smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1OC ZINC000006954784 817728976 /nfs/dbraw/zinc/72/89/76/817728976.db2.gz QECQYVUFVPTCPJ-NJSLBKSFSA-N 0 0 382.416 4.447 40 10 GICBRN Cn1c2ccc(-n3c(-c4ccccc4)cc4c3CC(C)(C)CC4=O)cc2n(C)c1=O ZINC000033783283 821060220 /nfs/dbraw/zinc/06/02/20/821060220.db2.gz VXSZBUYWTGHOGS-UHFFFAOYSA-N 0 0 399.494 4.490 40 10 GICBRN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830540 231022348 /nfs/dbraw/zinc/02/23/48/231022348.db2.gz CABGNPCAWMGBAI-SXGWCWSVSA-N 0 0 381.438 4.482 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1[N+](=O)[O-] ZINC000409330660 231191023 /nfs/dbraw/zinc/19/10/23/231191023.db2.gz LQIUBFGRQZAGTD-NVNXTCNLSA-N 0 0 390.417 4.148 40 10 GICBRN CC1=NN2C(=NC(=O)C[C@@H]2c2ccccc2)N=C1C=Cc1ccc(N(C)C)cc1 ZINC000005735245 204149127 /nfs/dbraw/zinc/14/91/27/204149127.db2.gz FORGHULRCDUSAG-QGFLDLQWSA-N 0 0 385.471 4.409 40 10 GICBRN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nc(-c2ccc(Cl)cc2)cs1 ZINC000040945640 205075057 /nfs/dbraw/zinc/07/50/57/205075057.db2.gz LSQLRLNLFOSQAJ-UHFFFAOYSA-N 0 0 395.849 4.173 40 10 GICBRN COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000004610991 205750367 /nfs/dbraw/zinc/75/03/67/205750367.db2.gz OQQYLFCZBHXQRH-YRNVUSSQSA-N 0 0 382.288 4.197 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000222786410 205987383 /nfs/dbraw/zinc/98/73/83/205987383.db2.gz QCGNBJODABRYJH-LEWJYISDSA-N 0 0 392.528 4.187 40 10 GICBRN CCN(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000224992588 206033018 /nfs/dbraw/zinc/03/30/18/206033018.db2.gz PPZJSQFFWAJUBS-UHFFFAOYSA-N 0 0 390.911 4.149 40 10 GICBRN CCN(CCCNC(=S)Nc1ccc(OC)cc1OC)c1ccc(C)cc1 ZINC000225733179 206071577 /nfs/dbraw/zinc/07/15/77/206071577.db2.gz DYPDMBRPAWWZFO-UHFFFAOYSA-N 0 0 387.549 4.215 40 10 GICBRN COc1ccc(N2CCN(C(=O)c3cc(C(C)C)c(OC)cc3C)CC2)cc1 ZINC000225658154 206063626 /nfs/dbraw/zinc/06/36/26/206063626.db2.gz XIJBULJRGXAIEK-UHFFFAOYSA-N 0 0 382.504 4.098 40 10 GICBRN C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000225690898 206067879 /nfs/dbraw/zinc/06/78/79/206067879.db2.gz SFBBUGDGIVGEDV-MRXNPFEDSA-N 0 0 397.544 4.181 40 10 GICBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000225799156 206077152 /nfs/dbraw/zinc/07/71/52/206077152.db2.gz FKHRVXOQGCGOPZ-UHFFFAOYSA-N 0 0 399.560 4.439 40 10 GICBRN Cc1ccc(N(C)CCNC(=S)Nc2cccc(Br)c2)cc1 ZINC000225795096 206077605 /nfs/dbraw/zinc/07/76/05/206077605.db2.gz UJBZISGGQGHYCT-UHFFFAOYSA-N 0 0 378.339 4.180 40 10 GICBRN CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000225839297 206080232 /nfs/dbraw/zinc/08/02/32/206080232.db2.gz OBFZIGNAXGLRQX-KRWDZBQOSA-N 0 0 399.560 4.358 40 10 GICBRN CCN(CCOC(C)=O)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)c(C)c1 ZINC000255976700 206150820 /nfs/dbraw/zinc/15/08/20/206150820.db2.gz HMAJVAFLGGPIPN-UHFFFAOYSA-N 0 0 377.426 4.165 40 10 GICBRN O=C(N=NC(=O)OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000299888482 206193465 /nfs/dbraw/zinc/19/34/65/206193465.db2.gz LIEOEYTUTSDYKB-UHFFFAOYSA-N 0 0 380.826 4.452 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000059959159 533267614 /nfs/dbraw/zinc/26/76/14/533267614.db2.gz BOKIAAAXMLSOPI-YBEGLDIGSA-N 0 0 398.802 4.125 40 10 GICBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408892569 533264946 /nfs/dbraw/zinc/26/49/46/533264946.db2.gz IJZKQMWHBCVSPR-BKUYFWCQSA-N 0 0 384.435 4.108 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000409001346 533266556 /nfs/dbraw/zinc/26/65/56/533266556.db2.gz PGQUVVRCIKBZQV-STZFKDTASA-N 0 0 390.483 4.247 40 10 GICBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NC2CCCC2)cc1 ZINC000017076801 533431387 /nfs/dbraw/zinc/43/13/87/533431387.db2.gz SPEOEWXZBKQIIM-PGMHBOJBSA-N 0 0 375.472 4.252 40 10 GICBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1cccc(C)c1 ZINC000113834933 533473183 /nfs/dbraw/zinc/47/31/83/533473183.db2.gz WTKLYIBZCCCYLV-WOJGMQOQSA-N 0 0 385.510 4.414 40 10 GICBRN NC(NCc1ccccc1)=C(N=Nc1ccccc1)C(=O)NCc1ccccc1 ZINC000066166478 222139006 /nfs/dbraw/zinc/13/90/06/222139006.db2.gz FAZOIBGUMUTFQO-CUDYFHFOSA-N 0 0 385.471 4.222 40 10 GICBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)=O)cc3)SC2=S)cc1 ZINC000409338667 533993818 /nfs/dbraw/zinc/99/38/18/533993818.db2.gz NZTGCGDJNCSXIC-BOPFTXTBSA-N 0 0 385.466 4.026 40 10 GICBRN COc1ccccc1N1C(=O)/C(=C\c2cc3ccccc3oc2=O)SC1=S ZINC000409339674 534130708 /nfs/dbraw/zinc/13/07/08/534130708.db2.gz KKOKPPMHMHXKSF-GZTJUZNOSA-N 0 0 395.461 4.207 40 10 GICBRN Ic1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000409335993 534540415 /nfs/dbraw/zinc/54/04/15/534540415.db2.gz ZMAYSCPWRLHCTG-QHSBEEBCSA-N 0 0 375.253 4.444 40 10 GICBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1O ZINC000408974043 528196530 /nfs/dbraw/zinc/19/65/30/528196530.db2.gz WJRZHLQBJIVZSJ-UVTDQMKNSA-N 0 0 376.334 4.139 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1O ZINC000408892315 528615700 /nfs/dbraw/zinc/61/57/00/528615700.db2.gz IAPCMURXECZLRE-UYRXBGFRSA-N 0 0 377.440 4.276 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1O ZINC000408892891 528617234 /nfs/dbraw/zinc/61/72/34/528617234.db2.gz KQXIJVBCMKQVHA-ATVHPVEESA-N 0 0 383.831 4.313 40 10 GICBRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000217879503 536752579 /nfs/dbraw/zinc/75/25/79/536752579.db2.gz GMDPYWCAURWVNI-KRWDZBQOSA-N 0 0 382.504 4.431 40 10 GICBRN Oc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000328981714 570210509 /nfs/dbraw/zinc/21/05/09/570210509.db2.gz GVLYVWZKFJJXNL-UHFFFAOYSA-N 0 0 380.879 4.445 40 10 GICBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccccc2)C1=O ZINC000016805078 570403412 /nfs/dbraw/zinc/40/34/12/570403412.db2.gz ZONHSYNIHVFIBC-MNPLYOLFSA-N 0 0 394.521 4.473 40 10 GICBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 ZINC000222741535 570423466 /nfs/dbraw/zinc/42/34/66/570423466.db2.gz JXVAIBMGYSPKLG-NHCUHLMSSA-N 0 0 392.528 4.100 40 10 GICBRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CN(Cc2ccc(Cl)cc2)C1 ZINC000057776079 570426915 /nfs/dbraw/zinc/42/69/15/570426915.db2.gz HEBUUHYTICIMHB-UHFFFAOYSA-N 0 0 397.950 4.079 40 10 GICBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222863886 570429195 /nfs/dbraw/zinc/42/91/95/570429195.db2.gz POVMMFLIVMYNAZ-RTWAWAEBSA-N 0 0 391.544 4.267 40 10 GICBRN COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)c1 ZINC000408761615 570470676 /nfs/dbraw/zinc/47/06/76/570470676.db2.gz HFNGIHQRDBEOKT-KGENOOAVSA-N 0 0 388.398 4.374 40 10 GICBRN CCOC(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)s1 ZINC000016687752 570494822 /nfs/dbraw/zinc/49/48/22/570494822.db2.gz ZTMRYVUEWFIZIT-VHEBQXMUSA-N 0 0 390.421 4.085 40 10 GICBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000058884121 570650269 /nfs/dbraw/zinc/65/02/69/570650269.db2.gz WKNGHOWOBAYUOM-STZFKDTASA-N 0 0 391.467 4.347 40 10 GICBRN CCCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC ZINC000408933477 570686851 /nfs/dbraw/zinc/68/68/51/570686851.db2.gz AGYFIOBPRJIFKM-XMHGGMMESA-N 0 0 392.455 4.316 40 10 GICBRN COc1ccc(CSCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000010113091 570782335 /nfs/dbraw/zinc/78/23/35/570782335.db2.gz BVLSSVJLWGEKBJ-UHFFFAOYSA-N 0 0 384.545 4.235 40 10 GICBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccc2ccccc21 ZINC000017081684 570915964 /nfs/dbraw/zinc/91/59/64/570915964.db2.gz CABYPMZRWHBUTL-KQWNVCNZSA-N 0 0 399.450 4.492 40 10 GICBRN CCc1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2CC(=O)OC)cc1 ZINC000017080805 570918991 /nfs/dbraw/zinc/91/89/91/570918991.db2.gz PJARUMTUBXOBRE-STZFKDTASA-N 0 0 395.434 4.040 40 10 GICBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccc(Cl)c1C ZINC000017081393 570919030 /nfs/dbraw/zinc/91/90/30/570919030.db2.gz WVLMTVTWZDLEKJ-ZHZULCJRSA-N 0 0 397.862 4.300 40 10 GICBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000222411785 570950869 /nfs/dbraw/zinc/95/08/69/570950869.db2.gz HLPFWSVVQWOJLB-QEEYODRMSA-N 0 0 382.416 4.447 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000033660096 821058748 /nfs/dbraw/zinc/05/87/48/821058748.db2.gz BGXGNTVITHMYLZ-WJDWOHSUSA-N 0 0 398.802 4.125 40 10 GICBRN O=C(c1cccc([N+](=O)[O-])c1)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000033706990 821059260 /nfs/dbraw/zinc/05/92/60/821059260.db2.gz APBKBYILHLJBBK-MBXCTOFRSA-N 0 0 396.449 4.193 40 10 GICBRN Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000408959615 231134701 /nfs/dbraw/zinc/13/47/01/231134701.db2.gz BZOPBAFUAVDRMX-MOSHPQCFSA-N 0 0 395.890 4.342 40 10 GICBRN CSc1cccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)c1 ZINC000409346749 231193472 /nfs/dbraw/zinc/19/34/72/231193472.db2.gz LFQANZCOBUHJMU-PFONDFGASA-N 0 0 384.507 4.137 40 10 GICBRN CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCOC)C3=O)c2C)cc1 ZINC000409123803 529579581 /nfs/dbraw/zinc/57/95/81/529579581.db2.gz IRMGBNFYVRXDSP-CPNJWEJPSA-N 0 0 384.501 4.339 40 10 GICBRN CCCCOC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005370886 204127989 /nfs/dbraw/zinc/12/79/89/204127989.db2.gz FOTNHAHOISSCHN-CRWKAAGYSA-N 0 0 375.515 4.177 40 10 GICBRN CCn1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 ZINC000005333781 204125343 /nfs/dbraw/zinc/12/53/43/204125343.db2.gz ISEIGOJQNXIJGF-YVLHZVERSA-N 0 0 379.847 4.084 40 10 GICBRN CCCCOC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000005370682 204128489 /nfs/dbraw/zinc/12/84/89/204128489.db2.gz ZJGZCVZZADIWGS-SSZFMOIBSA-N 0 0 393.530 4.020 40 10 GICBRN CC1(C)Cc2nc3sc(C(=O)OCc4ccccc4)c(N)c3cc2C(=O)C1 ZINC000006263439 204173123 /nfs/dbraw/zinc/17/31/23/204173123.db2.gz RLCZPIUPUBCYLM-UHFFFAOYSA-N 0 0 380.469 4.391 40 10 GICBRN CCc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(C(=O)OC)=C2C)cc1 ZINC000008085627 204262243 /nfs/dbraw/zinc/26/22/43/204262243.db2.gz VWPLIYMMEXCSOY-UYRXBGFRSA-N 0 0 392.411 4.034 40 10 GICBRN O=C1C(=Cc2c[nH]nc2-c2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000008553658 204278752 /nfs/dbraw/zinc/27/87/52/204278752.db2.gz IHLBEDUWOOSYAK-GZTJUZNOSA-N 0 0 377.494 4.478 40 10 GICBRN CN(O)/N=N\c1c(Br)cc(Br)cc1Br ZINC000104188063 205650359 /nfs/dbraw/zinc/65/03/59/205650359.db2.gz LPOMRLFCWIGQTP-QXMHVHEDSA-N 0 0 387.857 4.294 40 10 GICBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@@H]21 ZINC000001461900 205809511 /nfs/dbraw/zinc/80/95/11/205809511.db2.gz PHGUIQBXOQJKPJ-FUHIMQAGSA-N 0 0 377.440 4.476 40 10 GICBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000225657695 206063640 /nfs/dbraw/zinc/06/36/40/206063640.db2.gz BYALAKDHYNRRQN-MRXNPFEDSA-N 0 0 384.549 4.374 40 10 GICBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000059435756 533266830 /nfs/dbraw/zinc/26/68/30/533266830.db2.gz ROOXPFIYTGYPFQ-ZROIWOOFSA-N 0 0 392.238 4.459 40 10 GICBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000408894590 533266550 /nfs/dbraw/zinc/26/65/50/533266550.db2.gz RNHZHJKEJRKPAQ-QIQQCEGHSA-N 0 0 392.411 4.029 40 10 GICBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Cl)c1O ZINC000408972206 533473108 /nfs/dbraw/zinc/47/31/08/533473108.db2.gz NKBMCZIRLDKXPM-GHXNOFRVSA-N 0 0 396.752 4.403 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000408708810 533720207 /nfs/dbraw/zinc/72/02/07/533720207.db2.gz TUSRPCXFHMHMEY-IBGZPJMESA-N 0 0 387.483 4.394 40 10 GICBRN COc1ccc(N2CCN(C(=O)/C(=C/c3ccco3)c3ccccc3)CC2)cc1 ZINC000218098206 536675643 /nfs/dbraw/zinc/67/56/43/536675643.db2.gz ISVXOFNIOIDDDN-PTGBLXJZSA-N 0 0 388.467 4.178 40 10 GICBRN NC(NCc1ccccc1)=C(N=Nc1ccccc1)C(=O)NCc1ccccc1 ZINC000104338102 570301542 /nfs/dbraw/zinc/30/15/42/570301542.db2.gz FAZOIBGUMUTFQO-ZUSALWDXSA-N 0 0 385.471 4.222 40 10 GICBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000003069369 570327691 /nfs/dbraw/zinc/32/76/91/570327691.db2.gz VOECKXGIWQJNSN-PDGQHHTCSA-N 0 0 382.510 4.361 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222809487 570427098 /nfs/dbraw/zinc/42/70/98/570427098.db2.gz WASLMISPPKOBFP-NHCUHLMSSA-N 0 0 392.528 4.182 40 10 GICBRN CCc1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1OC ZINC000223688593 570478828 /nfs/dbraw/zinc/47/88/28/570478828.db2.gz MVLXCETVDNZREQ-UHFFFAOYSA-N 0 0 395.480 4.289 40 10 GICBRN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466438 570494217 /nfs/dbraw/zinc/49/42/17/570494217.db2.gz SILOPWUEXIQFDZ-DLBZAZTESA-N 0 0 381.476 4.251 40 10 GICBRN O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000225353848 570566690 /nfs/dbraw/zinc/56/66/90/570566690.db2.gz FRWBFWCZLKEWBE-UHFFFAOYSA-N 0 0 393.314 4.079 40 10 GICBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000004600991 570631209 /nfs/dbraw/zinc/63/12/09/570631209.db2.gz GHNAZCDKLWXBPU-XYOKQWHBSA-N 0 0 395.331 4.254 40 10 GICBRN Cc1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)cc1[N+](=O)[O-] ZINC000058865534 570648109 /nfs/dbraw/zinc/64/81/09/570648109.db2.gz NOXZFCNFRYYVFP-UHFFFAOYSA-N 0 0 397.383 4.307 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000058884029 570650153 /nfs/dbraw/zinc/65/01/53/570650153.db2.gz RRYFDVIAZZQPCO-UNOMPAQXSA-N 0 0 395.480 4.294 40 10 GICBRN Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000005005479 570652619 /nfs/dbraw/zinc/65/26/19/570652619.db2.gz AFFGHMHKALWNGZ-GHRIWEEISA-N 0 0 382.510 4.225 40 10 GICBRN COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260737644 570700712 /nfs/dbraw/zinc/70/07/12/570700712.db2.gz MTHOQZGBCIXBPK-INIZCTEOSA-N 0 0 397.544 4.196 40 10 GICBRN Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260802961 570708153 /nfs/dbraw/zinc/70/81/53/570708153.db2.gz TYIATXWQLJPKLJ-RDJZCZTQSA-N 0 0 390.524 4.410 40 10 GICBRN C[C@@H]1[C@H](/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C ZINC000005336110 570732324 /nfs/dbraw/zinc/73/23/24/570732324.db2.gz GJEDYODRNPXMLU-OMZJYFQPSA-N 0 0 387.527 4.179 40 10 GICBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)cc1 ZINC000013477023 570848147 /nfs/dbraw/zinc/84/81/47/570848147.db2.gz ZBHAUOMSPWHVJG-JXAWBTAJSA-N 0 0 389.590 4.177 40 10 GICBRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2cccc(F)c2)CCOCC1 ZINC000019662163 571026220 /nfs/dbraw/zinc/02/62/20/571026220.db2.gz PFACWZGEBYSLAE-UHFFFAOYSA-N 0 0 396.506 4.181 40 10 GICBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000007378619 817827346 /nfs/dbraw/zinc/82/73/46/817827346.db2.gz VYDJCCOBJLYNRB-GOSISDBHSA-N 0 0 376.456 4.128 40 10 GICBRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000008028866 817985288 /nfs/dbraw/zinc/98/52/88/817985288.db2.gz ZPYCBZUBMWVULI-YCRREMRBSA-N 0 0 391.298 4.364 40 10 GICBRN COc1ccc(C[C@@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1OC ZINC000008164855 818009974 /nfs/dbraw/zinc/00/99/74/818009974.db2.gz JERNQSRYJIDFIW-KRWDZBQOSA-N 0 0 379.547 4.056 40 10 GICBRN CC(C)OC(=O)c1c2ccc3ccccc3n2c2c1C(=O)c1ccccc1C2=O ZINC000012112439 818143042 /nfs/dbraw/zinc/14/30/42/818143042.db2.gz KAMMQEBQHRBTFR-UHFFFAOYSA-N 0 0 383.403 4.433 40 10 GICBRN CCOc1ccccc1/C=C1\C(=O)N(c2cccc(C)c2)C(C)=C1C(=O)OC ZINC000408798597 231115163 /nfs/dbraw/zinc/11/51/63/231115163.db2.gz VXWXKVNLIOIAOQ-RGEXLXHISA-N 0 0 377.440 4.271 40 10 GICBRN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409179259 231175569 /nfs/dbraw/zinc/17/55/69/231175569.db2.gz QHDYTUFEOKDXBB-MKMNVTDBSA-N 0 0 381.837 4.296 40 10 GICBRN Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1C(C)C ZINC000409228432 231182922 /nfs/dbraw/zinc/18/29/22/231182922.db2.gz YTZWALGZFLODKR-WOJGMQOQSA-N 0 0 395.528 4.134 40 10 GICBRN CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S ZINC000004746546 204072759 /nfs/dbraw/zinc/07/27/59/204072759.db2.gz MVMKNNCZMVHXKD-SSZFMOIBSA-N 0 0 377.531 4.184 40 10 GICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3nc4ccccc4n3C)SC2=S)c1 ZINC000005235994 204120369 /nfs/dbraw/zinc/12/03/69/204120369.db2.gz RTHPLXUSOSVDSG-GZTJUZNOSA-N 0 0 393.493 4.182 40 10 GICBRN COc1ccc(CCN2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 ZINC000005235957 204121167 /nfs/dbraw/zinc/12/11/67/204121167.db2.gz RCDBBJPBQSEPRG-ATVHPVEESA-N 0 0 395.509 4.015 40 10 GICBRN COc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC ZINC000005371401 204128370 /nfs/dbraw/zinc/12/83/70/204128370.db2.gz HSXUGSJZIBHQQC-WQRHYEAKSA-N 0 0 399.493 4.312 40 10 GICBRN COc1ccc(N(C)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 ZINC000005319511 204125489 /nfs/dbraw/zinc/12/54/89/204125489.db2.gz SNCQXEDEQITYFP-GZTJUZNOSA-N 0 0 388.876 4.479 40 10 GICBRN COc1ccc(Cl)c2c(=O)c3ccc4c(c3[nH]c12)C(=O)c1ccccc1C4=O ZINC000004973206 204099034 /nfs/dbraw/zinc/09/90/34/204099034.db2.gz HFZJNDDQCAPETD-UHFFFAOYSA-N 0 0 389.794 4.119 40 10 GICBRN COc1ccc(CCN2C(=O)/C(=C/c3cccc(C)c3)SC2=S)cc1OC ZINC000005371151 204127770 /nfs/dbraw/zinc/12/77/70/204127770.db2.gz BRLKXDOKCLKJIE-UYRXBGFRSA-N 0 0 399.537 4.456 40 10 GICBRN COc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(OC)c1 ZINC000005371825 204128852 /nfs/dbraw/zinc/12/88/52/204128852.db2.gz OPCUXTOLMUZXLE-SXGWCWSVSA-N 0 0 375.446 4.249 40 10 GICBRN CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000005370692 204128912 /nfs/dbraw/zinc/12/89/12/204128912.db2.gz YVKFYMFGRMRKPZ-QINSGFPZSA-N 0 0 381.494 4.150 40 10 GICBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3cn(C)c4ccccc34)S2)cc1 ZINC000005372680 204129072 /nfs/dbraw/zinc/12/90/72/204129072.db2.gz MKKNDMVYHSNDSJ-YBFXNURJSA-N 0 0 390.468 4.219 40 10 GICBRN CCc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 ZINC000005552107 204138780 /nfs/dbraw/zinc/13/87/80/204138780.db2.gz QMJINMDGOJEVPQ-NXVVXOECSA-N 0 0 384.457 4.116 40 10 GICBRN Cn1c2ccccc2c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1-c1ccccc1 ZINC000005615891 204142871 /nfs/dbraw/zinc/14/28/71/204142871.db2.gz ZDMLCLKYFSVPGK-PGMHBOJBSA-N 0 0 393.446 4.307 40 10 GICBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000005614301 204143108 /nfs/dbraw/zinc/14/31/08/204143108.db2.gz ZYGWBEZJERVNLP-GHRIWEEISA-N 0 0 399.849 4.394 40 10 GICBRN COc1cccc(CN2[C@@H]3CC[C@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)c1O ZINC000072337379 205327863 /nfs/dbraw/zinc/32/78/63/205327863.db2.gz AFIMKDMXCGUCLY-WBVHZDCISA-N 0 0 392.503 4.003 40 10 GICBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 ZINC000222741592 205986293 /nfs/dbraw/zinc/98/62/93/205986293.db2.gz JXVAIBMGYSPKLG-RTWAWAEBSA-N 0 0 392.528 4.100 40 10 GICBRN C[C@H]1CCCN(c2ccc(CNC(=O)COc3ccc4c(c3)CCCC4)cc2)C1 ZINC000225373897 206044286 /nfs/dbraw/zinc/04/42/86/206044286.db2.gz UCXFOZQIFUZBJE-IBGZPJMESA-N 0 0 392.543 4.497 40 10 GICBRN CN(CCCNC(=S)Nc1ccc(Br)cc1)c1ccccc1 ZINC000225747530 206072230 /nfs/dbraw/zinc/07/22/30/206072230.db2.gz IDZYLSHSTAPNNQ-UHFFFAOYSA-N 0 0 378.339 4.262 40 10 GICBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1OC ZINC000225694374 206067329 /nfs/dbraw/zinc/06/73/29/206067329.db2.gz JJFHGKQNASLGFR-HNNXBMFYSA-N 0 0 385.533 4.352 40 10 GICBRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000225837895 206080652 /nfs/dbraw/zinc/08/06/52/206080652.db2.gz FVDPLTBBYSISII-AWEZNQCLSA-N 0 0 375.925 4.224 40 10 GICBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000033457931 206097753 /nfs/dbraw/zinc/09/77/53/206097753.db2.gz HBFXMPRLBIFIPW-NVNXTCNLSA-N 0 0 387.892 4.153 40 10 GICBRN COc1ccc(Cl)cc1C(=O)C(=O)c1cc(Br)ccc1OC ZINC000263616060 206184589 /nfs/dbraw/zinc/18/45/89/206184589.db2.gz GTVOHZUGFSSRLZ-UHFFFAOYSA-N 0 0 383.625 4.185 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(OC)c1OC ZINC000056851183 206209879 /nfs/dbraw/zinc/20/98/79/206209879.db2.gz FDFXZEHGNPDDOI-PTNGSMBKSA-N 0 0 387.482 4.118 40 10 GICBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408995873 533266824 /nfs/dbraw/zinc/26/68/24/533266824.db2.gz BTBURUAZXDQZTD-CPOQMQJTSA-N 0 0 377.440 4.129 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1 ZINC000408768063 533266757 /nfs/dbraw/zinc/26/67/57/533266757.db2.gz HTCRGZYMQDUSIF-ATVHPVEESA-N 0 0 398.256 4.326 40 10 GICBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(C)=O ZINC000409346918 533472490 /nfs/dbraw/zinc/47/24/90/533472490.db2.gz OSJUQSYMWYDUOS-GZTJUZNOSA-N 0 0 391.514 4.154 40 10 GICBRN CC(Nc1ccc(Cl)c(F)c1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000112122337 527539833 /nfs/dbraw/zinc/53/98/33/527539833.db2.gz RQUMRWHSVCLWOO-YVLHZVERSA-N 0 0 388.786 4.496 40 10 GICBRN CC(NCCCOC(C)C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000112119628 527539981 /nfs/dbraw/zinc/53/99/81/527539981.db2.gz OXTOYXLEDOMYKO-UZYVYHOESA-N 0 0 377.488 4.116 40 10 GICBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccc(F)cc1 ZINC000103917899 528065648 /nfs/dbraw/zinc/06/56/48/528065648.db2.gz YFPNDQSHRGGHOU-ZHZULCJRSA-N 0 0 396.422 4.300 40 10 GICBRN CCCN1C(=O)/C(=C\c2cc(C)n(CC)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409024372 528163618 /nfs/dbraw/zinc/16/36/18/528163618.db2.gz RHKQYINRQVVLDG-XMHGGMMESA-N 0 0 395.528 4.079 40 10 GICBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000409239524 528293707 /nfs/dbraw/zinc/29/37/07/528293707.db2.gz NPPMASWCXSDFPE-LDADJPATSA-N 0 0 399.878 4.292 40 10 GICBRN CCOc1cc2c(cc1/C=C1/SC(=S)N(c3ccccc3)C1=O)OCO2 ZINC000408961877 528338442 /nfs/dbraw/zinc/33/84/42/528338442.db2.gz PCASSZLMUUVIDJ-RQZCQDPDSA-N 0 0 385.466 4.220 40 10 GICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000014414998 528615567 /nfs/dbraw/zinc/61/55/67/528615567.db2.gz QIEDPSLOWZFPGM-PGMHBOJBSA-N 0 0 391.467 4.001 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCC ZINC000408995881 528617588 /nfs/dbraw/zinc/61/75/88/528617588.db2.gz FLQZNYFXJDJOQC-CYVLTUHYSA-N 0 0 377.440 4.353 40 10 GICBRN CN(C)c1ccc(C=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001858302 570269870 /nfs/dbraw/zinc/26/98/70/570269870.db2.gz OZJUNQHTXXJTFU-UHFFFAOYSA-N 0 0 383.451 4.131 40 10 GICBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1 ZINC000016712730 570403552 /nfs/dbraw/zinc/40/35/52/570403552.db2.gz UCMMZCUQCCIRNO-DESBJYGPSA-N 0 0 380.494 4.083 40 10 GICBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222741802 570423519 /nfs/dbraw/zinc/42/35/19/570423519.db2.gz UORRXZDPNAUHOR-NHCUHLMSSA-N 0 0 392.528 4.100 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000222786626 570425812 /nfs/dbraw/zinc/42/58/12/570425812.db2.gz LDSYIASZJMLMMN-RTWAWAEBSA-N 0 0 392.528 4.187 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222809432 570426993 /nfs/dbraw/zinc/42/69/93/570426993.db2.gz WASLMISPPKOBFP-LEWJYISDSA-N 0 0 392.528 4.182 40 10 GICBRN COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 ZINC000223379944 570463178 /nfs/dbraw/zinc/46/31/78/570463178.db2.gz DBLOISNGHZQWPD-UHFFFAOYSA-N 0 0 395.480 4.344 40 10 GICBRN C[C@H]1CN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@H](C)O1 ZINC000033850959 570529692 /nfs/dbraw/zinc/52/96/92/570529692.db2.gz AANABLUNKXOBFF-PJSUUKDQSA-N 0 0 383.879 4.187 40 10 GICBRN CCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000001355505 570574176 /nfs/dbraw/zinc/57/41/76/570574176.db2.gz UKPVUEYVYRDZKH-UHFFFAOYSA-N 0 0 381.476 4.391 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)cc3)SC2=S)cc1 ZINC000083302509 570628598 /nfs/dbraw/zinc/62/85/98/570628598.db2.gz WGQPPXKJNMBHJW-LDADJPATSA-N 0 0 399.493 4.416 40 10 GICBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000059435781 570653971 /nfs/dbraw/zinc/65/39/71/570653971.db2.gz SAIRTVUUJKMDRT-UNOMPAQXSA-N 0 0 397.858 4.221 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000059959142 570660451 /nfs/dbraw/zinc/66/04/51/570660451.db2.gz WSXKLICTVKJUAV-WQRHYEAKSA-N 0 0 383.831 4.226 40 10 GICBRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054283998 570677235 /nfs/dbraw/zinc/67/72/35/570677235.db2.gz NRDLLQJQIZLQQN-LJQANCHMSA-N 0 0 396.531 4.039 40 10 GICBRN CSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408991210 570690286 /nfs/dbraw/zinc/69/02/86/570690286.db2.gz PRKNHGDRKOAORZ-LJQANCHMSA-N 0 0 380.517 4.029 40 10 GICBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)c(F)c2)S1 ZINC000260781618 570705974 /nfs/dbraw/zinc/70/59/74/570705974.db2.gz UBXFJOUWZFLNCY-JSNMRZPZSA-N 0 0 382.508 4.410 40 10 GICBRN C[C@H]1[C@H](/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C ZINC000005336304 570732135 /nfs/dbraw/zinc/73/21/35/570732135.db2.gz GJEDYODRNPXMLU-XNWBNFLHSA-N 0 0 387.527 4.179 40 10 GICBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010113257 570782435 /nfs/dbraw/zinc/78/24/35/570782435.db2.gz RBHXKGZTEKFQPQ-QFIPXVFZSA-N 0 0 382.504 4.159 40 10 GICBRN CCCCCOC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005370829 570824096 /nfs/dbraw/zinc/82/40/96/570824096.db2.gz LUGYEJQXEYOEKQ-NJAVVXAXSA-N 0 0 375.515 4.177 40 10 GICBRN O=C1C(=Cc2ccc(O)cc2)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000014904663 570864471 /nfs/dbraw/zinc/86/44/71/570864471.db2.gz CLEHGQGKTXQPIE-ZROIWOOFSA-N 0 0 385.495 4.230 40 10 GICBRN CN(C)c1ccc(CN(CCCn2ccnc2)Cc2c(F)cccc2F)cc1 ZINC000013991172 570868822 /nfs/dbraw/zinc/86/88/22/570868822.db2.gz QRQSLWBJBICYOE-UHFFFAOYSA-N 0 0 384.474 4.320 40 10 GICBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NC3CCCC3)C2=O)cc1 ZINC000017076800 570916516 /nfs/dbraw/zinc/91/65/16/570916516.db2.gz ZMJWHEBCKUHNRH-PGMHBOJBSA-N 0 0 375.472 4.252 40 10 GICBRN CC(NCCc1c[nH]c2ccc(C)cc12)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000017079643 570918173 /nfs/dbraw/zinc/91/81/73/570918173.db2.gz CULMWTVSYJBVFD-JCMHNJIXSA-N 0 0 390.462 4.444 40 10 GICBRN CCCCCCOc1ccc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 ZINC000016638303 570929324 /nfs/dbraw/zinc/92/93/24/570929324.db2.gz IRZXZWIKXVNOOX-UHFFFAOYSA-N 0 0 388.533 4.025 40 10 GICBRN CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000004541575 817531176 /nfs/dbraw/zinc/53/11/76/817531176.db2.gz YAUCKHPJJRRFKS-UHFFFAOYSA-N 0 0 390.439 4.092 40 10 GICBRN O=C1NC(=S)NC1=CC1=CC(=NNc2cccc(C(F)(F)F)c2)C=CC1=O ZINC000408725063 231106453 /nfs/dbraw/zinc/10/64/53/231106453.db2.gz IRBAQBBPBQNWGM-UTSVKORYSA-N 0 0 392.362 4.172 40 10 GICBRN O=C1/C(=C\c2ccc(Br)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971634 231138165 /nfs/dbraw/zinc/13/81/65/231138165.db2.gz KOCQZNFNTKXAOQ-FLIBITNWSA-N 0 0 385.139 4.391 40 10 GICBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1F ZINC000409238055 231185745 /nfs/dbraw/zinc/18/57/45/231185745.db2.gz BVKKGZMCQYFKLX-DEDYPNTBSA-N 0 0 389.430 4.326 40 10 GICBRN Cn1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 ZINC000409337960 231191820 /nfs/dbraw/zinc/19/18/20/231191820.db2.gz AHEAWGZSAFTXSR-YVLHZVERSA-N 0 0 395.465 4.492 40 10 GICBRN CCOc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409342045 231192972 /nfs/dbraw/zinc/19/29/72/231192972.db2.gz CXZOXWQALBXORQ-YBEGLDIGSA-N 0 0 386.454 4.399 40 10 GICBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)c1 ZINC000005371310 204128849 /nfs/dbraw/zinc/12/88/49/204128849.db2.gz NMIHPMXUCFPPSJ-YVLHZVERSA-N 0 0 387.482 4.118 40 10 GICBRN CCOC(=O)/C(=C/c1cccs1)C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000005457031 204133752 /nfs/dbraw/zinc/13/37/52/204133752.db2.gz CDYFVPZFIJJCBY-ITAGJCAXSA-N 0 0 375.496 4.469 40 10 GICBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000083313794 205083866 /nfs/dbraw/zinc/08/38/66/205083866.db2.gz CDGSVDOSYPJPHC-GZTJUZNOSA-N 0 0 399.493 4.054 40 10 GICBRN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cl)cc1 ZINC000006084838 205819264 /nfs/dbraw/zinc/81/92/64/205819264.db2.gz UQAWSZFSAIJGNO-OVCLIPMQSA-N 0 0 375.858 4.475 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222793435 205988194 /nfs/dbraw/zinc/98/81/94/205988194.db2.gz MYCDXOBMPNJDJD-VQTJNVASSA-N 0 0 391.544 4.185 40 10 GICBRN C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCC(C)CC2)cc1 ZINC000225402329 206045154 /nfs/dbraw/zinc/04/51/54/206045154.db2.gz VRUIUWCXAQGYPJ-KRWDZBQOSA-N 0 0 380.488 4.185 40 10 GICBRN CCN(CCCNC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(C)cc1 ZINC000225733923 206070745 /nfs/dbraw/zinc/07/07/45/206070745.db2.gz ZGYBDJCSKGXLCY-UHFFFAOYSA-N 0 0 399.560 4.293 40 10 GICBRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1F ZINC000225608168 206061459 /nfs/dbraw/zinc/06/14/59/206061459.db2.gz GAXIODMSAXETTH-QGZVFWFLSA-N 0 0 390.524 4.410 40 10 GICBRN C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCO4)cc2)C1 ZINC000225690299 206068296 /nfs/dbraw/zinc/06/82/96/206068296.db2.gz UULAAXVUOBGDOM-OAHLLOKOSA-N 0 0 383.517 4.138 40 10 GICBRN CCOC(=O)c1ccc(C)c(NC(=S)NCCN(CC)c2ccc(C)cc2)c1 ZINC000225793897 206077120 /nfs/dbraw/zinc/07/71/20/206077120.db2.gz JCWALJJZBSKQAU-UHFFFAOYSA-N 0 0 399.560 4.293 40 10 GICBRN CC[C@@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S ZINC000001282573 206212028 /nfs/dbraw/zinc/21/20/28/206212028.db2.gz XBSIKJYXXADXMH-YDRQLGOLSA-N 0 0 377.531 4.353 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000409064316 533268306 /nfs/dbraw/zinc/26/83/06/533268306.db2.gz CBAXGTIYISAMIN-LGMDPLHJSA-N 0 0 396.874 4.283 40 10 GICBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000409062405 533265185 /nfs/dbraw/zinc/26/51/85/533265185.db2.gz UCWOJSQPQNMCNG-ZDLGFXPLSA-N 0 0 398.890 4.358 40 10 GICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1OC ZINC000409016474 533266624 /nfs/dbraw/zinc/26/66/24/533266624.db2.gz UFPVGQVHODJCML-UYRXBGFRSA-N 0 0 377.440 4.189 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000408768713 533266736 /nfs/dbraw/zinc/26/67/36/533266736.db2.gz JXQVMODUEVHILU-UNOMPAQXSA-N 0 0 392.411 4.089 40 10 GICBRN C[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000065222471 136160248 /nfs/dbraw/zinc/16/02/48/136160248.db2.gz WPXQIJMIRYKOAN-AWEZNQCLSA-N 0 0 375.925 4.224 40 10 GICBRN COc1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217946800 136203517 /nfs/dbraw/zinc/20/35/17/136203517.db2.gz HKHSFVLNYLIUKP-QZTJIDSGSA-N 0 0 382.504 4.188 40 10 GICBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000223696485 136205899 /nfs/dbraw/zinc/20/58/99/136205899.db2.gz MRWHATIHDUCHTM-OAHLLOKOSA-N 0 0 378.925 4.055 40 10 GICBRN C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000224578709 136207132 /nfs/dbraw/zinc/20/71/32/136207132.db2.gz VRYVXXFHMWBJLW-SFHVURJKSA-N 0 0 391.515 4.295 40 10 GICBRN COc1ccc(NC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)cc1 ZINC000103917358 533987143 /nfs/dbraw/zinc/98/71/43/533987143.db2.gz JDABYUJQFGWNLN-PDGQHHTCSA-N 0 0 378.457 4.414 40 10 GICBRN COc1ccc(N2C(=O)/C(=C/c3cc4ccccc4oc3=O)SC2=S)cc1 ZINC000409342752 533993885 /nfs/dbraw/zinc/99/38/85/533993885.db2.gz GGZNMCPGFWIVSQ-BOPFTXTBSA-N 0 0 395.461 4.207 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(C)c(C(=O)OC)ccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409164758 534243834 /nfs/dbraw/zinc/24/38/34/534243834.db2.gz NKOWDBNVUZTKNG-OPYAIIAOSA-N 0 0 377.440 4.395 40 10 GICBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCc1ccc2c(c1)OCO2 ZINC000103918119 528065726 /nfs/dbraw/zinc/06/57/26/528065726.db2.gz KOFHWGCISWHEHB-STZFKDTASA-N 0 0 395.434 4.121 40 10 GICBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCCOCC ZINC000112122041 528066699 /nfs/dbraw/zinc/06/66/99/528066699.db2.gz UJDJZWIATZGRBQ-JXAWBTAJSA-N 0 0 386.521 4.089 40 10 GICBRN COc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000022517516 570319719 /nfs/dbraw/zinc/31/97/19/570319719.db2.gz JABBFGLDUGPQIS-KRWDZBQOSA-N 0 0 384.545 4.483 40 10 GICBRN Cc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 ZINC000026675791 570422809 /nfs/dbraw/zinc/42/28/09/570422809.db2.gz RWZHJSMQUMTMLC-AQTBWJFISA-N 0 0 385.510 4.284 40 10 GICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(F)cc1 ZINC000222739083 570423198 /nfs/dbraw/zinc/42/31/98/570423198.db2.gz XPEBNOMWYCKQBR-WOJBJXKFSA-N 0 0 380.492 4.231 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000222786746 570425784 /nfs/dbraw/zinc/42/57/84/570425784.db2.gz LDSYIASZJMLMMN-NHCUHLMSSA-N 0 0 392.528 4.187 40 10 GICBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000004959472 570652966 /nfs/dbraw/zinc/65/29/66/570652966.db2.gz TUVWSTBUSUXFDH-NJSLBKSFSA-N 0 0 380.400 4.217 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000059959161 570660528 /nfs/dbraw/zinc/66/05/28/570660528.db2.gz ZUMYWSHREZHGAY-YVLHZVERSA-N 0 0 398.802 4.125 40 10 GICBRN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1C ZINC000408771366 570681811 /nfs/dbraw/zinc/68/18/11/570681811.db2.gz FXUQXXCVTBVLNN-UHFFFAOYSA-N 0 0 399.450 4.225 40 10 GICBRN CCSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408991563 570690239 /nfs/dbraw/zinc/69/02/39/570690239.db2.gz QJXAGGGVWKHXFE-HXUWFJFHSA-N 0 0 394.544 4.419 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 ZINC000006953049 570751344 /nfs/dbraw/zinc/75/13/44/570751344.db2.gz AZVZWAAPZJYULP-KHYOSLBOSA-N 0 0 380.400 4.217 40 10 GICBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NC(C)(C)C)cc1 ZINC000017080396 570918522 /nfs/dbraw/zinc/91/85/22/570918522.db2.gz LFJOGBCABIKXHC-HKWRFOASSA-N 0 0 393.487 4.117 40 10 GICBRN CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)SC1=S ZINC000006274670 817672354 /nfs/dbraw/zinc/67/23/54/817672354.db2.gz XAZKQNZAXIYJQL-DHDCSXOGSA-N 0 0 390.442 4.085 40 10 GICBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000033643031 821058769 /nfs/dbraw/zinc/05/87/69/821058769.db2.gz IATDMPXUVFIOGA-HMAPJEAMSA-N 0 0 385.467 4.172 40 10 GICBRN Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408766439 231112535 /nfs/dbraw/zinc/11/25/35/231112535.db2.gz QPBJYQORBJJSRT-UDWIEESQSA-N 0 0 398.418 4.264 40 10 GICBRN NC(=O)C1CCN(C(=S)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000409197862 231178571 /nfs/dbraw/zinc/17/85/71/231178571.db2.gz QKSUHLKWWWQXHS-UHFFFAOYSA-N 0 0 383.300 4.126 40 10 GICBRN CN(C)c1ccc(C=Cc2cc(C=Cc3ccc(N(C)C)cc3)[nH]c(=O)n2)cc1 ZINC000004714262 204068465 /nfs/dbraw/zinc/06/84/65/204068465.db2.gz ZZFIFVDWTYNXBO-YDWXAUTNSA-N 0 0 386.499 4.243 40 10 GICBRN CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000005370750 204128060 /nfs/dbraw/zinc/12/80/60/204128060.db2.gz RSLNWKWZIIRYLC-LBFFYKKLSA-N 0 0 392.546 4.052 40 10 GICBRN COc1ccc(CCN2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1OC ZINC000005371125 204128496 /nfs/dbraw/zinc/12/84/96/204128496.db2.gz IFHQTWFJBZJCMJ-UYRXBGFRSA-N 0 0 399.537 4.456 40 10 GICBRN COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc43)=NN2C(C)=O)cc1OC ZINC000005838532 204153526 /nfs/dbraw/zinc/15/35/26/204153526.db2.gz AJPOORVEBHHPGL-IBGZPJMESA-N 0 0 390.439 4.260 40 10 GICBRN C[C@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)c1ccccc1 ZINC000005374699 204129418 /nfs/dbraw/zinc/12/94/18/204129418.db2.gz JNXCQHGFQWMGCL-IGWPVBGESA-N 0 0 382.510 4.009 40 10 GICBRN O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccccc1Br ZINC000005375855 204129425 /nfs/dbraw/zinc/12/94/25/204129425.db2.gz DGTPGHBPADRYGQ-LCYFTJDESA-N 0 0 377.288 4.250 40 10 GICBRN COc1cc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000004959408 205757548 /nfs/dbraw/zinc/75/75/48/205757548.db2.gz SYIBZGJJUGLAAE-BXTJHSDWSA-N 0 0 382.416 4.447 40 10 GICBRN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225402671 206046484 /nfs/dbraw/zinc/04/64/84/206046484.db2.gz TXFXIHTUYKUYAF-IAGOWNOFSA-N 0 0 380.488 4.185 40 10 GICBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000225657669 206063372 /nfs/dbraw/zinc/06/33/72/206063372.db2.gz BYALAKDHYNRRQN-INIZCTEOSA-N 0 0 384.549 4.374 40 10 GICBRN Cc1ccc(N(C)CCNC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000225795615 206076809 /nfs/dbraw/zinc/07/68/09/206076809.db2.gz PJHPUSRFUIMCOT-UHFFFAOYSA-N 0 0 392.366 4.489 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000408984645 533266503 /nfs/dbraw/zinc/26/65/03/533266503.db2.gz JJURKCXXYDUXMI-MOSHPQCFSA-N 0 0 377.440 4.393 40 10 GICBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408765838 533266539 /nfs/dbraw/zinc/26/65/39/533266539.db2.gz BNDPGPMMQPHZSE-NOEYKIMYSA-N 0 0 390.483 4.186 40 10 GICBRN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4ccnc4)cc3)cc2)C1 ZINC000044855834 132420202 /nfs/dbraw/zinc/42/02/02/132420202.db2.gz BOOBCMGNUXVWMY-IBGZPJMESA-N 0 0 388.515 4.098 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000408708800 533721424 /nfs/dbraw/zinc/72/14/24/533721424.db2.gz SYQAYKLJILPLLZ-FQEVSTJZSA-N 0 0 387.483 4.081 40 10 GICBRN COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2ccc(O)cc2)C1=O ZINC000408754240 533952844 /nfs/dbraw/zinc/95/28/44/533952844.db2.gz JGQVITFQPGUHSQ-XSFVSMFZSA-N 0 0 388.398 4.374 40 10 GICBRN O=C1N=C(Nc2ccccc2)SC1=Cc1ccc(O)c(Br)c1 ZINC000102354767 534780995 /nfs/dbraw/zinc/78/09/95/534780995.db2.gz AJDDSGSIJNGWSU-ZROIWOOFSA-N 0 0 375.247 4.237 40 10 GICBRN CCOc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cccc1OC ZINC000409341274 528165876 /nfs/dbraw/zinc/16/58/76/528165876.db2.gz AQRDMRLPOZOQFO-ATVHPVEESA-N 0 0 385.510 4.495 40 10 GICBRN CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409237593 528173765 /nfs/dbraw/zinc/17/37/65/528173765.db2.gz AFKULOCLWRGWLJ-DEDYPNTBSA-N 0 0 391.446 4.440 40 10 GICBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Br ZINC000409064955 528293415 /nfs/dbraw/zinc/29/34/15/528293415.db2.gz JOYXFZVHEJXGEM-GXDHUFHOSA-N 0 0 383.311 4.352 40 10 GICBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408797515 528616386 /nfs/dbraw/zinc/61/63/86/528616386.db2.gz SABVXPMABOARBY-GDNBJRDFSA-N 0 0 381.394 4.424 40 10 GICBRN CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S ZINC000034896189 570220404 /nfs/dbraw/zinc/22/04/04/570220404.db2.gz LWASNMNDPOZEPH-YFHOEESVSA-N 0 0 381.240 4.350 40 10 GICBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NC3CCCCC3)C2=O)cc1 ZINC000001181037 570255229 /nfs/dbraw/zinc/25/52/29/570255229.db2.gz BYYYTDZKJYHIKC-GHRIWEEISA-N 0 0 388.558 4.035 40 10 GICBRN C[C@@H]1CN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@@H](C)O1 ZINC000021673427 570294255 /nfs/dbraw/zinc/29/42/55/570294255.db2.gz AANABLUNKXOBFF-ARGWCVDVSA-N 0 0 383.879 4.187 40 10 GICBRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000001346165 570413501 /nfs/dbraw/zinc/41/35/01/570413501.db2.gz UGKWOQOOXLCXIM-OKILXGFUSA-N 0 0 398.488 4.273 40 10 GICBRN COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)CC2)cc1 ZINC000042124303 570618308 /nfs/dbraw/zinc/61/83/08/570618308.db2.gz PVTCVXDCCCRYOL-LJQANCHMSA-N 0 0 396.531 4.243 40 10 GICBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000083318706 570629184 /nfs/dbraw/zinc/62/91/84/570629184.db2.gz WFFNCQNWRTURFO-UYRXBGFRSA-N 0 0 379.456 4.450 40 10 GICBRN COc1cc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000004959410 570648851 /nfs/dbraw/zinc/64/88/51/570648851.db2.gz SYIBZGJJUGLAAE-AUSJPIAWSA-N 0 0 382.416 4.447 40 10 GICBRN CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)SC1=S ZINC000059502973 570659556 /nfs/dbraw/zinc/65/95/56/570659556.db2.gz YLDIZNPSNNXGIZ-XNTDXEJSSA-N 0 0 389.885 4.390 40 10 GICBRN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000408992352 570690588 /nfs/dbraw/zinc/69/05/88/570690588.db2.gz AKXMGNOXDVFHFO-AUWJEWJLSA-N 0 0 393.331 4.345 40 10 GICBRN Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 ZINC000013841722 570794240 /nfs/dbraw/zinc/79/42/40/570794240.db2.gz RXKHXLJPDCVYLK-GRSHGNNSSA-N 0 0 392.846 4.240 40 10 GICBRN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000014862454 570899224 /nfs/dbraw/zinc/89/92/24/570899224.db2.gz UPTKEHOGEFCOTP-AJMCHMBZSA-N 0 0 390.443 4.216 40 10 GICBRN Cc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000032109500 570961261 /nfs/dbraw/zinc/96/12/61/570961261.db2.gz KMJVPAJTQUXWQB-AQTBWJFISA-N 0 0 385.510 4.284 40 10 GICBRN CCc1ccccc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000004541606 817530972 /nfs/dbraw/zinc/53/09/72/817530972.db2.gz MXZOOORTWBEJRJ-UHFFFAOYSA-N 0 0 376.456 4.452 40 10 GICBRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000004541617 817531049 /nfs/dbraw/zinc/53/10/49/817531049.db2.gz IWWBIUCFHKUTLH-SFHVURJKSA-N 0 0 376.456 4.128 40 10 GICBRN O=C1NC(=S)S/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000113834157 231022844 /nfs/dbraw/zinc/02/28/44/231022844.db2.gz XEDRJKYCKCVNMT-RQZCQDPDSA-N 0 0 395.465 4.087 40 10 GICBRN O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409341872 231192520 /nfs/dbraw/zinc/19/25/20/231192520.db2.gz CPJORBCNDPPUDO-GIDUJCDVSA-N 0 0 391.857 4.180 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000409342329 231192675 /nfs/dbraw/zinc/19/26/75/231192675.db2.gz DFYLMAMPFRYDST-YBEGLDIGSA-N 0 0 386.454 4.318 40 10 GICBRN CCCCCOC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S ZINC000005824980 204152846 /nfs/dbraw/zinc/15/28/46/204152846.db2.gz HMVLMQXNPOMKEP-DTQAZKPQSA-N 0 0 377.531 4.320 40 10 GICBRN COc1cccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)c1 ZINC000006093721 204164365 /nfs/dbraw/zinc/16/43/65/204164365.db2.gz INZAMVGPHVTDJD-LICLKQGHSA-N 0 0 387.482 4.118 40 10 GICBRN CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccccc3Cl)cc2)SC1=S ZINC000005374779 204129524 /nfs/dbraw/zinc/12/95/24/204129524.db2.gz VQTZUOQZUMMTIC-XNTDXEJSSA-N 0 0 388.901 4.423 40 10 GICBRN CCc1ccccc1N1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=S ZINC000005552106 204138309 /nfs/dbraw/zinc/13/83/09/204138309.db2.gz MXGRUSMXPWTLOF-NXVVXOECSA-N 0 0 384.457 4.116 40 10 GICBRN CC(=O)c1ccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000005551926 204138608 /nfs/dbraw/zinc/13/86/08/204138608.db2.gz AFZQEFKGYBPTRR-YBEGLDIGSA-N 0 0 384.438 4.203 40 10 GICBRN Cc1ccc(C)c(N2C(=O)/C(=C3\c4ccccc4N(C)C3=O)SC2=S)c1 ZINC000005552071 204139368 /nfs/dbraw/zinc/13/93/68/204139368.db2.gz INUVGERHMOTPQA-MSUUIHNZSA-N 0 0 380.494 4.056 40 10 GICBRN COc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000006713553 204194099 /nfs/dbraw/zinc/19/40/99/204194099.db2.gz BKVJDXRLWJAQRT-KSMMKXTCSA-N 0 0 397.387 4.347 40 10 GICBRN COc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCC3)cc2)cc1OC ZINC000013668534 204501921 /nfs/dbraw/zinc/50/19/21/204501921.db2.gz AGUYTYABRIKRLY-UKTHLTGXSA-N 0 0 380.488 4.024 40 10 GICBRN COc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000096006222 205516072 /nfs/dbraw/zinc/51/60/72/205516072.db2.gz BKVJDXRLWJAQRT-LPMFXHHGSA-N 0 0 397.387 4.347 40 10 GICBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(F)c1 ZINC000016712733 205906347 /nfs/dbraw/zinc/90/63/47/205906347.db2.gz HAAPMFBRWYGDNO-BJXWFGTRSA-N 0 0 398.484 4.222 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000222781924 205987692 /nfs/dbraw/zinc/98/76/92/205987692.db2.gz APGOAGLBNPYBLT-LEWJYISDSA-N 0 0 376.529 4.482 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000222793772 205988024 /nfs/dbraw/zinc/98/80/24/205988024.db2.gz WWFOSLCJMTXXTL-NHCUHLMSSA-N 0 0 391.544 4.185 40 10 GICBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ncc(Cl)cc1Cl ZINC000223949148 206009377 /nfs/dbraw/zinc/00/93/77/206009377.db2.gz JHKXHYBAKIBKFU-UHFFFAOYSA-N 0 0 381.332 4.475 40 10 GICBRN FC(F)(F)c1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 ZINC000225560080 206056644 /nfs/dbraw/zinc/05/66/44/206056644.db2.gz AOJUCHLSDDTHHR-UHFFFAOYSA-N 0 0 379.451 4.445 40 10 GICBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cn1 ZINC000225671889 206065804 /nfs/dbraw/zinc/06/58/04/206065804.db2.gz VAKOSJLHQHKSLV-CVEARBPZSA-N 0 0 384.549 4.374 40 10 GICBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCO4)cc2)C1 ZINC000225690325 206068249 /nfs/dbraw/zinc/06/82/49/206068249.db2.gz UULAAXVUOBGDOM-HNNXBMFYSA-N 0 0 383.517 4.138 40 10 GICBRN O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCCCC2)cc1 ZINC000225811778 206078878 /nfs/dbraw/zinc/07/88/78/206078878.db2.gz CIDCMYLQHDCOPH-UHFFFAOYSA-N 0 0 392.421 4.391 40 10 GICBRN CC(C)Oc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225839337 206080334 /nfs/dbraw/zinc/08/03/34/206080334.db2.gz FKKIDZZEFMMNNN-KRWDZBQOSA-N 0 0 399.560 4.358 40 10 GICBRN CC[C@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S ZINC000001282575 206212848 /nfs/dbraw/zinc/21/28/48/206212848.db2.gz XBSIKJYXXADXMH-ATTDUZETSA-N 0 0 377.531 4.353 40 10 GICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000409017924 533266804 /nfs/dbraw/zinc/26/68/04/533266804.db2.gz JUNFUTULCVGVRK-PDGQHHTCSA-N 0 0 392.411 4.089 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000408583648 533267360 /nfs/dbraw/zinc/26/73/60/533267360.db2.gz JAHHFMBZCAAELQ-BOPFTXTBSA-N 0 0 398.802 4.125 40 10 GICBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408893374 533265163 /nfs/dbraw/zinc/26/51/63/533265163.db2.gz MTEXNZJCOJMIHL-RVDMUPIBSA-N 0 0 377.843 4.484 40 10 GICBRN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1C ZINC000409328974 533474038 /nfs/dbraw/zinc/47/40/38/533474038.db2.gz BIBUMTAJAFVREC-YBEGLDIGSA-N 0 0 386.454 4.318 40 10 GICBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(C)=O ZINC000409338109 533474469 /nfs/dbraw/zinc/47/44/69/533474469.db2.gz DDDMHIPGRUKXML-BOPFTXTBSA-N 0 0 385.466 4.026 40 10 GICBRN C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000140010742 136193041 /nfs/dbraw/zinc/19/30/41/136193041.db2.gz ZIHWCRXEFRBWRU-CYBMUJFWSA-N 0 0 393.915 4.363 40 10 GICBRN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000218175119 136203654 /nfs/dbraw/zinc/20/36/54/136203654.db2.gz PZWSEAOMNVNBQI-KRWDZBQOSA-N 0 0 382.504 4.431 40 10 GICBRN C[C@H]1CCCN(c2ccc(CNC(=O)COc3cccc4c3CCCC4)cc2)C1 ZINC000223210017 136205645 /nfs/dbraw/zinc/20/56/45/136205645.db2.gz AGWPOGZBAOPGMQ-IBGZPJMESA-N 0 0 392.543 4.497 40 10 GICBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)c(F)c3)C2=O)cc1 ZINC000409251361 533911146 /nfs/dbraw/zinc/91/11/46/533911146.db2.gz PPONRPJSXHWXDA-XSFVSMFZSA-N 0 0 393.462 4.217 40 10 GICBRN COc1ccc(N2C(=O)/C(=C\C=C\c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000113831168 533994588 /nfs/dbraw/zinc/99/45/88/533994588.db2.gz UJHJRRNMPTUVAJ-WSYLNHOOSA-N 0 0 397.477 4.386 40 10 GICBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1C ZINC000409014294 534286835 /nfs/dbraw/zinc/28/68/35/534286835.db2.gz IKGMFLDWAFHJEQ-WOJGMQOQSA-N 0 0 398.484 4.325 40 10 GICBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1ccccc1 ZINC000103917921 528064790 /nfs/dbraw/zinc/06/47/90/528064790.db2.gz GQFKGSZAPZUSRO-PGMHBOJBSA-N 0 0 392.459 4.204 40 10 GICBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccco1 ZINC000112120728 528066909 /nfs/dbraw/zinc/06/69/09/528066909.db2.gz HOXJIODXTQGOCX-AQTBWJFISA-N 0 0 380.473 4.456 40 10 GICBRN CCCN1C(=O)N/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O ZINC000409251609 528173719 /nfs/dbraw/zinc/17/37/19/528173719.db2.gz UZEKNWCNYJFNPX-MHWRWJLKSA-N 0 0 387.867 4.059 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408770165 528482363 /nfs/dbraw/zinc/48/23/63/528482363.db2.gz UFYGKROTTHTYOI-ZHZULCJRSA-N 0 0 377.440 4.271 40 10 GICBRN CCCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1Br ZINC000409338370 528640905 /nfs/dbraw/zinc/64/09/05/528640905.db2.gz ISYIXDSBLAFHNX-UKTHLTGXSA-N 0 0 386.336 4.459 40 10 GICBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408902154 528842140 /nfs/dbraw/zinc/84/21/40/528842140.db2.gz KZIZTQCSGHXACX-SFQUDFHCSA-N 0 0 399.493 4.034 40 10 GICBRN CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2)SC1=S ZINC000409346041 528943414 /nfs/dbraw/zinc/94/34/14/528943414.db2.gz MUJQLDDSADRVKC-JXAWBTAJSA-N 0 0 385.510 4.366 40 10 GICBRN CCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S ZINC000409210476 528945350 /nfs/dbraw/zinc/94/53/50/528945350.db2.gz KKKDQXYYZIIJET-NTEUORMPSA-N 0 0 387.442 4.003 40 10 GICBRN COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000217946526 537090634 /nfs/dbraw/zinc/09/06/34/537090634.db2.gz HWEAMSGSQHEXNZ-SFHVURJKSA-N 0 0 382.504 4.188 40 10 GICBRN CCCCCOC(=O)c1c2cc(C)ccn2c2c1C(=O)c1ccccc1C2=O ZINC000005234109 570250170 /nfs/dbraw/zinc/25/01/70/570250170.db2.gz UOEOADYPTOLIQZ-UHFFFAOYSA-N 