs/dbraw/zinc/53/50/30/570535030.db2.gz IHLBEDUWOOSYAK-BOPFTXTBSA-N 0 0 377.494 4.478 50 10 GICARN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(N(C)C)cc2)C1C(=O)OC(C)C ZINC000008997437 570545845 /nfs/dbraw/zinc/54/58/45/570545845.db2.gz SOBQPAGCHSUXSI-OAQYLSRUSA-N 0 0 390.487 4.343 50 10 GICARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccccc3Cl)C2=N)S1 ZINC000032964370 570547635 /nfs/dbraw/zinc/54/76/35/570547635.db2.gz ZSOUKUCCWSFREU-CAVDFQQASA-N 0 0 397.891 4.406 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(C)c1C ZINC000005489825 570614325 /nfs/dbraw/zinc/61/43/25/570614325.db2.gz VKMOCPPDUUUAPO-YNQUSLBMSA-N 0 0 391.500 4.350 50 10 GICARN CCc1ccc(/C=C2\SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1 ZINC000005516020 570623672 /nfs/dbraw/zinc/62/36/72/570623672.db2.gz FQSIRYCSWNXWGT-PGMHBOJBSA-N 0 0 391.540 4.350 50 10 GICARN Cc1cccc(Nc2cc(NCCO)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000004622667 570699310 /nfs/dbraw/zinc/69/93/10/570699310.db2.gz YIZRMSAYOLAXJB-UHFFFAOYSA-N 0 0 385.423 4.495 50 10 GICARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1nccs1 ZINC000000924753 570726067 /nfs/dbraw/zinc/72/60/67/570726067.db2.gz YNEBYWCDZFVJBI-UHFFFAOYSA-N 0 0 396.497 4.379 50 10 GICARN Cc1csc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)n1 ZINC000007423375 570840923 /nfs/dbraw/zinc/84/09/23/570840923.db2.gz BGMNAMWFMJNQHT-UHFFFAOYSA-N 0 0 378.910 4.236 50 10 GICARN CN1CCc2cc(CNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)ccc21 ZINC000170598770 570857348 /nfs/dbraw/zinc/85/73/48/570857348.db2.gz OHQXRWOUUZYXOK-UHFFFAOYSA-N 0 0 385.393 4.162 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccnc3Cl)c2C)cc1 ZINC000005711473 570864964 /nfs/dbraw/zinc/86/49/64/570864964.db2.gz BJSKGPPZOSKSTA-UHFFFAOYSA-N 0 0 398.846 4.191 50 10 GICARN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000103563377 570886905 /nfs/dbraw/zinc/88/69/05/570886905.db2.gz OMIBXRVTWKCBGM-JBTTYCITSA-N 0 0 380.448 4.400 50 10 GICARN Cc1ccc(Cc2cnc(NC(=O)CSc3nccs3)s2)cc1F ZINC000089643391 570908143 /nfs/dbraw/zinc/90/81/43/570908143.db2.gz KRNOESQSGMDUJB-UHFFFAOYSA-N 0 0 379.507 4.369 50 10 GICARN COc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1 ZINC000006441524 570938096 /nfs/dbraw/zinc/93/80/96/570938096.db2.gz WDCDYRSTRVYAMV-ODLFYWEKSA-N 0 0 395.505 4.415 50 10 GICARN O=C1/C(=C/c2cccnc2)SC(=S)N1c1cccc(Br)c1 ZINC000001246864 570949765 /nfs/dbraw/zinc/94/97/65/570949765.db2.gz GJVLFZKLXCDBEU-QPEQYQDCSA-N 0 0 377.288 4.250 50 10 GICARN COc1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1OC ZINC000002120752 570955976 /nfs/dbraw/zinc/95/59/76/570955976.db2.gz KFDFQYSYKINNDA-UHFFFAOYSA-N 0 0 389.407 4.320 50 10 GICARN COc1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1 ZINC000019326854 570974555 /nfs/dbraw/zinc/97/45/55/570974555.db2.gz HFUITGMKDNOAHP-UHFFFAOYSA-N 0 0 390.483 4.123 50 10 GICARN COc1ccc(C2=C/C(=C3/c4ccccc4-c4ncccc43)C(=O)O2)c(OC)c1 ZINC000004182342 570983294 /nfs/dbraw/zinc/98/32/94/570983294.db2.gz YWNHTWKUYZAAKJ-ZBJSNUHESA-N 0 0 383.403 4.479 50 10 GICARN O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(Br)cc1 ZINC000001416329 570992238 /nfs/dbraw/zinc/99/22/38/570992238.db2.gz QZMZVHSTKVMJDI-LCYFTJDESA-N 0 0 377.288 4.250 50 10 GICARN Cn1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 ZINC000002437363 817389522 /nfs/dbraw/zinc/38/95/22/817389522.db2.gz APEGBEXNVUBAJY-QGMBQPNBSA-N 0 0 394.477 4.313 50 10 GICARN CCc1cc2c(ncnc2SCc2cc(=O)oc3cc(O)c(O)cc23)s1 ZINC000002663735 817397506 /nfs/dbraw/zinc/39/75/06/817397506.db2.gz YGOKKUZVEXLJBC-UHFFFAOYSA-N 0 0 386.454 4.064 50 10 GICARN CCN(CC)c1ccc2c(c1)OC(=O)N[C@]2(c1ccc(OC)cc1)C(F)(F)F ZINC000003164057 817419056 /nfs/dbraw/zinc/41/90/56/817419056.db2.gz MZSLQGPWGPDIPI-IBGZPJMESA-N 0 0 394.393 4.449 50 10 GICARN COc1ccc(OC)c(-c2c(C)c3ccc([O-])c(C[NH+]4CCCC4)c3oc2=O)c1 ZINC000004084670 817501881 /nfs/dbraw/zinc/50/18/81/817501881.db2.gz IUWSBDNLAWVPPZ-UHFFFAOYSA-N 0 0 395.455 4.087 50 10 GICARN CCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000004159491 817507461 /nfs/dbraw/zinc/50/74/61/817507461.db2.gz AFVIKEVOWGODHM-PEZBUJJGSA-N 0 0 377.531 4.401 50 10 GICARN CCCn1c2ccc(Cl)cc2nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000031711784 820849315 /nfs/dbraw/zinc/84/93/15/820849315.db2.gz XOJSEVWOOXKOCL-UHFFFAOYSA-N 0 0 376.865 4.486 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000041108127 821172078 /nfs/dbraw/zinc/17/20/78/821172078.db2.gz PUUBJBUYUXGOBF-LVKBRKGQSA-N 0 0 377.473 4.042 50 10 GICARN Cc1cc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c(C)n1-c1ccc(F)cc1 ZINC000241815972 222722068 /nfs/dbraw/zinc/72/20/68/222722068.db2.gz SEPCLCCLSLKMBI-KRWDZBQOSA-N 0 0 391.446 4.089 50 10 GICARN O=C1N(Cc2ccccc2F)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 ZINC000002052484 212261425 /nfs/dbraw/zinc/26/14/25/212261425.db2.gz BABKOFUBFRDSHB-QFIPXVFZSA-N 0 0 389.455 4.224 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OC)c1OC ZINC000001506138 212247868 /nfs/dbraw/zinc/24/78/68/212247868.db2.gz FDFXZEHGNPDDOI-RVDMUPIBSA-N 0 0 387.482 4.118 50 10 GICARN Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 ZINC000001311793 212234883 /nfs/dbraw/zinc/23/48/83/212234883.db2.gz RHZGDXDMOWKUCC-DHDCSXOGSA-N 0 0 388.539 4.205 50 10 GICARN CC(=O)Oc1cccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c1 ZINC000001207418 212230078 /nfs/dbraw/zinc/23/00/78/212230078.db2.gz GULUGDURMLAXOX-OQLLNIDSSA-N 0 0 385.213 4.356 50 10 GICARN O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1Nc1ccccc1 ZINC000001187409 212227351 /nfs/dbraw/zinc/22/73/51/212227351.db2.gz LNZKLEHSEMFLGJ-OEPLLAQKSA-N 0 0 383.454 4.379 50 10 GICARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000001101761 212216905 /nfs/dbraw/zinc/21/69/05/212216905.db2.gz HZZCZHRJVBREDZ-PGMHBOJBSA-N 0 0 394.515 4.316 50 10 GICARN COc1ccc([C@@H](NC(=O)CC(C)C)c2ccc3cccnc3c2O)cc1OC ZINC000000801021 212182666 /nfs/dbraw/zinc/18/26/66/212182666.db2.gz PHCZZCIRGOHMGT-OAQYLSRUSA-N 0 0 394.471 4.209 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000000712603 212177011 /nfs/dbraw/zinc/17/70/11/212177011.db2.gz WRSLCWOQHZGSSD-ZHZULCJRSA-N 0 0 395.430 4.492 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C\c3sccc3C)C(C(=O)OC)=C2C)cc1 ZINC000000631847 212166514 /nfs/dbraw/zinc/16/65/14/212166514.db2.gz QROAIIPKPANVRW-ATVHPVEESA-N 0 0 383.469 4.332 50 10 GICARN COc1ccc(Oc2coc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)cc1 ZINC000020358382 212151251 /nfs/dbraw/zinc/15/12/51/212151251.db2.gz QBMLEMYKEVZDGO-UHFFFAOYSA-N 0 0 381.428 4.285 50 10 GICARN COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)ccc1O ZINC000100748899 212156909 /nfs/dbraw/zinc/15/69/09/212156909.db2.gz NQVUUYKCIYGUES-JPYJTQIMSA-N 0 0 394.471 4.230 50 10 GICARN Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)cc1 ZINC000007165954 212117521 /nfs/dbraw/zinc/11/75/21/212117521.db2.gz ZMLJJVLQERPAAR-XMHGGMMESA-N 0 0 396.537 4.237 50 10 GICARN CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)cc2)SC1=S ZINC000001165181 220481001 /nfs/dbraw/zinc/48/10/01/220481001.db2.gz HPYNKQQKGIJVFW-COOUDCDJSA-N 0 0 387.482 4.499 50 10 GICARN CCOc1ccc(N2C(=O)C(=Cc3ccc(N(CC)CC)cc3)NC2=S)cc1 ZINC000002247235 220514063 /nfs/dbraw/zinc/51/40/63/220514063.db2.gz GMGWLIZIJBKKAY-HKWRFOASSA-N 0 0 395.528 4.194 50 10 GICARN COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1 ZINC000002255218 220516135 /nfs/dbraw/zinc/51/61/35/220516135.db2.gz UKUHNVOJIRUYLL-WJDWOHSUSA-N 0 0 387.482 4.118 50 10 GICARN COCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000002824641 220572109 /nfs/dbraw/zinc/57/21/09/220572109.db2.gz PXTKMHJAOUDVLP-GDNBJRDFSA-N 0 0 379.890 4.448 50 10 GICARN CN(C)c1ccc(/C=C2\N=C(c3ccc(C(=O)c4ccccc4)cc3)OC2=O)cc1 ZINC000003181129 220609113 /nfs/dbraw/zinc/60/91/13/220609113.db2.gz YVVVXHAYBAOLKU-JWGURIENSA-N 0 0 396.446 4.328 50 10 GICARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)C([N+](=O)[O-])[C@@H]2c1ccccc1 ZINC000004322605 220704942 /nfs/dbraw/zinc/70/49/42/220704942.db2.gz KTUUHORZVGWSQT-HBMCJLEFSA-N 0 0 399.402 4.005 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=N)S1 ZINC000004656087 220742297 /nfs/dbraw/zinc/74/22/97/220742297.db2.gz UFXQDCDWKVRQCZ-GAGNZYIBSA-N 0 0 390.468 4.295 50 10 GICARN O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccc(Cl)cc1 ZINC000005478048 220874971 /nfs/dbraw/zinc/87/49/71/220874971.db2.gz ZHFRUUBEFOMWQY-NQDFZQDQSA-N 0 0 390.873 4.035 50 10 GICARN O=C1C2=C3CCCCCN3[C@@H](c3ccc(Cl)cc3)NC2=NN1c1ccccc1 ZINC000005824988 220901013 /nfs/dbraw/zinc/90/10/13/220901013.db2.gz QIAQUPQDXGVHQQ-NRFANRHFSA-N 0 0 392.890 4.432 50 10 GICARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008117803 221027561 /nfs/dbraw/zinc/02/75/61/221027561.db2.gz DQFGDBRGOKFZCG-ATVHPVEESA-N 0 0 383.429 4.311 50 10 GICARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3cccc(OC)c3)c2C)cc1 ZINC000009228624 221074287 /nfs/dbraw/zinc/07/42/87/221074287.db2.gz BDIKCNMBWGTLFO-UHFFFAOYSA-N 0 0 379.460 4.433 50 10 GICARN COc1ccc(N2CCN(C(=O)c3csc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000012607477 221214222 /nfs/dbraw/zinc/21/42/22/221214222.db2.gz KJLSBNPIYJQILZ-UHFFFAOYSA-N 0 0 393.512 4.090 50 10 GICARN Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1-c1ccc(C)cc1 ZINC000012610286 221214734 /nfs/dbraw/zinc/21/47/34/221214734.db2.gz KZFWXQKHUYIEDW-UHFFFAOYSA-N 0 0 377.469 4.057 50 10 GICARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000013769391 221288442 /nfs/dbraw/zinc/28/84/42/221288442.db2.gz NXMINUAEMUGBGP-ATVHPVEESA-N 0 0 383.429 4.311 50 10 GICARN Cc1ccc(N2CC(=O)N(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000015413063 221336479 /nfs/dbraw/zinc/33/64/79/221336479.db2.gz PYSJKJQOQIRJGE-DEOSSOPVSA-N 0 0 399.494 4.182 50 10 GICARN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000015011844 221325785 /nfs/dbraw/zinc/32/57/85/221325785.db2.gz ABMSBMIEMBTDEY-XNTDXEJSSA-N 0 0 378.475 4.137 50 10 GICARN O=C1NC(=S)S/C1=C\c1ccc(OCCOc2ccccc2Cl)cc1 ZINC000015800553 221346064 /nfs/dbraw/zinc/34/60/64/221346064.db2.gz HSSCGQFITNHACT-WJDWOHSUSA-N 0 0 391.901 4.287 50 10 GICARN O=[N+]([O-])c1ccc(NN2C=C3CCCC4=NN(c5ccccc5)S2=C34)cc1 ZINC000017118459 221380088 /nfs/dbraw/zinc/38/00/88/221380088.db2.gz QDHKAGRSGBLKBP-UHFFFAOYSA-N 0 0 379.445 4.453 