0 0 375.424 4.370 40 10 GICBRN CC(C)N(C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1)C(C)C ZINC000001346192 570260857 /nfs/dbraw/zinc/26/08/57/570260857.db2.gz SZUBXBCWLJVIPE-UHFFFAOYSA-N 0 0 386.477 4.129 40 10 GICBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccn1 ZINC000222598050 570415980 /nfs/dbraw/zinc/41/59/80/570415980.db2.gz LJOOGVLKWLAFRE-JHVJFLLYSA-N 0 0 389.528 4.473 40 10 GICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(F)c1 ZINC000222738892 570423220 /nfs/dbraw/zinc/42/32/20/570423220.db2.gz RUYWECJVFXGJLP-UXHICEINSA-N 0 0 380.492 4.231 40 10 GICBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408762017 570471159 /nfs/dbraw/zinc/47/11/59/570471159.db2.gz JKGHYNRJBUSSLX-RCCKNPSSSA-N 0 0 398.418 4.013 40 10 GICBRN COc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260466121 570493752 /nfs/dbraw/zinc/49/37/52/570493752.db2.gz FHOMWHJYHFWFIE-ROUUACIJSA-N 0 0 382.504 4.188 40 10 GICBRN COc1ccc(C[C@H]2SC(=S)N(CCC3CCCCC3)C2=O)c(OC)c1 ZINC000008115199 570522561 /nfs/dbraw/zinc/52/25/61/570522561.db2.gz HFIKVYWFHCHIPF-GOSISDBHSA-N 0 0 393.574 4.446 40 10 GICBRN CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S ZINC000004838771 570633745 /nfs/dbraw/zinc/63/37/45/570633745.db2.gz JYRISJDZXKSIOQ-ATVHPVEESA-N 0 0 399.493 4.136 40 10 GICBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000409006952 570692784 /nfs/dbraw/zinc/69/27/84/570692784.db2.gz LONBUMBPLOAPDR-RGEXLXHISA-N 0 0 376.416 4.001 40 10 GICBRN O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000013494746 570849127 /nfs/dbraw/zinc/84/91/27/570849127.db2.gz PXJJZDZMDXJFRG-SILNSSARSA-N 0 0 393.446 4.132 40 10 GICBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(O)c(Cl)c3)SC2=S)cc1 ZINC000016216651 570918110 /nfs/dbraw/zinc/91/81/10/570918110.db2.gz NFWNAJQDMHTJAW-SXGWCWSVSA-N 0 0 391.901 4.456 40 10 GICBRN CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000001276843 570952313 /nfs/dbraw/zinc/95/23/13/570952313.db2.gz HHVDSQYCLBSCFS-GDNBJRDFSA-N 0 0 377.531 4.137 40 10 GICBRN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000003028067 817412021 /nfs/dbraw/zinc/41/20/21/817412021.db2.gz ITBXEAMONYHCRK-BOPFTXTBSA-N 0 0 399.834 4.439 40 10 GICBRN CCc1ccccc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 ZINC000007379233 817827816 /nfs/dbraw/zinc/82/78/16/817827816.db2.gz JKMRHSHXEGTSMG-UHFFFAOYSA-N 0 0 376.456 4.452 40 10 GICBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccccc1Br ZINC000408815087 231117218 /nfs/dbraw/zinc/11/72/18/231117218.db2.gz IFZDBDIENVKDJF-ZSOIEALJSA-N 0 0 377.263 4.181 40 10 GICBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)c1 ZINC000409350579 231194916 /nfs/dbraw/zinc/19/49/16/231194916.db2.gz YBHJXGLSQCBBHV-RGEXLXHISA-N 0 0 396.537 4.237 40 10 GICBRN CCOc1ccc(NC2=NC(=O)C(=Cc3nc4ccccc4n3C)S2)cc1 ZINC000005236010 204120488 /nfs/dbraw/zinc/12/04/88/204120488.db2.gz BYQHEWWTPVUAAO-SFQUDFHCSA-N 0 0 378.457 4.054 40 10 GICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)c1 ZINC000005372156 204129087 /nfs/dbraw/zinc/12/90/87/204129087.db2.gz YYOYUEGHWORIHC-WQRHYEAKSA-N 0 0 382.510 4.361 40 10 GICBRN CN1C(=O)/C(=C/c2ccc(C(=O)NC3CCCCCCC3)cc2)SC1=S ZINC000005374696 204129221 /nfs/dbraw/zinc/12/92/21/204129221.db2.gz GKTNWWYXOWOGBA-LGMDPLHJSA-N 0 0 388.558 4.360 40 10 GICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)c1 ZINC000005551930 204139473 /nfs/dbraw/zinc/13/94/73/204139473.db2.gz VVLKIMPUZHRCRK-SXGWCWSVSA-N 0 0 384.438 4.203 40 10 GICBRN CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(C)=O)ccc3o2)cc1 ZINC000006630104 204187254 /nfs/dbraw/zinc/18/72/54/204187254.db2.gz PBZJPDDBQHAGTI-UHFFFAOYSA-N 0 0 382.489 4.174 40 10 GICBRN Cc1nc2ccc(F)cc2cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000019718322 204677105 /nfs/dbraw/zinc/67/71/05/204677105.db2.gz PASFMTDHHYRGFZ-HNNXBMFYSA-N 0 0 393.462 4.010 40 10 GICBRN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000101062892 205614946 /nfs/dbraw/zinc/61/49/46/205614946.db2.gz QCDSWJFNCYSVGK-MHWRWJLKSA-N 0 0 386.205 4.163 40 10 GICBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1ccccc1 ZINC000000924843 205702915 /nfs/dbraw/zinc/70/29/15/205702915.db2.gz RWWVJRRWMJUIFZ-IBGZPJMESA-N 0 0 393.512 4.460 40 10 GICBRN COc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000004359609 205745199 /nfs/dbraw/zinc/74/51/99/205745199.db2.gz JACQCXFZZZQGAS-QNGOZBTKSA-N 0 0 399.406 4.438 40 10 GICBRN CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4ccccc4)N=C3C)sc2c1 ZINC000100552367 205804564 /nfs/dbraw/zinc/80/45/64/205804564.db2.gz RFNWTBFVJGCQIK-VBKFSLOCSA-N 0 0 378.457 4.414 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000222781862 205988004 /nfs/dbraw/zinc/98/80/04/205988004.db2.gz APGOAGLBNPYBLT-RTWAWAEBSA-N 0 0 376.529 4.482 40 10 GICBRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1F ZINC000225608145 206061552 /nfs/dbraw/zinc/06/15/52/206061552.db2.gz GAXIODMSAXETTH-KRWDZBQOSA-N 0 0 390.524 4.410 40 10 GICBRN C[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225752040 206072159 /nfs/dbraw/zinc/07/21/59/206072159.db2.gz NIDSYBYZOBCXTH-HXUWFJFHSA-N 0 0 392.543 4.288 40 10 GICBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1OC ZINC000225694390 206066868 /nfs/dbraw/zinc/06/68/68/206066868.db2.gz JJFHGKQNASLGFR-OAHLLOKOSA-N 0 0 385.533 4.352 40 10 GICBRN CN(C)c1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)cc1 ZINC000096112669 206117426 /nfs/dbraw/zinc/11/74/26/206117426.db2.gz DKGXFGGXDSOMOZ-NRFANRHFSA-N 0 0 396.922 4.370 40 10 biogenic,in-vitro GICBRN COc1ccc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)cc1 ZINC000054361125 206210179 /nfs/dbraw/zinc/21/01/79/206210179.db2.gz SQRPXCQCGHHJES-YVLHZVERSA-N 0 0 379.466 4.044 40 10 GICBRN CN1CCCc2cc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)ccc21 ZINC000054360861 206210590 /nfs/dbraw/zinc/21/05/90/206210590.db2.gz AJQKAJQJMNMIAA-WQRHYEAKSA-N 0 0 382.510 4.180 40 10 GICBRN O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1CCc1ccccc1 ZINC000054361198 206210627 /nfs/dbraw/zinc/21/06/27/206210627.db2.gz QZTMODQFHJXKAL-PDGQHHTCSA-N 0 0 377.494 4.074 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000408893201 533267416 /nfs/dbraw/zinc/26/74/16/533267416.db2.gz LATSUBIHMYWLHK-UYRXBGFRSA-N 0 0 395.480 4.294 40 10 GICBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409060000 533265640 /nfs/dbraw/zinc/26/56/40/533265640.db2.gz UEZGYVVXQGYYRS-NDENLUEZSA-N 0 0 396.462 4.314 40 10 GICBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000058884206 533265749 /nfs/dbraw/zinc/26/57/49/533265749.db2.gz JOPGHHXTMZBZQJ-BKUYFWCQSA-N 0 0 392.499 4.423 40 10 GICBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1OC ZINC000408895695 533266668 /nfs/dbraw/zinc/26/66/68/533266668.db2.gz VNYVGCLTUWUXOM-NOMGLIDZSA-N 0 0 377.440 4.129 40 10 GICBRN Nc1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000098181470 136188954 /nfs/dbraw/zinc/18/89/54/136188954.db2.gz DEYSOXZODQBMAU-UHFFFAOYSA-N 0 0 399.494 4.340 40 10 GICBRN COc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000222793579 136205064 /nfs/dbraw/zinc/20/50/64/136205064.db2.gz RXUBOCRQFCAMKE-QZTJIDSGSA-N 0 0 382.504 4.188 40 10 GICBRN COc1ccccc1/C=C1/C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409036362 533952915 /nfs/dbraw/zinc/95/29/15/533952915.db2.gz VUZFZVKHNUDRKH-JXMROGBWSA-N 0 0 382.288 4.197 40 10 GICBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000408763995 533957999 /nfs/dbraw/zinc/95/79/99/533957999.db2.gz VJFYGOAIRJVOMF-LTGZKZEYSA-N 0 0 382.419 4.308 40 10 GICBRN Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)s1 ZINC000409352184 534248040 /nfs/dbraw/zinc/24/80/40/534248040.db2.gz WTFYHHQYBLAUEF-MDWZMJQESA-N 0 0 394.930 4.256 40 10 GICBRN CC(C)COC(=O)CN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S ZINC000004482886 528069084 /nfs/dbraw/zinc/06/90/84/528069084.db2.gz NNGNAJFRIPXQEA-CXUHLZMHSA-N 0 0 377.531 4.210 40 10 GICBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC ZINC000409206034 528195733 /nfs/dbraw/zinc/19/57/33/528195733.db2.gz USVQRHVSUAJUQO-GZTJUZNOSA-N 0 0 388.514 4.050 40 10 GICBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408532898 528197068 /nfs/dbraw/zinc/19/70/68/528197068.db2.gz WQYPIZLRZRYLND-YVLHZVERSA-N 0 0 389.473 4.292 40 10 GICBRN CCCCNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 ZINC000112121178 528450339 /nfs/dbraw/zinc/45/03/39/528450339.db2.gz YAJVHJRXGBVUKG-HKWRFOASSA-N 0 0 381.451 4.249 40 10 GICBRN COc1ccc(N2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044598400 536679121 /nfs/dbraw/zinc/67/91/21/536679121.db2.gz YEIKYVGXGBMPHR-UHFFFAOYSA-N 0 0 393.314 4.283 40 10 GICBRN COc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000217840605 536839094 /nfs/dbraw/zinc/83/90/94/536839094.db2.gz POHNPQDEWOMBPQ-SFHVURJKSA-N 0 0 382.504 4.188 40 10 GICBRN Oc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000329041432 570214361 /nfs/dbraw/zinc/21/43/61/570214361.db2.gz SJODTNTUQWKTST-UHFFFAOYSA-N 0 0 395.894 4.230 40 10 GICBRN Oc1ccc(O)c2c1CN(Cc1ccccc1)C(=S)N(Cc1ccccc1)C2 ZINC000001680962 570267374 /nfs/dbraw/zinc/26/73/74/570267374.db2.gz IPVHDFACTCXUEK-UHFFFAOYSA-N 0 0 390.508 4.401 40 10 GICBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCC1 ZINC000002701136 570295688 /nfs/dbraw/zinc/29/56/88/570295688.db2.gz PAAVEWQTLCEKEC-ICFOKQHNSA-N 0 0 388.558 4.071 40 10 GICBRN COc1ccc(Br)cc1/C=C1/SC(N2CCCCCC2)=NC1=O ZINC000002805710 570303776 /nfs/dbraw/zinc/30/37/76/570303776.db2.gz YAUOTEBJFFZFOO-RVDMUPIBSA-N 0 0 395.322 4.304 40 10 GICBRN CCN1C(=O)[C@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S ZINC000006952551 570397815 /nfs/dbraw/zinc/39/78/15/570397815.db2.gz HZCHKVJDBXDPMG-KRWDZBQOSA-N 0 0 375.490 4.196 40 10 GICBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)cc2F)S1 ZINC000222593540 570415803 /nfs/dbraw/zinc/41/58/03/570415803.db2.gz OZHHLQRZIWMION-XMCHAPAWSA-N 0 0 382.508 4.410 40 10 GICBRN COC(=O)c1ccc([C@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004151430 570619302 /nfs/dbraw/zinc/61/93/02/570619302.db2.gz WTGRLGCHWTUYKT-TXPKVOOTSA-N 0 0 380.400 4.217 40 10 GICBRN CSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408991209 570690278 /nfs/dbraw/zinc/69/02/78/570690278.db2.gz PRKNHGDRKOAORZ-IBGZPJMESA-N 0 0 380.517 4.029 40 10 GICBRN CC1(C)Cc2ccccc2C(=C(N=Nc2ccc(Br)cc2)C(N)=O)N1 ZINC000257345395 570911121 /nfs/dbraw/zinc/91/11/21/570911121.db2.gz BNBOUMIJPUPSKC-DJSXREBNSA-N 0 0 399.292 4.311 40 10 GICBRN COC(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000016292323 570921053 /nfs/dbraw/zinc/92/10/53/570921053.db2.gz SJPIEHLJSAEHGH-BOPFTXTBSA-N 0 0 383.494 4.183 40 10 GICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)SC2=S)c1 ZINC000027230434 570971131 /nfs/dbraw/zinc/97/11/31/570971131.db2.gz PFEUYUPKBRNQBF-MHWRWJLKSA-N 0 0 379.466 4.171 40 10 GICBRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000004541618 817531084 /nfs/dbraw/zinc/53/10/84/817531084.db2.gz IWWBIUCFHKUTLH-GOSISDBHSA-N 0 0 376.456 4.128 40 10 GICBRN CCOc1ccccc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 ZINC000007379399 817827995 /nfs/dbraw/zinc/82/79/95/817827995.db2.gz MPXHWVOUODLGAE-UHFFFAOYSA-N 0 0 392.455 4.288 40 10 GICBRN COc1ccc(CN2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=S)cc1 ZINC000008117190 818002872 /nfs/dbraw/zinc/00/28/72/818002872.db2.gz SGUIGVDENHRSJP-INIZCTEOSA-N 0 0 377.918 4.320 40 10 GICBRN COc1cccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)c1OC ZINC000408723295 231106098 /nfs/dbraw/zinc/10/60/98/231106098.db2.gz STOAQODDPOVEOK-UVTDQMKNSA-N 0 0 387.229 4.448 40 10 GICBRN Cc1cccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(O)cc2)c1 ZINC000408846188 231120737 /nfs/dbraw/zinc/12/07/37/231120737.db2.gz XTCZRWTZMJBILC-XSFVSMFZSA-N 0 0 399.406 4.443 40 10 GICBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409234680 231184580 /nfs/dbraw/zinc/18/45/80/231184580.db2.gz XCTBQZOIPQKOLA-LDADJPATSA-N 0 0 392.846 4.240 40 10 GICBRN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1cccs1 ZINC000001471569 203911303 /nfs/dbraw/zinc/91/13/03/203911303.db2.gz DDEYIRDVKLBIOS-VBKFSLOCSA-N 0 0 389.933 4.194 40 10 GICBRN O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(O)c1 ZINC000002361621 203940488 /nfs/dbraw/zinc/94/04/88/203940488.db2.gz FRVGXZYSWCACAO-ATVHPVEESA-N 0 0 398.509 4.012 40 10 GICBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@@H]21 ZINC000004172128 204029840 /nfs/dbraw/zinc/02/98/40/204029840.db2.gz PHGUIQBXOQJKPJ-UWVAXJGDSA-N 0 0 377.440 4.476 40 10 GICBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c(OC)c1 ZINC000005371760 204128512 /nfs/dbraw/zinc/12/85/12/204128512.db2.gz JUGXNVWEHBHWAO-SXGWCWSVSA-N 0 0 375.446 4.249 40 10 GICBRN COC(=O)c1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 ZINC000005371720 204128125 /nfs/dbraw/zinc/12/81/25/204128125.db2.gz QPFCWINSJNIKRQ-YVLHZVERSA-N 0 0 397.477 4.082 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000006078803 204164242 /nfs/dbraw/zinc/16/42/42/204164242.db2.gz VDRDVBLIXMTJPY-LFIBNONCSA-N 0 0 386.454 4.399 40 10 GICBRN COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 ZINC000005371279 204128691 /nfs/dbraw/zinc/12/86/91/204128691.db2.gz DDLDDCWPZUCKBN-AQTBWJFISA-N 0 0 385.510 4.148 40 10 GICBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 ZINC000005371715 204128696 /nfs/dbraw/zinc/12/86/96/204128696.db2.gz GLFRUDSRPTVRQW-ATVHPVEESA-N 0 0 383.494 4.441 40 10 GICBRN CCCCc1ccc(NC2=NC(=O)C(=C3c4ccccc4N(C)C3=O)S2)cc1 ZINC000005373311 204129379 /nfs/dbraw/zinc/12/93/79/204129379.db2.gz KHMVSNPLRHUHDT-HNENSFHCSA-N 0 0 391.496 4.458 40 10 GICBRN CCCCc1ccc(NC2=NC(=O)C(=C3c4ccccc4NC3=O)S2)cc1 ZINC000005373291 204129748 /nfs/dbraw/zinc/12/97/48/204129748.db2.gz GGGBBXDHMWHQTF-ZCXUNETKSA-N 0 0 377.469 4.434 40 10 GICBRN CCc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 ZINC000005373185 204129754 /nfs/dbraw/zinc/12/97/54/204129754.db2.gz XCOUCGDFFBEGEJ-HKWRFOASSA-N 0 0 395.503 4.181 40 10 GICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1 ZINC000005551950 204138792 /nfs/dbraw/zinc/13/87/92/204138792.db2.gz NZFNVLYLHHRAPK-SXGWCWSVSA-N 0 0 384.438 4.203 40 10 GICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccn1 ZINC000222597927 205982552 /nfs/dbraw/zinc/98/25/52/205982552.db2.gz LJOOGVLKWLAFRE-RVHYNSKXSA-N 0 0 389.528 4.473 40 10 GICBRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000224944189 206031182 /nfs/dbraw/zinc/03/11/82/206031182.db2.gz QPIJLESVZYGQRM-GOSISDBHSA-N 0 0 378.516 4.249 40 10 GICBRN CCN(CCCNC(=O)c1cc(Cl)ccc1OC)c1ccc(OC)cc1 ZINC000225041702 206034797 /nfs/dbraw/zinc/03/47/97/206034797.db2.gz PCAHNOPJPXTRGL-UHFFFAOYSA-N 0 0 376.884 4.004 40 10 GICBRN Cc1cc(NC(=S)NCCN(C)c2ccccc2)ccc1Br ZINC000225570780 206056392 /nfs/dbraw/zinc/05/63/92/206056392.db2.gz VRUXXNNWFRZRJC-UHFFFAOYSA-N 0 0 378.339 4.180 40 10 GICBRN COc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1Cl ZINC000225559607 206057623 /nfs/dbraw/zinc/05/76/23/206057623.db2.gz YRYJETRIIIIYPU-UHFFFAOYSA-N 0 0 375.925 4.088 40 10 GICBRN COc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225671986 206065624 /nfs/dbraw/zinc/06/56/24/206065624.db2.gz ACDMPTAJBJJZJQ-HZPDHXFCSA-N 0 0 384.549 4.374 40 10 GICBRN COc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1Cl ZINC000225745600 206073372 /nfs/dbraw/zinc/07/33/72/206073372.db2.gz UQUQTPLHVQRDQW-UHFFFAOYSA-N 0 0 389.952 4.478 40 10 GICBRN Cc1ccc(N(C)CCNC(=S)Nc2ccc(Br)cc2)cc1 ZINC000225795130 206077140 /nfs/dbraw/zinc/07/71/40/206077140.db2.gz PFWCTUFVIAFUMS-UHFFFAOYSA-N 0 0 378.339 4.180 40 10 GICBRN COc1ccc2c(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c[nH]c2c1 ZINC000054360764 206210032 /nfs/dbraw/zinc/21/00/32/206210032.db2.gz LOZOOALSMZHYEU-IUXPMGMMSA-N 0 0 382.466 4.288 40 10 GICBRN COc1cc(N2N=C(C)/C(=C/NC(=O)Nc3cccc(C)c3)C2=O)ccc1Cl ZINC000408526773 532961049 /nfs/dbraw/zinc/96/10/49/532961049.db2.gz CJXOTTYPWJVAIF-WJDWOHSUSA-N 0 0 398.850 4.085 40 10 GICBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@@H]21 ZINC000409160486 533132795 /nfs/dbraw/zinc/13/27/95/533132795.db2.gz QECQYVUFVPTCPJ-TYILLQQXSA-N 0 0 382.416 4.447 40 10 GICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000409019601 533266798 /nfs/dbraw/zinc/26/67/98/533266798.db2.gz UUBIBXRUBXZPPB-MOSHPQCFSA-N 0 0 377.440 4.189 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000059435716 533267180 /nfs/dbraw/zinc/26/71/80/533267180.db2.gz AKNVBKQATHAABN-WJDWOHSUSA-N 0 0 398.802 4.125 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1O ZINC000409023190 533266574 /nfs/dbraw/zinc/26/65/74/533266574.db2.gz XPGKSELTBUNFFC-YBEGLDIGSA-N 0 0 383.831 4.231 40 10 GICBRN C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000065222430 136160325 /nfs/dbraw/zinc/16/03/25/136160325.db2.gz ZIHWCRXEFRBWRU-ZDUSSCGKSA-N 0 0 393.915 4.363 40 10 GICBRN COc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000217840673 136203460 /nfs/dbraw/zinc/20/34/60/136203460.db2.gz POHNPQDEWOMBPQ-GOSISDBHSA-N 0 0 382.504 4.188 40 10 GICBRN Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000408718928 534260931 /nfs/dbraw/zinc/26/09/31/534260931.db2.gz BOMACQYNZNNSTB-SFQUDFHCSA-N 0 0 382.510 4.103 40 10 GICBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(C)=C2C(=O)OC)cc1 ZINC000408764699 528369833 /nfs/dbraw/zinc/36/98/33/528369833.db2.gz ABCWREJKPKHEHL-ZHZULCJRSA-N 0 0 377.440 4.271 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)C(C(=O)OC)=C2C)cc1 ZINC000408797522 528482947 /nfs/dbraw/zinc/48/29/47/528482947.db2.gz SHYAJDPAUZJIEH-AQTBWJFISA-N 0 0 381.403 4.102 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(O)c1 ZINC000100208052 528616418 /nfs/dbraw/zinc/61/64/18/528616418.db2.gz MKLWJFOFZIWOOC-MOSHPQCFSA-N 0 0 377.440 4.276 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000408896239 528617048 /nfs/dbraw/zinc/61/70/48/528617048.db2.gz WXXNGJCRBYIEAC-ZHZULCJRSA-N 0 0 393.439 4.058 40 10 GICBRN CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000106743192 528807919 /nfs/dbraw/zinc/80/79/19/528807919.db2.gz OVEHNUBHKAMFEO-WQRHYEAKSA-N 0 0 398.484 4.002 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000222786476 570425861 /nfs/dbraw/zinc/42/58/61/570425861.db2.gz QCGNBJODABRYJH-NHCUHLMSSA-N 0 0 392.528 4.187 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222793372 570426086 /nfs/dbraw/zinc/42/60/86/570426086.db2.gz MYCDXOBMPNJDJD-UXHICEINSA-N 0 0 391.544 4.185 40 10 GICBRN COc1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466199 570493744 /nfs/dbraw/zinc/49/37/44/570493744.db2.gz HKHSFVLNYLIUKP-ZWKOTPCHSA-N 0 0 382.504 4.188 40 10 GICBRN O=C(N[C@H](c1ccc2c(c1)OCO2)c1ccc2cccnc2c1O)c1ccccc1 ZINC000001204076 570563856 /nfs/dbraw/zinc/56/38/56/570563856.db2.gz IQPSMMFOEYJSBP-OAQYLSRUSA-N 0 0 398.418 4.189 40 10 GICBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc(F)c1 ZINC000001346183 570572154 /nfs/dbraw/zinc/57/21/54/570572154.db2.gz LYAVWXPPSFGSPZ-UHFFFAOYSA-N 0 0 396.403 4.262 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)S1 ZINC000409026406 570694606 /nfs/dbraw/zinc/69/46/06/570694606.db2.gz OFDDTAUSAYNVRU-YVLHZVERSA-N 0 0 386.860 4.025 40 10 GICBRN COc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260732675 570701036 /nfs/dbraw/zinc/70/10/36/570701036.db2.gz ACDMPTAJBJJZJQ-JKSUJKDBSA-N 0 0 384.549 4.374 40 10 GICBRN COc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260732670 570701156 /nfs/dbraw/zinc/70/11/56/570701156.db2.gz ACDMPTAJBJJZJQ-HOTGVXAUSA-N 0 0 384.549 4.374 40 10 GICBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S ZINC000002409116 570719873 /nfs/dbraw/zinc/71/98/73/570719873.db2.gz NSHOCVCLIRSZMM-MHWRWJLKSA-N 0 0 387.892 4.234 40 10 GICBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000005718551 570734550 /nfs/dbraw/zinc/73/45/50/570734550.db2.gz VXCMACFFTOFAEB-LICLKQGHSA-N 0 0 389.473 4.292 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(C)c3)C(C(=O)OC)=C2C)cc1 ZINC000006962898 570754074 /nfs/dbraw/zinc/75/40/74/570754074.db2.gz OMIGMFPTAMQZNJ-ZHZULCJRSA-N 0 0 377.440 4.271 40 10 GICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000014414966 570891557 /nfs/dbraw/zinc/89/15/57/570891557.db2.gz BQEAJARKBPKCRB-HKWRFOASSA-N 0 0 379.431 4.131 40 10 GICBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCc1ccc(OC)cc1 ZINC000018202521 570951681 /nfs/dbraw/zinc/95/16/81/570951681.db2.gz GCNIJGGROXPCLG-HKWRFOASSA-N 0 0 381.451 4.053 40 10 GICBRN C#CCOc1c(Cl)cc(C=C2SC(Nc3ccccc3)=NC2=O)cc1OC ZINC000007165638 817777915 /nfs/dbraw/zinc/77/79/15/817777915.db2.gz LZPNNFJPMLAYTM-ATVHPVEESA-N 0 0 398.871 4.443 40 10 GICBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000007378586 817827300 /nfs/dbraw/zinc/82/73/00/817827300.db2.gz VYDJCCOBJLYNRB-SFHVURJKSA-N 0 0 376.456 4.128 40 10 GICBRN COc1ccc(N2CCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000008138781 818006623 /nfs/dbraw/zinc/00/66/23/818006623.db2.gz JCCQTCAVYQDMOY-UHFFFAOYSA-N 0 0 380.532 4.274 40 10 GICBRN COc1ccc(C[C@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1OC ZINC000008164830 818009919 /nfs/dbraw/zinc/00/99/19/818009919.db2.gz JERNQSRYJIDFIW-QGZVFWFLSA-N 0 0 379.547 4.056 40 10 GICBRN COC(=O)Cc1cc2c(n1-c1ccc(Br)cc1)CC(C)(C)CC2=O ZINC000027986678 820303047 /nfs/dbraw/zinc/30/30/47/820303047.db2.gz SXERQDPBSBRDRD-UHFFFAOYSA-N 0 0 390.277 4.110 40 10 GICBRN COc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccccc2Cl)C1=O ZINC000033643661 821058720 /nfs/dbraw/zinc/05/87/20/821058720.db2.gz LWWPODNHHVQTEK-XNTDXEJSSA-N 0 0 389.885 4.390 40 10 GICBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccccc1 ZINC000106752404 231018453 /nfs/dbraw/zinc/01/84/53/231018453.db2.gz IWMVERNSOMJOFT-WQRHYEAKSA-N 0 0 398.484 4.082 40 10 GICBRN O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830542 231022931 /nfs/dbraw/zinc/02/29/31/231022931.db2.gz CABGNPCAWMGBAI-CXUHLZMHSA-N 0 0 381.438 4.482 40 10 GICBRN O=C1NC(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409232624 231184483 /nfs/dbraw/zinc/18/44/83/231184483.db2.gz AMOYCRJHFANGFG-SFQUDFHCSA-N 0 0 385.826 4.177 40 10 GICBRN Cc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409339605 231192084 /nfs/dbraw/zinc/19/20/84/231192084.db2.gz WXIYLPOYUVYWFE-XNTDXEJSSA-N 0 0 388.901 4.195 40 10 GICBRN CCc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 ZINC000104520330 529579691 /nfs/dbraw/zinc/57/96/91/529579691.db2.gz UDFYAAVQXVKTRJ-HMAPJEAMSA-N 0 0 399.519 4.427 40 10 GICBRN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000016160896 207073163 /nfs/dbraw/zinc/07/31/63/207073163.db2.gz FUHBWPOHMVRQTC-AUWJEWJLSA-N 0 0 391.305 4.125 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000032109296 207392703 /nfs/dbraw/zinc/39/27/03/207392703.db2.gz HBEUDGDGLUHDQA-ATVHPVEESA-N 0 0 383.831 4.226 40 10 GICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C)cc1 ZINC000222737524 208882346 /nfs/dbraw/zinc/88/23/46/208882346.db2.gz FIBUKRWRQGBSAQ-NHCUHLMSSA-N 0 0 376.529 4.400 40 10 GICBRN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCC(C)CC2)cc1 ZINC000225402289 208949797 /nfs/dbraw/zinc/94/97/97/208949797.db2.gz VRUIUWCXAQGYPJ-QGZVFWFLSA-N 0 0 380.488 4.185 40 10 GICBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccco1 ZINC000409018332 533266845 /nfs/dbraw/zinc/26/68/45/533266845.db2.gz LBEPXJHEYWKJLN-DHDCSXOGSA-N 0 0 378.211 4.464 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccccc1Cl ZINC000408982730 533267793 /nfs/dbraw/zinc/26/77/93/533267793.db2.gz FBKRVWYRWGIOTO-BOPFTXTBSA-N 0 0 383.831 4.226 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OC)c1 ZINC000409057145 533268459 /nfs/dbraw/zinc/26/84/59/533268459.db2.gz IWCHZWPUJVKNOE-VBKFSLOCSA-N 0 0 383.831 4.226 40 10 GICBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000409063644 533265839 /nfs/dbraw/zinc/26/58/39/533265839.db2.gz ANGDVXILKKMPOM-HKWRFOASSA-N 