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccccc3)c2)SC1=S ZINC000020608724 221503907 /nfs/dbraw/zinc/50/39/07/221503907.db2.gz AZBAROKPKWAUIF-LDADJPATSA-N 0 0 385.510 4.495 50 10 GICARN CCCCc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000064979289 136158430 /nfs/dbraw/zinc/15/84/30/136158430.db2.gz CASCLHFAYKJFBX-UHFFFAOYSA-N 0 0 389.448 4.108 50 10 GICARN C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000072437774 136170489 /nfs/dbraw/zinc/17/04/89/136170489.db2.gz LZUCEQNHTHPPPC-LJQANCHMSA-N 0 0 393.531 4.005 50 10 GICARN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1 ZINC000001471425 136193250 /nfs/dbraw/zinc/19/32/50/136193250.db2.gz JHZFIMURXJYITD-JXAWBTAJSA-N 0 0 383.904 4.133 50 10 GICARN Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(c1ccc3c(c1)OCO3)CO2 ZINC000002125039 136193434 /nfs/dbraw/zinc/19/34/34/136193434.db2.gz XZQBARVEUQDEGG-UHFFFAOYSA-N 0 0 391.423 4.065 50 10 GICARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)Cc2ccccc2)C1=O ZINC000033405972 221790678 /nfs/dbraw/zinc/79/06/78/221790678.db2.gz NHYFWCDROMNHIF-PYEASBQRSA-N 0 0 394.521 4.108 50 10 GICARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000033671916 221795078 /nfs/dbraw/zinc/79/50/78/221795078.db2.gz UIJNRPRXXUUWQG-PBGDOYKQSA-N 0 0 397.891 4.387 50 10 GICARN COc1ccc(N2CCN(C(=O)CSc3ccc4ccccc4c3)CC2)cc1 ZINC000033675551 221795750 /nfs/dbraw/zinc/79/57/50/221795750.db2.gz SWIKMWBJIFMFIZ-UHFFFAOYSA-N 0 0 392.524 4.289 50 10 GICARN Cc1cc(C(=O)NCc2ccnc(-n3ccnc3C)c2)c(C)n1-c1ccccc1C ZINC000058382456 222050622 /nfs/dbraw/zinc/05/06/22/222050622.db2.gz KULPMODNEHNLAC-UHFFFAOYSA-N 0 0 399.498 4.222 50 10 GICARN COc1ccc(N(C)Cc2nc3sc4c(c3c(N)n2)CCCCC4)cc1OC ZINC000058402369 222052324 /nfs/dbraw/zinc/05/23/24/222052324.db2.gz VVLUKHNJCHYMOL-UHFFFAOYSA-N 0 0 398.532 4.196 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1 ZINC000061460574 222061584 /nfs/dbraw/zinc/06/15/84/222061584.db2.gz VJAVWSYTFHWWBB-UHFFFAOYSA-N 0 0 384.439 4.097 50 10 GICARN CCn1cc([C@H]2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000071785149 222196985 /nfs/dbraw/zinc/19/69/85/222196985.db2.gz ALURYFJQWDHASB-HXUWFJFHSA-N 0 0 391.431 4.181 50 10 GICARN COc1ccc(N(Cc2cccs2)Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000057644587 533987504 /nfs/dbraw/zinc/98/75/04/533987504.db2.gz BKOQLTUYOJZSJE-UHFFFAOYSA-N 0 0 391.496 4.280 50 10 GICARN Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1ccc(Cl)cc1 ZINC000009378780 526216955 /nfs/dbraw/zinc/21/69/55/526216955.db2.gz DUZMVJJEYCVTFP-UHFFFAOYSA-N 0 0 395.890 4.066 50 10 GICARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc1 ZINC000000706364 528313892 /nfs/dbraw/zinc/31/38/92/528313892.db2.gz XBHGAIGVEQYRLJ-FQEVSTJZSA-N 0 0 385.508 4.037 50 10 GICARN O=c1c(-c2nc3ccccc3s2)coc2c1ccc([O-])c2C[NH+]1CCCC1 ZINC000020228283 570249172 /nfs/dbraw/zinc/24/91/72/570249172.db2.gz BFZGVEBKRNNBIQ-UHFFFAOYSA-N 0 0 378.453 4.371 50 10 GICARN CSc1ccc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)cc1 ZINC000004825896 570294314 /nfs/dbraw/zinc/29/43/14/570294314.db2.gz PWAFVBRQPBKPGV-ILZPQDLUSA-N 0 0 390.559 4.374 50 10 GICARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C([N+](=O)[O-])[C@H]2c1ccccc1 ZINC000103116929 570294361 /nfs/dbraw/zinc/29/43/61/570294361.db2.gz KTUUHORZVGWSQT-NJDAHSKKSA-N 0 0 399.402 4.005 50 10 GICARN CNc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O ZINC000004148558 570359912 /nfs/dbraw/zinc/35/99/12/570359912.db2.gz FJJMTRXALHEJFS-UHFFFAOYSA-N 0 0 395.050 4.029 50 10 GICARN O=C(COc1ccc(Cl)cc1)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004659153 570390023 /nfs/dbraw/zinc/39/00/23/570390023.db2.gz WKGKDOHNVHDFHW-UHFFFAOYSA-N 0 0 392.794 4.100 50 10 GICARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004735538 570399479 /nfs/dbraw/zinc/39/94/79/570399479.db2.gz VHAHUFPKRVMFMV-OAQYLSRUSA-N 0 0 390.487 4.344 50 10 GICARN O=C1c2ccccc2C(=O)c2c1c(Cl)c(Cl)c(Cl)c2N1CCOCC1 ZINC000004806673 570406752 /nfs/dbraw/zinc/40/67/52/570406752.db2.gz LOHJXZUXFHSLNB-UHFFFAOYSA-N 0 0 396.657 4.259 50 10 GICARN C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000028288296 570454680 /nfs/dbraw/zinc/45/46/80/570454680.db2.gz VEPZZASHXXLMOG-KRWDZBQOSA-N 0 0 393.462 4.287 50 10 GICARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000006365838 570478197 /nfs/dbraw/zinc/47/81/97/570478197.db2.gz SWBNQKLFFIRNPS-UHFFFAOYSA-N 0 0 380.395 4.206 50 10 GICARN O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)Nc1cccnc1Cl ZINC000029923363 570482872 /nfs/dbraw/zinc/48/28/72/570482872.db2.gz NUEHJDKSIPCFSB-UHFFFAOYSA-N 0 0 385.773 4.025 50 10 GICARN O=C(NCCCO)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000004697726 570540091 /nfs/dbraw/zinc/54/00/91/570540091.db2.gz YQGJBOCTJWSNCG-UHFFFAOYSA-N 0 0 381.435 4.202 50 10 GICARN CCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000006747950 570566741 /nfs/dbraw/zinc/56/67/41/570566741.db2.gz UAPUZXIGNNSMFV-QHCPKHFHSA-N 0 0 396.531 4.363 50 10 GICARN COc1ccc(N2CCC(N(C)C(=O)Nc3ccc4oc(C)nc4c3)CC2)cc1 ZINC000225480618 570578592 /nfs/dbraw/zinc/57/85/92/570578592.db2.gz HZVJACMLLZGGPN-UHFFFAOYSA-N 0 0 394.475 4.278 50 10 GICARN Cc1cc(C(=O)Nc2ccc(N3CCOC3=O)cc2)c(C)n1-c1cccc(F)c1 ZINC000155743350 570687861 /nfs/dbraw/zinc/68/78/61/570687861.db2.gz RUFLWKMYCDSBNL-UHFFFAOYSA-N 0 0 393.418 4.442 50 10 GICARN COc1ccc(NC2=NC(=O)C(=Cc3ccc(N4CCCCC4)o3)S2)cc1 ZINC000005796137 570691272 /nfs/dbraw/zinc/69/12/72/570691272.db2.gz IWYUVRQWTVQTJK-GHRIWEEISA-N 0 0 383.473 4.361 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000000977975 570742433 /nfs/dbraw/zinc/74/24/33/570742433.db2.gz ONBKANRXCTXCLM-MHWRWJLKSA-N 0 0 375.446 4.249 50 10 GICARN COC(=O)c1ccccc1NCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S ZINC000001023616 570747196 /nfs/dbraw/zinc/74/71/96/570747196.db2.gz HZWMMZFRUYPCRQ-GZTJUZNOSA-N 0 0 398.509 4.052 50 10 GICARN Cc1cc(C(=O)CSc2nc(C)c(C)o2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000170610637 570866946 /nfs/dbraw/zinc/86/69/46/570866946.db2.gz RDADMPJDHBOXLP-UHFFFAOYSA-N 0 0 398.484 4.445 50 10 GICARN O=C1c2ccccc2C(=O)C1C(c1ccccc1)C1C(=O)c2ccccc2C1=O ZINC000100103031 570898781 /nfs/dbraw/zinc/89/87/81/570898781.db2.gz AEKFPJQSPBTNGY-UHFFFAOYSA-N 0 0 380.399 4.161 50 10 GICARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000170636744 570936722 /nfs/dbraw/zinc/93/67/22/570936722.db2.gz YWRJLYCXIORTIF-UHFFFAOYSA-N 0 0 382.464 4.294 50 10 GICARN CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(N(C)C)cc3)NC(=O)CCN21 ZINC000002112206 570950726 /nfs/dbraw/zinc/95/07/26/570950726.db2.gz KUKMKNWWKPVPMV-CDIAOGBUSA-N 0 0 389.543 4.342 50 10 GICARN COC(=O)c1cc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc32)c(C)o1 ZINC000004755009 570966727 /nfs/dbraw/zinc/96/67/27/570966727.db2.gz YALYULABHIQQHV-UHFFFAOYSA-N 0 0 394.379 4.222 50 10 GICARN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)o1 ZINC000033337343 570989347 /nfs/dbraw/zinc/98/93/47/570989347.db2.gz HGMDRTQYKBBDMU-GZTJUZNOSA-N 0 0 388.876 4.211 50 10 GICARN CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000002248248 817381460 /nfs/dbraw/zinc/38/14/60/817381460.db2.gz HBUHGDOJHLNLBB-SSZFMOIBSA-N 0 0 377.531 4.320 50 10 GICARN CN(C)c1ccc([C@@H]2SCC(=O)N2Nc2ncc(Cl)cc2Cl)cc1 ZINC000002319827 817383899 /nfs/dbraw/zinc/38/38/99/817383899.db2.gz ILMJNVJSBBGXFM-INIZCTEOSA-N 0 0 383.304 4.056 50 10 GICARN COc1ccccc1N(Cc1ccccc1O)C(=O)COc1ccccc1C ZINC000003186984 817420298 /nfs/dbraw/zinc/42/02/98/817420298.db2.gz XPCFEHIYAHLGBJ-UHFFFAOYSA-N 0 0 377.440 4.321 50 10 GICARN Cc1cc(C(=O)COC(=O)c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003510779 817473986 /nfs/dbraw/zinc/47/39/86/817473986.db2.gz LEHKWUPWFGULOF-UHFFFAOYSA-N 0 0 395.386 4.002 50 10 GICARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2ncsc2c1 ZINC000004088475 817502743 /nfs/dbraw/zinc/50/27/43/817502743.db2.gz YGILEEPRSPVBTJ-UHFFFAOYSA-N 0 0 384.416 4.324 50 10 GICARN COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004151433 817506759 /nfs/dbraw/zinc/50/67/59/817506759.db2.gz WTGRLGCHWTUYKT-FCEWJHQRSA-N 0 0 380.400 4.217 50 10 GICARN Cc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000020236950 818617561 /nfs/dbraw/zinc/61/75/61/818617561.db2.gz FBRVFMHWPMDSRW-KKKIXCIXSA-N 0 0 398.825 4.337 50 10 GICARN CCN(CC)c1ccc(CN(C)C(=O)c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000032277210 820906414 /nfs/dbraw/zinc/90/64/14/820906414.db2.gz UYHOVFMBWKOKRB-UHFFFAOYSA-N 0 0 379.508 4.131 50 10 GICARN COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000227486713 222708592 /nfs/dbraw/zinc/70/85/92/222708592.db2.gz NFYACXHBDUDVSM-CVDCTZTESA-N 0 0 387.439 4.347 50 10 GICARN O=C1/C(=C/c2ccncc2)SC(=S)N1c1cccc(Br)c1 ZINC000001830501 212257591 /nfs/dbraw/zinc/25/75/91/212257591.db2.gz AGKJSXDDLNRYFZ-JYRVWZFOSA-N 0 0 377.288 4.250 50 10 GICARN O=C1N(Cc2ccccc2F)c2ccccc2[C@]12NN=C(c1ccccc1)S2 ZINC000002052483 212261507 /nfs/dbraw/zinc/26/15/07/212261507.db2.gz BABKOFUBFRDSHB-JOCHJYFZSA-N 0 0 389.455 4.224 50 10 GICARN O=C1NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000001452717 212246605 /nfs/dbraw/zinc/24/66/05/212246605.db2.gz ZQYBBLCXKLDTNY-MHWRWJLKSA-N 0 0 381.457 4.167 50 10 GICARN Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000010215397 212239081 /nfs/dbraw/zinc/23/90/81/212239081.db2.gz URVOPYQGLVPBJJ-CVDCTZTESA-N 0 0 386.407 4.363 50 10 GICARN O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1Cl ZINC000001236259 212232600 /nfs/dbraw/zinc/23/26/00/212232600.db2.gz HWDKXTRFTWRQIG-ZROIWOOFSA-N 0 0 392.864 4.025 50 10 GICARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Cc1ccco1 ZINC000001212852 212230006 /nfs/dbraw/zinc/23/00/06/212230006.db2.gz FTKKOHZXGLOFCV-JYRVWZFOSA-N 0 0 380.288 4.444 50 10 GICARN Cn1c(=O)cc2c3c1ccc(Nc1ccc(C=O)cc1)c3C(=O)c1ccccc1-2 ZINC000001065061 212212437 /nfs/dbraw/zinc/21/24/37/212212437.db2.gz LCDWLCLQYOYJDI-UHFFFAOYSA-N 0 0 380.403 4.306 50 10 GICARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000001074366 212214227 /nfs/dbraw/zinc/21/42/27/212214227.db2.gz RUXLNPIAFLHHAO-RGEXLXHISA-N 0 0 381.859 4.255 50 10 GICARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)cc1 ZINC000000973395 212201169 /nfs/dbraw/zinc/20/11/69/212201169.db2.gz XDVZBBHKOJWUPB-ZRCAFCQKSA-N 0 0 399.535 4.283 50 10 GICARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000000894247 212194324 /nfs/dbraw/zinc/19/43/24/212194324.db2.gz NNUXUSGXSYIHMS-UHFFFAOYSA-N 0 0 392.440 4.431 50 10 aggregator GICARN COc1ccc(N2CCN(C(=O)c3oc4cc(C)c(C)cc4c3C)CC2)cc1 ZINC000000703712 212175089 /nfs/dbraw/zinc/17/50/89/212175089.db2.gz ZIHHAGPVAUDLQI-UHFFFAOYSA-N 0 0 378.472 4.329 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000000653820 212169792 /nfs/dbraw/zinc/16/97/92/212169792.db2.gz ABZQFYNIYXUSBD-UYRXBGFRSA-N 0 0 396.874 4.283 50 10 GICARN COc1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)c1 ZINC000000638979 212168487 /nfs/dbraw/zinc/16/84/87/212168487.db2.gz QNSSQENVCUDHRS-FYJGNVAPSA-N 0 0 387.439 4.200 50 10 GICARN Cc1c(O)ccc2c(CSc3ncc(-c4ccccc4)n3C)cc(=O)oc12 ZINC000009112163 212162898 /nfs/dbraw/zinc/16/28/98/212162898.db2.gz YYYPRIQZAMMLKC-UHFFFAOYSA-N 0 0 378.453 4.500 50 10 GICARN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)c1 ZINC000096921020 212155872 /nfs/dbraw/zinc/15/58/72/212155872.db2.gz XQKQPMZUMATFJB-WQRHYEAKSA-N 0 0 383.494 4.480 50 10 GICARN COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000003129874 220604748 /nfs/dbraw/zinc/60/47/48/220604748.db2.gz HGUBAJBCLCPDHB-UHFFFAOYSA-N 0 0 398.418 4.279 50 10 GICARN Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003193594 220608569 /nfs/dbraw/zinc/60/85/69/220608569.db2.gz DJVCRWWANMEBET-UHFFFAOYSA-N 0 0 393.361 4.332 50 10 GICARN COC(=O)CCCCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S ZINC000004076824 220678440 /nfs/dbraw/zinc/67/84/40/220678440.db2.gz NMWWWOYLGWUXCQ-NTCAYCPXSA-N 0 0 379.503 4.266 50 10 GICARN COc1ccc(Cl)cc1-n1cccc1/C=C1/C(=N)N2C(C)=CSC2=NC1=O ZINC000004909212 220787548 /nfs/dbraw/zinc/78/75/48/220787548.db2.gz IICFWQBSIOMJBN-PBGDOYKQSA-N 0 0 398.875 4.306 50 10 GICARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@@H]1c1ccc(N(C)C)cc1 ZINC000004982484 220805216 /nfs/dbraw/zinc/80/52/16/220805216.db2.gz HKLWBQXDUWLMNH-XXBNENTESA-N 0 0 377.488 4.021 50 10 GICARN N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000005046736 220818350 /nfs/dbraw/zinc/81/83/50/220818350.db2.gz QWXIZYIYLKVSSS-HLLBZCHMSA-N 0 0 399.435 4.009 50 10 GICARN Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2 ZINC000005119641 220831455 /nfs/dbraw/zinc/83/14/55/220831455.db2.gz UEGKOHQYHTWTJO-ZHZULCJRSA-N 0 0 393.446 4.246 50 10 GICARN Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(c1ccc2c(c1)OCCO2)CO3 ZINC000005516592 220879935 /nfs/dbraw/zinc/87/99/35/220879935.db2.gz NNLJNGXZGOBRIU-UHFFFAOYSA-N 0 0 399.830 4.191 50 10 GICARN C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccccc1 ZINC000008023586 221023490 /nfs/dbraw/zinc/02/34/90/221023490.db2.gz FMTBWKOLRDZOJC-CVDCTZTESA-N 0 0 380.532 4.454 50 10 GICARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(O)c1O ZINC000007884014 221016214 /nfs/dbraw/zinc/01/62/14/221016214.db2.gz GKROTNSZMDPZIO-JOCHJYFZSA-N 0 0 390.439 4.182 50 10 GICARN Cc1cc(C(=O)CSc2ncnc3sccc32)c(C)n1-c1ccccn1 ZINC000008487975 221042681 /nfs/dbraw/zinc/04/26/81/221042681.db2.gz AWGXOSZEZGNYJW-UHFFFAOYSA-N 0 0 380.498 4.469 50 10 GICARN COc1ccc(N2CCN(C(=O)c3c(C)c4cc(Cl)ccc4n3C)CC2)cc1 ZINC000009264138 221075636 /nfs/dbraw/zinc/07/56/36/221075636.db2.gz RXMUFKTTWVCULD-UHFFFAOYSA-N 0 0 397.906 4.111 50 10 GICARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccnn1C1CCCC1 ZINC000009672222 221088829 /nfs/dbraw/zinc/08/88/29/221088829.db2.gz OAIPXBPQIPOTNZ-UHFFFAOYSA-N 0 0 375.885 4.259 50 10 GICARN Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000012413076 221190397 /nfs/dbraw/zinc/19/03/97/221190397.db2.gz PYVRTTHQRUCCBV-UVTDQMKNSA-N 0 0 383.389 4.022 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c(OC)c1 ZINC000012629342 221215547 /nfs/dbraw/zinc/21/55/47/221215547.db2.gz SVNAKIRGSVPRBI-YVLHZVERSA-N 0 0 387.482 4.118 50 10 GICARN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O ZINC000013881407 221293144 /nfs/dbraw/zinc/29/31/44/221293144.db2.gz OSNVXWWJUCRCQR-ZHZULCJRSA-N 0 0 394.496 4.068 50 10 GICARN COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000014009757 221295846 /nfs/dbraw/zinc/29/58/46/221295846.db2.gz CZIGDJZOFKIGRF-WOJGMQOQSA-N 0 0 397.862 4.046 50 10 GICARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000016183562 221358409 /nfs/dbraw/zinc/35/84/09/221358409.db2.gz MDJOMQPLURJTQV-ATVHPVEESA-N 0 0 399.493 4.278 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCc1ccccc1F ZINC000016156298 221358805 /nfs/dbraw/zinc/35/88/05/221358805.db2.gz NFDBWDFCWRYZNU-LICLKQGHSA-N 0 0 389.473 4.244 50 10 GICARN COc1ccc(OCc2ccc(C)cc2)c(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000016212772 221358853 /nfs/dbraw/zinc/35/88/53/221358853.db2.gz DGVDQPQUOGRCFI-WQRHYEAKSA-N 0 0 385.510 4.414 50 10 GICARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000016753948 221371099 /nfs/dbraw/zinc/37/10/99/221371099.db2.gz UVNHZPYTVIFHCD-UHFFFAOYSA-N 0 0 379.416 4.096 50 10 GICARN CCCCCNC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O ZINC000019606635 221437634 /nfs/dbraw/zinc/43/76/34/221437634.db2.gz FBDMQKPNLAYVTC-UHFFFAOYSA-N 0 0 389.540 4.106 50 10 GICARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)NC2CCCCCC2)cc1 ZINC000020215702 221479321 /nfs/dbraw/zinc/47/93/21/221479321.db2.gz ICCJWZOLRXVEAA-OAQYLSRUSA-N 0 0 389.609 4.331 50 10 GICARN O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(C[NH2+]C[C@H]3CCCO3)c2o1 ZINC000020646709 221506746 /nfs/dbraw/zinc/50/67/46/221506746.db2.gz PZJQTHHXYKTVFT-CQSZACIVSA-N 0 0 385.847 4.088 50 10 GICARN Cc1cc(C(=O)N2CCN(c3ncccc3Cl)CC2)c(C)n1-c1ccccc1 ZINC000058284684 136155185 /nfs/dbraw/zinc/15/51/85/136155185.db2.gz GIVUHMHNUHNXDI-UHFFFAOYSA-N 0 0 394.906 4.105 50 10 GICARN COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c1C ZINC000049593145 222001417 /nfs/dbraw/zinc/00/14/17/222001417.db2.gz MIQCLMBVHCKCSD-BTWTVLLVSA-N 0 0 392.484 4.270 50 10 GICARN CCc1nc2sc(C(=O)NCc3ccc(N(C)C)c(F)c3)c(C)c2c(C)n1 ZINC000058972185 222055712 /nfs/dbraw/zinc/05/57/12/222055712.db2.gz KZFGKLGYQHGQKL-UHFFFAOYSA-N 0 0 386.496 4.006 50 10 GICARN CN(Cc1nnc(SCc2ccccc2Cl)n1C)Cc1ccccc1O ZINC000064031746 222068819 /nfs/dbraw/zinc/06/88/19/222068819.db2.gz XUHNWBCERPSTNL-UHFFFAOYSA-N 0 0 388.924 4.098 50 10 GICARN CC[C@@H]1Cn2c(C(=O)NCc3ccc(N(C)C)cc3)cc3c2c(ccc3Cl)O1 ZINC000064816642 222084090 /nfs/dbraw/zinc/08/40/90/222084090.db2.gz MKOTXVFPISWSBY-MRXNPFEDSA-N 0 0 397.906 4.462 50 10 GICARN Cc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)s1 ZINC000069577286 222174723 /nfs/dbraw/zinc/17/47/23/222174723.db2.gz NFWQOUBALLANOI-SJFMBGHLSA-N 0 0 384.545 4.344 50 10 GICARN CN1c2ccccc2S[C@H]2C=CC(CCN3C(=O)c4ccccc4C3=O)=C[C@H]21 ZINC000101242809 222468979 /nfs/dbraw/zinc/46/89/79/222468979.db2.gz CLJYTWXMEAQEJM-CTNGQTDRSA-N 0 0 388.492 4.148 50 10 GICARN CCCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O ZINC000019809338 570221228 /nfs/dbraw/zinc/22/12/28/570221228.db2.gz SOVKRGMGRQVHRJ-FQEVSTJZSA-N 0 0 386.923 4.231 50 10 GICARN C[C@H]1CN2c3ccccc3C(C)(C)[C@@]2(/C=C/c2ccc(N(C)C)cc2)NC1=O ZINC000004817374 570236020 /nfs/dbraw/zinc/23/60/20/570236020.db2.gz YXVYMGORJIFWRG-QENBSYJXSA-N 0 0 375.516 4.026 50 10 GICARN COC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc21)c1ccccc1 ZINC000001129670 570245166 /nfs/dbraw/zinc/24/51/66/570245166.db2.gz KWINLTGQDHGDQH-OAQYLSRUSA-N 0 0 390.391 4.248 50 10 GICARN CCN(CC)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000001134097 570246788 /nfs/dbraw/zinc/24/67/88/570246788.db2.gz KFWFLUJZMBLFGB-WOJGMQOQSA-N 0 0 399.878 4.292 50 10 GICARN COC(=O)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000001154006 570249561 /nfs/dbraw/zinc/24/95/61/570249561.db2.gz YXJDPSAFWRVQHI-YVLHZVERSA-N 0 0 394.477 4.360 50 10 GICARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc(OC(F)(F)F)cc2)CO1 ZINC000020559441 570267787 /nfs/dbraw/zinc/26/77/87/570267787.db2.gz WMZYMIMDGFWFFK-UHFFFAOYSA-N 0 0 377.318 4.357 50 10 GICARN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(Cl)c1 ZINC000006132492 570276218 /nfs/dbraw/zinc/27/62/18/570276218.db2.gz SBAHRUKIOIPGMV-MDWZMJQESA-N 0 0 394.930 4.241 50 10 GICARN CCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002308805 570281864 /nfs/dbraw/zinc/28/18/64/570281864.db2.gz BOSGIOCVBKTVFW-KAMYIIQDSA-N 0 0 383.922 4.275 50 10 GICARN CCOc1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 ZINC000002347124 570283611 /nfs/dbraw/zinc/28/36/11/570283611.db2.gz YTEVDGLBPXBAMI-WJDWOHSUSA-N 0 0 381.482 4.367 50 10 GICARN CC(=O)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000004835401 570310309 /nfs/dbraw/zinc/31/03/09/570310309.db2.gz BLXVLUVKENWFQL-UHFFFAOYSA-N 0 0 390.439 4.092 50 10 GICARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(Cl)c3)C2=N)S1 ZINC000004909337 570362113 /nfs/dbraw/zinc/36/21/13/570362113.db2.gz NVWIISNKTOBMOJ-GDXBMZNVSA-N 0 0 397.891 4.406 50 10 GICARN Cc1ccc(C=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)o1 ZINC000004568536 570384948 /nfs/dbraw/zinc/38/49/48/570384948.db2.gz KIEOSEAYAGJXJN-UHFFFAOYSA-N 0 0 384.476 4.428 50 10 GICARN CCN1C(=O)/C(=C2\c3cc(C)cc4c3N(C2=O)C(C)(C)C=C4C)SC1=S ZINC000004681571 570392592 /nfs/dbraw/zinc/39/25/92/570392592.db2.gz HQNALZKPOXKWRL-PEZBUJJGSA-N 0 0 384.526 4.128 50 10 GICARN CC(C)(C)NC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004747580 570402161 /nfs/dbraw/zinc/40/21/61/570402161.db2.gz WAZHWJBZMNRJRD-WYMLVPIESA-N 0 0 396.603 4.424 50 10 GICARN COc1ccc(NN=Nc2ccc(I)cc2)c([N+](=O)[O-])c1 ZINC000004952255 570419483 /nfs/dbraw/zinc/41/94/83/570419483.db2.gz CQOGXFSPVOXWMV-UHFFFAOYSA-N 0 0 398.160 4.319 50 10 GICARN CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000005127903 570422028 /nfs/dbraw/zinc/42/20/28/570422028.db2.gz YATIFOHNIMBMCI-WJDWOHSUSA-N 0 0 385.470 4.067 50 10 GICARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000006429141 570480009 /nfs/dbraw/zinc/48/00/09/570480009.db2.gz WDSNQBCRHBTWNE-UHFFFAOYSA-N 0 0 381.288 4.494 50 10 GICARN CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000006440354 570480279 /nfs/dbraw/zinc/48/02/79/570480279.db2.gz RIPFQLBWDOQPNG-ATVHPVEESA-N 0 0 377.494 4.370 50 10 GICARN COc1ccc(N2CCN(C(=O)c3cc(C)nc4c(C)cc(C)cc34)CC2)cc1 ZINC000032961563 570533242 /nfs/dbraw/zinc/53/32/42/570533242.db2.gz SFVDAHNTZNNXQL-UHFFFAOYSA-N 0 0 389.499 4.131 50 10 GICARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccccc2)C12C(=O)c1ccccc1C2=O ZINC000022781066 570538955 /nfs/dbraw/zinc/53/89/55/570538955.db2.gz