0 0 381.472 4.258 40 10 GICBRN COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409130855 533340899 /nfs/dbraw/zinc/34/08/99/533340899.db2.gz WRSMXFWISLMWHZ-BOPFTXTBSA-N 0 0 390.892 4.430 40 10 GICBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1C ZINC000112124555 533320527 /nfs/dbraw/zinc/32/05/27/533320527.db2.gz GPUOQXQMCNZXRY-ZHZULCJRSA-N 0 0 397.862 4.300 40 10 GICBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(C)c(C)c1 ZINC000112123566 533321180 /nfs/dbraw/zinc/32/11/80/533321180.db2.gz DXXWGOWJNCCMJN-QNGOZBTKSA-N 0 0 395.434 4.094 40 10 GICBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1C ZINC000409347766 533473415 /nfs/dbraw/zinc/47/34/15/533473415.db2.gz REBJTZANCKJXPN-CAOOACKPSA-N 0 0 385.466 4.138 40 10 GICBRN COc1ccc(CCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000222978639 136205378 /nfs/dbraw/zinc/20/53/78/136205378.db2.gz REOGKUOWIGFKIY-GOSISDBHSA-N 0 0 380.532 4.489 40 10 GICBRN CC(NCc1cccnc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112122172 527540504 /nfs/dbraw/zinc/54/05/04/527540504.db2.gz ZFZYOBQYWDTGEG-PGMHBOJBSA-N 0 0 386.430 4.035 40 10 GICBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNCCc1ccccc1 ZINC000408531580 528145463 /nfs/dbraw/zinc/14/54/63/528145463.db2.gz KTXVBSLZWICAGV-AQTBWJFISA-N 0 0 398.304 4.196 40 10 GICBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)SC1=S ZINC000409371565 528943628 /nfs/dbraw/zinc/94/36/28/528943628.db2.gz XEPVMBHGOAYUMA-YBEGLDIGSA-N 0 0 387.482 4.263 40 10 GICBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)SC1=S ZINC000033608144 528943670 /nfs/dbraw/zinc/94/36/70/528943670.db2.gz ITYBGXITYUHQTR-DHDCSXOGSA-N 0 0 390.442 4.085 40 10 GICBRN COc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000222793510 537132544 /nfs/dbraw/zinc/13/25/44/537132544.db2.gz RXUBOCRQFCAMKE-MSOLQXFVSA-N 0 0 382.504 4.188 40 10 GICBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(F)c2)S1 ZINC000222593136 570415679 /nfs/dbraw/zinc/41/56/79/570415679.db2.gz UBXFJOUWZFLNCY-UAOJZALGSA-N 0 0 382.508 4.410 40 10 GICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C ZINC000222737161 570422873 /nfs/dbraw/zinc/42/28/73/570422873.db2.gz JCJHHDSWIRAYNZ-SFTDATJTSA-N 0 0 376.529 4.400 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222809374 570427045 /nfs/dbraw/zinc/42/70/45/570427045.db2.gz WASLMISPPKOBFP-RTWAWAEBSA-N 0 0 392.528 4.182 40 10 GICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c1 ZINC000005372304 570435667 /nfs/dbraw/zinc/43/56/67/570435667.db2.gz DCRJQVIQOKAVDA-IUXPMGMMSA-N 0 0 383.450 4.024 40 10 GICBRN O=C1N=C(Nc2ccc(Cl)cc2Cl)SC1=Cc1ccc(O)c(O)c1 ZINC000005756705 570455954 /nfs/dbraw/zinc/45/59/54/570455954.db2.gz XIMDWVKACHMLIE-NSIKDUERSA-N 0 0 381.240 4.487 40 10 GICBRN Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408759201 570462858 /nfs/dbraw/zinc/46/28/58/570462858.db2.gz ZRMRPJUBCGAZQP-KGENOOAVSA-N 0 0 399.406 4.443 40 10 GICBRN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(OC)ccc3OC)S2)cc1 ZINC000035644602 570535950 /nfs/dbraw/zinc/53/59/50/570535950.db2.gz OBOJPQJDOKIMJF-LDADJPATSA-N 0 0 384.457 4.185 40 10 GICBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(F)cc2)N1c1ccccc1 ZINC000408754844 570544892 /nfs/dbraw/zinc/54/48/92/570544892.db2.gz OPDAHKMWTTUDEL-XDHOZWIPSA-N 0 0 386.382 4.389 40 10 GICBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000225690922 570603724 /nfs/dbraw/zinc/60/37/24/570603724.db2.gz SFBBUGDGIVGEDV-INIZCTEOSA-N 0 0 397.544 4.181 40 10 GICBRN COc1ccc(CN(C)c2ccc3c(c2)OCCO3)cc1Cc1c(C)noc1C ZINC000012148163 570617762 /nfs/dbraw/zinc/61/77/62/570617762.db2.gz XTZGCDCIQDLKNC-UHFFFAOYSA-N 0 0 394.471 4.298 40 10 GICBRN CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S ZINC000033924107 570647297 /nfs/dbraw/zinc/64/72/97/570647297.db2.gz JYRISJDZXKSIOQ-SFQUDFHCSA-N 0 0 399.493 4.136 40 10 GICBRN Cc1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)c([N+](=O)[O-])c1 ZINC000058856225 570648309 /nfs/dbraw/zinc/64/83/09/570648309.db2.gz XJOLASSSKNYXOS-UHFFFAOYSA-N 0 0 397.383 4.307 40 10 GICBRN Cc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)o1 ZINC000059139057 570650625 /nfs/dbraw/zinc/65/06/25/570650625.db2.gz GVCKXBDBFUSMRJ-XSFVSMFZSA-N 0 0 386.407 4.480 40 10 GICBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@H]21 ZINC000004959483 570653414 /nfs/dbraw/zinc/65/34/14/570653414.db2.gz PHGUIQBXOQJKPJ-QKLQHJQFSA-N 0 0 377.440 4.476 40 10 GICBRN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000059417977 570656385 /nfs/dbraw/zinc/65/63/85/570656385.db2.gz PEIFKYUXWDRSNU-PXNMLYILSA-N 0 0 381.438 4.482 40 10 GICBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000059513168 570660082 /nfs/dbraw/zinc/66/00/82/570660082.db2.gz XQTQWUPHHFQJAU-UHFFFAOYSA-N 0 0 396.424 4.061 40 10 GICBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cn1 ZINC000260742320 570702597 /nfs/dbraw/zinc/70/25/97/570702597.db2.gz VAKOSJLHQHKSLV-JKSUJKDBSA-N 0 0 384.549 4.374 40 10 GICBRN COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(O)cc2)cc1 ZINC000001092287 570714637 /nfs/dbraw/zinc/71/46/37/570714637.db2.gz XPXITSUZNGBBBW-KGENOOAVSA-N 0 0 388.398 4.374 40 10 GICBRN C[C@H]1[C@@H](/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C ZINC000005336317 570732337 /nfs/dbraw/zinc/73/23/37/570732337.db2.gz GJEDYODRNPXMLU-ADOQTBBPSA-N 0 0 387.527 4.179 40 10 GICBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000013671297 570770854 /nfs/dbraw/zinc/77/08/54/570770854.db2.gz KMAHWLORBAVSMV-UHFFFAOYSA-N 0 0 386.451 4.353 40 10 GICBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)c1 ZINC000207350770 570799626 /nfs/dbraw/zinc/79/96/26/570799626.db2.gz KPUZPGYNXHZXDU-WOJGMQOQSA-N 0 0 398.484 4.325 40 10 GICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1OC ZINC000014414990 570891914 /nfs/dbraw/zinc/89/19/14/570891914.db2.gz XLEXSENEKBUIAQ-SILNSSARSA-N 0 0 391.467 4.001 40 10 GICBRN O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1ccccc1F ZINC000001105591 817374310 /nfs/dbraw/zinc/37/43/10/817374310.db2.gz FUOASJJQZMPCGM-YBEGLDIGSA-N 0 0 383.425 4.338 40 10 GICBRN CCOc1ccccc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000004541596 817531071 /nfs/dbraw/zinc/53/10/71/817531071.db2.gz UYLAVOQQIKQLEU-UHFFFAOYSA-N 0 0 392.455 4.288 40 10 GICBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1Br ZINC000033735313 821059580 /nfs/dbraw/zinc/05/95/80/821059580.db2.gz GULPBBLTDOUWGK-PTNGSMBKSA-N 0 0 390.277 4.064 40 10 GICBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(C)ccc1C ZINC000408903030 231127706 /nfs/dbraw/zinc/12/77/06/231127706.db2.gz OCAHZDMGACCESR-XKZIYDEJSA-N 0 0 399.519 4.481 40 10 GICBRN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccccc1Br ZINC000408998135 231144983 /nfs/dbraw/zinc/14/49/83/231144983.db2.gz SZSRGMXQBYLGBA-ZSOIEALJSA-N 0 0 393.331 4.345 40 10 GICBRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccc2)n1 ZINC000329006352 206241779 /nfs/dbraw/zinc/24/17/79/206241779.db2.gz LDMVOEWKTGPDJB-GOSISDBHSA-N 0 0 398.894 4.097 40 10 GICBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000026680979 206253891 /nfs/dbraw/zinc/25/38/91/206253891.db2.gz QCKQQHYYEBAKRL-WQRHYEAKSA-N 0 0 385.510 4.414 40 10 GICBRN COc1cccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c1OC ZINC000001300638 206372086 /nfs/dbraw/zinc/37/20/86/206372086.db2.gz XNRYPVXRBVFMSC-OQLLNIDSSA-N 0 0 375.446 4.249 40 10 GICBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000006634336 206659191 /nfs/dbraw/zinc/65/91/91/206659191.db2.gz AEWGPAHIQRKLMT-CPOQMQJTSA-N 0 0 377.440 4.129 40 10 GICBRN CC(NCc1ccccc1Cl)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000100422762 208376919 /nfs/dbraw/zinc/37/69/19/208376919.db2.gz LORFVEALJDWUGT-LDADJPATSA-N 0 0 384.823 4.035 40 10 GICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(F)c1 ZINC000222738940 208882841 /nfs/dbraw/zinc/88/28/41/208882841.db2.gz RUYWECJVFXGJLP-VQTJNVASSA-N 0 0 380.492 4.231 40 10 GICBRN Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225598346 208961299 /nfs/dbraw/zinc/96/12/99/208961299.db2.gz TYIATXWQLJPKLJ-WBVHZDCISA-N 0 0 390.524 4.410 40 10 GICBRN COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)cc1 ZINC000408842558 533430386 /nfs/dbraw/zinc/43/03/86/533430386.db2.gz OPDBFGRSYMGHIM-HMMYKYKNSA-N 0 0 399.406 4.438 40 10 GICBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(C)=O ZINC000409328523 533473402 /nfs/dbraw/zinc/47/34/02/533473402.db2.gz WYLGWOKMCFYGKH-WOJGMQOQSA-N 0 0 399.493 4.335 40 10 GICBRN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218160071 136203667 /nfs/dbraw/zinc/20/36/67/136203667.db2.gz SILOPWUEXIQFDZ-IAGOWNOFSA-N 0 0 381.476 4.251 40 10 GICBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000409207037 533727262 /nfs/dbraw/zinc/72/72/62/533727262.db2.gz ZGPKGGHYGDCLRV-NTEUORMPSA-N 0 0 393.331 4.405 40 10 GICBRN COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1ccc(O)cc1 ZINC000408846820 534005534 /nfs/dbraw/zinc/00/55/34/534005534.db2.gz ZFMBRAVRZDYJFX-XSFVSMFZSA-N 0 0 388.398 4.374 40 10 GICBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCc1ccc(OC)cc1 ZINC000103917923 528066617 /nfs/dbraw/zinc/06/66/17/528066617.db2.gz XXUGSZVNGXPQPP-XLNRJJMWSA-N 0 0 377.488 4.304 40 10 GICBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] ZINC000409037965 528146335 /nfs/dbraw/zinc/14/63/35/528146335.db2.gz OAJJGVVGJKDZGP-RMKNXTFCSA-N 0 0 397.259 4.096 40 10 GICBRN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC ZINC000408969991 528369336 /nfs/dbraw/zinc/36/93/36/528369336.db2.gz YHBAHJQVPKAJKA-PTNGSMBKSA-N 0 0 390.361 4.442 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000100208027 528615915 /nfs/dbraw/zinc/61/59/15/528615915.db2.gz ZXFOEGBUDHWJNY-UYRXBGFRSA-N 0 0 392.411 4.171 40 10 GICBRN CC(=O)c1ccc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)SC2=S)cc1 ZINC000005235963 570432157 /nfs/dbraw/zinc/43/21/57/570432157.db2.gz CQXVVGKEQUPWMP-YBEGLDIGSA-N 0 0 379.466 4.171 40 10 GICBRN COc1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c(OC)c1 ZINC000005371354 570435520 /nfs/dbraw/zinc/43/55/20/570435520.db2.gz TZRAPEBUMLQMFQ-ZDLGFXPLSA-N 0 0 399.493 4.312 40 10 GICBRN CCc1ccc(N2C(=O)/C(=C3\c4ccccc4N(C)C3=O)SC2=S)cc1 ZINC000005552063 570445336 /nfs/dbraw/zinc/44/53/36/570445336.db2.gz DPUUYLUGOBALFW-MSUUIHNZSA-N 0 0 380.494 4.001 40 10 GICBRN COc1cccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)c1 ZINC000006007315 570464109 /nfs/dbraw/zinc/46/41/09/570464109.db2.gz MLCHIKXBTIANEU-MHWRWJLKSA-N 0 0 387.482 4.118 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1 ZINC000006272765 570475230 /nfs/dbraw/zinc/47/52/30/570475230.db2.gz QATAZRZHKVCHRZ-BOPFTXTBSA-N 0 0 398.256 4.326 40 10 GICBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000006634338 570485406 /nfs/dbraw/zinc/48/54/06/570485406.db2.gz AEWGPAHIQRKLMT-KWPCUBQOSA-N 0 0 377.440 4.129 40 10 GICBRN COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466194 570493593 /nfs/dbraw/zinc/49/35/93/570493593.db2.gz HKHSFVLNYLIUKP-ROUUACIJSA-N 0 0 382.504 4.188 40 10 GICBRN COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC ZINC000260466393 570494160 /nfs/dbraw/zinc/49/41/60/570494160.db2.gz SAFIEBZLHUHODZ-DLBZAZTESA-N 0 0 382.504 4.431 40 10 GICBRN CN(CCCNC(=S)Nc1cccc(Br)c1)c1ccccc1 ZINC000008106834 570522471 /nfs/dbraw/zinc/52/24/71/570522471.db2.gz KDUMPRQRVIZQGJ-UHFFFAOYSA-N 0 0 378.339 4.262 40 10 GICBRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000224944232 570539222 /nfs/dbraw/zinc/53/92/22/570539222.db2.gz QPIJLESVZYGQRM-SFHVURJKSA-N 0 0 378.516 4.249 40 10 GICBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@H]21 ZINC000004959481 570652991 /nfs/dbraw/zinc/65/29/91/570652991.db2.gz PHGUIQBXOQJKPJ-ABSDTBQOSA-N 0 0 377.440 4.476 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(F)c1 ZINC000006348293 570741237 /nfs/dbraw/zinc/74/12/37/570741237.db2.gz ALWGWZXDFOCHMZ-DHDCSXOGSA-N 0 0 389.785 4.495 40 10 GICBRN CSc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260572754 570920391 /nfs/dbraw/zinc/92/03/91/570920391.db2.gz TWXUIJGUPRXLOW-INIZCTEOSA-N 0 0 390.574 4.123 40 10 GICBRN CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000004541630 817531191 /nfs/dbraw/zinc/53/11/91/817531191.db2.gz YKQRJLXMMYOMTF-UHFFFAOYSA-N 0 0 390.439 4.092 40 10 GICBRN COc1ccc(C[C@@H]2SC(=S)N(CCC3CCCCC3)C2=O)c(OC)c1 ZINC000008115218 818002745 /nfs/dbraw/zinc/00/27/45/818002745.db2.gz HFIKVYWFHCHIPF-SFHVURJKSA-N 0 0 393.574 4.446 40 10 GICBRN COc1ccccc1N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S ZINC000054361144 209112950 /nfs/dbraw/zinc/11/29/50/209112950.db2.gz DOCGQKVLNHUNNY-BOPFTXTBSA-N 0 0 379.466 4.044 40 10 GICBRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000001346167 206260050 /nfs/dbraw/zinc/26/00/50/206260050.db2.gz UGKWOQOOXLCXIM-ZIAGYGMSSA-N 0 0 398.488 4.273 40 10 GICBRN CC(C)(C)NC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000005669218 206623850 /nfs/dbraw/zinc/62/38/50/206623850.db2.gz KRJYEIQXUHISDQ-SDNWHVSQSA-N 0 0 396.965 4.236 40 10 GICBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000007209121 206705643 /nfs/dbraw/zinc/70/56/43/206705643.db2.gz UBEWLIWBXCRECY-LFIBNONCSA-N 0 0 385.470 4.067 40 10 GICBRN CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004797298 208546099 /nfs/dbraw/zinc/54/60/99/208546099.db2.gz IGNSYZFRHDMYKQ-XEPMYJLFSA-N 0 0 377.488 4.371 40 10 GICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C)c1 ZINC000222737379 208882502 /nfs/dbraw/zinc/88/25/02/208882502.db2.gz HFISNYHWOAROTA-LEWJYISDSA-N 0 0 376.529 4.400 40 10 GICBRN FC(F)(F)c1cccc(NC(=S)NCCCN2CCc3ccccc32)c1 ZINC000225559238 208959438 /nfs/dbraw/zinc/95/94/38/208959438.db2.gz OZMYGUQUJYDNNB-UHFFFAOYSA-N 0 0 379.451 4.445 40 10 GICBRN COc1ccc(N(C)CCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000225797753 208978205 /nfs/dbraw/zinc/97/82/05/208978205.db2.gz NMMZAFAEYXLMFQ-UHFFFAOYSA-N 0 0 383.439 4.137 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1OC ZINC000058883916 533267847 /nfs/dbraw/zinc/26/78/47/533267847.db2.gz UEYBFYMYKAGYTM-BOPFTXTBSA-N 0 0 383.831 4.226 40 10 GICBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000409063711 533265734 /nfs/dbraw/zinc/26/57/34/533265734.db2.gz BIOAGXARCMTJMQ-BKUYFWCQSA-N 0 0 392.499 4.484 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000408893848 533266470 /nfs/dbraw/zinc/26/64/70/533266470.db2.gz NRZUASRVOAQPJF-MOSHPQCFSA-N 0 0 377.440 4.393 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000408893973 533266489 /nfs/dbraw/zinc/26/64/89/533266489.db2.gz PGESEFOQSMMFKP-PDGQHHTCSA-N 0 0 392.411 4.089 40 10 GICBRN Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000223695898 136205977 /nfs/dbraw/zinc/20/59/77/136205977.db2.gz QBMJTIIVBRKWFI-MRXNPFEDSA-N 0 0 386.561 4.327 40 10 GICBRN COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cn1 ZINC000408738213 533995266 /nfs/dbraw/zinc/99/52/66/533995266.db2.gz JFZOZEPKZQDBNO-QGOAFFKASA-N 0 0 399.406 4.470 40 10 GICBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCc1ccccc1OC ZINC000103917563 528065340 /nfs/dbraw/zinc/06/53/40/528065340.db2.gz KNWOIWZZGKFSPB-QNGOZBTKSA-N 0 0 381.451 4.401 40 10 GICBRN CCCN1C(=O)/C(=C\c2ccc(Cl)s2)C(=O)N(c2ccccc2)C1=S ZINC000409023177 528163840 /nfs/dbraw/zinc/16/38/40/528163840.db2.gz XIAFAVGYMBLDCZ-SDNWHVSQSA-N 0 0 390.917 4.355 40 10 GICBRN CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000409001728 528313716 /nfs/dbraw/zinc/31/37/16/528313716.db2.gz QZDQTNGREPRPCG-RGEXLXHISA-N 0 0 378.432 4.247 40 10 GICBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 ZINC000408891873 528369071 /nfs/dbraw/zinc/36/90/71/528369071.db2.gz DMAKQABEHXJGFK-ZHZULCJRSA-N 0 0 377.440 4.271 40 10 GICBRN CCOc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC ZINC000409195144 528369492 /nfs/dbraw/zinc/36/94/92/528369492.db2.gz PPPDHALDJVRKNL-GZTJUZNOSA-N 0 0 388.514 4.050 40 10 GICBRN CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000409234841 528954108 /nfs/dbraw/zinc/95/41/08/528954108.db2.gz NDVAMDBUNCSMIR-PXNMLYILSA-N 0 0 378.259 4.314 40 10 GICBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)N=C2c2ccccc2)cc1 ZINC000005639333 570271917 /nfs/dbraw/zinc/27/19/17/570271917.db2.gz NGGBKRAZGNEHIF-JCMHNJIXSA-N 0 0 397.434 4.185 40 10 GICBRN COc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222593829 570416092 /nfs/dbraw/zinc/41/60/92/570416092.db2.gz JASAKRMAVDZIMO-ONGXBYRLSA-N 0 0 394.544 4.280 40 10 GICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(F)c1 ZINC000222739006 570423222 /nfs/dbraw/zinc/42/32/22/570423222.db2.gz RUYWECJVFXGJLP-PMACEKPBSA-N 0 0 380.492 4.231 40 10 GICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)SC2=S)c1 ZINC000005235964 570432063 /nfs/dbraw/zinc/43/20/63/570432063.db2.gz PFEUYUPKBRNQBF-YBEGLDIGSA-N 0 0 379.466 4.171 40 10 GICBRN CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O ZINC000005372072 570435710 /nfs/dbraw/zinc/43/57/10/570435710.db2.gz SRHIXJHNHXVCBI-WQRHYEAKSA-N 0 0 399.493 4.399 40 10 GICBRN Cc1ccc(C)c(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)c1 ZINC000005552110 570445360 /nfs/dbraw/zinc/44/53/60/570445360.db2.gz CLDKXOHTEAFISB-NXVVXOECSA-N 0 0 384.457 4.171 40 10 GICBRN COc1ccc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Cl ZINC000008161542 570466853 /nfs/dbraw/zinc/46/68/53/570466853.db2.gz WKXAYZLMHRQYAS-QGZVFWFLSA-N 0 0 391.945 4.363 40 10 GICBRN CN(C)[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000035316634 570470422 /nfs/dbraw/zinc/47/04/22/570470422.db2.gz QJAFHPOCFDXTJT-OAQYLSRUSA-N 0 0 385.939 4.249 40 10 GICBRN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000223637985 570475972 /nfs/dbraw/zinc/47/59/72/570475972.db2.gz BWBZTCLFBUNZPJ-UHFFFAOYSA-N 0 0 381.453 4.117 40 10 GICBRN COC(=O)c1cc(C)n(-c2cc(Br)ccc2Br)c1C ZINC000223718774 570480966 /nfs/dbraw/zinc/48/09/66/570480966.db2.gz ADHWBCDIXONHLE-UHFFFAOYSA-N 0 0 387.071 4.406 40 10 GICBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000224366104 570510771 /nfs/dbraw/zinc/51/07/71/570510771.db2.gz JTDILSFMFAZWEA-GOSISDBHSA-N 0 0 380.532 4.495 40 10 GICBRN COc1ccc(N2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000224971100 570540518 /nfs/dbraw/zinc/54/05/18/570540518.db2.gz DCRNOINUZNCWSK-UHFFFAOYSA-N 0 0 386.495 4.254 40 10 GICBRN CCN(CC)c1ccc(CNC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 ZINC000225301449 570562768 /nfs/dbraw/zinc/56/27/68/570562768.db2.gz UXYDVAATLUBZRI-UHFFFAOYSA-N 0 0 376.504 4.016 40 10 GICBRN Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000225598271 570592359 /nfs/dbraw/zinc/59/23/59/570592359.db2.gz HRJGUTYATPZAFK-INIZCTEOSA-N 0 0 376.497 4.164 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000059435717 570653909 /nfs/dbraw/zinc/65/39/09/570653909.db2.gz HXLMIIZGIVFYTJ-BOPFTXTBSA-N 0 0 398.802 4.125 40 10 GICBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)cc21 ZINC000260755800 570702972 /nfs/dbraw/zinc/70/29/72/570702972.db2.gz BUGVBFJXGQUCNI-PMACEKPBSA-N 0 0 378.545 4.316 40 10 GICBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)cc2F)S1 ZINC000260775051 570705227 /nfs/dbraw/zinc/70/52/27/570705227.db2.gz OZHHLQRZIWMION-JSNMRZPZSA-N 0 0 382.508 4.410 40 10 GICBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000004959453 570730424 /nfs/dbraw/zinc/73/04/24/570730424.db2.gz MBTPSYGHODMTSU-OPYAIIAOSA-N 0 0 377.440 4.476 40 10 GICBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000006348270 570741220 /nfs/dbraw/zinc/74/12/20/570741220.db2.gz FCJHCXWJUZLVQH-WJDWOHSUSA-N 0 0 390.277 4.064 40 10 GICBRN CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 ZINC000007378414 570758111 /nfs/dbraw/zinc/75/81/11/570758111.db2.gz AIBUAGJYWRTTFA-UHFFFAOYSA-N 0 0 390.439 4.092 40 10 GICBRN COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000003044101 817414132 /nfs/dbraw/zinc/41/41/32/817414132.db2.gz QDGKBZZBDCSTND-LICLKQGHSA-N 0 0 387.482 4.118 40 10 GICBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl ZINC000033660103 821058820 /nfs/dbraw/zinc/05/88/20/821058820.db2.gz OKXRQSIYDYOFPS-AQTBWJFISA-N 0 0 391.858 4.209 40 10 GICBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000106708867 231018699 /nfs/dbraw/zinc/01/86/99/231018699.db2.gz QYWUNDKOTAGUJS-ZHZULCJRSA-N 0 0 394.496 4.068 40 10 GICBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O ZINC000409123212 231167167 /nfs/dbraw/zinc/16/71/67/231167167.db2.gz ALKVQJUDTVTJOF-XDHOZWIPSA-N 0 0 384.501 4.394 40 10 GICBRN O=C(NC1=NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1)c1ccccc1 ZINC000409145571 231170726 /nfs/dbraw/zinc/17/07/26/231170726.db2.gz QIGWUFREZWPYBY-ZSOIEALJSA-N 0 0 377.252 4.394 40 10 GICBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409230952 231184285 /nfs/dbraw/zinc/18/42/85/231184285.db2.gz AGAPQOKNBNEJMR-FYJGNVAPSA-N 0 0 389.430 4.326 40 10 GICBRN CCOc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409338778 231191641 /nfs/dbraw/zinc/19/16/41/231191641.db2.gz AVBVYYREZVBHQV-RQZCQDPDSA-N 0 0 385.466 4.220 40 10 GICBRN CCCC(=O)c1cc(O)c([O-])c(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)c1O ZINC000001569520 206386246 /nfs/dbraw/zinc/38/62/46/206386246.db2.gz XOFIUZJSOAYWSF-UHFFFAOYSA-N 0 0 393.867 4.086 40 10 GICBRN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\C=C\c1ccccc1 ZINC000005373143 206609298 /nfs/dbraw/zinc/60/92/98/206609298.db2.gz LKONFMFMFZYCLB-WAYKPHQQSA-N 0 0 375.497 4.035 40 10 GICBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000007209122 206705797 /nfs/dbraw/zinc/70/57/97/206705797.db2.gz MKQMCTNHMBXRIU-LFIBNONCSA-N 0 0 385.470 4.067 40 10 GICBRN CN(O)/N=N/c1c(Br)cc(Br)cc1Br ZINC000017060502 207082536 /nfs/dbraw/zinc/08/25/36/207082536.db2.gz LPOMRLFCWIGQTP-VAWYXSNFSA-N 0 0 387.857 4.294 40 10 GICBRN CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000004797296 208545986 /nfs/dbraw/zinc/54/59/86/208545986.db2.gz IGNSYZFRHDMYKQ-DKXPKDADSA-N 0 0 377.488 4.371 40 10 GICBRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(F)c2)S1 ZINC000222593334 208878548 /nfs/dbraw/zinc/87/85/48/208878548.db2.gz UBXFJOUWZFLNCY-KPOBHBOGSA-N 0 0 382.508 4.410 40 10 GICBRN CCN(CC)c1ccc(CNC(=O)Cc2cccc(Br)c2)cc1 ZINC000225624832 208963392 /nfs/dbraw/zinc/96/33/92/208963392.db2.gz XXYVVZBPDAQBJI-UHFFFAOYSA-N 0 0 375.310 4.154 40 10 GICBRN Cc1nc(C)c(CCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(=O)[nH]1 ZINC000016469286 221363815 /nfs/dbraw/zinc/36/38/15/221363815.db2.gz VCMISJIEGZPUDT-OCEACIFDSA-N 0 0 375.432 4.373 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000408584104 533267540 /nfs/dbraw/zinc/26/75/40/533267540.db2.gz LPULZAINKXLQCH-BOPFTXTBSA-N 0 0 398.802 4.125 40 10 GICBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(Cl)c1O ZINC000409205502 533474938 /nfs/dbraw/zinc/47/49/38/533474938.db2.gz OCCYTPKLVUJFDI-ZSOIEALJSA-N 0 0 394.905 4.010 40 10 GICBRN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000218175292 136203691 /nfs/dbraw/zinc/20/36/91/136203691.db2.gz TZOFTBAJPOCNAW-SJORKVTESA-N 0 0 382.504 4.431 40 10 GICBRN CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000219559805 136204239 /nfs/dbraw/zinc/20/42/39/136204239.db2.gz RAXWMXHNKNTFDV-FQEVSTJZSA-N 0 0 382.504 4.159 40 10 GICBRN CSc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000223699887 136205939 /nfs/dbraw/zinc/20/59/39/136205939.db2.gz TWXUIJGUPRXLOW-MRXNPFEDSA-N 0 0 390.574 4.123 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000408708092 533720630 /nfs/dbraw/zinc/72/06/30/533720630.db2.gz OBVFAWDMACVGSU-IBGZPJMESA-N 0 0 387.483 4.394 40 10 GICBRN Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c1 ZINC000408822733 534586795 /nfs/dbraw/zinc/58/67/95/534586795.db2.gz UVBMCJFTWUCBLT-SFQUDFHCSA-N 0 0 382.510 4.103 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 ZINC000408976805 526697059 /nfs/dbraw/zinc/69/70/59/526697059.db2.gz