LTUQYWGSUQFIAA-UXHICEINSA-N 0 0 397.386 4.257 50 10 GICARN Cc1cc(NS(=O)(=O)c2ccccc2)cc(-c2nc3ccccc3o2)c1O ZINC000008992961 570545551 /nfs/dbraw/zinc/54/55/51/570545551.db2.gz OOHWJBAXKHVJPD-UHFFFAOYSA-N 0 0 380.425 4.310 50 10 GICARN COCCNc1cc(N2CCC[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006738022 570562601 /nfs/dbraw/zinc/56/26/01/570562601.db2.gz YOMFDZUXZNKNKU-AWEZNQCLSA-N 0 0 391.471 4.334 50 10 GICARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]c3C)CC2)cc1 ZINC000006781512 570589147 /nfs/dbraw/zinc/58/91/47/570589147.db2.gz RTUDJUJUGZGNPT-UHFFFAOYSA-N 0 0 393.462 4.100 50 10 GICARN COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(NC(C)=O)cc3)c2C)c1 ZINC000036397441 570681728 /nfs/dbraw/zinc/68/17/28/570681728.db2.gz GQQOHGVFYMNBIJ-UHFFFAOYSA-N 0 0 377.444 4.313 50 10 GICARN CNc1nnc(SCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)s1 ZINC000017980239 570723157 /nfs/dbraw/zinc/72/31/57/570723157.db2.gz MCUKMNXUQFVLAO-UHFFFAOYSA-N 0 0 390.509 4.410 50 10 GICARN COc1ccc(C2(Nc3ccc(F)cc3F)C(=O)c3ccccc3C2=O)cc1 ZINC000007003037 570737679 /nfs/dbraw/zinc/73/76/79/570737679.db2.gz RVRXWCUOWZHEDS-UHFFFAOYSA-N 0 0 379.362 4.360 50 10 GICARN C[C@@H]1CN2c3ccccc3C(C)(C)[C@]2(/C=C/c2ccc(N(C)C)cc2)NC1=O ZINC000001060068 570749417 /nfs/dbraw/zinc/74/94/17/570749417.db2.gz YXVYMGORJIFWRG-YMXWFHOSSA-N 0 0 375.516 4.026 50 10 GICARN CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)o2)cc1 ZINC000032722617 570768674 /nfs/dbraw/zinc/76/86/74/570768674.db2.gz NCKNKJKRWPEHRY-UHFFFAOYSA-N 0 0 376.456 4.487 50 10 GICARN O=C1/C(=C\c2ccc(Br)s2)SC(=S)N1c1cccnc1 ZINC000096663478 570776795 /nfs/dbraw/zinc/77/67/95/570776795.db2.gz DQFNISGFNLXGEX-UXBLZVDNSA-N 0 0 383.317 4.311 50 10 GICARN COc1ccc(N2CCN(C(=O)c3cc4cn(C5CC5)cc4s3)CC2)cc1 ZINC000065285586 570781083 /nfs/dbraw/zinc/78/10/83/570781083.db2.gz QAQKIVBVNQUIOJ-UHFFFAOYSA-N 0 0 381.501 4.009 50 10 GICARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)c1ccc(O)c(O)c1 ZINC000007160747 570808437 /nfs/dbraw/zinc/80/84/37/570808437.db2.gz QXMJVFUIPOIODY-UHFFFAOYSA-N 0 0 380.347 4.035 50 10 GICARN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000004690476 570839570 /nfs/dbraw/zinc/83/95/70/570839570.db2.gz CDGSVDOSYPJPHC-BOPFTXTBSA-N 0 0 399.493 4.054 50 10 GICARN CCc1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC000007423533 570840911 /nfs/dbraw/zinc/84/09/11/570840911.db2.gz GUVQZIVBFOYDOJ-UHFFFAOYSA-N 0 0 381.501 4.389 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1 ZINC000007423732 570841361 /nfs/dbraw/zinc/84/13/61/570841361.db2.gz OKQRPZHITZDQQV-UHFFFAOYSA-N 0 0 387.892 4.480 50 10 GICARN O=C1[C@H](Cc2ccc(Br)cc2)SC(=S)N1c1ccccc1 ZINC000003346348 570859520 /nfs/dbraw/zinc/85/95/20/570859520.db2.gz CLERKMUOMSJPOV-AWEZNQCLSA-N 0 0 378.316 4.425 50 10 GICARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc2c(c1)OCO2 ZINC000102907272 570870824 /nfs/dbraw/zinc/87/08/24/570870824.db2.gz LTXISQBKRVUWGH-WZONZLPQSA-N 0 0 386.407 4.363 50 10 GICARN Cc1cc(C)c(C(=O)Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1 ZINC000004551247 570873671 /nfs/dbraw/zinc/87/36/71/570873671.db2.gz YUVQDRJCFHOKFD-UHFFFAOYSA-N 0 0 384.435 4.222 50 10 GICARN COc1ccc(-c2cc(=O)oc3c(C)c([O-])c(C[NH+]4CCCCC4)cc23)cc1 ZINC000002149951 570972158 /nfs/dbraw/zinc/97/21/58/570972158.db2.gz BLANFVODHDUYNY-UHFFFAOYSA-N 0 0 379.456 4.469 50 10 GICARN Cc1cccc([C@H]2CC(c3ccccc3O)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000252491702 570973968 /nfs/dbraw/zinc/97/39/68/570973968.db2.gz LRDQDCUHFQTAJN-OAQYLSRUSA-N 0 0 392.480 4.241 50 10 GICARN CCOC(=O)c1c(C)oc2c1c(C[NH+]1C[C@@H](C)O[C@H](C)C1)c([O-])c1ccccc21 ZINC000023224598 570987922 /nfs/dbraw/zinc/98/79/22/570987922.db2.gz VNYPUKLNLDKLDW-ZIAGYGMSSA-N 0 0 397.471 4.386 50 10 GICARN Cc1cc(C(=O)Nc2ccc(N3CCCC3)cn2)c(C)n1-c1ccccc1F ZINC000084081332 570996069 /nfs/dbraw/zinc/99/60/69/570996069.db2.gz MCCPTOCAAWHLHN-UHFFFAOYSA-N 0 0 378.451 4.481 50 10 GICARN CC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002285187 817382722 /nfs/dbraw/zinc/38/27/22/817382722.db2.gz KRJYEIQXUHISDQ-KAMYIIQDSA-N 0 0 396.965 4.236 50 10 GICARN CCCCNC(=O)CCCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S ZINC000002431023 817389022 /nfs/dbraw/zinc/38/90/22/817389022.db2.gz SKUJTDAKVMONED-VKAVYKQESA-N 0 0 390.574 4.147 50 10 GICARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000020037241 818611334 /nfs/dbraw/zinc/61/13/34/818611334.db2.gz NFRMDHZQISTKOW-JBTTYCITSA-N 0 0 380.448 4.400 50 10 GICARN Cc1cc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000040049989 821127914 /nfs/dbraw/zinc/12/79/14/821127914.db2.gz QAWUANRAOKDGET-UHFFFAOYSA-N 0 0 389.499 4.034 50 10 GICARN COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000010215925 212238829 /nfs/dbraw/zinc/23/88/29/212238829.db2.gz NFYACXHBDUDVSM-WMZHIEFXSA-N 0 0 387.439 4.347 50 10 GICARN Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000001417252 212243370 /nfs/dbraw/zinc/24/33/70/212243370.db2.gz INJOHHCAUJSBDY-GZTJUZNOSA-N 0 0 393.493 4.023 50 10 GICARN CCc1ccccc1NC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001267959 212233977 /nfs/dbraw/zinc/23/39/77/212233977.db2.gz XKLXTJDLYXACJD-GDNBJRDFSA-N 0 0 388.539 4.150 50 10 GICARN CCc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000001238385 212231842 /nfs/dbraw/zinc/23/18/42/212231842.db2.gz GVGNORRYYWQZMR-SFQUDFHCSA-N 0 0 383.494 4.441 50 10 GICARN O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1 ZINC000001197704 212228225 /nfs/dbraw/zinc/22/82/25/212228225.db2.gz CLVUXPMGRSDELA-VKAVYKQESA-N 0 0 382.510 4.307 50 10 GICARN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1cccc(Cl)c1 ZINC000001169385 212224940 /nfs/dbraw/zinc/22/49/40/212224940.db2.gz FMSBOLKMIUHEDU-OQLLNIDSSA-N 0 0 391.901 4.416 50 10 GICARN O=C(COc1ccccc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000009449254 212190576 /nfs/dbraw/zinc/19/05/76/212190576.db2.gz OOEBFFAWLQYCLI-UHFFFAOYSA-N 0 0 391.810 4.133 50 10 GICARN Cc1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)o1 ZINC000032666881 212110543 /nfs/dbraw/zinc/11/05/43/212110543.db2.gz DLUHYUOBZSOFLH-PYDVBCTCSA-N 0 0 382.470 4.098 50 10 GICARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4Cl)S3)CC2)cc1 ZINC000002349341 220526343 /nfs/dbraw/zinc/52/63/43/220526343.db2.gz WBZTXLHJPKDNBS-RGEXLXHISA-N 0 0 397.931 4.441 50 10 GICARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(OCc2ccccc2)c1 ZINC000004501776 220722909 /nfs/dbraw/zinc/72/29/09/220722909.db2.gz MZHJFIZMWRWVEU-UHFFFAOYSA-N 0 0 378.424 4.409 50 10 GICARN CCSC1=NSC2=NC(=O)/C(=C\c3c(C)[nH]c4ccc(C)cc43)C(=N)N12 ZINC000004825861 220770993 /nfs/dbraw/zinc/77/09/93/220770993.db2.gz HWZVYTNEHNQSCE-SBPWCSLQSA-N 0 0 383.502 4.115 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(NC(=O)Cc3ccccc3)cc2)SC1=S ZINC000005523618 220880153 /nfs/dbraw/zinc/88/01/53/220880153.db2.gz IKKQWWCURCIARX-SFQUDFHCSA-N 0 0 382.510 4.089 50 10 GICARN COc1ccc(CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1OC ZINC000006009312 220911974 /nfs/dbraw/zinc/91/19/74/220911974.db2.gz UJKDKBHABYLPRW-QGOAFFKASA-N 0 0 385.510 4.148 50 10 GICARN COc1ccc(CCN2C(=O)/C(=C/[C@@H]3CC=CCC3)SC2=S)cc1OC ZINC000006007210 220912210 /nfs/dbraw/zinc/91/22/10/220912210.db2.gz WABBBGADLAEADC-VVTMIQRTSA-N 0 0 389.542 4.347 50 10 GICARN COCCNc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006738025 220956326 /nfs/dbraw/zinc/95/63/26/220956326.db2.gz NTLCOOQTHMCJSQ-UHFFFAOYSA-N 0 0 391.471 4.478 50 10 GICARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C)n3C3CC3)c2C)cc1 ZINC000006993321 220982061 /nfs/dbraw/zinc/98/20/61/220982061.db2.gz MBVKVOMUJRQTOW-UHFFFAOYSA-N 0 0 396.516 4.313 50 10 GICARN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(-c3csc(C)n3)c2C)c1 ZINC000007763276 221009725 /nfs/dbraw/zinc/00/97/25/221009725.db2.gz ISCYQACPSAHKBA-UHFFFAOYSA-N 0 0 384.457 4.099 50 10 GICARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(OC)c2O)cc1 ZINC000007883872 221016164 /nfs/dbraw/zinc/01/61/64/221016164.db2.gz PCUGUOHFSQVUEP-NRFANRHFSA-N 0 0 376.412 4.181 50 10 GICARN CCc1ccc(-c2nc(CN(CCC(N)=O)c3ccc(OC)cc3)cs2)cc1 ZINC000008705874 221050882 /nfs/dbraw/zinc/05/08/82/221050882.db2.gz LCIBARQDACPCQE-UHFFFAOYSA-N 0 0 395.528 4.263 50 10 GICARN O=C1NC(=Cc2cccn2-c2ccc(O)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000009087225 221069864 /nfs/dbraw/zinc/06/98/64/221069864.db2.gz NWCAXWDKIMYGNI-LDADJPATSA-N 0 0 379.803 4.138 50 10 GICARN Cc1cc(CNC(=O)Nc2ccc3c(c2)OCO3)c(C)n1-c1cccc(C)c1 ZINC000009228779 221074508 /nfs/dbraw/zinc/07/45/08/221074508.db2.gz IEASGPHMGZTUIT-UHFFFAOYSA-N 0 0 377.444 4.453 50 10 GICARN COc1ccc(OC)c(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000009228842 221075112 /nfs/dbraw/zinc/07/51/12/221075112.db2.gz ORTGOSUBZBSKMG-UHFFFAOYSA-N 0 0 379.460 4.433 50 10 GICARN O=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000009260612 221075646 /nfs/dbraw/zinc/07/56/46/221075646.db2.gz NNFVNTKHCLQXMJ-CPNJWEJPSA-N 0 0 381.863 4.033 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000010887953 221108784 /nfs/dbraw/zinc/10/87/84/221108784.db2.gz VSMQBHFGSDXZRS-UHFFFAOYSA-N 0 0 387.483 4.373 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O ZINC000013615126 221277413 /nfs/dbraw/zinc/27/74/13/221277413.db2.gz WCKDAASSQMXJGK-YBEGLDIGSA-N 0 0 375.446 4.336 50 10 GICARN Cc1cc2c(c(Br)c1)NC(=O)/C2=C1/SC(c2ccccc2)=NC1=O ZINC000013517217 221270120 /nfs/dbraw/zinc/27/01/20/221270120.db2.gz MPBFLGRDBIGFDE-FYWRMAATSA-N 0 0 399.269 4.141 50 10 GICARN Cn1cccc1/C=C1\SC(=S)N(c2cccc(Br)c2)C1=O ZINC000013777023 221287903 /nfs/dbraw/zinc/28/79/03/221287903.db2.gz LVLZNBUNBWIHTQ-LCYFTJDESA-N 0 0 379.304 4.193 50 10 GICARN Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(O)c1O ZINC000015016244 221326387 /nfs/dbraw/zinc/32/63/87/221326387.db2.gz YDGZZKGWZWGXJA-XOBRGWDASA-N 0 0 380.425 4.107 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1Cl ZINC000015010886 221326594 /nfs/dbraw/zinc/32/65/94/221326594.db2.gz MFMYYDAOWZPYRQ-NVNXTCNLSA-N 0 0 376.890 4.145 50 10 GICARN O=C1/C(=C\c2cccs2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000016157570 221358336 /nfs/dbraw/zinc/35/83/36/221358336.db2.gz HQQFAHJRYQPCSO-AQTBWJFISA-N 0 0 375.409 4.491 50 10 GICARN Cc1ccc(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 ZINC000016739414 221368870 /nfs/dbraw/zinc/36/88/70/221368870.db2.gz SENDSESJYCBKBX-HYZSBJHASA-N 0 0 394.521 4.391 50 10 GICARN COc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S ZINC000016695962 221368896 /nfs/dbraw/zinc/36/88/96/221368896.db2.gz FUXIBYMXKRMPPF-LFIBNONCSA-N 0 0 387.482 4.118 50 10 GICARN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(C)cc2)C(C)=C1C(=O)OC ZINC000017167349 221381317 /nfs/dbraw/zinc/38/13/17/221381317.db2.gz LTXKTEYBEVVFTO-RGEXLXHISA-N 0 0 377.440 4.271 50 10 GICARN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)cc1 ZINC000020037313 221468174 /nfs/dbraw/zinc/46/81/74/221468174.db2.gz RDIDWECYMZYKJS-KUOUREISSA-N 0 0 392.484 4.270 50 10 GICARN CC(C)c1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1 ZINC000065096207 136159031 /nfs/dbraw/zinc/15/90/31/136159031.db2.gz JTIWAFPYWGMUPU-UHFFFAOYSA-N 0 0 396.512 4.199 50 10 GICARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Br)o1 ZINC000021963548 136203392 /nfs/dbraw/zinc/20/33/92/136203392.db2.gz GAVZYSSACUKIJU-UHFFFAOYSA-N 0 0 377.282 4.305 50 10 GICARN COC(=O)c1ccc(C=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)o1 ZINC000065487965 222131633 /nfs/dbraw/zinc/13/16/33/222131633.db2.gz NXCQTDZZVFARFR-JYRVWZFOSA-N 0 0 396.346 4.167 50 10 GICARN O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc(Br)cc1 ZINC000071836002 222199485 /nfs/dbraw/zinc/19/94/85/222199485.db2.gz SURQFSKVNYBLKM-UHFFFAOYSA-N 0 0 398.232 4.334 50 10 GICARN CCOc1cccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 ZINC000089269912 222327527 /nfs/dbraw/zinc/32/75/27/222327527.db2.gz UPVSDLPJIJRRTR-IBGZPJMESA-N 0 0 376.412 4.375 50 10 GICARN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000096012620 222371257 /nfs/dbraw/zinc/37/12/57/222371257.db2.gz GKTNQRDAKPZZDD-NSHDSACASA-N 0 0 387.436 4.113 50 10 GICARN CCc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000019842371 570225147 /nfs/dbraw/zinc/22/51/47/570225147.db2.gz JCMYDASRZYZTPY-PGMHBOJBSA-N 0 0 391.540 4.037 50 10 GICARN CCCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O ZINC000004817567 570238190 /nfs/dbraw/zinc/23/81/90/570238190.db2.gz VVRFQSOMYLFRRY-OAQYLSRUSA-N 0 0 394.471 4.353 50 10 GICARN COc1ccc(N2C(=O)/C(=C(\C)c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000001164519 570252353 /nfs/dbraw/zinc/25/23/53/570252353.db2.gz JWARURZKFDQGKI-WJDWOHSUSA-N 0 0 386.454 4.399 50 10 GICARN CC[C@H]1CCCCN1/C=C1/SC(=S)N(c2cc(OC)ccc2OC)C1=O ZINC000020581322 570268876 /nfs/dbraw/zinc/26/88/76/570268876.db2.gz KFBLXWSYPZRTTN-VLURKWGBSA-N 0 0 392.546 4.174 50 10 GICARN COc1ccc(N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)cc1 ZINC000020722075 570276375 /nfs/dbraw/zinc/27/63/75/570276375.db2.gz QATJEADLLZVZCI-UHFFFAOYSA-N 0 0 380.879 4.132 50 10 GICARN COc1ccc(C=C2SC(=S)NC2=O)cc1OCc1ccc(Cl)cc1 ZINC000022130556 570306106 /nfs/dbraw/zinc/30/61/06/570306106.db2.gz HAKWHYMIVPBZFS-CXUHLZMHSA-N 0 0 391.901 4.416 50 10 GICARN CCOC(=O)c1c(C)nc2c(c1-c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1-2 ZINC000002865721 570312610 /nfs/dbraw/zinc/31/26/10/570312610.db2.gz BRIHCVRGMJESDK-UHFFFAOYSA-N 0 0 388.379 4.353 50 10 GICARN Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1 ZINC000033458144 570351850 /nfs/dbraw/zinc/35/18/50/570351850.db2.gz RRJNRIOPOQRFHS-WQRHYEAKSA-N 0 0 392.846 4.240 50 10 GICARN Cc1ccc(C2=N/C(=C/c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1C ZINC000006267272 570354409 /nfs/dbraw/zinc/35/44/09/570354409.db2.gz SZXUKNXVHQXUOP-LDADJPATSA-N 0 0 391.427 4.156 50 10 GICARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000004471239 570376190 /nfs/dbraw/zinc/37/61/90/570376190.db2.gz DDRQSAAJQGSWHN-PZAFVPBJSA-N 0 0 380.494 4.179 50 10 GICARN CCOC(=O)c1cccc(N2C(=O)/C(=C\c3cccs3)SC2=S)c1 ZINC000004482845 570377712 /nfs/dbraw/zinc/37/77/12/570377712.db2.gz GOTIOVLVZXDCFM-GXDHUFHOSA-N 0 0 375.496 4.331 50 10 GICARN O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=S)N1c1ccccc1 ZINC000033692356 570398633 /nfs/dbraw/zinc/39/86/33/570398633.db2.gz IGIJFELDKBVYJO-CHHVJCJISA-N 0 0 375.858 4.475 50 10 GICARN N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000005035158 570403584 /nfs/dbraw/zinc/40/35/84/570403584.db2.gz YVIHDTXUSXQJEE-BHBBQXGTSA-N 0 0 399.431 4.097 50 10 GICARN O=[N+]([O-])c1cc(Cl)c(/N=N/c2ccc(N(CCO)CCO)cc2)c(Cl)c1 ZINC000004774544 570404590 /nfs/dbraw/zinc/40/45/90/570404590.db2.gz QODYUYUFBSECEG-FMQUCBEESA-N 0 0 399.234 4.108 50 10 GICARN CN(C)c1ccc(CN(C(=O)COc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000028288122 570454668 /nfs/dbraw/zinc/45/46/68/570454668.db2.gz CUMSHOBACNQFQD-UHFFFAOYSA-N 0 0 395.890 4.413 50 10 GICARN CCCOC(=O)c1ccc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)cc1 ZINC000006398339 570479088 /nfs/dbraw/zinc/47/90/88/570479088.db2.gz KMGFLKDTPJTFAE-UYRXBGFRSA-N 0 0 381.407 4.111 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3c(C)cccc3CC)C2=N)S1 ZINC000032964080 570547709 /nfs/dbraw/zinc/54/77/09/570547709.db2.gz WLWDEQURYBPVOU-KBQFJHCTSA-N 0 0 391.500 4.377 50 10 GICARN COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000006721755 570550371 /nfs/dbraw/zinc/55/03/71/570550371.db2.gz JFJJWMWSKHJBSG-WMZHIEFXSA-N 0 0 387.439 4.347 50 10 GICARN COCCNc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006738026 570562443 /nfs/dbraw/zinc/56/24/43/570562443.db2.gz IYLNZNCCBAFXMU-UHFFFAOYSA-N 0 0 377.444 4.088 50 10 GICARN Cc1ccccc1NC(=O)[C@]1(c2ccc(N(C)C)cc2)CC(=O)N1c1ccccc1 ZINC000005452089 570597664 /nfs/dbraw/zinc/59/76/64/570597664.db2.gz VVKDLOOBOUUOGU-RUZDIDTESA-N 0 0 399.494 4.332 50 10 GICARN CN(C)c1ccc(CN(C)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 ZINC000036390994 570673759 /nfs/dbraw/zinc/67/37/59/570673759.db2.gz HSLYKTBRFJNISU-UHFFFAOYSA-N 0 0 398.510 4.219 50 10 GICARN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)SC1=S ZINC000006026457 570737180 /nfs/dbraw/zinc/73/71/80/570737180.db2.gz ZXQBFZHOTRVJJA-SXGWCWSVSA-N 0 0 387.486 4.223 50 10 GICARN COc1ccccc1[C@H](NC(=O)c1ccccc1)c1ccc2cccnc2c1O ZINC000001209705 570794039 /nfs/dbraw/zinc/79/40/39/570794039.db2.gz HZDPJEOGRSUVDG-QFIPXVFZSA-N 0 0 384.435 4.468 50 10 GICARN CCCN1C(=O)N=NC1S[C@@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000005971777 570810573 /nfs/dbraw/zinc/81/05/73/570810573.db2.gz NMQSOKXXPISKHZ-HNNXBMFYSA-N 0 0 384.505 4.165 50 10 GICARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000007179202 570810604 /nfs/dbraw/zinc/81/06/04/570810604.db2.gz AXFQAYYHNXMEID-UHFFFAOYSA-N 0 0 392.528 4.418 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)cc3F)n2C)cc1 ZINC000007423629 570841345 /nfs/dbraw/zinc/84/13/45/570841345.db2.gz DXHINYIROATENM-UHFFFAOYSA-N 0 0 389.427 4.105 50 10 GICARN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 ZINC000004536576 570847070 /nfs/dbraw/zinc/84/70/70/570847070.db2.gz OWTVMWSELGSNIW-FOWTUZBSSA-N 0 0 386.498 4.208 50 10 GICARN O=C(CSc1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004564172 570891331 /nfs/dbraw/zinc/89/13/31/570891331.db2.gz XZOMGDRCABMDMH-UHFFFAOYSA-N 0 0 391.423 4.332 50 10 GICARN O=C1NC(=S)S/C1=C\c1cn(CCOc2ccccc2)c2ccccc12 ZINC000001251096 570950155 /nfs/dbraw/zinc/95/01/55/570950155.db2.gz QFAQZZLXKPSCKT-PDGQHHTCSA-N 0 0 380.494 4.209 50 10 GICARN CN(C)c1ccc(CNC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033278936 570953268 /nfs/dbraw/zinc/95/32/68/570953268.db2.gz FZBUPWPOCUIPJY-UHFFFAOYSA-N 0 0 398.466 4.400 50 10 GICARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1c(C)cccc1C ZINC000002120796 570956002 /nfs/dbraw/zinc/95/60/02/570956002.db2.gz MYUIREDTJAXECD-BKUYFWCQSA-N 0 0 399.519 4.481 50 10 GICARN Cc1ccc(O)c(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)c1 ZINC000019325092 570974689 /nfs/dbraw/zinc/97/46/89/570974689.db2.gz BMCWGVPSBWWODF-UHFFFAOYSA-N 0 0 390.483 4.128 50 10 GICARN C[C@@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1cnn(C)c1 ZINC000170654493 570999989 /nfs/dbraw/zinc/99/99/89/570999989.db2.gz SRRNEVOMLLXHFZ-WAIKUNEKSA-N 0 0 385.467 4.288 50 10 GICARN CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000002239774 817380968 /nfs/dbraw/zinc/38/09/68/817380968.db2.gz SQKCAUSSKMYQSI-PEZBUJJGSA-N 0 0 377.531 4.401 50 10 GICARN O=C(NCCc1ccc(F)cc1)c1ccc2c3c1noc3-c1ccccc1C2=O ZINC000002296744 817382972 /nfs/dbraw/zinc/38/29/72/817382972.db2.gz SVHBKMIBWJJIPS-UHFFFAOYSA-N 0 0 386.382 4.151 50 10 GICARN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000002648501 817396402 /nfs/dbraw/zinc/39/64/02/817396402.db2.gz RKCNFLXBXFQVSO-UNOMPAQXSA-N 0 0 395.480 4.294 50 10 GICARN Cc1cc(C(=O)CSc2nnc3ccccn32)c(C)n1-c1ccc(F)cc1 ZINC000002886697 817404053 /nfs/dbraw/zinc/40/40/53/817404053.db2.gz MAIUTMLIMNHAMB-UHFFFAOYSA-N 0 0 380.448 4.251 50 10 GICARN Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003294433 817433115 /nfs/dbraw/zinc/43/31/15/817433115.db2.gz BAKCMECKFPNDQZ-UHFFFAOYSA-N 0 0 389.354 4.328 50 10 GICARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000004150600 817506873 /nfs/dbraw/zinc/50/68/73/817506873.db2.gz BVYWRBJKXGMGSM-PQOWSYMHSA-N 0 0 380.448 4.400 50 10 GICARN COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004199903 817509788 /nfs/dbraw/zinc/50/97/88/817509788.db2.gz WTGRLGCHWTUYKT-GJYPPUQNSA-N 0 0 380.400 4.217 50 10 GICARN CC(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3 ZINC000019852756 818606790 /nfs/dbraw/zinc/60/67/90/818606790.db2.gz LNMNSBSQRQKTNQ-UHFFFAOYSA-N 0 0 387.530 4.160 50 10 GICARN Oc1c([C@H](c2ccc(Br)cc2)N2CCOCC2)ccc2cccnc21 ZINC000021554799 818703031 /nfs/dbraw/zinc/70/30/31/818703031.db2.gz SNCXLSBVBJAJHM-IBGZPJMESA-N 0 0 399.288 4.125 50 10 GICARN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 ZINC000027549449 820259190 /nfs/dbraw/zinc/25/91/90/820259190.db2.gz VCAJNHLZTVXLPL-MWSJVPHRSA-N 0 0 383.521 4.198 50 10 GICARN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCC1 ZINC000001805184 212257071 /nfs/dbraw/zinc/25/70/71/212257071.db2.gz ALIDXMLQMVWIFI-FYWRMAATSA-N 0 0 394.587 4.132 50 10 GICARN COC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000001768467 212256290 /nfs/dbraw/zinc/25/62/90/212256290.db2.gz OXUIQLRFLIUHTR-KAMYIIQDSA-N 0 0 383.922 4.275 50 10 GICARN O=[N+]([O-])c1ccc(F)cc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000001423380 212243389 /nfs/dbraw/zinc/24/33/89/212243389.db2.gz ZAMPITOFNKZJNW-UHFFFAOYSA-N 0 0 380.335 4.154 50 10 GICARN O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccc(Cl)cc1 