UADQKWYRRWNNKF-VGOFMYFVSA-N 0 0 381.240 4.360 40 10 GICBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCc1ccc(OC)cc1 ZINC000103917828 528065049 /nfs/dbraw/zinc/06/50/49/528065049.db2.gz SMZUDIWZOKBHLH-QNGOZBTKSA-N 0 0 381.451 4.401 40 10 GICBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cccc(C)n1 ZINC000103917471 528065179 /nfs/dbraw/zinc/06/51/79/528065179.db2.gz FLDQAFKRBZOUNJ-RGEXLXHISA-N 0 0 379.420 4.187 40 10 GICBRN CCN1C(=O)/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S ZINC000409346955 528943185 /nfs/dbraw/zinc/94/31/85/528943185.db2.gz LVAGYFLYBVQMHG-GHXNOFRVSA-N 0 0 395.868 4.283 40 10 GICBRN Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072216831 570317862 /nfs/dbraw/zinc/31/78/62/570317862.db2.gz OWGIWSMPYKPLCP-OAQYLSRUSA-N 0 0 395.528 4.323 40 10 GICBRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 ZINC000222595915 570416161 /nfs/dbraw/zinc/41/61/61/570416161.db2.gz OQRHWIDRFFMJAW-IWMITWMQSA-N 0 0 394.544 4.280 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000222786316 570425905 /nfs/dbraw/zinc/42/59/05/570425905.db2.gz QCGNBJODABRYJH-SFTDATJTSA-N 0 0 392.528 4.187 40 10 GICBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 ZINC000223563628 570471576 /nfs/dbraw/zinc/47/15/76/570471576.db2.gz SOICKRQXORIVBX-GOSISDBHSA-N 0 0 380.532 4.495 40 10 GICBRN Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000001217423 570563877 /nfs/dbraw/zinc/56/38/77/570563877.db2.gz ZMHDVSQEUQJBSL-PTNGSMBKSA-N 0 0 388.539 4.287 40 10 GICBRN Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000225598131 570592367 /nfs/dbraw/zinc/59/23/67/570592367.db2.gz LATXIQIGOZGSGY-QGZVFWFLSA-N 0 0 390.524 4.410 40 10 GICBRN C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000225663887 570599686 /nfs/dbraw/zinc/59/96/86/570599686.db2.gz APCIWBIWRSHQRE-HNNXBMFYSA-N 0 0 383.517 4.453 40 10 GICBRN COc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC ZINC000225690090 570603603 /nfs/dbraw/zinc/60/36/03/570603603.db2.gz KXACXDRXOFZTSO-MRXNPFEDSA-N 0 0 399.560 4.427 40 10 GICBRN CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000225839313 570624254 /nfs/dbraw/zinc/62/42/54/570624254.db2.gz OBFZIGNAXGLRQX-QGZVFWFLSA-N 0 0 399.560 4.358 40 10 GICBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000004959537 570653466 /nfs/dbraw/zinc/65/34/66/570653466.db2.gz HLPFWSVVQWOJLB-BXTJHSDWSA-N 0 0 382.416 4.447 40 10 GICBRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1 ZINC000260775001 570704878 /nfs/dbraw/zinc/70/48/78/570704878.db2.gz OQRHWIDRFFMJAW-GQWLDOHISA-N 0 0 394.544 4.280 40 10 GICBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 ZINC000001461854 570715380 /nfs/dbraw/zinc/71/53/80/570715380.db2.gz MBTPSYGHODMTSU-DBXWQHBBSA-N 0 0 377.440 4.476 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Br ZINC000006348345 570741156 /nfs/dbraw/zinc/74/11/56/570741156.db2.gz BEACUJKPLZCMRA-VBKFSLOCSA-N 0 0 398.256 4.326 40 10 GICBRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 ZINC000007496837 570759445 /nfs/dbraw/zinc/75/94/45/570759445.db2.gz HZDIFSYQDQLKTO-QGZVFWFLSA-N 0 0 398.503 4.063 40 10 GICBRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 ZINC000007496841 570759690 /nfs/dbraw/zinc/75/96/90/570759690.db2.gz HZDIFSYQDQLKTO-KRWDZBQOSA-N 0 0 398.503 4.063 40 10 GICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000014414943 570891501 /nfs/dbraw/zinc/89/15/01/570891501.db2.gz HFZLXTFWOCGYDN-PGMHBOJBSA-N 0 0 375.468 4.300 40 10 GICBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000222370064 570950270 /nfs/dbraw/zinc/95/02/70/570950270.db2.gz TUVWSTBUSUXFDH-TYILLQQXSA-N 0 0 380.400 4.217 40 10 GICBRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000212056084 570997953 /nfs/dbraw/zinc/99/79/53/570997953.db2.gz WXNQBTCMKPRXIY-PDGQHHTCSA-N 0 0 397.525 4.117 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(N(C)C)cc1 ZINC000006205962 817667614 /nfs/dbraw/zinc/66/76/14/817667614.db2.gz VMWHYTZPZBIWAX-FQEVSTJZSA-N 0 0 395.528 4.026 40 10 GICBRN COc1cc(OC)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OC)c1 ZINC000408902757 231127597 /nfs/dbraw/zinc/12/75/97/231127597.db2.gz RBHDGPCUMRJHID-GZTJUZNOSA-N 0 0 387.482 4.118 40 10 GICBRN COc1cccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1 ZINC000409035744 231149643 /nfs/dbraw/zinc/14/96/43/231149643.db2.gz QEFOFMJMNZQUHQ-YRNVUSSQSA-N 0 0 382.288 4.197 40 10 GICBRN Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O ZINC000409252322 231187465 /nfs/dbraw/zinc/18/74/65/231187465.db2.gz XGRVWJPHBRESGQ-RCCKNPSSSA-N 0 0 375.472 4.078 40 10 GICBRN O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409337632 231192127 /nfs/dbraw/zinc/19/21/27/231192127.db2.gz WKMCYLLKJPYNIO-AUWJEWJLSA-N 0 0 392.845 4.360 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000409343912 231192614 /nfs/dbraw/zinc/19/26/14/231192614.db2.gz DTJDBWQQPXRYQW-DHDCSXOGSA-N 0 0 390.417 4.148 40 10 GICBRN CCc1ccc(C=C2C(=O)N(c3cccc(C(C)=O)c3)C(C)=C2C(=O)OC)cc1 ZINC000409381251 529584878 /nfs/dbraw/zinc/58/48/78/529584878.db2.gz SMYWMYSUZYWRMA-BKUYFWCQSA-N 0 0 389.451 4.329 40 10 GICBRN CN(C)c1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 ZINC000409051067 529775145 /nfs/dbraw/zinc/77/51/45/529775145.db2.gz HZSQPFIKGVWLQQ-AQTBWJFISA-N 0 0 386.448 4.007 40 10 GICBRN O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1CCc1ccc(O)cc1 ZINC000054360635 209113330 /nfs/dbraw/zinc/11/33/30/209113330.db2.gz IJBQUHZXMILLRJ-UNOMPAQXSA-N 0 0 395.505 4.155 40 10 GICBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1 ZINC000016789978 207078159 /nfs/dbraw/zinc/07/81/59/207078159.db2.gz NMHWYXQIKLHGIM-BOPFTXTBSA-N 0 0 384.482 4.059 40 10 GICBRN C[NH+](C)Cc1c2c(ccc1[O-])occ2C(=O)c1ccc(Br)s1 ZINC000020506770 207199079 /nfs/dbraw/zinc/19/90/79/207199079.db2.gz RSPRTCUDVKIVAM-UHFFFAOYSA-N 0 0 380.263 4.255 40 10 GICBRN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000000871770 208706710 /nfs/dbraw/zinc/70/67/10/208706710.db2.gz MBTPSYGHODMTSU-UEXGIBASSA-N 0 0 377.440 4.476 40 10 GICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1F ZINC000222738697 208881987 /nfs/dbraw/zinc/88/19/87/208881987.db2.gz VCARDRRBUMKDHQ-VQTJNVASSA-N 0 0 380.492 4.231 40 10 GICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1F ZINC000222738756 208883045 /nfs/dbraw/zinc/88/30/45/208883045.db2.gz VCARDRRBUMKDHQ-PMACEKPBSA-N 0 0 380.492 4.231 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000222793705 208884188 /nfs/dbraw/zinc/88/41/88/208884188.db2.gz WWFOSLCJMTXXTL-LEWJYISDSA-N 0 0 391.544 4.185 40 10 GICBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000224366158 208925263 /nfs/dbraw/zinc/92/52/63/208925263.db2.gz JTDILSFMFAZWEA-SFHVURJKSA-N 0 0 380.532 4.495 40 10 GICBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c(OC)c1 ZINC000225694314 208969554 /nfs/dbraw/zinc/96/95/54/208969554.db2.gz VTGBQTCVEMXICF-OAHLLOKOSA-N 0 0 385.533 4.352 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000409058278 533268716 /nfs/dbraw/zinc/26/87/16/533268716.db2.gz NLIYJZUHFFHYHL-VBKFSLOCSA-N 0 0 383.831 4.226 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408765980 533269098 /nfs/dbraw/zinc/26/90/98/533269098.db2.gz CGZHDSMONJDXGV-JLHYYAGUSA-N 0 0 389.785 4.495 40 10 GICBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(C)=O ZINC000409340513 533474882 /nfs/dbraw/zinc/47/48/82/533474882.db2.gz YIHSJNMNOQNZJC-WQRHYEAKSA-N 0 0 399.493 4.335 40 10 GICBRN C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222653335 136204945 /nfs/dbraw/zinc/20/49/45/136204945.db2.gz CDMRMQPAXXTGJQ-QZTJIDSGSA-N 0 0 394.515 4.462 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000408706914 533720868 /nfs/dbraw/zinc/72/08/68/533720868.db2.gz FCDLGIBSQJSUBX-KRWDZBQOSA-N 0 0 391.446 4.225 40 10 GICBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000409205815 533727473 /nfs/dbraw/zinc/72/74/73/533727473.db2.gz UHCXGJOIOZVMMR-ZSOIEALJSA-N 0 0 393.877 4.204 40 10 GICBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)cc1 ZINC000409225290 533911628 /nfs/dbraw/zinc/91/16/28/533911628.db2.gz KHXPIPUQLKBPEL-PXLXIMEGSA-N 0 0 389.499 4.387 40 10 GICBRN COc1cc(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1O ZINC000408903210 533945396 /nfs/dbraw/zinc/94/53/96/533945396.db2.gz VRJLCAPKQVIHLR-RIYZIHGNSA-N 0 0 377.874 4.460 40 10 GICBRN COc1ccc(N2N=C(C)C(=C(C)NCCSc3ccc(C)cc3)C2=O)cc1 ZINC000017080904 534020336 /nfs/dbraw/zinc/02/03/36/534020336.db2.gz BTCRLZFIFKZZHP-PGMHBOJBSA-N 0 0 395.528 4.382 40 10 GICBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCc1cccc(OC)c1 ZINC000103917541 528065576 /nfs/dbraw/zinc/06/55/76/528065576.db2.gz XNFQTZBRMKHIQN-QNGOZBTKSA-N 0 0 381.451 4.401 40 10 GICBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1I ZINC000408550791 528150825 /nfs/dbraw/zinc/15/08/25/528150825.db2.gz JYVZDBPLJCFXAI-RVDMUPIBSA-N 0 0 388.208 4.097 40 10 GICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(F)c1 ZINC000014415137 528615933 /nfs/dbraw/zinc/61/59/33/528615933.db2.gz NDCNHANXCCUKME-HKWRFOASSA-N 0 0 379.431 4.131 40 10 GICBRN CCOc1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409345269 528627442 /nfs/dbraw/zinc/62/74/42/528627442.db2.gz KPMHMHOSDOUHOD-LFIBNONCSA-N 0 0 386.454 4.399 40 10 GICBRN CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000040939905 570270558 /nfs/dbraw/zinc/27/05/58/570270558.db2.gz HIUSQICFMFRYSO-GHRIWEEISA-N 0 0 398.509 4.022 40 10 GICBRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)cc2F)S1 ZINC000222593607 570415819 /nfs/dbraw/zinc/41/58/19/570415819.db2.gz OZHHLQRZIWMION-KPOBHBOGSA-N 0 0 382.508 4.410 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000222793072 570426162 /nfs/dbraw/zinc/42/61/62/570426162.db2.gz OJCIRLSYHPQXBF-RTWAWAEBSA-N 0 0 391.544 4.185 40 10 GICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccn1 ZINC000222818938 570427661 /nfs/dbraw/zinc/42/76/61/570427661.db2.gz QAYQIEQAZBAKGW-RTWAWAEBSA-N 0 0 391.544 4.265 40 10 GICBRN Cc1cccc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1C ZINC000005374765 570436385 /nfs/dbraw/zinc/43/63/85/570436385.db2.gz PUHGYAULWSAVPE-GZTJUZNOSA-N 0 0 382.510 4.387 40 10 GICBRN CCOC(=O)/C(=C/c1ccc(N(CC)CC)cc1)NC(=O)c1ccc(C)cc1 ZINC000005585339 570447705 /nfs/dbraw/zinc/44/77/05/570447705.db2.gz BKEGJVPHIWFJJU-PGMHBOJBSA-N 0 0 380.488 4.175 40 10 GICBRN COc1cc(C=C2SC(Nc3cccc(Cl)c3)=NC2=O)ccc1OCC#N ZINC000035331006 570470761 /nfs/dbraw/zinc/47/07/61/570470761.db2.gz ZBDVCVKAWYQLMO-YVLHZVERSA-N 0 0 399.859 4.333 40 10 GICBRN Ic1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000006547935 570483181 /nfs/dbraw/zinc/48/31/81/570483181.db2.gz ZMAYSCPWRLHCTG-GBOPCIDUSA-N 0 0 375.253 4.444 40 10 GICBRN Cc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)o1 ZINC000009189255 570551713 /nfs/dbraw/zinc/55/17/13/570551713.db2.gz BUDFYRBKXIUZPU-ATVHPVEESA-N 0 0 387.892 4.034 40 10 GICBRN C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCC2)cc1 ZINC000225695185 570604429 /nfs/dbraw/zinc/60/44/29/570604429.db2.gz NSKBBJNHDIEJNO-HNNXBMFYSA-N 0 0 383.517 4.106 40 10 GICBRN COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)CC2)cc1 ZINC000042124302 570618231 /nfs/dbraw/zinc/61/82/31/570618231.db2.gz PVTCVXDCCCRYOL-IBGZPJMESA-N 0 0 396.531 4.243 40 10 GICBRN CC(C)Oc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225839351 570624392 /nfs/dbraw/zinc/62/43/92/570624392.db2.gz FKKIDZZEFMMNNN-QGZVFWFLSA-N 0 0 399.560 4.358 40 10 GICBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@H]21 ZINC000004959482 570653478 /nfs/dbraw/zinc/65/34/78/570653478.db2.gz PHGUIQBXOQJKPJ-ZWOKBUDYSA-N 0 0 377.440 4.476 40 10 GICBRN CCN1C(=O)C(=Cc2cc(C)n(-c3cccc4ccccc43)c2C)NC1=S ZINC000409007794 570692702 /nfs/dbraw/zinc/69/27/02/570692702.db2.gz RPSIMZBUFFFVHW-UYRXBGFRSA-N 0 0 375.497 4.325 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000409052855 570695759 /nfs/dbraw/zinc/69/57/59/570695759.db2.gz ITMNVGRNOVQGAV-KAMYIIQDSA-N 0 0 398.802 4.125 40 10 GICBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@H]21 ZINC000006954782 817729051 /nfs/dbraw/zinc/72/90/51/817729051.db2.gz WNDDRILSVNSXPO-JMERFSKESA-N 0 0 382.416 4.447 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000006965753 817730267 /nfs/dbraw/zinc/73/02/67/817730267.db2.gz HRAHXOUTRNYOAV-FIKGOQFSSA-N 0 0 377.440 4.395 40 10 GICBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O ZINC000409134983 231168910 /nfs/dbraw/zinc/16/89/10/231168910.db2.gz PBMUMUUEEMIZNA-XDHOZWIPSA-N 0 0 384.501 4.394 40 10 GICBRN CCn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 ZINC000409139783 231169904 /nfs/dbraw/zinc/16/99/04/231169904.db2.gz BZJQFBJULCTIQM-ZDLGFXPLSA-N 0 0 379.510 4.458 40 10 GICBRN O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1Cc1ccccc1 ZINC000409340203 231192948 /nfs/dbraw/zinc/19/29/48/231192948.db2.gz SDWUYAUQGRPMKA-BOPFTXTBSA-N 0 0 379.462 4.194 40 10 GICBRN COc1ccccc1N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S ZINC000054361186 209114445 /nfs/dbraw/zinc/11/44/45/209114445.db2.gz MYUMOXWFMBEJPM-YVLHZVERSA-N 0 0 379.466 4.044 40 10 GICBRN O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1CCc1ccccc1 ZINC000054361149 209112018 /nfs/dbraw/zinc/11/20/18/209112018.db2.gz OUHPCRKDHHLZGG-AQTBWJFISA-N 0 0 377.494 4.074 40 10 GICBRN O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1cccc(Cl)c1 ZINC000001246781 206370392 /nfs/dbraw/zinc/37/03/92/206370392.db2.gz FFEQVNTXCGSYAI-RIYZIHGNSA-N 0 0 392.864 4.025 40 10 GICBRN CCn1cnc2cc(NCc3ccc(OC)c(OC[C@H]4CCCO4)c3)ccc21 ZINC000019578313 207137999 /nfs/dbraw/zinc/13/79/99/207137999.db2.gz ZGPIYZONSRKZJD-GOSISDBHSA-N 0 0 381.476 4.235 40 10 GICBRN Cc1[nH]c2ccccc2c1Cc1cc(=O)n2ncc(C(=O)Nc3ccccc3)c2[nH]1 ZINC000019581674 207139021 /nfs/dbraw/zinc/13/90/21/207139021.db2.gz LUBGGHUEITZZJG-UHFFFAOYSA-N 0 0 397.438 4.068 40 10 GICBRN C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1ccc(N2CCCCC2)cc1 ZINC000019719179 207154903 /nfs/dbraw/zinc/15/49/03/207154903.db2.gz GJBPXUDILQYULY-LJQANCHMSA-N 0 0 388.515 4.413 40 10 GICBRN COC(=O)c1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000013389236 208783745 /nfs/dbraw/zinc/78/37/45/208783745.db2.gz TUVWSTBUSUXFDH-PJIJBLCYSA-N 0 0 380.400 4.217 40 10 GICBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222863941 208885896 /nfs/dbraw/zinc/88/58/96/208885896.db2.gz POVMMFLIVMYNAZ-LEWJYISDSA-N 0 0 391.544 4.267 40 10 GICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(F)cc1 ZINC000222739142 208882966 /nfs/dbraw/zinc/88/29/66/208882966.db2.gz XPEBNOMWYCKQBR-UXHICEINSA-N 0 0 380.492 4.231 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000222786687 208883514 /nfs/dbraw/zinc/88/35/14/208883514.db2.gz LDSYIASZJMLMMN-LEWJYISDSA-N 0 0 392.528 4.187 40 10 GICBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC)C3=O)c2C)c1 ZINC000004107020 220682957 /nfs/dbraw/zinc/68/29/57/220682957.db2.gz ZPNXGOHIOSMEPM-PDGQHHTCSA-N 0 0 398.484 4.327 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000059566376 533267518 /nfs/dbraw/zinc/26/75/18/533267518.db2.gz BJQLBROJQHJETO-WQRHYEAKSA-N 0 0 383.831 4.226 40 10 GICBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408995874 533266677 /nfs/dbraw/zinc/26/66/77/533266677.db2.gz BTBURUAZXDQZTD-KWPCUBQOSA-N 0 0 377.440 4.129 40 10 GICBRN CC1=CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 ZINC000208444084 136202800 /nfs/dbraw/zinc/20/28/00/136202800.db2.gz QWYJQXPWPSMNIL-MOSHPQCFSA-N 0 0 387.483 4.411 40 10 GICBRN C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(N2CCC(C)CC2)cc1 ZINC000222653183 136204972 /nfs/dbraw/zinc/20/49/72/136204972.db2.gz HUAPCHRVPWJUFN-GOSISDBHSA-N 0 0 394.515 4.462 40 10 GICBRN C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000224578663 136207128 /nfs/dbraw/zinc/20/71/28/136207128.db2.gz VRYVXXFHMWBJLW-GOSISDBHSA-N 0 0 391.515 4.295 40 10 GICBRN O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1CC1CCCCC1 ZINC000409142471 534823840 /nfs/dbraw/zinc/82/38/40/534823840.db2.gz LNSUFUOOLDRDOH-XMHGGMMESA-N 0 0 386.517 4.140 40 10 GICBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1ccc(O)cc1 ZINC000408529011 528146815 /nfs/dbraw/zinc/14/68/15/528146815.db2.gz GTDYQCQMEBMIKA-YBEGLDIGSA-N 0 0 386.249 4.182 40 10 GICBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O ZINC000409243909 528173501 /nfs/dbraw/zinc/17/35/01/528173501.db2.gz YWHCMKQDUMPZHA-RQZCQDPDSA-N 0 0 375.831 4.189 40 10 GICBRN CCCCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 ZINC000112119600 528183759 /nfs/dbraw/zinc/18/37/59/528183759.db2.gz VYJMOBTYRHPXTC-FXBPSFAMSA-N 0 0 377.488 4.500 40 10 GICBRN COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217946712 537090246 /nfs/dbraw/zinc/09/02/46/537090246.db2.gz HKHSFVLNYLIUKP-MSOLQXFVSA-N 0 0 382.504 4.188 40 10 GICBRN CC(=O)N(C)c1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1 ZINC000005457349 570255057 /nfs/dbraw/zinc/25/50/57/570255057.db2.gz CGHHLJHYAQPQSA-RCCKNPSSSA-N 0 0 385.423 4.097 40 10 GICBRN Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072216772 570317917 /nfs/dbraw/zinc/31/79/17/570317917.db2.gz XNIVFQNBJRYMTJ-NRFANRHFSA-N 0 0 395.528 4.323 40 10 GICBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222741869 570423424 /nfs/dbraw/zinc/42/34/24/570423424.db2.gz UORRXZDPNAUHOR-RTWAWAEBSA-N 0 0 392.528 4.100 40 10 GICBRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1OC ZINC000005371567 570435486 /nfs/dbraw/zinc/43/54/86/570435486.db2.gz GGFWIQCJPUKCFO-GZTJUZNOSA-N 0 0 389.498 4.049 40 10 GICBRN CCCCOC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S ZINC000001810698 570436208 /nfs/dbraw/zinc/43/62/08/570436208.db2.gz FPWAKIVIRSHAID-WJDWOHSUSA-N 0 0 377.531 4.355 40 10 GICBRN CCCCOC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000005736814 570454093 /nfs/dbraw/zinc/45/40/93/570454093.db2.gz BOSGIOCVBKTVFW-SDNWHVSQSA-N 0 0 383.922 4.275 40 10 GICBRN Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)n1 ZINC000140165380 570495428 /nfs/dbraw/zinc/49/54/28/570495428.db2.gz PTQMIQPCIBTTLG-UHFFFAOYSA-N 0 0 388.515 4.078 40 10 GICBRN C[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCCC2)cc1 ZINC000225696825 570605113 /nfs/dbraw/zinc/60/51/13/570605113.db2.gz VIFGQRACBIKTRL-INIZCTEOSA-N 0 0 396.560 4.036 40 10 GICBRN CCN(CC)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000225815680 570621055 /nfs/dbraw/zinc/62/10/55/570621055.db2.gz NLECYUYLAOMAGF-UHFFFAOYSA-N 0 0 380.410 4.247 40 10 GICBRN CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000005003618 570652776 /nfs/dbraw/zinc/65/27/76/570652776.db2.gz HJWLDXYEOZUPBN-FQEVSTJZSA-N 0 0 387.524 4.284 40 10 GICBRN CCSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408991562 570690181 /nfs/dbraw/zinc/69/01/81/570690181.db2.gz QJXAGGGVWKHXFE-FQEVSTJZSA-N 0 0 394.544 4.419 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000006078809 570737596 /nfs/dbraw/zinc/73/75/96/570737596.db2.gz AIMWWPWRYRXTIR-LFIBNONCSA-N 0 0 386.454 4.399 40 10 GICBRN CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000013670773 570770357 /nfs/dbraw/zinc/77/03/57/570770357.db2.gz ABBZSTDLDOCQHD-MDWZMJQESA-N 0 0 378.516 4.150 40 10 GICBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000229885348 570961568 /nfs/dbraw/zinc/96/15/68/570961568.db2.gz HLPFWSVVQWOJLB-SXGZJXTBSA-N 0 0 382.416 4.447 40 10 GICBRN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(OC)cc3C)S2)cc1 ZINC000006207640 817667350 /nfs/dbraw/zinc/66/73/50/817667350.db2.gz QRWAUVJPLDPVFE-UNOMPAQXSA-N 0 0 398.484 4.493 40 10 GICBRN CCN1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)SC1=S ZINC000006418186 817689476 /nfs/dbraw/zinc/68/94/76/817689476.db2.gz NIBGWCOXQLBECQ-UVTDQMKNSA-N 0 0 393.331 4.461 40 10 GICBRN CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)SC1=S ZINC000006654817 817716184 /nfs/dbraw/zinc/71/61/84/817716184.db2.gz HCAZDLINLGBHQO-YBEGLDIGSA-N 0 0 387.482 4.263 40 10 GICBRN Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1-c1cccnc1 ZINC000409081421 231156446 /nfs/dbraw/zinc/15/64/46/231156446.db2.gz ODOCALPQHHUWSL-MOSHPQCFSA-N 0 0 394.544 4.222 40 10 GICBRN CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S ZINC000409352118 530039621 /nfs/dbraw/zinc/03/96/21/530039621.db2.gz WERKXPGHHMZHDJ-QPEQYQDCSA-N 0 0 380.834 4.339 40 10 GICBRN COc1ccc2c(c1)c(/C=C1\SC(=S)N(Cc3ccco3)C1=O)c(C)n2C ZINC000054360815 209113711 /nfs/dbraw/zinc/11/37/11/209113711.db2.gz KHHLIRLWGTUOAK-ZDLGFXPLSA-N 0 0 398.509 4.490 40 10 GICBRN Oc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000329025707 206241383 /nfs/dbraw/zinc/24/13/83/206241383.db2.gz PIALUYAXXWZEIZ-UHFFFAOYSA-N 0 0 395.894 4.230 40 10 GICBRN CCCOC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000016679456 207076316 /nfs/dbraw/zinc/07/63/16/207076316.db2.gz FKJYFPMVTORTNR-FAIWILQLSA-N 0 0 375.515 4.177 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)S1 ZINC000032110002 207392879 /nfs/dbraw/zinc/39/28/79/207392879.db2.gz LMBNQXWLQDOKHB-LICLKQGHSA-N 0 0 386.860 4.025 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000222793001 208883447 /nfs/dbraw/zinc/88/34/47/208883447.db2.gz OJCIRLSYHPQXBF-SFTDATJTSA-N 0 0 391.544 4.185 40 10 GICBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408765858 533266787 /nfs/dbraw/zinc/26/67/87/533266787.db2.gz BOGZJHFVYPWTDQ-RMENWYJGSA-N 0 0 392.411 4.029 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000408797758 533268697 /nfs/dbraw/zinc/26/86/97/533268697.db2.gz SPTAXIBTTWAVRL-VBKFSLOCSA-N 0 0 383.444 4.425 40 10 GICBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408765834 533266764 /nfs/dbraw/zinc/26/67/64/533266764.db2.gz BNDPGPMMQPHZSE-KQRQPNSISA-N 0 0 390.483 4.186 40 10 GICBRN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218160149 136203734 /nfs/dbraw/zinc/20/37/34/136203734.db2.gz SILOPWUEXIQFDZ-SJORKVTESA-N 0 0 381.476 4.251 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000408708811 533720702 /nfs/dbraw/zinc/72/07/02/533720702.db2.gz TUSRPCXFHMHMEY-LJQANCHMSA-N 0 0 387.483 4.394 40 10 GICBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(C)=C2C(=O)OC)cc1 ZINC000408894625 528368921 /nfs/dbraw/zinc/36/89/21/528368921.db2.gz RXICBQWVMTVAOT-UYRXBGFRSA-N 0 0 381.403 4.102 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)N(C)C2=S)cc1 ZINC000409127274 528482874 /nfs/dbraw/zinc/48/28/74/528482874.db2.gz PIRQVXYRHLXXDW-MOSHPQCFSA-N 0 0 395.528 4.443 40 10 GICBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O ZINC000409246410 528952186 /nfs/dbraw/zinc/95/21/86/528952186.db2.gz IAVZOVQZIVVMIK-OVCLIPMQSA-N 0 0 378.259 4.314 40 10 GICBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000035103644 570284285 /nfs/dbraw/zinc/28/42/85/570284285.db2.gz XMFBEWJKRBNHPO-HMAPJEAMSA-N 0 0 399.494 4.481 40 10 GICBRN CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=C(C(=O)[O-])C=CC2=O)cc1 ZINC000104345683 570301553 /nfs/dbraw/zinc/30/15/53/570301553.db2.gz NMVWROTXXTUHJG-DQRAZIAOSA-N 0 0 385.420 4.004 40 10 GICBRN CCCCCCOc1ccc(Cl)cc1/C=C1/SC(NC(C)=O)=NC1=O ZINC000006273294 570316037 /nfs/dbraw/zinc/31/60/37/570316037.db2.gz VYDZNRRMGHTNNN-LFIBNONCSA-N 0 0 380.897 4.406 40 10 GICBRN Cc1ccc(C)n1-c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072216771 570317858 /nfs/dbraw/zinc/31/78/58/570317858.db2.gz XNIVFQNBJRYMTJ-OAQYLSRUSA-N 0 0 395.528 4.323 40 10 GICBRN Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072216832 570317934 /nfs/dbraw/zinc/31/79/34/570317934.db2.gz OWGIWSMPYKPLCP-NRFANRHFSA-N 0 0 395.528 4.323 40 10 GICBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000003069367 570327633 /nfs/dbraw/zinc/32/76/33/570327633.db2.gz ZANWWRMLUZSJND-YBEGLDIGSA-N 0 0 384.438 4.203 40 10 GICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(F)c1 ZINC000222738835 570423233 /nfs/dbraw/zinc/42/32/33/570423233.db2.gz RUYWECJVFXGJLP-WOJBJXKFSA-N 0 0 380.492 4.231 40 10 GICBRN Cc1ccc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c(C)c1 ZINC000005374768 570436315 /nfs/dbraw/zinc/43/63/15/570436315.db2.gz IIUMFPQSPLETQS-GZTJUZNOSA-N 0 0 382.510 4.387 40 10 GICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)c1 ZINC000005551907 570445401 /nfs/dbraw/zinc/44/54/01/570445401.db2.gz SFHFWLVQFBCKRK-YBEGLDIGSA-N 0 0 384.438 4.203 40 10 GICBRN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466444 570494240 /nfs/dbraw/zinc/49/42/40/570494240.db2.gz SILOPWUEXIQFDZ-IRXDYDNUSA-N 0 0 381.476 4.251 40 10 GICBRN O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)N1CCCCC1 ZINC000000924778 570538458 /nfs/dbraw/zinc/53/84/58/570538458.db2.gz AJQOTRHXJGWEOJ-UHFFFAOYSA-N 0 0 399.491 4.435 40 10 GICBRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408755660 570544996 /nfs/dbraw/zinc/54/49/96/570544996.db2.gz RVYINDJHNIOGJW-CJLVFECKSA-N 0 0 383.451 4.293 40 10 GICBRN CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 ZINC000225424902 570572951 /nfs/dbraw/zinc/57/29/51/570572951.db2.gz GUIQFNPCVCCPOI-UHFFFAOYSA-N 0 0 397.544 4.259 40 10 GICBRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1F ZINC000225608419 570593197 /nfs/dbraw/zinc/59/31/97/570593197.db2.gz MNGVITWVTZQGEM-NVXWUHKLSA-N 0 0 390.524 4.410 40 10 GICBRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000225664465 570600298 /nfs/dbraw/zinc/60/02/98/570600298.db2.gz IKUANNYOTBAMKI-MRXNPFEDSA-N 0 0 397.544 4.496 40 10 GICBRN COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225691488 570603741 /nfs/dbraw/zinc/60/37/41/570603741.db2.gz MTHOQZGBCIXBPK-MRXNPFEDSA-N 0 0 397.544 4.196 40 10 GICBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c(OC)c1 ZINC000225694301 570604087 /nfs/dbraw/zinc/60/40/87/570604087.db2.gz VTGBQTCVEMXICF-HNNXBMFYSA-N 0 0 385.533 4.352 40 10 GICBRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1C ZINC000225695298 570604480 /nfs/dbraw/zinc/60/44/80/570604480.db2.gz DYKDGFQWGSMTBQ-INIZCTEOSA-N 0 0 397.544 4.429 40 10 GICBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1 ZINC000058865612 570648102 /nfs/dbraw/zinc/64/81/02/570648102.db2.gz BMHMSFLNJMPLGP-UHFFFAOYSA-N 0 0 378.424 4.409 40 10 GICBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3O)S2)cc1 ZINC000408775499 570682685 /nfs/dbraw/zinc/68/26/85/570682685.db2.gz TWDYMGQJLNACEL-VLOXRPPESA-N 0 0 397.544 4.400 40 10 GICBRN Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260802959 570708318 /nfs/dbraw/zinc/70/83/18/570708318.db2.gz TYIATXWQLJPKLJ-DOTOQJQBSA-N 0 0 390.524 4.410 40 10 GICBRN C[C@@H]1CN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@H](C)O1 ZINC000013060359 570744717 /nfs/dbraw/zinc/74/47/17/570744717.db2.gz AANABLUNKXOBFF-LAPQFRIASA-N 0 0 383.879 4.187 40 10 GICBRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000013669303 570770025 /nfs/dbraw/zinc/77/00/25/570770025.db2.gz NPLFKGNUYYJXID-XBXARRHUSA-N 0 0 391.298 4.160 40 10 GICBRN C[C@@H]1[C@H](/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C ZINC000016608277 570913894 /nfs/dbraw/zinc/91/38/94/570913894.db2.gz GJEDYODRNPXMLU-CNPAHOQCSA-N 0 0 387.527 4.179 40 10 GICBRN COc1ccc(CN2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=S)cc1 ZINC000008117201 818003007 /nfs/dbraw/zinc/00/30/07/818003007.db2.gz SGUIGVDENHRSJP-MRXNPFEDSA-N 0 0 377.918 4.320 40 10 GICBRN CCOc1ccccc1/C=C1\C(=O)N(CCc2ccccc2)C(C)=C1C(=O)OC ZINC000059435678 230944811 /nfs/dbraw/zinc/94/48/11/230944811.db2.gz UKGPPWOXRJMGAX-SILNSSARSA-N 0 0 391.467 4.001 40 10 GICBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@@H]21 ZINC000409158098 231172948 /nfs/dbraw/zinc/17/29/48/231172948.db2.gz WNDDRILSVNSXPO-NQCMUKECSA-N 0 0 382.416 4.447 40 10 GICBRN CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C ZINC000409228363 231183148 /nfs/dbraw/zinc/18/31/48/231183148.db2.gz XVTHEIKTWNWSIZ-XDHOZWIPSA-N 0 0 395.528 4.080 40 10 GICBRN CCCOC(=O)CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000001809318 209116709 /nfs/dbraw/zinc/11/67/09/209116709.db2.gz OONSXGXRLMJSLP-GHXNOFRVSA-N 0 0 390.313 4.148 40 10 GICBRN COc1cccc2ccc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)nc21 ZINC000054360839 209114380 /nfs/dbraw/zinc/11/43/80/209114380.db2.gz YXLKOFZJMKJIAH-YVLHZVERSA-N 0 0 394.477 4.355 40 10 GICBRN CCOc1ccc([C@H](NC(=O)c2cccnc2)c2ccc3cccnc3c2O)cc1 ZINC000000890435 206331471 /nfs/dbraw/zinc/33/14/71/206331471.db2.gz IHGKRRGTIZSSFX-NRFANRHFSA-N 0 0 399.450 4.254 40 10 GICBRN COc1ccc(Nc2cc3c(c4nsnc42)C(=O)c2ccccc2C3=O)cc1 ZINC000004600999 206534290 /nfs/dbraw/zinc/53/42/90/206534290.db2.gz SVXYVFIEDXTUTQ-UHFFFAOYSA-N 0 0 387.420 4.219 40 10 GICBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1 ZINC000017373759 207089865 /nfs/dbraw/zinc/08/98/65/207089865.db2.gz CMRCYZLRSDSGMN-DTQAZKPQSA-N 0 0 397.525 4.010 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000032111767 207392030 /nfs/dbraw/zinc/39/20/30/207392030.db2.gz GQDIFUFXGLKIFO-LICLKQGHSA-N 0 0 386.860 4.025 40 10 GICBRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 ZINC000222596102 208878804 /nfs/dbraw/zinc/87/88/04/208878804.db2.gz OQRHWIDRFFMJAW-JHVJFLLYSA-N 0 0 394.544 4.280 40 10 GICBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222864013 208885069 /nfs/dbraw/zinc/88/50/69/208885069.db2.gz POVMMFLIVMYNAZ-NHCUHLMSSA-N 0 0 391.544 4.267 40 10 GICBRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000225289464 208947722 /nfs/dbraw/zinc/94/77/22/208947722.db2.gz QWZFUEOUUYMYSS-GOSISDBHSA-N 0 0 378.516 4.249 40 10 GICBRN COc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1OC ZINC000225416042 208949977 /nfs/dbraw/zinc/94/99/77/208949977.db2.gz QVWRDCQCVFOIQF-UHFFFAOYSA-N 0 0 385.533 4.181 40 10 GICBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000409054418 533265397 /nfs/dbraw/zinc/26/53/97/533265397.db2.gz JPUKPBISCZHGGO-RGEXLXHISA-N 0 0 396.443 4.158 40 10 GICBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccccc1OC ZINC000409056328 533265871 /nfs/dbraw/zinc/26/58/71/533265871.db2.gz CTALTGQVYABJAW-CYVLTUHYSA-N 0 0 381.472 4.258 40 10 GICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000409022150 533266258 /nfs/dbraw/zinc/26/62/58/533266258.db2.gz GMRWXZVVJBZEMW-MOSHPQCFSA-N 0 0 377.440 4.189 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000408995731 533269294 /nfs/dbraw/zinc/26/92/94/533269294.db2.gz DLLUMFRIGKYVBQ-ATVHPVEESA-N 0 0 398.256 4.326 40 10 GICBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NC2CCCC2)cc1 ZINC000017080371 533431248 /nfs/dbraw/zinc/43/12/48/533431248.db2.gz SRSMIDODUWVJFU-QNGOZBTKSA-N 0 0 393.462 4.391 40 10 GICBRN CC1=CC(C)(C)N(C)c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc21 ZINC000208446218 136202760 /nfs/dbraw/zinc/20/27/60/136202760.db2.gz ITXSHGXTMGJIJQ-NDENLUEZSA-N 0 0 387.508 4.089 40 10 GICBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc21 ZINC000208199388 136202842 /nfs/dbraw/zinc/20/28/42/136202842.db2.gz JMLKXDHBALMBEB-GQFJFNLSSA-N 0 0 389.524 4.179 40 10 GICBRN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCC(C)CC2)cc1 ZINC000218159998 136203644 /nfs/dbraw/zinc/20/36/44/136203644.db2.gz IBODOFXSLUNHSA-KRWDZBQOSA-N 0 0 381.476 4.251 40 10 GICBRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000223696545 136205894 /nfs/dbraw/zinc/20/58/94/136205894.db2.gz MRWHATIHDUCHTM-HNNXBMFYSA-N 0 0 378.925 4.055 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000408708099 533720811 /nfs/dbraw/zinc/72/08/11/533720811.db2.gz OBVFAWDMACVGSU-LJQANCHMSA-N 0 0 387.483 4.394 40 10 GICBRN COc1ccc(OC)c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1 ZINC000408971705 534223335 /nfs/dbraw/zinc/22/33/35/534223335.db2.gz PLEILRMEVIEDFG-PTNGSMBKSA-N 0 0 376.334 4.052 40 10 GICBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCc1ccc(F)cc1 ZINC000103917889 528065104 /nfs/dbraw/zinc/06/51/04/528065104.db2.gz OEAHMLCJNGNQET-QNGOZBTKSA-N 0 0 381.451 4.401 40 10 GICBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000105413652 528145558 /nfs/dbraw/zinc/14/55/58/528145558.db2.gz TVWZWGGSJHBBTQ-UXBLZVDNSA-N 0 0 397.259 4.096 40 10 GICBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNCCc1ccccc1 ZINC000408535622 528146069 /nfs/dbraw/zinc/14/60/69/528146069.db2.gz ZCUSMFUUEOGAJN-AQTBWJFISA-N 0 0 398.304 4.196 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(NC(C)=O)cc3)SC2=S)cc1 ZINC000409351104 528482866 /nfs/dbraw/zinc/48/28/66/528482866.db2.gz ZNBGQCXULGJPMI-PDGQHHTCSA-N 0 0 398.509 4.450 40 10 GICBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O ZINC000409068003 528953911 /nfs/dbraw/zinc/95/39/11/528953911.db2.gz SDNMKAHRPDAIEZ-WOJGMQOQSA-N 0 0 398.484 4.245 40 10 GICBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c1OC ZINC000002358759 570284315 /nfs/dbraw/zinc/28/43/15/570284315.db2.gz LBZGBORYVHGXHU-XNTDXEJSSA-N 0 0 375.446 4.249 40 10 GICBRN CC1(C)Cc2ccccc2C(=C(N=Nc2ccc(Br)cc2)C(N)=O)N1 ZINC000104833532 570303903 /nfs/dbraw/zinc/30/39/03/570303903.db2.gz BNBOUMIJPUPSKC-KNGPGTPUSA-N 0 0 399.292 4.311 40 10 GICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C)cc1 ZINC000222737699 570422959 /nfs/dbraw/zinc/42/29/59/570422959.db2.gz FIBUKRWRQGBSAQ-SFTDATJTSA-N 0 0 376.529 4.400 40 10 GICBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 ZINC000222741653 570423477 /nfs/dbraw/zinc/42/34/77/570423477.db2.gz JXVAIBMGYSPKLG-LEWJYISDSA-N 0 0 392.528 4.100 40 10 GICBRN CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000005370717 570435277 /nfs/dbraw/zinc/43/52/77/570435277.db2.gz CXCJEPCNURCKDM-SSZFMOIBSA-N 0 0 393.530 4.020 40 10 GICBRN C[C@@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)c1ccccc1 ZINC000005374701 570435961 /nfs/dbraw/zinc/43/59/61/570435961.db2.gz JNXCQHGFQWMGCL-KAECEXQPSA-N 0 0 382.510 4.009 40 10 GICBRN CCc1ccccc1N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000005552061 570445545 /nfs/dbraw/zinc/44/55/45/570445545.db2.gz MEWSJYHTZDAOBV-MSUUIHNZSA-N 0 0 380.494 4.001 40 10 GICBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1ccccc1 ZINC000000924842 570538534 /nfs/dbraw/zinc/53/85/34/570538534.db2.gz RWWVJRRWMJUIFZ-LJQANCHMSA-N 0 0 393.512 4.460 40 10 GICBRN CCN(CC)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000225068022 570546600 /nfs/dbraw/zinc/54/66/00/570546600.db2.gz ZXWCSUPSEQFTMV-UHFFFAOYSA-N 0 0 387.332 4.318 40 10 GICBRN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1 ZINC000010113671 570565869 /nfs/dbraw/zinc/56/58/69/570565869.db2.gz ULXPSWQJKFFCLC-UHFFFAOYSA-N 0 0 399.343 4.213 40 10 GICBRN COc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1Cl ZINC000225423739 570572499 /nfs/dbraw/zinc/57/24/99/570572499.db2.gz KBUUGKNEZREEDE-UHFFFAOYSA-N 0 0 375.925 4.435 40 10 GICBRN CCN(CCNC(=S)Nc1ccc(OC)c2ncccc12)c1ccc(C)cc1 ZINC000225794726 570618282 /nfs/dbraw/zinc/61/82/82/570618282.db2.gz RXKJCSDDTMGNNF-UHFFFAOYSA-N 0 0 394.544 4.365 40 10 GICBRN CCOc1c(Cl)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC ZINC000408934437 570686934 /nfs/dbraw/zinc/68/69/34/570686934.db2.gz AQIWHSBHEDETTD-MHWRWJLKSA-N 0 0 398.846 4.189 40 10 GICBRN COc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1OC ZINC000260737503 570700699 /nfs/dbraw/zinc/70/06/99/570700699.db2.gz KXACXDRXOFZTSO-INIZCTEOSA-N 0 0 399.560 4.427 40 10 GICBRN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(OC)c(OC)c3)S2)cc1 ZINC000001469851 570715331 /nfs/dbraw/zinc/71/53/31/570715331.db2.gz LHUJMSZZUNYCOK-PDGQHHTCSA-N 0 0 384.457 4.185 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(C)c(C(=O)OC)ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000006960583 570753852 /nfs/dbraw/zinc/75/38/52/570753852.db2.gz NKOWDBNVUZTKNG-UEXGIBASSA-N 0 0 377.440 4.395 40 10 GICBRN CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC)C1=O ZINC000007717755 570761831 /nfs/dbraw/zinc/76/18/31/570761831.db2.gz HUPQNSNPCKBHJK-LCYFTJDESA-N 0 0 386.336 4.459 40 10 GICBRN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000013389142 570840025 /nfs/dbraw/zinc/84/00/25/570840025.db2.gz SYIBZGJJUGLAAE-SXGZJXTBSA-N 0 0 382.416 4.447 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000006205958 817667529 /nfs/dbraw/zinc/66/75/29/817667529.db2.gz VMWHYTZPZBIWAX-HXUWFJFHSA-N 0 0 395.528 4.026 40 10 GICBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)SC1=S ZINC000006205506 817667607 /nfs/dbraw/zinc/66/76/07/817667607.db2.gz IXGNCTJCWIKUPH-UVTDQMKNSA-N 0 0 393.331 4.461 40 10 GICBRN COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)c1 ZINC000408753534 231111893 /nfs/dbraw/zinc/11/18/93/231111893.db2.gz NGJNHLOYHYDZKD-KGENOOAVSA-N 0 0 388.398 4.374 40 10 GICBRN COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000409235828 231185614 /nfs/dbraw/zinc/18/56/14/231185614.db2.gz CDWRSSSXJJKOMC-UYRXBGFRSA-N 0 0 384.501 4.475 40 10 GICBRN O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1cccc(F)c1 ZINC000409334229 231190814 /nfs/dbraw/zinc/19/08/14/231190814.db2.gz VICKGEOQAKCRMP-SXGWCWSVSA-N 0 0 383.425 4.338 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000409342212 231192457 /nfs/dbraw/zinc/19/24/57/231192457.db2.gz CUJLLNYFVGVGIG-YBEGLDIGSA-N 0 0 386.454 4.318 40 10 GICBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O ZINC000409098920 529695650 /nfs/dbraw/zinc/69/56/50/529695650.db2.gz RJKJTUGTBULLLE-FHXOWUIVSA-N 0 0 390.505 4.139 40 10 GICBRN CCCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000005738205 209612921 /nfs/dbraw/zinc/61/29/21/209612921.db2.gz MVTGTNCDVFOEOG-SDNWHVSQSA-N 0 0 383.922 4.275 40 10 GICBRN CCOc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O ZINC000005372075 209590505 /nfs/dbraw/zinc/59/05/05/209590505.db2.gz YNXRIEVRXYUORE-ZDLGFXPLSA-N 0 0 399.493 4.399 40 10 GICBRN CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccccc21 ZINC000004272049 209475920 /nfs/dbraw/zinc/47/59/20/209475920.db2.gz GWDSMXGVMUDVLH-UHFFFAOYSA-N 0 0 386.451 4.387 40 10 in-vitro GICBRN Cc1ccc(C2=NC(=O)/C(=C/c3ccccc3OCC(=O)OC(C)C)S2)cc1 ZINC000001436561 212060901 /nfs/dbraw/zinc/06/09/01/212060901.db2.gz YGBPAQDBZAWMSW-UNOMPAQXSA-N 0 0 395.480 4.387 40 10 GICBRN Cc1cccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000026681002 209177584 /nfs/dbraw/zinc/17/75/84/209177584.db2.gz NABPPVBCFQKWOF-AQTBWJFISA-N 0 0 385.510 4.284 40 10 GICBRN COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c1 ZINC000001293914 220485712 /nfs/dbraw/zinc/48/57/12/220485712.db2.gz KUQSMAGRAOIMHF-CXUHLZMHSA-N 0 0 375.446 4.249 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408896392 533266357 /nfs/dbraw/zinc/26/63/57/533266357.db2.gz YIRLKALNSHGELZ-UNOMPAQXSA-N 0 0 392.411 4.089 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000408708038 533721442 /nfs/dbraw/zinc/72/14/42/533721442.db2.gz NNVSTBQAHZSKIC-QGZVFWFLSA-N 0 0 391.446 4.225 40 10 GICBRN COc1ccc(Cl)cc1-n1c(C)cc(C=C2SC(=S)NC2=O)c1C ZINC000408995791 533831758 /nfs/dbraw/zinc/83/17/58/533831758.db2.gz NJHUZOGRETUEOR-CHHVJCJISA-N 0 0 378.906 4.245 40 10 GICBRN O=C(Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1cccc(Cl)c1 ZINC000408766173 534566753 /nfs/dbraw/zinc/56/67/53/534566753.db2.gz SFXKGDAQHPXKHH-ZSOIEALJSA-N 0 0 375.858 4.048 40 10 GICBRN CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c(OC(C)=O)c1 ZINC000408741814 527117765 /nfs/dbraw/zinc/11/77/65/527117765.db2.gz LICXSFFIVZENIT-CXUHLZMHSA-N 0 0 398.798 4.172 40 10 GICBRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408718544 528299801 /nfs/dbraw/zinc/29/98/01/528299801.db2.gz WUCGZTJFTHBTDB-UHFFFAOYSA-N 0 0 394.302 4.095 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000408892851 528615502 /nfs/dbraw/zinc/61/55/02/528615502.db2.gz KDGPXIRHBJPBFW-MOSHPQCFSA-N 0 0 377.440 4.276 40 10 GICBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1Br ZINC000408586756 528616141 /nfs/dbraw/zinc/61/61/41/528616141.db2.gz PFYIGBPHXHOJDJ-GDNBJRDFSA-N 0 0 392.293 4.168 40 10 GICBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)SC1=S ZINC000409340522 528944506 /nfs/dbraw/zinc/94/45/06/528944506.db2.gz YNHBRCFZMUCSHW-MDWZMJQESA-N 0 0 386.336 4.457 40 10 GICBRN Cc1c(C)c(N2CCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2SCCN21 ZINC000209940131 570312214 /nfs/dbraw/zinc/31/22/14/570312214.db2.gz MHARJESMGJTFOU-RTWAWAEBSA-N 0 0 378.545 4.499 40 10 GICBRN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 ZINC000222595973 570416148 /nfs/dbraw/zinc/41/61/48/570416148.db2.gz OQRHWIDRFFMJAW-RVHYNSKXSA-N 0 0 394.544 4.280 40 10 GICBRN CCCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCC)cc2)SC1=S ZINC000005370680 570435122 /nfs/dbraw/zinc/43/51/22/570435122.db2.gz BRRMAJSSLAXHIL-VBKFSLOCSA-N 0 0 393.530 4.020 40 10 GICBRN CCOC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000005370973 570435251 /nfs/dbraw/zinc/43/52/51/570435251.db2.gz LQZUADAUWRICTI-QLKCLSONSA-N 0 0 375.515 4.177 40 10 GICBRN CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000005370753 570435260 /nfs/dbraw/zinc/43/52/60/570435260.db2.gz RSLNWKWZIIRYLC-BXWAGETQSA-N 0 0 392.546 4.052 40 10 GICBRN COc1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC ZINC000005371403 570435510 /nfs/dbraw/zinc/43/55/10/570435510.db2.gz UQXSKFMNHDFZRH-ZDLGFXPLSA-N 0 0 399.493 4.312 40 10 GICBRN CCc1ccccc1N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000005371714 570435519 /nfs/dbraw/zinc/43/55/19/570435519.db2.gz PSVYZHIITODNJH-ATVHPVEESA-N 0 0 383.494 4.441 40 10 GICBRN COc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c(OC)c1 ZINC000005371793 570435652 /nfs/dbraw/zinc/43/56/52/570435652.db2.gz XQUAVVQIEXWVDI-SXGWCWSVSA-N 0 0 375.446 4.249 40 10 GICBRN COc1ccc(NC2=NC(=O)C(=Cc3cn(C)c4ccccc34)S2)c(OC)c1 ZINC000005376649 570436653 /nfs/dbraw/zinc/43/66/53/570436653.db2.gz AVLZDIZZAPWNID-VXLYETTFSA-N 0 0 393.468 4.278 40 10 GICBRN Cc1cc(C)c2c(C(=O)OC(C)(C)C)c3c(n2c1)C(=O)c1ccccc1C3=O ZINC000001926280 570462570 /nfs/dbraw/zinc/46/25/70/570462570.db2.gz IKLQJOXPPLJXKR-UHFFFAOYSA-N 0 0 375.424 4.287 40 10 GICBRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC ZINC000260466398 570494171 /nfs/dbraw/zinc/49/41/71/570494171.db2.gz SAFIEBZLHUHODZ-IRXDYDNUSA-N 0 0 382.504 4.431 40 10 GICBRN COc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000225657773 570598792 /nfs/dbraw/zinc/59/87/92/570598792.db2.gz LCZCVBZMVBWNNU-MRXNPFEDSA-N 0 0 384.549 4.374 40 10 GICBRN COc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225671959 570601183 /nfs/dbraw/zinc/60/11/83/570601183.db2.gz ACDMPTAJBJJZJQ-CVEARBPZSA-N 0 0 384.549 4.374 40 10 GICBRN CCN(CCCNC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(C)cc1 ZINC000225733254 570610634 /nfs/dbraw/zinc/61/06/34/570610634.db2.gz SVNAKHRQDKCEHT-UHFFFAOYSA-N 0 0 387.549 4.215 40 10 GICBRN COc1ccc(C2=C/C(=C\c3ccc(OC)c(Br)c3)C(=O)O2)cc1 ZINC000033409600 570645778 /nfs/dbraw/zinc/64/57/78/570645778.db2.gz KFECPIWAIDEXMO-NTEUORMPSA-N 0 0 387.229 4.448 40 10 GICBRN CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000005003617 570652699 /nfs/dbraw/zinc/65/26/99/570652699.db2.gz HJWLDXYEOZUPBN-HXUWFJFHSA-N 0 0 387.524 4.284 40 10 GICBRN COC(=O)c1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000004959471 570652969 /nfs/dbraw/zinc/65/29/69/570652969.db2.gz TUVWSTBUSUXFDH-CKFHNAJUSA-N 0 0 380.400 4.217 40 10 GICBRN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CN1CCCCC1 ZINC000059422890 570656542 /nfs/dbraw/zinc/65/65/42/570656542.db2.gz RBKFZZMVXYHVRJ-GXDHUFHOSA-N 0 0 397.363 4.094 40 10 GICBRN COc1ccccc1/C=C1/N=C(c2ccccc2F)N(c2ccc(O)cc2)C1=O ZINC000408762694 570667650 /nfs/dbraw/zinc/66/76/50/570667650.db2.gz KWJPPRKHYVNAEM-XSFVSMFZSA-N 0 0 388.398 4.374 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000408762577 570667732 /nfs/dbraw/zinc/66/77/32/570667732.db2.gz FACUSHNQTMJKAQ-AUWJEWJLSA-N 0 0 381.240 4.360 40 10 GICBRN COc1ccc(CCC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1C ZINC000260815099 570707766 /nfs/dbraw/zinc/70/77/66/570707766.db2.gz REOGKUOWIGFKIY-SFHVURJKSA-N 0 0 380.532 4.489 40 10 GICBRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1F ZINC000260801776 570708141 /nfs/dbraw/zinc/70/81/41/570708141.db2.gz MNGVITWVTZQGEM-RDJZCZTQSA-N 0 0 390.524 4.410 40 10 GICBRN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)sc2c1 ZINC000100484771 570708476 /nfs/dbraw/zinc/70/84/76/570708476.db2.gz IFNGGZGCIVIIGT-WJDWOHSUSA-N 0 0 378.457 4.332 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000005959359 570737303 /nfs/dbraw/zinc/73/73/03/570737303.db2.gz XXNXDXKEBDJWLU-LFIBNONCSA-N 0 0 386.454 4.399 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000006348210 570740849 /nfs/dbraw/zinc/74/08/49/570740849.db2.gz DTKRYSXQPHQZCP-WJDWOHSUSA-N 0 0 398.802 4.125 40 10 GICBRN CN(C)c1ccc([C@@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc1 ZINC000006351424 570741210 /nfs/dbraw/zinc/74/12/10/570741210.db2.gz FKIBCVJAHVKGOY-MRXNPFEDSA-N 0 0 382.514 4.188 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 ZINC000006952979 570751294 /nfs/dbraw/zinc/75/12/94/570751294.db2.gz AZVZWAAPZJYULP-DOXZYTNZSA-N 0 0 380.400 4.217 40 10 GICBRN CCOc1ccc2ccc(OCC)c(C=C3C(=O)NC(=S)N(CC)C3=O)c2c1 ZINC000006950745 570751333 /nfs/dbraw/zinc/75/13/33/570751333.db2.gz JLYRFNAAGKXHSC-SFQUDFHCSA-N 0 0 398.484 4.124 40 10 GICBRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000010113206 570782362 /nfs/dbraw/zinc/78/23/62/570782362.db2.gz GXIRQGVCTAMVPU-UHFFFAOYSA-N 0 0 399.343 4.462 40 10 GICBRN COc1ccc(OCCCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000010113256 570782371 /nfs/dbraw/zinc/78/23/71/570782371.db2.gz PUINOVNVJFHJAW-UHFFFAOYSA-N 0 0 382.504 4.161 40 10 GICBRN Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000260572678 570920387 /nfs/dbraw/zinc/92/03/87/570920387.db2.gz QBMJTIIVBRKWFI-INIZCTEOSA-N 0 0 386.561 4.327 40 10 GICBRN COc1cc(C=C2SC(Nc3ccc(C)c(C)c3)=NC2=O)ccc1OCC#N ZINC000006613867 817711026 /nfs/dbraw/zinc/71/10/26/817711026.db2.gz LCUIONPJRYARAF-UNOMPAQXSA-N 0 0 393.468 4.297 40 10 GICBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)SC1=S ZINC000008054552 817989793 /nfs/dbraw/zinc/98/97/93/817989793.db2.gz QNXSBMXXJANNET-NVMNQCDNSA-N 0 0 398.509 4.210 40 10 GICBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(I)cc1 ZINC000167482922 823892571 /nfs/dbraw/zinc/89/25/71/823892571.db2.gz CMZGHMCNDHKLTB-LFIBNONCSA-N 0 0 388.208 4.097 40 10 GICBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O ZINC000409130142 231168114 /nfs/dbraw/zinc/16/81/14/231168114.db2.gz KLKJMRSIYWRCMO-LDADJPATSA-N 0 0 384.501 4.394 40 10 GICBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000409108212 231162822 /nfs/dbraw/zinc/16/28/22/231162822.db2.gz VSZRQBSNORPKPY-CPNJWEJPSA-N 0 0 391.471 4.110 40 10 GICBRN NC(=O)C1CCN(C(=S)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000409207465 231180199 /nfs/dbraw/zinc/18/01/99/231180199.db2.gz XPOZQJOWZZVBIX-UHFFFAOYSA-N 0 0 383.300 4.126 40 10 GICBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000005372303 209591164 /nfs/dbraw/zinc/59/11/64/209591164.db2.gz OHEQNBJWCXRYQN-MFOYZWKCSA-N 0 0 383.450 4.024 40 10 GICBRN O=C(c1ccccc1)c1ccccc1NC[C@@H](O)COc1ccc(Cl)cc1 ZINC000001585935 209333403 /nfs/dbraw/zinc/33/34/03/209333403.db2.gz GSBTWGCMIVOHLM-GOSISDBHSA-N 0 0 381.859 4.423 40 10 GICBRN COCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)ccc1OC ZINC000006490510 212070438 /nfs/dbraw/zinc/07/04/38/212070438.db2.gz IBIFDRYOVAAJIB-XMHGGMMESA-N 0 0 388.423 4.269 40 10 GICBRN CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S ZINC000001188328 212061020 /nfs/dbraw/zinc/06/10/20/212061020.db2.gz QAAASDAACJMRHA-GDNBJRDFSA-N 0 0 389.885 4.390 40 10 GICBRN COc1ccc2nc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)ccc2c1 ZINC000054360798 212059590 /nfs/dbraw/zinc/05/95/90/212059590.db2.gz LDYNTJUVSTUQBO-ZDLGFXPLSA-N 0 0 394.477 4.355 40 10 GICBRN COc1cccc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)c1 ZINC000054361187 212058320 /nfs/dbraw/zinc/05/83/20/212058320.db2.gz XNCZKVCCNYEBGK-MFOYZWKCSA-N 0 0 379.466 4.044 40 10 GICBRN