ZINC000001243723 212231977 /nfs/dbraw/zinc/23/19/77/212231977.db2.gz KYBDXMNHPOVONL-NTEUORMPSA-N 0 0 392.864 4.025 50 10 GICARN CC(=O)c1ccc(-c2ccc(C=C3C(=O)OC(C)(C(C)(C)C)OC3=O)o2)cc1 ZINC000001185111 212226681 /nfs/dbraw/zinc/22/66/81/212226681.db2.gz KNLUPWCCHORXPO-UHFFFAOYSA-N 0 0 382.412 4.395 50 10 GICARN O=C1/C(=C/c2ccco2)C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1 ZINC000000711961 212177178 /nfs/dbraw/zinc/17/71/78/212177178.db2.gz ZXLRHHAEQBVAQO-RGEXLXHISA-N 0 0 388.448 4.024 50 10 GICARN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC2CCCCC2)cc1 ZINC000000666462 212170932 /nfs/dbraw/zinc/17/09/32/212170932.db2.gz IUTDZODIHZVCQP-OAQYLSRUSA-N 0 0 399.535 4.284 50 10 GICARN COc1ccc(C2(Cc3nc4ccccc4[nH]3)C(=O)c3ccccc3C2=O)cc1 ZINC000000631114 212167587 /nfs/dbraw/zinc/16/75/87/212167587.db2.gz VPMMGWBOTMJHSC-UHFFFAOYSA-N 0 0 382.419 4.131 50 10 GICARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(Oc3ccc(OC)cc3)c(C)oc21 ZINC000020358375 212150890 /nfs/dbraw/zinc/15/08/90/212150890.db2.gz KYCKSGJSQLDSLA-UHFFFAOYSA-N 0 0 383.444 4.450 50 10 GICARN COc1ccc(-c2cc3ccc([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c3oc2=O)cc1 ZINC000001317658 212144683 /nfs/dbraw/zinc/14/46/83/212144683.db2.gz SKJUBGSUKIYEJM-OAHLLOKOSA-N 0 0 379.456 4.406 50 10 GICARN COc1ccc(-c2cc3ccc([O-])c(C[NH+]4CCC(C)CC4)c3oc2=O)cc1 ZINC000001317656 212144078 /nfs/dbraw/zinc/14/40/78/212144078.db2.gz OFZJPXUKWREGPU-UHFFFAOYSA-N 0 0 379.456 4.406 50 10 GICARN CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S ZINC000061002264 212132784 /nfs/dbraw/zinc/13/27/84/212132784.db2.gz BDBZRQVRHIFITB-NTUHNPAUSA-N 0 0 380.834 4.339 50 10 GICARN O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1 ZINC000001298818 220484800 /nfs/dbraw/zinc/48/48/00/220484800.db2.gz ICDCQPCOQOOGEQ-GHRIWEEISA-N 0 0 398.509 4.012 50 10 GICARN Cc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)c(C)n1-c1ccccc1 ZINC000003250725 220616144 /nfs/dbraw/zinc/61/61/44/220616144.db2.gz CJFCFZMBVFVAKW-UHFFFAOYSA-N 0 0 384.382 4.168 50 10 GICARN CN1C(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000004678960 220745182 /nfs/dbraw/zinc/74/51/82/220745182.db2.gz QRLQRDGDQZCYTB-MHWRWJLKSA-N 0 0 386.454 4.005 50 10 GICARN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000004675404 220745360 /nfs/dbraw/zinc/74/53/60/220745360.db2.gz ZMNHEMTURZWWFV-ZHZULCJRSA-N 0 0 394.496 4.068 50 10 GICARN COc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)ccc1O ZINC000004690135 220748091 /nfs/dbraw/zinc/74/80/91/220748091.db2.gz PZQYGJMSAJFZDR-AQTBWJFISA-N 0 0 385.510 4.235 50 10 GICARN CN1C(=O)C(=Cc2ccc(Sc3cccc4ccccc43)o2)C(=O)N(C)C1=O ZINC000005025755 220812655 /nfs/dbraw/zinc/81/26/55/220812655.db2.gz SLJOEMAWPNBYKA-UHFFFAOYSA-N 0 0 392.436 4.018 50 10 GICARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=N)S1 ZINC000005195490 220843531 /nfs/dbraw/zinc/84/35/31/220843531.db2.gz OXJOGPDVJHEHMX-JNADWCBDSA-N 0 0 395.463 4.262 50 10 GICARN O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccccc1Cl ZINC000005477821 220874707 /nfs/dbraw/zinc/87/47/07/220874707.db2.gz ANDJBEKHKKRRAO-OXTPFRESSA-N 0 0 390.873 4.035 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 ZINC000007423520 220996500 /nfs/dbraw/zinc/99/65/00/220996500.db2.gz BTPVEYCKXWDJSU-UHFFFAOYSA-N 0 0 381.501 4.443 50 10 GICARN COc1ccccc1C(=O)COC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000007779568 221011774 /nfs/dbraw/zinc/01/17/74/221011774.db2.gz AHANDUQPXHEEGR-UHFFFAOYSA-N 0 0 377.440 4.451 50 10 GICARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3o2)cc1 ZINC000008342360 221038182 /nfs/dbraw/zinc/03/81/82/221038182.db2.gz BNFWUJZDURYFHN-FQEVSTJZSA-N 0 0 378.472 4.320 50 10 GICARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(OC)c2O)cc1 ZINC000007883870 221016269 /nfs/dbraw/zinc/01/62/69/221016269.db2.gz PCUGUOHFSQVUEP-OAQYLSRUSA-N 0 0 376.412 4.181 50 10 GICARN O=C1/C(=C\C=C\c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccccc1 ZINC000009194920 221073254 /nfs/dbraw/zinc/07/32/54/221073254.db2.gz DVQMQKPBUKPKQD-FLGOTCTISA-N 0 0 381.478 4.373 50 10 GICARN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000009379250 221078697 /nfs/dbraw/zinc/07/86/97/221078697.db2.gz HTWZEWFITNDIHI-SFHVURJKSA-N 0 0 385.471 4.166 50 10 GICARN COc1ccc2c(c1)CCCN2CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000011419839 221116492 /nfs/dbraw/zinc/11/64/92/221116492.db2.gz OSCCUCKMJNMTQU-HSZRJFAPSA-N 0 0 392.524 4.415 50 10 GICARN Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3c(C)cccc3C)sc2n1 ZINC000012551507 221204610 /nfs/dbraw/zinc/20/46/10/221204610.db2.gz CKLFOUNTUUOMNC-AWEZNQCLSA-N 0 0 397.500 4.296 50 10 GICARN CCc1ccc2c(c1)c(C)c(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C ZINC000012652682 221216947 /nfs/dbraw/zinc/21/69/47/221216947.db2.gz HKLMCAWMIPEAFM-UHFFFAOYSA-N 0 0 391.515 4.020 50 10 GICARN Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cccnc1 ZINC000013482927 221270537 /nfs/dbraw/zinc/27/05/37/221270537.db2.gz MZDORSSHNSEDHI-ZDLGFXPLSA-N 0 0 395.509 4.484 50 10 aggregator GICARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1O ZINC000013686973 221281121 /nfs/dbraw/zinc/28/11/21/221281121.db2.gz JODHEPSOPJRJBT-SXGWCWSVSA-N 0 0 375.446 4.336 50 10 GICARN O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccccc1Cl ZINC000014011385 221296275 /nfs/dbraw/zinc/29/62/75/221296275.db2.gz QQGGVFYNPGQFKE-ZHZULCJRSA-N 0 0 395.890 4.423 50 10 GICARN Cc1ccc(N2CC(=O)N(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000015413066 221336141 /nfs/dbraw/zinc/33/61/41/221336141.db2.gz PYSJKJQOQIRJGE-XMMPIXPASA-N 0 0 399.494 4.182 50 10 GICARN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1 ZINC000015011183 221326227 /nfs/dbraw/zinc/32/62/27/221326227.db2.gz VQZOZQLPLMDDCI-JXAWBTAJSA-N 0 0 397.521 4.307 50 10 GICARN Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(O)c1O ZINC000015016247 221326520 /nfs/dbraw/zinc/32/65/20/221326520.db2.gz YDGZZKGWZWGXJA-JLTOFOAXSA-N 0 0 380.425 4.107 50 10 GICARN Cc1cccc(C)c1OCCOc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000015800409 221345312 /nfs/dbraw/zinc/34/53/12/221345312.db2.gz RDRISQMVVMJHAH-ATVHPVEESA-N 0 0 385.510 4.250 50 10 GICARN COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc(OC)c1OC ZINC000016666186 221368313 /nfs/dbraw/zinc/36/83/13/221368313.db2.gz PFNFFNUHDSAQTP-GZTJUZNOSA-N 0 0 384.457 4.103 50 10 GICARN Cc1cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)n1-c1ccccc1 ZINC000016046705 221355996 /nfs/dbraw/zinc/35/59/96/221355996.db2.gz KLJDUTGVKURNLP-JOCHJYFZSA-N 0 0 388.467 4.271 50 10 GICARN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000017150207 221379718 /nfs/dbraw/zinc/37/97/18/221379718.db2.gz LQCPDDVRXXHWSI-UNOMPAQXSA-N 0 0 378.472 4.013 50 10 GICARN COc1ccc(N2CCN(Cc3csc(-c4ccccc4OC)n3)CC2)cc1 ZINC000058127042 136154329 /nfs/dbraw/zinc/15/43/29/136154329.db2.gz QNOAJYLPSAGRNE-UHFFFAOYSA-N 0 0 395.528 4.150 50 10 GICARN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000058770010 136155738 /nfs/dbraw/zinc/15/57/38/136155738.db2.gz XZLJJLDVROKWQZ-UHFFFAOYSA-N 0 0 379.435 4.102 50 10 GICARN Cc1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)n1-c1ccc(F)cc1 ZINC000027063872 221650015 /nfs/dbraw/zinc/65/00/15/221650015.db2.gz ZJVOIVQGYZFLOK-UHFFFAOYSA-N 0 0 392.352 4.297 50 10 GICARN Fc1ccccc1-c1nnc2ccc(NCc3ccc(N4CCCC4)cc3)nn21 ZINC000057138402 222030715 /nfs/dbraw/zinc/03/07/15/222030715.db2.gz GHLIOVBCVIUUCC-UHFFFAOYSA-N 0 0 388.450 4.143 50 10 GICARN COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)c2C)c1 ZINC000049593147 222000402 /nfs/dbraw/zinc/00/04/02/222000402.db2.gz VNPAOKJSQCEZRS-JVFLSJDDSA-N 0 0 392.484 4.270 50 10 GICARN COc1ccc2c3ccc(OCC(=O)N(C)C4CCCCC4)cc3oc(=O)c2c1 ZINC000054278292 222013838 /nfs/dbraw/zinc/01/38/38/222013838.db2.gz BKMXZCPSDYPWAQ-UHFFFAOYSA-N 0 0 395.455 4.125 50 10 GICARN CCOC(=O)c1c2cc(OC)c(-c3cccnc3)cc2n(C)c1-c1cccnc1 ZINC000085393740 222322772 /nfs/dbraw/zinc/32/27/72/222322772.db2.gz ANNRAAKGPJGGNN-UHFFFAOYSA-N 0 0 387.439 4.488 50 10 GICARN O=C(c1ccncc1)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccccc1O ZINC000095946313 222363005 /nfs/dbraw/zinc/36/30/05/222363005.db2.gz DBRQBETZLHSYDL-LJQANCHMSA-N 0 0 377.831 4.432 50 10 GICARN CCCOC(=O)CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S ZINC000006073049 570234619 /nfs/dbraw/zinc/23/46/19/570234619.db2.gz JYWSCHSDAPMKDG-RVDMUPIBSA-N 0 0 377.531 4.139 50 10 GICARN COc1cc2c(cc1/C=C1\SC(=S)N(CCC3CCCC3)C1=O)OCO2 ZINC000001133689 570246554 /nfs/dbraw/zinc/24/65/54/570246554.db2.gz ULCPBJAVKBPFAV-MFOYZWKCSA-N 0 0 391.514 4.205 50 10 GICARN CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000001153192 570249621 /nfs/dbraw/zinc/24/96/21/570249621.db2.gz GXMZDTZWIGKZBI-UHFFFAOYSA-N 0 0 383.300 4.093 50 10 GICARN C[C@@H](COc1ccccc1)COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000001180841 570255088 /nfs/dbraw/zinc/25/50/88/570255088.db2.gz MYVXVSGTKLSJEO-BGARDKSCSA-N 0 0 385.510 4.269 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000100368592 570271498 /nfs/dbraw/zinc/27/14/98/570271498.db2.gz IWWKFGWZXLUTNV-BKUYFWCQSA-N 0 0 392.414 4.268 50 10 GICARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1ccc(O)cc1 ZINC000100423329 570271999 /nfs/dbraw/zinc/27/19/99/570271999.db2.gz ZEUYORVGOJQAFA-QNGOZBTKSA-N 0 0 381.451 4.140 50 10 GICARN COc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1OC ZINC000022033976 570319480 /nfs/dbraw/zinc/31/94/80/570319480.db2.gz NMMWTYCADDDYRZ-ZROIWOOFSA-N 0 0 387.229 4.448 50 10 GICARN Nc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC000023332357 570319676 /nfs/dbraw/zinc/31/96/76/570319676.db2.gz FGJAUZHTDZMZQS-UHFFFAOYSA-N 0 0 382.467 4.298 50 10 GICARN Cc1ccc(OCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000002961100 570320473 /nfs/dbraw/zinc/32/04/73/570320473.db2.gz YJVWAXJYVRPXEB-QGOAFFKASA-N 0 0 385.510 4.284 50 10 GICARN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000016268604 570321619 /nfs/dbraw/zinc/32/16/19/570321619.db2.gz KTRSLEQHRRELEV-MOSHPQCFSA-N 0 0 378.472 4.175 50 10 GICARN CC(C)OC(=O)c1c2cc3ccccc3cn2c2c1C(=O)c1ccccc1C2=O ZINC000003635772 570349196 /nfs/dbraw/zinc/34/91/96/570349196.db2.gz AHZSSRGHDDBAAF-UHFFFAOYSA-N 0 0 383.403 4.433 50 10 GICARN CCCCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000003879092 570352905 /nfs/dbraw/zinc/35/29/05/570352905.db2.gz FOTIZOCKJLIVLE-LJQANCHMSA-N 0 0 389.565 4.059 50 10 GICARN CCCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O ZINC000004903384 570360810 /nfs/dbraw/zinc/36/08/10/570360810.db2.gz QFCCYBSDVVCERY-OAQYLSRUSA-N 0 0 377.488 4.402 50 10 GICARN O=C1NC(=Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000004498324 570379360 /nfs/dbraw/zinc/37/93/60/570379360.db2.gz CSJJDSOPIGTYDO-CPNJWEJPSA-N 0 0 381.863 4.428 50 10 GICARN COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1Cl ZINC000004656215 570390008 /nfs/dbraw/zinc/39/00/08/570390008.db2.gz NSQYQBURWXNXJV-UHFFFAOYSA-N 0 0 391.810 4.376 50 10 GICARN COc1ccc(N2CCN(c3csc4ccc(Cl)cc4c3=O)CC2)cc1 ZINC000005087966 570414690 /nfs/dbraw/zinc/41/46/90/570414690.db2.gz SEJHEJXGBVBOIG-UHFFFAOYSA-N 0 0 386.904 4.250 50 10 GICARN O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005093086 570428966 /nfs/dbraw/zinc/42/89/66/570428966.db2.gz SSBPJGZWVQKHEG-UHFFFAOYSA-N 0 0 391.810 4.133 50 10 GICARN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000054035674 570437415 /nfs/dbraw/zinc/43/74/15/570437415.db2.gz KMKSSWWMZCWQAF-UHFFFAOYSA-N 0 0 393.512 4.133 50 10 GICARN COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1O ZINC000028975300 570467212 /nfs/dbraw/zinc/46/72/12/570467212.db2.gz BIRSXGIDAGGHPO-NVNXTCNLSA-N 0 0 377.874 4.460 50 10 GICARN COc1cccc2c1O[C@H](c1ccc(O)cc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721737 570550408 /nfs/dbraw/zinc/55/04/08/570550408.db2.gz AQBZPQHKMNOUDG-AUSIDOKSSA-N 0 0 388.423 4.349 50 10 GICARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1c(C)cccc1C ZINC000005516417 570623784 /nfs/dbraw/zinc/62/37/84/570623784.db2.gz POHTVJGVZWMAPU-YNQUSLBMSA-N 0 0 391.500 4.350 50 10 GICARN O=C(CN1C(=O)SC(=Cc2ccc(N3CCCC3)cc2)C1=O)c1ccccc1 ZINC000004600063 570632982 /nfs/dbraw/zinc/63/29/82/570632982.db2.gz YJZHOJJYIUEDNF-ZHZULCJRSA-N 0 0 392.480 4.206 50 10 GICARN C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000044854842 570636675 /nfs/dbraw/zinc/63/66/75/570636675.db2.gz HLFUTKHNOXZBJE-LJQANCHMSA-N 0 0 388.515 4.413 50 10 GICARN CN1c2ccccc2S[C@@H]2C=CC(CCN3C(=O)c4ccccc4C3=O)=C[C@@H]21 ZINC000048024944 570654902 /nfs/dbraw/zinc/65/49/02/570654902.db2.gz CLJYTWXMEAQEJM-PZJWPPBQSA-N 0 0 388.492 4.148 50 10 GICARN CCOC(=O)c1cc(C)n(-c2ccc(C(=O)N3CCc4ccccc43)cc2)c1C ZINC000006899537 570694275 /nfs/dbraw/zinc/69/42/75/570694275.db2.gz WAFMDLHCXWKZAY-UHFFFAOYSA-N 0 0 388.467 4.474 50 10 GICARN COc1ccc(C=C2SC(=S)NC2=O)cc1COc1ccc(F)cc1F ZINC000001019050 570746287 /nfs/dbraw/zinc/74/62/87/570746287.db2.gz HZUBJZJUTLPSPC-FRKPEAEDSA-N 0 0 393.436 4.041 50 10 GICARN CCCN1C(=O)N=NC1S[C@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000005971779 570810586 /nfs/dbraw/zinc/81/05/86/570810586.db2.gz NMQSOKXXPISKHZ-OAHLLOKOSA-N 0 0 384.505 4.165 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OC)cc1 ZINC000101650830 570828577 /nfs/dbraw/zinc/82/85/77/570828577.db2.gz ZEHKJCAIHSMLMR-XSFVSMFZSA-N 0 0 377.440 4.271 50 10 GICARN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000004703010 570854211 /nfs/dbraw/zinc/85/42/11/570854211.db2.gz PCVHHPIEQKKGHN-PDGQHHTCSA-N 0 0 383.831 4.226 50 10 GICARN CCC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)OCC)c2C(=O)OCC)C1 ZINC000022332882 570886177 /nfs/dbraw/zinc/88/61/77/570886177.db2.gz KWXGIGFNNOHTOT-CYBMUJFWSA-N 0 0 395.521 4.112 50 10 GICARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000103515394 570886159 /nfs/dbraw/zinc/88/61/59/570886159.db2.gz YQZFRFIBNBWANJ-CPNJWEJPSA-N 0 0 381.403 4.102 50 10 GICARN CCN1C(=O)/C(=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)SC1=S ZINC000001120121 570931202 /nfs/dbraw/zinc/93/12/02/570931202.db2.gz XYSNXCPPIGWZCN-ATVHPVEESA-N 0 0 399.493 4.136 50 10 GICARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc3c(c1)OCO3)CO2 ZINC000002123191 570957248 /nfs/dbraw/zinc/95/72/48/570957248.db2.gz WBMSJNANRZXXSP-UHFFFAOYSA-N 0 0 387.391 4.340 50 10 GICARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(Cl)c1 ZINC000004745498 570960329 /nfs/dbraw/zinc/96/03/29/570960329.db2.gz TUACCNDLHWIPIO-GXDHUFHOSA-N 0 0 392.889 4.163 50 10 GICARN C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCCCC1 ZINC000001408340 570985137 /nfs/dbraw/zinc/98/51/37/570985137.db2.gz YTWQZZABALMBDN-SDNWHVSQSA-N 0 0 394.422 4.321 50 10 GICARN CC(=O)c1ccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 ZINC000109200805 570997548 /nfs/dbraw/zinc/99/75/48/570997548.db2.gz LFKAEDWEIQIAOF-WOJGMQOQSA-N 0 0 398.260 4.370 50 10 GICARN C[C@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1cnn(C)c1 ZINC000170654492 571000079 /nfs/dbraw/zinc/00/00/79/571000079.db2.gz SRRNEVOMLLXHFZ-QMHKHESXSA-N 0 0 385.467 4.288 50 10 GICARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 ZINC000000670303 817372833 /nfs/dbraw/zinc/37/28/33/817372833.db2.gz CFESEDJADQPQAE-UHFFFAOYSA-N 0 0 384.295 4.253 50 10 GICARN CC[C@H](C)N1C(=O)C(=Cc2ccc(N3CCCCCC3)cc2)C(=O)NC1=S ZINC000002426550 817388807 /nfs/dbraw/zinc/38/88/07/817388807.db2.gz YJOJILZALHVPAN-JZBMNUFDSA-N 0 0 385.533 4.333 50 10 GICARN COc1ccc(N2CC[C@@H](CNC(=S)Nc3ccc(C)c(Cl)c3)C2)cc1 ZINC000003051049 817415589 /nfs/dbraw/zinc/41/55/89/817415589.db2.gz ZZVXETYRUVLUPI-HNNXBMFYSA-N 0 0 389.952 4.470 50 10 GICARN COc1ccc(N2CC[C@H](CNC(=S)Nc3cccc(Cl)c3C)C2)cc1 ZINC000003051042 817415638 /nfs/dbraw/zinc/41/56/38/817415638.db2.gz PFAXDQNADLIEAM-OAHLLOKOSA-N 0 0 389.952 4.470 50 10 GICARN O=C(NCCc1ccc(O)c(O)c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000003361297 817442553 /nfs/dbraw/zinc/44/25/53/817442553.db2.gz PLJVVCVVLJRJAE-OAQYLSRUSA-N 0 0 379.481 4.290 50 10 GICARN Cc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000003858932 817495052 /nfs/dbraw/zinc/49/50/52/817495052.db2.gz YYWPDQIKZOKJAB-CDLNYGKDSA-N 0 0 376.485 4.488 50 10 GICARN O=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004623056 817533284 /nfs/dbraw/zinc/53/32/84/817533284.db2.gz XJQMXYMMILBMTR-UHFFFAOYSA-N 0 0 392.846 4.153 50 10 GICARN CCc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1 ZINC000007779572 817914006 /nfs/dbraw/zinc/91/40/06/817914006.db2.gz HZYRAOIKLLGPSR-LDADJPATSA-N 0 0 383.494 4.426 50 10 GICARN Cc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000020236534 818617786 /nfs/dbraw/zinc/61/77/86/818617786.db2.gz SDSNJQXPATXEPC-OTHHCBNDSA-N 0 0 380.835 4.198 50 10 GICARN CC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cc(Br)ccc1O ZINC000023279669 818919667 /nfs/dbraw/zinc/91/96/67/818919667.db2.gz GHJLYYGYFMHRER-IBGZPJMESA-N 0 0 385.261 4.130 50 10 GICARN O=C(Nc1cccc2c1CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000040150527 821150109 /nfs/dbraw/zinc/15/01/09/821150109.db2.gz RCMCJVXNABBVLI-LJQANCHMSA-N 0 0 380.488 4.484 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)c(Br)c1 ZINC000001212483 212229186 /nfs/dbraw/zinc/22/91/86/212229186.db2.gz DAVCCPIDTRBITI-WJDWOHSUSA-N 0 0 384.277 4.321 50 10 GICARN COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000001135728 212222449 /nfs/dbraw/zinc/22/24/49/212222449.db2.gz QRGKEIFXCWMQCA-XNTDXEJSSA-N 0 0 378.475 4.137 50 10 GICARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=NOC23C(=O)c2ccccc2C3=O)cc1 ZINC000001034759 212207098 /nfs/dbraw/zinc/20/70/98/212207098.db2.gz KIZFIJFBJMWTAY-FQEVSTJZSA-N 0 0 395.414 4.166 50 10 GICARN CCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 ZINC000000713786 212176795 /nfs/dbraw/zinc/17/67/95/212176795.db2.gz SOMVMIRLNYFBQS-SFHVURJKSA-N 0 0 379.489 4.220 50 10 GICARN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S ZINC000005112129 220831065 /nfs/dbraw/zinc/83/10/65/220831065.db2.gz UDUYEDKGNFBLKO-LDADJPATSA-N 0 0 385.510 4.495 50 10 GICARN Cc1ccccc1NC(=O)[C@@]1(c2ccc(N(C)C)cc2)CC(=O)N1c1ccccc1 ZINC000005452090 220871812 /nfs/dbraw/zinc/87/18/12/220871812.db2.gz VVKDLOOBOUUOGU-VWLOTQADSA-N 0 0 399.494 4.332 50 10 GICARN O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(O)cc1 ZINC000006584138 220942827 /nfs/dbraw/zinc/94/28/27/220942827.db2.gz OXJQXYAFAMKZIN-JLJGJNDSSA-N 0 0 384.438 4.262 50 10 GICARN C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccccc1 ZINC000008023614 221023714 /nfs/dbraw/zinc/02/37/14/221023714.db2.gz FMTBWKOLRDZOJC-WMZHIEFXSA-N 0 0 380.532 4.454 50 10 GICARN Cc1cc(-c2csc(NC(=O)c3cnccn3)n2)c(C)n1-c1ccc(F)cc1 ZINC000009658878 221087330 /nfs/dbraw/zinc/08/73/30/221087330.db2.gz JGHCOFJIXLWUQC-UHFFFAOYSA-N 0 0 393.447 4.399 50 10 GICARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000010907015 221108679 /nfs/dbraw/zinc/10/86/79/221108679.db2.gz IUBGWYSNGZHPGC-UHFFFAOYSA-N 0 0 393.314 4.031 50 10 GICARN Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000012548848 221204818 /nfs/dbraw/zinc/20/48/18/221204818.db2.gz INJOHHCAUJSBDY-BOPFTXTBSA-N 0 0 393.493 4.023 50 10 GICARN O=C1N=C(N2CCCC2)S/C1=C\c1ccc(OCc2ccccc2F)cc1 ZINC000012375535 221186687 /nfs/dbraw/zinc/18/66/87/221186687.db2.gz XXSHYKRZKBSVCB-UYRXBGFRSA-N 0 0 382.460 4.471 50 10 GICARN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=C1\SC(=S)N(CC)C1=O ZINC000012413201 221189985 /nfs/dbraw/zinc/18/99/85/221189985.db2.gz DMYROVPOKAMHLQ-ICFOKQHNSA-N 0 0 398.553 4.382 50 10 GICARN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000012771541 221229050 /nfs/dbraw/zinc/22/90/50/221229050.db2.gz UHPXRVVENISKNH-FQEVSTJZSA-N 0 0 379.529 4.080 50 10 GICARN CC(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000013601315 221276932 /nfs/dbraw/zinc/27/69/32/221276932.db2.gz SWDAURBSOYSTQD-ATVHPVEESA-N 0 0 382.510 4.356 50 10 GICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000013403248 221267717 /nfs/dbraw/zinc/26/77/17/221267717.db2.gz IWWKFGWZXLUTNV-FYJGNVAPSA-N 0 0 392.414 4.268 50 10 GICARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1 ZINC000013786083 221289175 /nfs/dbraw/zinc/28/91/75/221289175.db2.gz GGSCOGVZVMPTFS-LGMDPLHJSA-N 0 0 388.558 4.035 50 10 GICARN COC(=O)c1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000013816199 221290292 /nfs/dbraw/zinc/29/02/92/221290292.db2.gz DGFMSPNSKHGNIQ-OAQYLSRUSA-N 0 0 385.423 4.324 50 10 GICARN COc1cccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)c1 ZINC000013685131 221280891 /nfs/dbraw/zinc/28/08/91/221280891.db2.gz XNCZKVCCNYEBGK-RQZCQDPDSA-N 0 0 379.466 4.044 50 10 GICARN CCCCOc1ccc(N2CCn3c(nc4cc(NC(C)=O)ccc43)C2)cc1 ZINC000013733323 221286127 /nfs/dbraw/zinc/28/61/27/221286127.db2.gz