S=C(NCCCN1CCc2ccccc21)Nc1cccc(Br)c1 ZINC000225558903 211906481 /nfs/dbraw/zinc/90/64/81/211906481.db2.gz AAGXCWIIERGNGJ-UHFFFAOYSA-N 0 0 390.350 4.188 40 10 GICBRN Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225598380 211908872 /nfs/dbraw/zinc/90/88/72/211908872.db2.gz TYIATXWQLJPKLJ-NVXWUHKLSA-N 0 0 390.524 4.410 40 10 GICBRN COc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c2cccnc12 ZINC000225425836 211897587 /nfs/dbraw/zinc/89/75/87/211897587.db2.gz LPRRJIZUOJFWDS-UHFFFAOYSA-N 0 0 392.528 4.330 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000006508406 211625856 /nfs/dbraw/zinc/62/58/56/211625856.db2.gz DALKIEZOYUHVAV-LICLKQGHSA-N 0 0 385.466 4.220 40 10 GICBRN Cc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000005005474 211558235 /nfs/dbraw/zinc/55/82/35/211558235.db2.gz LGCIBRIQSGDGCY-GHRIWEEISA-N 0 0 382.510 4.225 40 10 GICBRN COc1cccc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C(C)(C)C)nn32)c1O ZINC000072337380 211093316 /nfs/dbraw/zinc/09/33/16/211093316.db2.gz AFIMKDMXCGUCLY-DOTOQJQBSA-N 0 0 392.503 4.003 40 10 GICBRN COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)cc1 ZINC000408754049 533431360 /nfs/dbraw/zinc/43/13/60/533431360.db2.gz IHAHDUDWBDSPCK-DEDYPNTBSA-N 0 0 398.418 4.258 40 10 GICBRN COc1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000217946593 136203434 /nfs/dbraw/zinc/20/34/34/136203434.db2.gz HWEAMSGSQHEXNZ-GOSISDBHSA-N 0 0 382.504 4.188 40 10 GICBRN C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(N2CCC(C)CC2)cc1 ZINC000222653250 136204923 /nfs/dbraw/zinc/20/49/23/136204923.db2.gz HUAPCHRVPWJUFN-SFHVURJKSA-N 0 0 394.515 4.462 40 10 GICBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(NC(C)=O)cc2)SC1=S ZINC000409329295 534129430 /nfs/dbraw/zinc/12/94/30/534129430.db2.gz DLFAGSCMRUABTH-BOPFTXTBSA-N 0 0 384.482 4.059 40 10 GICBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(Cl)c2)SC1=S ZINC000409346177 534130762 /nfs/dbraw/zinc/13/07/62/534130762.db2.gz MVKAQYIKHKVWTK-OQLLNIDSSA-N 0 0 377.874 4.460 40 10 GICBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCc1ccccc1OC ZINC000103917559 528064676 /nfs/dbraw/zinc/06/46/76/528064676.db2.gz PPVSDGMYIKZHOT-JWGURIENSA-N 0 0 393.487 4.270 40 10 GICBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCc1cccc(OC)c1 ZINC000103917534 528065439 /nfs/dbraw/zinc/06/54/39/528065439.db2.gz VPWBSGUSTJYZEN-JWGURIENSA-N 0 0 393.487 4.270 40 10 GICBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1 ZINC000409205820 528293766 /nfs/dbraw/zinc/29/37/66/528293766.db2.gz FZECLERCSRVAIT-QGOAFFKASA-N 0 0 385.558 4.489 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(F)c1 ZINC000408585158 528616798 /nfs/dbraw/zinc/61/67/98/528616798.db2.gz BQDJAEOXCLAPPF-UYRXBGFRSA-N 0 0 381.403 4.102 40 10 GICBRN COc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000217840741 536839015 /nfs/dbraw/zinc/83/90/15/536839015.db2.gz FHOMWHJYHFWFIE-MSOLQXFVSA-N 0 0 382.504 4.188 40 10 GICBRN COc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000222793367 537132409 /nfs/dbraw/zinc/13/24/09/537132409.db2.gz BABMLWYFLSQEGM-SFHVURJKSA-N 0 0 382.504 4.188 40 10 GICBRN CCOc1c(/N=N\c2ccccc2OC)c(-c2ccccc2)nn1C(N)=S ZINC000104230979 570299851 /nfs/dbraw/zinc/29/98/51/570299851.db2.gz AEAKZXMEWPYCGH-DQRAZIAOSA-N 0 0 381.461 4.465 40 10 GICBRN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000103066588 570416803 /nfs/dbraw/zinc/41/68/03/570416803.db2.gz UPTKEHOGEFCOTP-QWVLCHBDSA-N 0 0 390.443 4.216 40 10 GICBRN COc1ccc(N(C)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000005319507 570433943 /nfs/dbraw/zinc/43/39/43/570433943.db2.gz WBGAQAQUGSJFTH-GZTJUZNOSA-N 0 0 388.876 4.479 40 10 GICBRN COc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O ZINC000005372020 570435626 /nfs/dbraw/zinc/43/56/26/570435626.db2.gz YWQKRJAUHYMWCO-YVLHZVERSA-N 0 0 385.466 4.009 40 10 GICBRN CN1C(=O)/C(=C\c2ccc(C(=O)N3CCCc4ccccc43)cc2)SC1=S ZINC000005374810 570436304 /nfs/dbraw/zinc/43/63/04/570436304.db2.gz QEEXLEPVGZUDTL-QGOAFFKASA-N 0 0 394.521 4.111 40 10 GICBRN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)n1 ZINC000035317114 570470261 /nfs/dbraw/zinc/47/02/61/570470261.db2.gz HLJWZNXCQWJINZ-UHFFFAOYSA-N 0 0 388.515 4.409 40 10 GICBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000225798408 570618505 /nfs/dbraw/zinc/61/85/05/570618505.db2.gz KMPHFKJSLANXHV-UHFFFAOYSA-N 0 0 383.439 4.137 40 10 GICBRN CCN1C(=O)C(=Cc2ccc(OCC(C)C)c3ccccc23)C(=O)NC1=S ZINC000059182340 570651248 /nfs/dbraw/zinc/65/12/48/570651248.db2.gz IQYSFZQUXGKPRK-GZTJUZNOSA-N 0 0 382.485 4.362 40 10 GICBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3O)S2)cc1 ZINC000408775502 570682706 /nfs/dbraw/zinc/68/27/06/570682706.db2.gz TWDYMGQJLNACEL-WLJFKGHSSA-N 0 0 397.544 4.400 40 10 GICBRN CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 ZINC000408989976 570689761 /nfs/dbraw/zinc/68/97/61/570689761.db2.gz VUTQZVAMHJYNDE-STZFKDTASA-N 0 0 391.467 4.267 40 10 GICBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)cc2F)S1 ZINC000260775055 570705179 /nfs/dbraw/zinc/70/51/79/570705179.db2.gz OZHHLQRZIWMION-VOBQZIQPSA-N 0 0 382.508 4.410 40 10 GICBRN C[C@@H]1[C@@H](/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C ZINC000005336123 570732311 /nfs/dbraw/zinc/73/23/11/570732311.db2.gz GJEDYODRNPXMLU-UEWWBUKWSA-N 0 0 387.527 4.179 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(C)c(C(=O)OC)ccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000006960497 570753739 /nfs/dbraw/zinc/75/37/39/570753739.db2.gz NKOWDBNVUZTKNG-WFXMLNOXSA-N 0 0 377.440 4.395 40 10 GICBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010113258 570782383 /nfs/dbraw/zinc/78/23/83/570782383.db2.gz RBHXKGZTEKFQPQ-JOCHJYFZSA-N 0 0 382.504 4.159 40 10 GICBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@@H]21 ZINC000013389252 570839800 /nfs/dbraw/zinc/83/98/00/570839800.db2.gz PHGUIQBXOQJKPJ-MBOZVWFJSA-N 0 0 377.440 4.476 40 10 GICBRN O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000112968288 570929643 /nfs/dbraw/zinc/92/96/43/570929643.db2.gz KHDQRICSQOPMQR-UHFFFAOYSA-N 0 0 377.874 4.433 40 10 GICBRN Cc1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000001263088 817375830 /nfs/dbraw/zinc/37/58/30/817375830.db2.gz SENDSESJYCBKBX-WCTLISOUSA-N 0 0 394.521 4.391 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 ZINC000005457925 817585831 /nfs/dbraw/zinc/58/58/31/817585831.db2.gz RRRWAFPOCYEJEG-QPEQYQDCSA-N 0 0 381.240 4.360 40 10 GICBRN CN(C)c1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1[N+](=O)[O-] ZINC000006027092 817641373 /nfs/dbraw/zinc/64/13/73/817641373.db2.gz JDYLROHRHAYALW-CAOOACKPSA-N 0 0 395.459 4.173 40 10 GICBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000006050334 817644201 /nfs/dbraw/zinc/64/42/01/817644201.db2.gz RBNINMNDMXJUCE-PTNGSMBKSA-N 0 0 379.378 4.321 40 10 GICBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1C ZINC000408903320 231127337 /nfs/dbraw/zinc/12/73/37/231127337.db2.gz QRYFNMYSOLOUON-BKUYFWCQSA-N 0 0 385.492 4.173 40 10 GICBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409019973 231147921 /nfs/dbraw/zinc/14/79/21/231147921.db2.gz LEENLNFNHMALKF-DEDYPNTBSA-N 0 0 375.403 4.331 40 10 GICBRN NC(=O)C1CCN(C(=S)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000409206126 231180725 /nfs/dbraw/zinc/18/07/25/231180725.db2.gz VHBNKCXHVFAVOS-UHFFFAOYSA-N 0 0 383.300 4.126 40 10 GICBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000409225753 231183630 /nfs/dbraw/zinc/18/36/30/231183630.db2.gz KTVCTFWSLAMJGL-HMAPJEAMSA-N 0 0 385.467 4.495 40 10 GICBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O ZINC000409338355 231191588 /nfs/dbraw/zinc/19/15/88/231191588.db2.gz IIIXMGBWUOECES-MHWRWJLKSA-N 0 0 386.454 4.318 40 10 GICBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1F ZINC000016268483 210186560 /nfs/dbraw/zinc/18/65/60/210186560.db2.gz ASWUNVRRZQPQFS-NSIKDUERSA-N 0 0 395.253 4.320 40 10 GICBRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1 ZINC000013671182 210078567 /nfs/dbraw/zinc/07/85/67/210078567.db2.gz FWYAFSYRXRPOHE-UHFFFAOYSA-N 0 0 380.513 4.309 40 10 GICBRN O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000256055923 211994434 /nfs/dbraw/zinc/99/44/34/211994434.db2.gz ZDORPAKOEFSVOQ-NVMNQCDNSA-N 0 0 392.461 4.369 40 10 GICBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222741927 211810018 /nfs/dbraw/zinc/81/00/18/211810018.db2.gz UORRXZDPNAUHOR-LEWJYISDSA-N 0 0 392.528 4.100 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000408769259 533267883 /nfs/dbraw/zinc/26/78/83/533267883.db2.gz MHIKGAKFXWVDEL-PDGQHHTCSA-N 0 0 383.444 4.425 40 10 GICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000409022521 533266218 /nfs/dbraw/zinc/26/62/18/533266218.db2.gz MBNADDYCPLPOTD-STZFKDTASA-N 0 0 390.483 4.247 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1OC ZINC000408892334 533266317 /nfs/dbraw/zinc/26/63/17/533266317.db2.gz ICIWHLLULFZMBN-UYRXBGFRSA-N 0 0 377.440 4.189 40 10 GICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000409024445 533266362 /nfs/dbraw/zinc/26/63/62/533266362.db2.gz SSNYUOSTSMEVIJ-UNOMPAQXSA-N 0 0 392.411 4.089 40 10 GICBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000408894591 533266534 /nfs/dbraw/zinc/26/65/34/533266534.db2.gz RNHZHJKEJRKPAQ-RMENWYJGSA-N 0 0 392.411 4.029 40 10 GICBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(OC)c1 ZINC000409340071 533472596 /nfs/dbraw/zinc/47/25/96/533472596.db2.gz QAAUGPLWHHPDGC-LICLKQGHSA-N 0 0 387.482 4.118 40 10 GICBRN COc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000217840825 136203475 /nfs/dbraw/zinc/20/34/75/136203475.db2.gz FHOMWHJYHFWFIE-QZTJIDSGSA-N 0 0 382.504 4.188 40 10 GICBRN COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC ZINC000217879555 136203489 /nfs/dbraw/zinc/20/34/89/136203489.db2.gz GMDPYWCAURWVNI-QGZVFWFLSA-N 0 0 382.504 4.431 40 10 GICBRN COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)SC2=S)cc1 ZINC000409346971 533994621 /nfs/dbraw/zinc/99/46/21/533994621.db2.gz OZZYYAFBPJRIAF-DHDCSXOGSA-N 0 0 377.874 4.460 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1 ZINC000409024991 526697215 /nfs/dbraw/zinc/69/72/15/526697215.db2.gz JMCQNCYVRDQCJV-YVLHZVERSA-N 0 0 386.860 4.025 40 10 GICBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCc1ccc(OC)cc1 ZINC000103917823 528064724 /nfs/dbraw/zinc/06/47/24/528064724.db2.gz KCRZPHBBHKZSMN-JWGURIENSA-N 0 0 393.487 4.270 40 10 GICBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1ccc(OC)cc1 ZINC000103917934 528065754 /nfs/dbraw/zinc/06/57/54/528065754.db2.gz GOKTYPGRLBDDFY-JWGURIENSA-N 0 0 395.478 4.443 40 10 GICBRN CCCN1C(=O)/C(=C\c2ccc(OCC)c(Br)c2)SC1=S ZINC000409338044 528163443 /nfs/dbraw/zinc/16/34/43/528163443.db2.gz BZJZAPFLVBJCCJ-UKTHLTGXSA-N 0 0 386.336 4.459 40 10 GICBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408724301 528370498 /nfs/dbraw/zinc/37/04/98/528370498.db2.gz ADTCUNIXBZAZHK-WJDWOHSUSA-N 0 0 386.454 4.399 40 10 GICBRN CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)NC3=O)c2C)cc1 ZINC000106693945 528564587 /nfs/dbraw/zinc/56/45/87/528564587.db2.gz GATAWAITTQATFP-PDGQHHTCSA-N 0 0 398.484 4.375 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(C)c1 ZINC000408585792 528617801 /nfs/dbraw/zinc/61/78/01/528617801.db2.gz IROFPFIFSRMBJN-ZHZULCJRSA-N 0 0 377.440 4.271 40 10 GICBRN CCOC(=O)COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000408901679 528850743 /nfs/dbraw/zinc/85/07/43/528850743.db2.gz HEIHGTRLVAMEDE-SFQUDFHCSA-N 0 0 399.493 4.034 40 10 GICBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000034690846 570209897 /nfs/dbraw/zinc/20/98/97/570209897.db2.gz ZWKTUZBLXYZXKU-STZFKDTASA-N 0 0 385.467 4.172 40 10 GICBRN Oc1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000329062271 570215611 /nfs/dbraw/zinc/21/56/11/570215611.db2.gz WWFKNSZEYFQLSN-UHFFFAOYSA-N 0 0 395.894 4.230 40 10 GICBRN CCOc1c(/N=N/c2ccc(OC)cc2)c(-c2ccccc2)nn1C(N)=S ZINC000104230988 570299897 /nfs/dbraw/zinc/29/98/97/570299897.db2.gz XXXBZPQJKIZZQL-QURGRASLSA-N 0 0 381.461 4.465 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000222793583 570426169 /nfs/dbraw/zinc/42/61/69/570426169.db2.gz WWFOSLCJMTXXTL-SFTDATJTSA-N 0 0 391.544 4.185 40 10 GICBRN CCc1ccccc1NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000005374775 570436327 /nfs/dbraw/zinc/43/63/27/570436327.db2.gz HUJWEGKPPYUAHJ-SFQUDFHCSA-N 0 0 382.510 4.332 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2cccc(Cl)c2)S1 ZINC000032109974 570508682 /nfs/dbraw/zinc/50/86/82/570508682.db2.gz MQOSNWHGQLHJQD-LICLKQGHSA-N 0 0 386.860 4.025 40 10 GICBRN COc1ccc(N(C)CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000224992782 570542262 /nfs/dbraw/zinc/54/22/62/570542262.db2.gz CVCBEYQXZCNOBO-UHFFFAOYSA-N 0 0 390.911 4.149 40 10 GICBRN O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1 ZINC000010113469 570566092 /nfs/dbraw/zinc/56/60/92/570566092.db2.gz VEZYCJLMNKXZKY-UHFFFAOYSA-N 0 0 379.287 4.289 40 10 GICBRN COc1ccc(N2CCN(C(=O)CCc3c(Cl)cccc3Cl)CC2)cc1 ZINC000225348496 570566261 /nfs/dbraw/zinc/56/62/61/570566261.db2.gz ONGKBUJAUPWWKU-UHFFFAOYSA-N 0 0 393.314 4.283 40 10 GICBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225695773 570604478 /nfs/dbraw/zinc/60/44/78/570604478.db2.gz YHIANWQGEJNNCH-OAHLLOKOSA-N 0 0 383.517 4.121 40 10 GICBRN CN(CCCNC(=S)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000225748215 570612934 /nfs/dbraw/zinc/61/29/34/570612934.db2.gz VZAVEGRQIGMFLV-UHFFFAOYSA-N 0 0 396.329 4.401 40 10 GICBRN C[C@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225752070 570613253 /nfs/dbraw/zinc/61/32/53/570613253.db2.gz NIDSYBYZOBCXTH-FQEVSTJZSA-N 0 0 392.543 4.288 40 10 GICBRN FC(F)(F)c1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000053535899 570674987 /nfs/dbraw/zinc/67/49/87/570674987.db2.gz DMZHGMOCDYVUQQ-UHFFFAOYSA-N 0 0 395.450 4.029 40 10 GICBRN COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000007496961 570759926 /nfs/dbraw/zinc/75/99/26/570759926.db2.gz MASFRNFEIIPUGD-IZZDOVSWSA-N 0 0 380.488 4.307 40 10 GICBRN C[C@@H]1CN([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@H](C)O1 ZINC000013060367 570820515 /nfs/dbraw/zinc/82/05/15/570820515.db2.gz AANABLUNKXOBFF-MNVSYLFESA-N 0 0 383.879 4.187 40 10 GICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000014414994 570891808 /nfs/dbraw/zinc/89/18/08/570891808.db2.gz QSSRQEGNQJCPMC-PGMHBOJBSA-N 0 0 391.467 4.001 40 10 GICBRN O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NCc1cccnc1 ZINC000017078031 570917353 /nfs/dbraw/zinc/91/73/53/570917353.db2.gz LXLOQKVDKBXGLQ-UHFFFAOYSA-N 0 0 381.888 4.453 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@H]3C=CC[C@H]32)cc1 ZINC000006965796 817730189 /nfs/dbraw/zinc/73/01/89/817730189.db2.gz HRAHXOUTRNYOAV-FVJLSDCUSA-N 0 0 377.440 4.395 40 10 GICBRN O=C1/C(=C\c2cc3c(cc2Cl)OCO3)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970974 231138488 /nfs/dbraw/zinc/13/84/88/231138488.db2.gz BVEYAAPEVDQSNH-SDQBBNPISA-N 0 0 394.736 4.417 40 10 GICBRN Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409189971 231177694 /nfs/dbraw/zinc/17/76/94/231177694.db2.gz ORFKNRWWDCSWAN-WOJGMQOQSA-N 0 0 379.847 4.174 40 10 GICBRN Cc1cc(C(=S)N2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000409204632 231179686 /nfs/dbraw/zinc/17/96/86/231179686.db2.gz CBGRDWYOXXQNQE-UHFFFAOYSA-N 0 0 383.561 4.092 40 10 GICBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409220920 231183572 /nfs/dbraw/zinc/18/35/72/231183572.db2.gz HTKKCXPKFNRAII-HMAPJEAMSA-N 0 0 385.467 4.495 40 10 GICBRN Cn1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000409333442 231190796 /nfs/dbraw/zinc/19/07/96/231190796.db2.gz TVPAEFUUOZQVRO-MFOYZWKCSA-N 0 0 395.465 4.492 40 10 GICBRN CCOc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409343862 231192621 /nfs/dbraw/zinc/19/26/21/231192621.db2.gz DQOLSNHWGOCSOB-WJDWOHSUSA-N 0 0 386.454 4.399 40 10 GICBRN CN(C)c1ccc([C@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc1 ZINC000006351438 529785698 /nfs/dbraw/zinc/78/56/98/529785698.db2.gz FKIBCVJAHVKGOY-INIZCTEOSA-N 0 0 382.514 4.188 40 10 GICBRN COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000016692809 210194228 /nfs/dbraw/zinc/19/42/28/210194228.db2.gz CQWWDDUTOPGATJ-MHWRWJLKSA-N 0 0 375.446 4.249 40 10 GICBRN CCCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)C(=O)NC1=S ZINC000016638800 210192850 /nfs/dbraw/zinc/19/28/50/210192850.db2.gz NBQUMGUNNQNSRV-ZHZULCJRSA-N 0 0 388.492 4.420 40 10 GICBRN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(Br)cc1 ZINC000014671680 210122313 /nfs/dbraw/zinc/12/23/13/210122313.db2.gz CYXMQEYBDUTEHS-ZROIWOOFSA-N 0 0 375.247 4.237 40 10 GICBRN CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001276537 212060824 /nfs/dbraw/zinc/06/08/24/212060824.db2.gz KJGIZCZRLXCZIE-XGICHPGQSA-N 0 0 390.313 4.146 40 10 GICBRN CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCCC)C2=O)cc1 ZINC000027563021 209178057 /nfs/dbraw/zinc/17/80/57/209178057.db2.gz WBWRJPMZGOFHQU-VBKFSLOCSA-N 0 0 393.530 4.020 40 10 GICBRN O=C(Cc1cccc(Br)c1)NCc1ccc(N2CCCCC2)cc1 ZINC000225617014 211910998 /nfs/dbraw/zinc/91/09/98/211910998.db2.gz OMOWSMKGDOQNNN-UHFFFAOYSA-N 0 0 387.321 4.298 40 10 GICBRN COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(c3ccccc3)C1=O)S2 ZINC000100497567 211603664 /nfs/dbraw/zinc/60/36/64/211603664.db2.gz VXOJAIVHTRFBRK-ICFOKQHNSA-N 0 0 386.523 4.471 40 10 GICBRN COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1 ZINC000005907860 220907789 /nfs/dbraw/zinc/90/77/89/220907789.db2.gz UKUHNVOJIRUYLL-LFIBNONCSA-N 0 0 387.482 4.118 40 10 GICBRN COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408752400 533240764 /nfs/dbraw/zinc/24/07/64/533240764.db2.gz IGZWTAZLECNTOI-KGENOOAVSA-N 0 0 388.398 4.374 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408892311 533267894 /nfs/dbraw/zinc/26/78/94/533267894.db2.gz HZKZWYJYRQRYJA-XNTDXEJSSA-N 0 0 389.785 4.495 40 10 GICBRN COc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000222793424 136205082 /nfs/dbraw/zinc/20/50/82/136205082.db2.gz BABMLWYFLSQEGM-GOSISDBHSA-N 0 0 382.504 4.188 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)cc2)S1 ZINC000409023404 526697279 /nfs/dbraw/zinc/69/72/79/526697279.db2.gz VEUMUPNQOMACOQ-YVLHZVERSA-N 0 0 386.860 4.025 40 10 GICBRN CC(=O)Oc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409341805 527118449 /nfs/dbraw/zinc/11/84/49/527118449.db2.gz BWVSVXNVTXTRKY-LDADJPATSA-N 0 0 398.509 4.084 40 10 GICBRN CC(NCc1ccc(F)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000112120535 527540401 /nfs/dbraw/zinc/54/04/01/527540401.db2.gz YXTDQSJDOFLMPX-PDGQHHTCSA-N 0 0 380.448 4.222 40 10 GICBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ncccc1C ZINC000112120089 528064873 /nfs/dbraw/zinc/06/48/73/528064873.db2.gz JTTZWRMUAAQJFV-JXAWBTAJSA-N 0 0 379.420 4.187 40 10 GICBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(C(=O)OC)=C1C ZINC000409013325 528944296 /nfs/dbraw/zinc/94/42/96/528944296.db2.gz MYGGFQHEVKHRDD-MOSHPQCFSA-N 0 0 392.499 4.403 40 10 GICBRN CCN1C(=O)/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S ZINC000033747546 528945829 /nfs/dbraw/zinc/94/58/29/528945829.db2.gz BFCUCAXKVNZMRB-QDEBKDIKSA-N 0 0 386.281 4.321 40 10 GICBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O ZINC000409106821 528953790 /nfs/dbraw/zinc/95/37/90/528953790.db2.gz MXNRJHSCKFIJKE-WOJGMQOQSA-N 0 0 398.484 4.245 40 10 GICBRN COc1cc(N2CCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222593887 570416097 /nfs/dbraw/zinc/41/60/97/570416097.db2.gz JASAKRMAVDZIMO-JHVJFLLYSA-N 0 0 394.544 4.280 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222793490 570426119 /nfs/dbraw/zinc/42/61/19/570426119.db2.gz MYCDXOBMPNJDJD-WOJBJXKFSA-N 0 0 391.544 4.185 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000222793292 570426215 /nfs/dbraw/zinc/42/62/15/570426215.db2.gz MYCDXOBMPNJDJD-PMACEKPBSA-N 0 0 391.544 4.185 40 10 GICBRN Cn1c(C=C2SC(Nc3cc(Cl)ccc3O)=NC2=O)nc2ccccc21 ZINC000005236005 570432101 /nfs/dbraw/zinc/43/21/01/570432101.db2.gz RGVJHWBIBOUIFL-OQLLNIDSSA-N 0 0 384.848 4.015 40 10 GICBRN O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCCC2)cc1 ZINC000028336206 570458162 /nfs/dbraw/zinc/45/81/62/570458162.db2.gz FBHASAVYHPIFLZ-UHFFFAOYSA-N 0 0 378.394 4.001 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)S1 ZINC000032109987 570508867 /nfs/dbraw/zinc/50/88/67/570508867.db2.gz HOOCPRJPDQPSDF-LICLKQGHSA-N 0 0 386.860 4.025 40 10 GICBRN O=C(N[C@@H](c1ccc2c(c1)OCO2)c1ccc2cccnc2c1O)c1ccccc1 ZINC000001204075 570563705 /nfs/dbraw/zinc/56/37/05/570563705.db2.gz IQPSMMFOEYJSBP-NRFANRHFSA-N 0 0 398.418 4.189 40 10 GICBRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225695754 570604461 /nfs/dbraw/zinc/60/44/61/570604461.db2.gz YHIANWQGEJNNCH-HNNXBMFYSA-N 0 0 383.517 4.121 40 10 GICBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1 ZINC000058856228 570648388 /nfs/dbraw/zinc/64/83/88/570648388.db2.gz FUKBVIAWVHIKAI-UHFFFAOYSA-N 0 0 397.383 4.307 40 10 GICBRN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000004959409 570648498 /nfs/dbraw/zinc/64/84/98/570648498.db2.gz SYIBZGJJUGLAAE-MDOVXXIYSA-N 0 0 382.416 4.447 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000058883962 570650141 /nfs/dbraw/zinc/65/01/41/570650141.db2.gz NJWRALUEMZZACT-YVLHZVERSA-N 0 0 398.802 4.125 40 10 GICBRN CCOc1ccccc1/C=C1\C(=O)N(Cc2ccc(C)cc2)C(C)=C1C(=O)OC ZINC000059959357 570660459 /nfs/dbraw/zinc/66/04/59/570660459.db2.gz UKHHDXDTCAXMBE-ZHZULCJRSA-N 0 0 391.467 4.267 40 10 GICBRN CCOc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(C)=C2C(=O)OC)cc1OC ZINC000006964023 570754087 /nfs/dbraw/zinc/75/40/87/570754087.db2.gz CBBOIBKIZKGEPA-AQTBWJFISA-N 0 0 399.487 4.099 40 10 GICBRN COc1ccc(N2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000017080818 570918979 /nfs/dbraw/zinc/91/89/79/570918979.db2.gz UOVIOQLGINSBEB-UHFFFAOYSA-N 0 0 395.450 4.233 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000016292294 570921146 /nfs/dbraw/zinc/92/11/46/570921146.db2.gz IHCMJLAZKGHKHD-WQRHYEAKSA-N 0 0 385.510 4.414 40 10 GICBRN CN(C)c1ccc(/C=C2/SC(=S)N(CNc3cccc(F)c3)C2=O)cc1 ZINC000003092199 817417564 /nfs/dbraw/zinc/41/75/64/817417564.db2.gz XAJFFRJVCZYZDZ-LICLKQGHSA-N 0 0 387.505 4.163 40 10 GICBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(OC)c1OC)[C@@H]1CC=C[C@H]21 ZINC000006954770 817729099 /nfs/dbraw/zinc/72/90/99/817729099.db2.gz QECQYVUFVPTCPJ-KSMMKXTCSA-N 0 0 382.416 4.447 40 10 GICBRN COc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(OC)cc3C)S2)cc1 ZINC000034706791 821062514 /nfs/dbraw/zinc/06/25/14/821062514.db2.gz UMTGWWKGVYKHNK-WQRHYEAKSA-N 0 0 384.457 4.103 40 10 GICBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000106953486 231019466 /nfs/dbraw/zinc/01/94/66/231019466.db2.gz BDMQLYKMCMGXOW-XKZIYDEJSA-N 0 0 399.519 4.481 40 10 GICBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C)c1C ZINC000408902079 231127525 /nfs/dbraw/zinc/12/75/25/231127525.db2.gz FIFUFNSQZIYKTK-XKZIYDEJSA-N 0 0 399.519 4.481 40 10 GICBRN Cc1nn(Cc2ccccc2)c(C)c1/C=C1\C(=O)N(c2ccc(F)cc2)N=C1C ZINC000408997538 231143981 /nfs/dbraw/zinc/14/39/81/231143981.db2.gz HAZPKWHMVIHPOO-LPYMAVHISA-N 0 0 388.446 4.493 40 10 GICBRN COCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O ZINC000409126141 231167145 /nfs/dbraw/zinc/16/71/45/231167145.db2.gz GYKYAMAYVLPXAQ-XMHGGMMESA-N 0 0 382.485 4.123 40 10 GICBRN O=C1N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1Cc1ccccc1F ZINC000409095439 231158815 /nfs/dbraw/zinc/15/88/15/231158815.db2.gz HQPFKNMMEBUYAV-CPNJWEJPSA-N 0 0 397.425 4.048 40 10 GICBRN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409339483 231192060 /nfs/dbraw/zinc/19/20/60/231192060.db2.gz IVIKVYTUQCUZBV-VIZOYTHASA-N 0 0 375.858 4.475 40 10 GICBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)c1 