XJHPTFWIWDKIJG-UHFFFAOYSA-N 0 0 378.476 4.194 50 10 GICARN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccccc1 ZINC000013942170 221293377 /nfs/dbraw/zinc/29/33/77/221293377.db2.gz LBLVDHSUBILSEQ-PDGQHHTCSA-N 0 0 385.510 4.495 50 10 GICARN Cc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000013942208 221293671 /nfs/dbraw/zinc/29/36/71/221293671.db2.gz YJVWAXJYVRPXEB-AQTBWJFISA-N 0 0 385.510 4.284 50 10 GICARN COc1ccc(Br)cc1/C=C1/SC(N2CCC(C)CC2)=NC1=O ZINC000013892636 221293699 /nfs/dbraw/zinc/29/36/99/221293699.db2.gz NNNNLPHBHKDLDG-XNTDXEJSSA-N 0 0 395.322 4.160 50 10 GICARN CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccccc3)n2)SC1=S ZINC000014244856 221307429 /nfs/dbraw/zinc/30/74/29/221307429.db2.gz AJYPSTBRCRHWMT-NTEUORMPSA-N 0 0 389.527 4.049 50 10 GICARN CCOC(=O)c1c(C)oc2c1c(C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c([O-])c1ccccc21 ZINC000015227371 221333978 /nfs/dbraw/zinc/33/39/78/221333978.db2.gz VNYPUKLNLDKLDW-OKILXGFUSA-N 0 0 397.471 4.386 50 10 GICARN O=C1NC(=S)S/C1=C\c1ccccc1OCCOc1ccccc1Cl ZINC000015800440 221345931 /nfs/dbraw/zinc/34/59/31/221345931.db2.gz LDIFIGUBUNOQOX-WJDWOHSUSA-N 0 0 391.901 4.287 50 10 GICARN O=C(Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1)c1ccc(F)cc1 ZINC000019855281 221459905 /nfs/dbraw/zinc/45/99/05/221459905.db2.gz YJZKDTBSCNGKGD-UHFFFAOYSA-N 0 0 386.430 4.448 50 10 GICARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3ccc(Br)o3)C2=N)S1 ZINC000020266129 221481104 /nfs/dbraw/zinc/48/11/04/221481104.db2.gz OSSTYHDTBQVMRT-CCILBWDTSA-N 0 0 395.282 4.097 50 10 GICARN COc1ccc(N2CCN(Cn3c(=S)snc3-c3ccccc3)CC2)cc1 ZINC000058162853 136154715 /nfs/dbraw/zinc/15/47/15/136154715.db2.gz OSDLRJYKOOHXNE-UHFFFAOYSA-N 0 0 398.557 4.129 50 10 GICARN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c(C(F)(F)F)c1 ZINC000084341330 136174924 /nfs/dbraw/zinc/17/49/24/136174924.db2.gz NBWGOZGZZCTLID-UHFFFAOYSA-N 0 0 399.344 4.201 50 10 GICARN Cc1cccc(N2CCN(Cc3cc(Br)ccc3O)CC2)c1C ZINC000053175277 136177516 /nfs/dbraw/zinc/17/75/16/136177516.db2.gz ZQPDRSZLRAKKNO-UHFFFAOYSA-N 0 0 375.310 4.094 50 10 GICARN C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000028288288 221672507 /nfs/dbraw/zinc/67/25/07/221672507.db2.gz PLJWWFIRBMXWOS-KRWDZBQOSA-N 0 0 393.462 4.287 50 10 GICARN Cc1cc(N2CCOCC2)ccc1[C@@H]1Nc2cc(Cl)ccc2-c2ccnn21 ZINC000030952911 221707610 /nfs/dbraw/zinc/70/76/10/221707610.db2.gz FLYSPJBZRMUGBW-OAQYLSRUSA-N 0 0 380.879 4.321 50 10 GICARN CC1=CN2C(=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=N)S1 ZINC000033893174 221797276 /nfs/dbraw/zinc/79/72/76/221797276.db2.gz YEMYMIBPBJHWDQ-LCBVWSOUSA-N 0 0 380.385 4.022 50 10 GICARN O=C1/C(=C/c2ccc3ncccc3c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000051330773 222004504 /nfs/dbraw/zinc/00/45/04/222004504.db2.gz JTIRWBGBKOEBRM-NVMNQCDNSA-N 0 0 392.461 4.369 50 10 GICARN COc1ccc(C=C2SC(Nc3ccccc3Cl)=NC2=O)cc1[N+](=O)[O-] ZINC000059566235 222058498 /nfs/dbraw/zinc/05/84/98/222058498.db2.gz NYNPXASOXLMVKG-DHDCSXOGSA-N 0 0 389.820 4.339 50 10 GICARN C[C@H]1CC(=O)N[C@@]2(/C=C/c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C ZINC000000730796 570221593 /nfs/dbraw/zinc/22/15/93/570221593.db2.gz QDLUIPKHEOLEDQ-QENBSYJXSA-N 0 0 375.516 4.168 50 10 GICARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccccc1Cl ZINC000019842386 570225126 /nfs/dbraw/zinc/22/51/26/570225126.db2.gz PRNIXOBNBVXNBO-RGEXLXHISA-N 0 0 397.931 4.128 50 10 GICARN NC(=O)Cn1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c2ccccc21 ZINC000020059445 570238056 /nfs/dbraw/zinc/23/80/56/570238056.db2.gz MYGALHQCKLSAMD-KGENOOAVSA-N 0 0 393.446 4.346 50 10 GICARN CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S ZINC000001159770 570251229 /nfs/dbraw/zinc/25/12/29/570251229.db2.gz IOYGDSBPGTVPRI-YBEGLDIGSA-N 0 0 386.454 4.005 50 10 GICARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNNc1cc(Cl)ccc1Cl ZINC000097944364 570261184 /nfs/dbraw/zinc/26/11/84/570261184.db2.gz MVJBZNNZUKNAEG-ZROIWOOFSA-N 0 0 379.222 4.356 50 10 GICARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NC(=O)Nc1cccc(C)c1C ZINC000102516058 570289526 /nfs/dbraw/zinc/28/95/26/570289526.db2.gz MFENBKYHNAAKFX-BOPFTXTBSA-N 0 0 382.851 4.385 50 10 GICARN Cc1[nH]c2ccccc2c1/C=C1\C(=O)N=C2SN=C(SCC(C)C)N2C1=N ZINC000004825889 570294316 /nfs/dbraw/zinc/29/43/16/570294316.db2.gz XUEYAQCFPDUDBA-CLFJUMGRSA-N 0 0 397.529 4.442 50 10 GICARN COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000002953137 570319773 /nfs/dbraw/zinc/31/97/73/570319773.db2.gz CEKRWBAVQHKDLL-KGENOOAVSA-N 0 0 388.398 4.374 50 10 GICARN CN(C)c1ccc(CN(C)C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000023392415 570322937 /nfs/dbraw/zinc/32/29/37/570322937.db2.gz MMOMRUWMYSILCN-UHFFFAOYSA-N 0 0 395.425 4.035 50 10 GICARN Cc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)c(C)n1-c1ccccc1 ZINC000006266139 570353438 /nfs/dbraw/zinc/35/34/38/570353438.db2.gz PIZZSRRDYOTBIV-UHFFFAOYSA-N 0 0 388.467 4.230 50 10 GICARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1cc(C)[nH]c1C ZINC000023463539 570362863 /nfs/dbraw/zinc/36/28/63/570362863.db2.gz WNQZNBRYTZPROD-UHFFFAOYSA-N 0 0 397.500 4.261 50 10 GICARN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000004675813 570392451 /nfs/dbraw/zinc/39/24/51/570392451.db2.gz IGOMTDKVYUKOCM-CIAFOILYSA-N 0 0 389.430 4.326 50 10 GICARN Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 ZINC000004746270 570401678 /nfs/dbraw/zinc/40/16/78/570401678.db2.gz ZMHDVSQEUQJBSL-RVDMUPIBSA-N 0 0 388.539 4.287 50 10 GICARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005093227 570428861 /nfs/dbraw/zinc/42/88/61/570428861.db2.gz BFJLNNLAOJVZGM-UHFFFAOYSA-N 0 0 375.811 4.297 50 10 GICARN Cc1ccc(C)c(OCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000005102401 570429600 /nfs/dbraw/zinc/42/96/00/570429600.db2.gz IJUGKWVRORVLHG-PDGQHHTCSA-N 0 0 385.510 4.250 50 10 GICARN CN1c2ccccc2S[C@@H]2C=CC(CCN3C(=O)c4ccccc4C3=O)=C[C@H]21 ZINC000239562547 570430341 /nfs/dbraw/zinc/43/03/41/570430341.db2.gz CLJYTWXMEAQEJM-TZIWHRDSSA-N 0 0 388.492 4.148 50 10 GICARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc(OC)c1O ZINC000005520494 570443921 /nfs/dbraw/zinc/44/39/21/570443921.db2.gz RXRUWXQSMUJUHM-WJDWOHSUSA-N 0 0 380.444 4.242 50 10 GICARN O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285144 570489673 /nfs/dbraw/zinc/48/96/73/570489673.db2.gz UMBRCXHAOZJGKM-UHFFFAOYSA-N 0 0 386.495 4.049 50 10 GICARN CC(=O)Nc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000002696940 570504919 /nfs/dbraw/zinc/50/49/19/570504919.db2.gz BEJFDYGEELBTJF-QFIPXVFZSA-N 0 0 384.439 4.495 50 10 GICARN CCN(CC)c1ccc(CNc2sc3c(c2C(N)=O)CCCC3)c(OC)c1 ZINC000001028071 570548733 /nfs/dbraw/zinc/54/87/33/570548733.db2.gz NRYZCIOBVLOAHU-UHFFFAOYSA-N 0 0 387.549 4.193 50 10 GICARN CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005376025 570569186 /nfs/dbraw/zinc/56/91/86/570569186.db2.gz PLQISDXXCMTSGX-MLJWKTOOSA-N 0 0 394.587 4.131 50 10 GICARN CCCOc1cc(N2CCC(O)CC2)ccc1NCCOc1ccc(F)cc1 ZINC000225656324 570598784 /nfs/dbraw/zinc/59/87/84/570598784.db2.gz UFKZTWBRCCZMCU-UHFFFAOYSA-N 0 0 388.483 4.067 50 10 GICARN O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1C[C@@H]1CCCO1 ZINC000032593913 570679588 /nfs/dbraw/zinc/67/95/88/570679588.db2.gz YZBPWSDFCIZKGR-ADFUCPMPSA-N 0 0 389.473 4.466 50 10 GICARN CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCc2sccc2C1 ZINC000036398263 570683103 /nfs/dbraw/zinc/68/31/03/570683103.db2.gz HCOYQUNKZFDAQL-UHFFFAOYSA-N 0 0 383.542 4.309 50 10 GICARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2C)cc1 ZINC000000881682 570702525 /nfs/dbraw/zinc/70/25/25/570702525.db2.gz XPNXUDNEQINEGA-UHFFFAOYSA-N 0 0 395.484 4.029 50 10 GICARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000036624895 570767698 /nfs/dbraw/zinc/76/76/98/570767698.db2.gz BSKGWQYYDLTLDR-ZDUSSCGKSA-N 0 0 381.303 4.485 50 10 GICARN O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccc(Br)cc1 ZINC000005855966 570797181 /nfs/dbraw/zinc/79/71/81/570797181.db2.gz NQGCQCQXWVMXCB-UKTHLTGXSA-N 0 0 377.288 4.250 50 10 GICARN CCC(=O)Nc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000007129317 570800191 /nfs/dbraw/zinc/80/01/91/570800191.db2.gz SBCRRFPQJQKDRQ-UHFFFAOYSA-N 0 0 379.485 4.411 50 10 GICARN O=C1N/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1Cc1ccccc1F ZINC000004498310 570813710 /nfs/dbraw/zinc/81/37/10/570813710.db2.gz MADWOGRRKWVMPM-UDWIEESQSA-N 0 0 397.425 4.048 50 10 GICARN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1ccc(O)cc1 ZINC000101446596 570823441 /nfs/dbraw/zinc/82/34/41/570823441.db2.gz IHEAXHLZLJCKED-JWGURIENSA-N 0 0 393.487 4.010 50 10 GICARN CCOc1ccccc1N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000004690441 570835258 /nfs/dbraw/zinc/83/52/58/570835258.db2.gz MBUJSVDAYGCLDS-WJDWOHSUSA-N 0 0 386.454 4.399 50 10 GICARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000007423283 570840928 /nfs/dbraw/zinc/84/09/28/570840928.db2.gz PUZNEMLJDPXUIS-UHFFFAOYSA-N 0 0 387.892 4.480 50 10 GICARN N=C1/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000004549760 570861004 /nfs/dbraw/zinc/86/10/04/570861004.db2.gz DVWSCZCCWAHRAP-OWXMOAHUSA-N 0 0 390.346 4.128 50 10 GICARN COc1cccc2c1O[C@@H](CCSC)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000103562930 570886655 /nfs/dbraw/zinc/88/66/55/570886655.db2.gz TUVHYQNAPBRYLD-PXNSSMCTSA-N 0 0 384.501 4.332 50 10 GICARN C[C@@H]1CC(=O)N[C@]2(/C=C\c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C ZINC000103746988 570888723 /nfs/dbraw/zinc/88/87/23/570888723.db2.gz QDLUIPKHEOLEDQ-WXGGUIGUSA-N 0 0 375.516 4.168 50 10 GICARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCCO2)CO3 ZINC000002118256 570952800 /nfs/dbraw/zinc/95/28/00/570952800.db2.gz RLKVDKHRNABDLN-UHFFFAOYSA-N 0 0 393.439 4.182 50 10 GICARN Oc1ccc(Br)cc1CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019364014 570979361 /nfs/dbraw/zinc/97/93/61/570979361.db2.gz UDBUKNAECQQGSK-UHFFFAOYSA-N 0 0 395.728 4.126 50 10 GICARN Cc1ccc(-n2nnnc2C=CNc2ccccc2C(=O)c2ccccc2)cc1 ZINC000108720063 570991478 /nfs/dbraw/zinc/99/14/78/570991478.db2.gz ZDSJJIOZHWQLEZ-FOCLMDBBSA-N 0 0 381.439 4.285 50 10 GICARN CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000002196776 570996643 /nfs/dbraw/zinc/99/66/43/570996643.db2.gz VWZWHMPGDFGIDE-SSZFMOIBSA-N 0 0 393.530 4.020 50 10 GICARN