ZINC000409339874 231192542 /nfs/dbraw/zinc/19/25/42/231192542.db2.gz MFTWLBUCZCYMRS-OVCLIPMQSA-N 0 0 375.496 4.226 40 10 GICBRN CCOc1c(/N=N/c2ccccc2OC)c(-c2ccccc2)nn1C(N)=S ZINC000017140002 210205971 /nfs/dbraw/zinc/20/59/71/210205971.db2.gz AEAKZXMEWPYCGH-QURGRASLSA-N 0 0 381.461 4.465 40 10 GICBRN CC(C)(C)c1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000013669692 210076193 /nfs/dbraw/zinc/07/61/93/210076193.db2.gz FACYWIVUORREMH-UHFFFAOYSA-N 0 0 380.532 4.070 40 10 GICBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000005372148 209590246 /nfs/dbraw/zinc/59/02/46/209590246.db2.gz GRRVCHXZSICUOM-RGEXLXHISA-N 0 0 398.553 4.205 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)S1 ZINC000005851026 212066638 /nfs/dbraw/zinc/06/66/38/212066638.db2.gz YYOSLYNLDCAARF-LICLKQGHSA-N 0 0 386.860 4.025 40 10 GICBRN S=C(NCCCN1CCc2ccccc21)Nc1ccc(Br)cc1 ZINC000225558963 211906505 /nfs/dbraw/zinc/90/65/05/211906505.db2.gz HBWLHWNDJJXWQM-UHFFFAOYSA-N 0 0 390.350 4.188 40 10 GICBRN C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225402710 211894957 /nfs/dbraw/zinc/89/49/57/211894957.db2.gz TXFXIHTUYKUYAF-SJORKVTESA-N 0 0 380.488 4.185 40 10 GICBRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000225289497 211889065 /nfs/dbraw/zinc/88/90/65/211889065.db2.gz QWZFUEOUUYMYSS-SFHVURJKSA-N 0 0 378.516 4.249 40 10 GICBRN Cc1nc2ccc(F)cc2cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000019718321 210289103 /nfs/dbraw/zinc/28/91/03/210289103.db2.gz PASFMTDHHYRGFZ-OAHLLOKOSA-N 0 0 393.462 4.010 40 10 GICBRN Cc1cccc(C2(C(=O)NCc3ccc(N4CCCCC4)cc3)CCOCC2)c1 ZINC000019662266 210279366 /nfs/dbraw/zinc/27/93/66/210279366.db2.gz LVBRJRMCADFDQM-UHFFFAOYSA-N 0 0 392.543 4.350 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000408895162 533268367 /nfs/dbraw/zinc/26/83/67/533268367.db2.gz UCQOQEHSBJOPEY-ATVHPVEESA-N 0 0 398.256 4.326 40 10 GICBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000408896335 533264992 /nfs/dbraw/zinc/26/49/92/533264992.db2.gz XZODTFIJQXXBLE-HKWRFOASSA-N 0 0 393.508 4.324 40 10 GICBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409017787 533265899 /nfs/dbraw/zinc/26/58/99/533265899.db2.gz PNEBCLRHYUXLSJ-STZFKDTASA-N 0 0 391.467 4.347 40 10 GICBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1OC ZINC000408895693 533266522 /nfs/dbraw/zinc/26/65/22/533266522.db2.gz VNYVGCLTUWUXOM-ATPAHOSSSA-N 0 0 377.440 4.129 40 10 GICBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000409021663 533266679 /nfs/dbraw/zinc/26/66/79/533266679.db2.gz SCXWDDPXXBJWBJ-UNOMPAQXSA-N 0 0 392.411 4.089 40 10 GICBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)N(C)C2=O)c1C ZINC000408813161 533831745 /nfs/dbraw/zinc/83/17/45/533831745.db2.gz OMBWXFFLNHJNMA-PXNMLYILSA-N 0 0 376.865 4.422 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(C)c(C(=O)OC)ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409164757 534243769 /nfs/dbraw/zinc/24/37/69/534243769.db2.gz NKOWDBNVUZTKNG-LQWHRVPQSA-N 0 0 377.440 4.395 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409167255 534243936 /nfs/dbraw/zinc/24/39/36/534243936.db2.gz HRAHXOUTRNYOAV-LZJOCLMNSA-N 0 0 377.440 4.395 40 10 GICBRN O=C1N/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccccc1Cl ZINC000409076114 534782097 /nfs/dbraw/zinc/78/20/97/534782097.db2.gz XYDJXONQHYYYQB-PDGQHHTCSA-N 0 0 399.853 4.172 40 10 GICBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNNc1ccc(C)cc1 ZINC000408531493 528145766 /nfs/dbraw/zinc/14/57/66/528145766.db2.gz KPMMNHKUAOAQSV-BOPFTXTBSA-N 0 0 399.292 4.289 40 10 GICBRN CCCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)SC1=S ZINC000059418269 528163404 /nfs/dbraw/zinc/16/34/04/528163404.db2.gz OWBQKNBTWDOUPD-UKTHLTGXSA-N 0 0 385.352 4.126 40 10 GICBRN CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000040939870 570270494 /nfs/dbraw/zinc/27/04/94/570270494.db2.gz RZRSBJOVPKDPQQ-ATVHPVEESA-N 0 0 398.509 4.020 40 10 GICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C)cc1 ZINC000222737645 570423037 /nfs/dbraw/zinc/42/30/37/570423037.db2.gz FIBUKRWRQGBSAQ-LEWJYISDSA-N 0 0 376.529 4.400 40 10 GICBRN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1OC ZINC000005371443 570435531 /nfs/dbraw/zinc/43/55/31/570435531.db2.gz RSBMDJTYQOSRPZ-YBEGLDIGSA-N 0 0 375.471 4.088 40 10 GICBRN O=C(c1ccccc1)c1ccccc1NC[C@H](O)COc1ccc(Cl)cc1 ZINC000005582037 570447462 /nfs/dbraw/zinc/44/74/62/570447462.db2.gz GSBTWGCMIVOHLM-SFHVURJKSA-N 0 0 381.859 4.423 40 10 GICBRN COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)cc1 ZINC000408754966 570544873 /nfs/dbraw/zinc/54/48/73/570544873.db2.gz PHOVMNGZIQNQKS-RCCKNPSSSA-N 0 0 399.406 4.438 40 10 GICBRN COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000225416760 570572114 /nfs/dbraw/zinc/57/21/14/570572114.db2.gz BCHJPFKWTQONGY-UHFFFAOYSA-N 0 0 397.544 4.259 40 10 GICBRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000225663860 570599756 /nfs/dbraw/zinc/59/97/56/570599756.db2.gz APCIWBIWRSHQRE-OAHLLOKOSA-N 0 0 383.517 4.453 40 10 GICBRN CCCCNC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000012032461 570599972 /nfs/dbraw/zinc/59/99/72/570599972.db2.gz QSIPNFJIMVYNGQ-NTCAYCPXSA-N 0 0 396.965 4.238 40 10 GICBRN C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000225664493 570600071 /nfs/dbraw/zinc/60/00/71/570600071.db2.gz IKUANNYOTBAMKI-INIZCTEOSA-N 0 0 397.544 4.496 40 10 GICBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004959470 570652949 /nfs/dbraw/zinc/65/29/49/570652949.db2.gz TUVWSTBUSUXFDH-KSMMKXTCSA-N 0 0 380.400 4.217 40 10 GICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccn1 ZINC000260769296 570703334 /nfs/dbraw/zinc/70/33/34/570703334.db2.gz LJOOGVLKWLAFRE-IPHXSNPTSA-N 0 0 389.528 4.473 40 10 GICBRN CCN(CC)c1ccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 ZINC000195742501 570947628 /nfs/dbraw/zinc/94/76/28/570947628.db2.gz WPRZMTZTLXQYKZ-UHFFFAOYSA-N 0 0 390.531 4.324 40 10 GICBRN Cc1cccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 ZINC000001262933 817375699 /nfs/dbraw/zinc/37/56/99/817375699.db2.gz NKKQRGDDOHOBAI-AWTFBBCTSA-N 0 0 394.521 4.391 40 10 GICBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(C(=O)OC)=C1C ZINC000006711337 817716880 /nfs/dbraw/zinc/71/68/80/817716880.db2.gz FWWPLLNPTMANGW-MOSHPQCFSA-N 0 0 378.472 4.095 40 10 GICBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(OC)c1OC)[C@@H]1CC=C[C@H]21 ZINC000006954768 817729085 /nfs/dbraw/zinc/72/90/85/817729085.db2.gz WNDDRILSVNSXPO-QUJCMNEKSA-N 0 0 382.416 4.447 40 10 GICBRN COc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccc(Cl)cc2)C1=O ZINC000033560798 821057857 /nfs/dbraw/zinc/05/78/57/821057857.db2.gz XBKXPHNYVTYIJK-XNTDXEJSSA-N 0 0 389.885 4.390 40 10 GICBRN CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C ZINC000034718349 821062234 /nfs/dbraw/zinc/06/22/34/821062234.db2.gz MLSXTLNRHPREJW-QNGOZBTKSA-N 0 0 385.467 4.118 40 10 GICBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000408820090 231118750 /nfs/dbraw/zinc/11/87/50/231118750.db2.gz VBALPXDYUHQDDH-AUWJEWJLSA-N 0 0 377.263 4.181 40 10 GICBRN [O-]c1c(C[NH+]2CCN(c3ccccc3)CC2)cc(Br)c2cccnc12 ZINC000001707109 209336768 /nfs/dbraw/zinc/33/67/68/209336768.db2.gz CMIBCLNTDXWVDH-UHFFFAOYSA-N 0 0 398.304 4.025 40 10 in-vitro GICBRN CCOc1ccc([C@@H](NC(=O)c2cccnc2)c2ccc3cccnc3c2O)cc1 ZINC000000890438 209275661 /nfs/dbraw/zinc/27/56/61/209275661.db2.gz IHGKRRGTIZSSFX-OAQYLSRUSA-N 0 0 399.450 4.254 40 10 GICBRN COc1cccc(N2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)c1 ZINC000054361120 212058693 /nfs/dbraw/zinc/05/86/93/212058693.db2.gz PYELTXDFDOVWTE-YVLHZVERSA-N 0 0 379.466 4.044 40 10 GICBRN C[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCCC2)cc1 ZINC000225696796 211918433 /nfs/dbraw/zinc/91/84/33/211918433.db2.gz VIFGQRACBIKTRL-MRXNPFEDSA-N 0 0 396.560 4.036 40 10 GICBRN COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1C ZINC000225417048 211895155 /nfs/dbraw/zinc/89/51/55/211895155.db2.gz HWAKKGDABGKIDT-UHFFFAOYSA-N 0 0 397.544 4.259 40 10 GICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccn1 ZINC000222597985 211805027 /nfs/dbraw/zinc/80/50/27/211805027.db2.gz LJOOGVLKWLAFRE-ONGXBYRLSA-N 0 0 389.528 4.473 40 10 GICBRN COc1cc(N2CCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222593768 211804663 /nfs/dbraw/zinc/80/46/63/211804663.db2.gz JASAKRMAVDZIMO-RVHYNSKXSA-N 0 0 394.544 4.280 40 10 GICBRN Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(N(C)C)cc3)n2)cc1 ZINC000067898676 210345595 /nfs/dbraw/zinc/34/55/95/210345595.db2.gz YVNAOQUEPUIXAQ-QFIPXVFZSA-N 0 0 376.504 4.025 40 10 biogenic,in-vitro GICBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1cccc(C)c1 ZINC000408583812 533267626 /nfs/dbraw/zinc/26/76/26/533267626.db2.gz KNXUTDFCTOBVAE-NDENLUEZSA-N 0 0 375.424 4.075 40 10 GICBRN COc1ccc(Br)cc1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000409031494 533264833 /nfs/dbraw/zinc/26/48/33/533264833.db2.gz AUOATOKUJRERJJ-QPEQYQDCSA-N 0 0 386.336 4.315 40 10 GICBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000409056938 533265584 /nfs/dbraw/zinc/26/55/84/533265584.db2.gz FKTMWDQEWHCQNW-HKWRFOASSA-N 0 0 381.472 4.258 40 10 GICBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000408996918 533265858 /nfs/dbraw/zinc/26/58/58/533265858.db2.gz KLNINLRNUZOBFF-MOSHPQCFSA-N 0 0 390.483 4.252 40 10 GICBRN C[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000140015168 136193079 /nfs/dbraw/zinc/19/30/79/136193079.db2.gz WPXQIJMIRYKOAN-CQSZACIVSA-N 0 0 375.925 4.224 40 10 GICBRN COc1ccc(OC)c(C2=C/C(=C/c3cccc(Br)c3)C(=O)O2)c1 ZINC000408723019 534228151 /nfs/dbraw/zinc/22/81/51/534228151.db2.gz PNUWCNKJKBBWCX-JYRVWZFOSA-N 0 0 387.229 4.448 40 10 GICBRN CC(NCCCOC(C)C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112123662 527539472 /nfs/dbraw/zinc/53/94/72/527539472.db2.gz QXTVUNVRLTZVIZ-FXBPSFAMSA-N 0 0 395.478 4.255 40 10 GICBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCOc1ccccc1OC ZINC000103918621 528066566 /nfs/dbraw/zinc/06/65/66/528066566.db2.gz ODWIMTUVLYQKIG-XLNRJJMWSA-N 0 0 393.487 4.141 40 10 GICBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(C)=O ZINC000409328810 528196261 /nfs/dbraw/zinc/19/62/61/528196261.db2.gz BCAPDHSHJOEEIP-LDADJPATSA-N 0 0 399.493 4.416 40 10 GICBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CC4)c3C)NC2=S)cc1 ZINC000409145610 528482565 /nfs/dbraw/zinc/48/25/65/528482565.db2.gz QKPSJXOMJRQELA-UNOMPAQXSA-N 0 0 381.501 4.101 40 10 GICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C ZINC000222736973 570422938 /nfs/dbraw/zinc/42/29/38/570422938.db2.gz JCJHHDSWIRAYNZ-NHCUHLMSSA-N 0 0 376.529 4.400 40 10 GICBRN COC(=O)c1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000005371724 570435476 /nfs/dbraw/zinc/43/54/76/570435476.db2.gz DRXYUSWNRUMTBT-BOPFTXTBSA-N 0 0 383.494 4.496 40 10 GICBRN COc1ccc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Cl ZINC000008161556 570466888 /nfs/dbraw/zinc/46/68/88/570466888.db2.gz WKXAYZLMHRQYAS-KRWDZBQOSA-N 0 0 391.945 4.363 40 10 GICBRN Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000032109740 570508714 /nfs/dbraw/zinc/50/87/14/570508714.db2.gz YBJVDZDUOVLOBL-MFOYZWKCSA-N 0 0 385.445 4.447 40 10 GICBRN Cc1cccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)c1 ZINC000009189246 570551705 /nfs/dbraw/zinc/55/17/05/570551705.db2.gz GDZXWJIKTGRZAX-UYRXBGFRSA-N 0 0 397.931 4.441 40 10 GICBRN OCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1 ZINC000002446364 570589357 /nfs/dbraw/zinc/58/93/57/570589357.db2.gz ZBQINZSYAQBEJC-UHFFFAOYSA-O 0 0 376.299 4.201 40 10 GICBRN COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225695022 570604499 /nfs/dbraw/zinc/60/44/99/570604499.db2.gz ADKCYOUFXPSMCH-MRXNPFEDSA-N 0 0 397.544 4.429 40 10 GICBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1F ZINC000004230913 570622005 /nfs/dbraw/zinc/62/20/05/570622005.db2.gz BZYUITWKRFJQCP-UHFFFAOYSA-N 0 0 396.403 4.262 40 10 GICBRN COc1ccc(N2C(=O)/C(=C/c3ccc(NC(C)=O)cc3)SC2=S)cc1 ZINC000083261480 570628705 /nfs/dbraw/zinc/62/87/05/570628705.db2.gz WPGOVATZWRLZNR-BOPFTXTBSA-N 0 0 384.482 4.059 40 10 GICBRN Cc1ccc(C2=C/C(=C\c3ccc(I)o3)C(=O)O2)cc1 ZINC000083317633 570629196 /nfs/dbraw/zinc/62/91/96/570629196.db2.gz PRSUPEYWWVLNST-XYOKQWHBSA-N 0 0 378.165 4.174 40 10 GICBRN Cc1nccn1Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000044910724 570642295 /nfs/dbraw/zinc/64/22/95/570642295.db2.gz YKMXVPKBIZGXGJ-UHFFFAOYSA-N 0 0 388.515 4.160 40 10 GICBRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054283997 570677296 /nfs/dbraw/zinc/67/72/96/570677296.db2.gz NRDLLQJQIZLQQN-IBGZPJMESA-N 0 0 396.531 4.039 40 10 GICBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)cc21 ZINC000260755806 570702890 /nfs/dbraw/zinc/70/28/90/570702890.db2.gz BUGVBFJXGQUCNI-UXHICEINSA-N 0 0 378.545 4.316 40 10 GICBRN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260905923 570714108 /nfs/dbraw/zinc/71/41/08/570714108.db2.gz TXFXIHTUYKUYAF-DLBZAZTESA-N 0 0 380.488 4.185 40 10 GICBRN C[C@@H]1CN([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@@H](C)O1 ZINC000013060363 570820548 /nfs/dbraw/zinc/82/05/48/570820548.db2.gz AANABLUNKXOBFF-JZKQVHKSSA-N 0 0 383.879 4.187 40 10 GICBRN CCc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000004541613 817531026 /nfs/dbraw/zinc/53/10/26/817531026.db2.gz NEVDQYNBDHCQQG-UHFFFAOYSA-N 0 0 376.456 4.452 40 10 GICBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000409131219 231169287 /nfs/dbraw/zinc/16/92/87/231169287.db2.gz KHEIEDARKIPRCK-XDHOZWIPSA-N 0 0 384.501 4.394 40 10 GICBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000409232370 231184129 /nfs/dbraw/zinc/18/41/29/231184129.db2.gz OHVLSDLJTXAKGP-LDADJPATSA-N 0 0 388.464 4.306 40 10 GICBRN COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409231182 231184137 /nfs/dbraw/zinc/18/41/37/231184137.db2.gz IERQZVZOCXZJKT-LDADJPATSA-N 0 0 397.862 4.046 40 10 GICBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000016186347 210186762 /nfs/dbraw/zinc/18/67/62/210186762.db2.gz CVMXUXLMDYWAGG-PDGQHHTCSA-N 0 0 384.526 4.163 40 10 GICBRN CCOc1ccc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1 ZINC000005373189 209590583 /nfs/dbraw/zinc/59/05/83/209590583.db2.gz HYDJTFMVRJVMNC-PDGQHHTCSA-N 0 0 381.457 4.126 40 10 GICBRN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000225330329 211890713 /nfs/dbraw/zinc/89/07/13/211890713.db2.gz MOPXLPDMLRAXMA-UHFFFAOYSA-N 0 0 393.314 4.079 40 10 GICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1F ZINC000222738581 211809830 /nfs/dbraw/zinc/80/98/30/211809830.db2.gz VCARDRRBUMKDHQ-WOJBJXKFSA-N 0 0 380.492 4.231 40 10 GICBRN CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000000905527 211495485 /nfs/dbraw/zinc/49/54/85/211495485.db2.gz NIBVNKBZFXKHPQ-UHFFFAOYSA-N 0 0 394.500 4.259 40 10 GICBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000059435779 533265375 /nfs/dbraw/zinc/26/53/75/533265375.db2.gz RVMIWWUBQJBYOT-PDGQHHTCSA-N 0 0 397.858 4.221 40 10 GICBRN COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1OC ZINC000408972873 533387839 /nfs/dbraw/zinc/38/78/39/533387839.db2.gz WNLXPKAAKALGAA-KAMYIIQDSA-N 0 0 376.334 4.052 40 10 GICBRN C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000065222442 136160231 /nfs/dbraw/zinc/16/02/31/136160231.db2.gz RYRPOQIYANXTRT-AWEZNQCLSA-N 0 0 375.925 4.224 40 10 GICBRN C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000140011795 136193102 /nfs/dbraw/zinc/19/31/02/136193102.db2.gz RYRPOQIYANXTRT-CQSZACIVSA-N 0 0 375.925 4.224 40 10 GICBRN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCC(C)CC2)cc1 ZINC000218159925 136203651 /nfs/dbraw/zinc/20/36/51/136203651.db2.gz IBODOFXSLUNHSA-QGZVFWFLSA-N 0 0 381.476 4.251 40 10 GICBRN COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000408842157 534005793 /nfs/dbraw/zinc/00/57/93/534005793.db2.gz MYNILUOVFAZSSJ-HMMYKYKNSA-N 0 0 399.406 4.438 40 10 GICBRN COc1ccc(OC)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c1 ZINC000409054303 534223949 /nfs/dbraw/zinc/22/39/49/534223949.db2.gz ULYPPURJZFIFRK-WQRHYEAKSA-N 0 0 385.510 4.414 40 10 GICBRN CC(=O)Oc1c(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000408743689 527117814 /nfs/dbraw/zinc/11/78/14/527117814.db2.gz UJNHNFZDHIMLKM-CHHVJCJISA-N 0 0 399.786 4.463 40 10 GICBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1ccc(F)cc1 ZINC000103917514 528065615 /nfs/dbraw/zinc/06/56/15/528065615.db2.gz DOQCSQKPMPGAEI-JWGURIENSA-N 0 0 395.478 4.443 40 10 GICBRN CCCN1C(=O)/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S ZINC000409333487 528163798 /nfs/dbraw/zinc/16/37/98/528163798.db2.gz TZSKMMVXWPRZLW-WJDWOHSUSA-N 0 0 387.486 4.056 40 10 GICBRN CCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)cc1 ZINC000408973816 528369634 /nfs/dbraw/zinc/36/96/34/528369634.db2.gz BYIXOXFDARXWDP-PGMHBOJBSA-N 0 0 391.467 4.001 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000408770117 528615440 /nfs/dbraw/zinc/61/54/40/528615440.db2.gz SXKLFZFFEXKCEB-PDGQHHTCSA-N 0 0 383.831 4.313 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000100208192 528615846 /nfs/dbraw/zinc/61/58/46/528615846.db2.gz NZPHIIAWPQQLKR-UYRXBGFRSA-N 0 0 392.411 4.171 40 10 GICBRN CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)SC1=S ZINC000409379341 528943373 /nfs/dbraw/zinc/94/33/73/528943373.db2.gz WIHMOCZZNTZELU-YBEGLDIGSA-N 0 0 387.482 4.263 40 10 GICBRN CCCOc1ccc(C=C2C(=O)N(c3ccc(C(C)=O)cc3)N=C2C)cc1OC ZINC000004839112 570409997 /nfs/dbraw/zinc/40/99/97/570409997.db2.gz QFWAAMQXZPMRIR-MOSHPQCFSA-N 0 0 392.455 4.493 40 10 GICBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222741996 570423474 /nfs/dbraw/zinc/42/34/74/570423474.db2.gz UORRXZDPNAUHOR-SFTDATJTSA-N 0 0 392.528 4.100 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000222793126 570426094 /nfs/dbraw/zinc/42/60/94/570426094.db2.gz OJCIRLSYHPQXBF-LEWJYISDSA-N 0 0 391.544 4.185 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000222793192 570426295 /nfs/dbraw/zinc/42/62/95/570426295.db2.gz OJCIRLSYHPQXBF-NHCUHLMSSA-N 0 0 391.544 4.185 40 10 GICBRN COc1ccc(OC)c(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1 ZINC000005371380 570435467 /nfs/dbraw/zinc/43/54/67/570435467.db2.gz PPSYSROMLBSNEP-WQRHYEAKSA-N 0 0 399.493 4.312 40 10 GICBRN CCOc1ccccc1NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000005374777 570436330 /nfs/dbraw/zinc/43/63/30/570436330.db2.gz HVWBUSHUTJZMFW-SFQUDFHCSA-N 0 0 398.509 4.169 40 10 GICBRN Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(O)cc2)c1 ZINC000408759556 570469237 /nfs/dbraw/zinc/46/92/37/570469237.db2.gz HAOZNVMQGZIJNJ-UDWIEESQSA-N 0 0 398.418 4.264 40 10 GICBRN COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260466522 570494247 /nfs/dbraw/zinc/49/42/47/570494247.db2.gz TZOFTBAJPOCNAW-DLBZAZTESA-N 0 0 382.504 4.431 40 10 GICBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@H]21 ZINC000000871787 570502552 /nfs/dbraw/zinc/50/25/52/570502552.db2.gz PHGUIQBXOQJKPJ-SQGPQFPESA-N 0 0 377.440 4.476 40 10 GICBRN Cc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 ZINC000009187973 570550815 /nfs/dbraw/zinc/55/08/15/570550815.db2.gz NYOZDFPLYWIODQ-UYRXBGFRSA-N 0 0 397.931 4.441 40 10 GICBRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCCC2)cc1 ZINC000010113672 570566035 /nfs/dbraw/zinc/56/60/35/570566035.db2.gz GDCPMJKPKYOZKE-UHFFFAOYSA-N 0 0 399.343 4.213 40 10 GICBRN O=C1N=C(N2CCCCC2)S/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000036624778 570566115 /nfs/dbraw/zinc/56/61/15/570566115.db2.gz LDLWTAHQECXGMH-OVCLIPMQSA-N 0 0 390.306 4.387 40 10 GICBRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1F ZINC000225608316 570593293 /nfs/dbraw/zinc/59/32/93/570593293.db2.gz XQLVQHIHCFUYDR-INIZCTEOSA-N 0 0 376.497 4.164 40 10 GICBRN CCN(CCNC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)cc1 ZINC000225793134 570618125 /nfs/dbraw/zinc/61/81/25/570618125.db2.gz QNCZOISEBYKTJP-UHFFFAOYSA-N 0 0 377.941 4.470 40 10 GICBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1F ZINC000058866217 570648653 /nfs/dbraw/zinc/64/86/53/570648653.db2.gz IYSPOLXZRZWSLX-UHFFFAOYSA-N 0 0 382.387 4.158 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000058883860 570650280 /nfs/dbraw/zinc/65/02/80/570650280.db2.gz SOIOMVSQVUVIGH-PDGQHHTCSA-N 0 0 383.831 4.226 40 10 GICBRN CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)SC1=S ZINC000059254474 570653040 /nfs/dbraw/zinc/65/30/40/570653040.db2.gz HRLZTQBQIOJZKM-ATVHPVEESA-N 0 0 399.493 4.136 40 10 GICBRN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccccc1 ZINC000059514491 570660108 /nfs/dbraw/zinc/66/01/08/570660108.db2.gz QESWIGIQUGXTNN-SFQUDFHCSA-N 0 0 399.493 4.136 40 10 GICBRN COc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260766116 570704326 /nfs/dbraw/zinc/70/43/26/570704326.db2.gz JASAKRMAVDZIMO-IPHXSNPTSA-N 0 0 394.544 4.280 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccs1 ZINC000006348357 570741217 /nfs/dbraw/zinc/74/12/17/570741217.db2.gz OELFBUQSDRLEHW-LCYFTJDESA-N 0 0 377.824 4.418 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)C(C(=O)OC)=C2C)cc1 ZINC000006962901 570754147 /nfs/dbraw/zinc/75/41/47/570754147.db2.gz LOYXVQXVWBVFAT-UYRXBGFRSA-N 0 0 381.403 4.102 40 10 GICBRN O=C1c2cc(Br)sc2C(=O)c2cc(Br)sc21 ZINC000088367179 570930343 /nfs/dbraw/zinc/93/03/43/570930343.db2.gz SHUYYKQUFOHRKK-UHFFFAOYSA-N 0 0 378.066 4.110 40 10 GICBRN CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 ZINC000007378551 817827549 /nfs/dbraw/zinc/82/75/49/817827549.db2.gz GWKLPPFGGPQELQ-UHFFFAOYSA-N 0 0 390.439 4.092 40 10 GICBRN Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409193651 231177456 /nfs/dbraw/zinc/17/74/56/231177456.db2.gz KHNKIANODLCUKA-WOJGMQOQSA-N 0 0 379.847 4.174 40 10 GICBRN CN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N(c2ccccc2)C1=O ZINC000408855108 530039746 /nfs/dbraw/zinc/03/97/46/530039746.db2.gz DLLNQFSZBAERGS-QGOAFFKASA-N 0 0 390.370 4.094 40 10 GICBRN COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c1 ZINC000001246590 209317736 /nfs/dbraw/zinc/31/77/36/209317736.db2.gz HLOJATBPQCIBJA-MHWRWJLKSA-N 0 0 375.446 4.249 40 10 GICBRN CC(=O)c1cccc(N2C(=O)C(=Cc3cnc4ccccc4n3)SC2=S)c1 ZINC000054361190 212059615 /nfs/dbraw/zinc/05/96/15/212059615.db2.gz FJNBXRNCWJSSGP-ZDLGFXPLSA-N 0 0 391.477 4.238 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(CCc3nc4ccccc4o3)C2=O)cc1 ZINC000054360585 212058404 /nfs/dbraw/zinc/05/84/04/212058404.db2.gz LPCIYWUXKFAFQL-ATVHPVEESA-N 0 0 396.493 4.280 40 10 GICBRN CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1 ZINC000027563064 209178085 /nfs/dbraw/zinc/17/80/85/209178085.db2.gz UNZOARWYGWUSPL-WJDWOHSUSA-N 0 0 393.530 4.018 40 10 GICBRN CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000225417645 211895393 /nfs/dbraw/zinc/89/53/93/211895393.db2.gz JXBOGKSWNSTZJR-UHFFFAOYSA-N 0 0 397.544 4.340 40 10 GICBRN C[C@@H]1CCCN(c2ccc(CNC(=O)COc3ccc4c(c3)CCCC4)cc2)C1 ZINC000225373862 211892562 /nfs/dbraw/zinc/89/25/62/211892562.db2.gz UCXFOZQIFUZBJE-LJQANCHMSA-N 0 0 392.543 4.497 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000222793644 211811489 /nfs/dbraw/zinc/81/14/89/211811489.db2.gz WWFOSLCJMTXXTL-RTWAWAEBSA-N 0 0 391.544 4.185 40 10 GICBRN COc1ccc(-c2cnc(SCC(=O)NCC(C)C)n2Cc2ccco2)cc1 ZINC000001355665 211507256 /nfs/dbraw/zinc/50/72/56/211507256.db2.gz HBMLZXQFNCILEX-UHFFFAOYSA-N 0 0 399.516 4.064 40 10 GICBRN Cc1c(C)c(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2SCCN21 ZINC000068561797 211033735 /nfs/dbraw/zinc/03/37/35/211033735.db2.gz MHARJESMGJTFOU-NHCUHLMSSA-N 0 0 378.545 4.499 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(F)c1 ZINC000409385180 533268830 /nfs/dbraw/zinc/26/88/30/533268830.db2.gz GKZMAPHLZZQGMK-WQRHYEAKSA-N 0 0 383.444 4.425 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000006348252 533267816 /nfs/dbraw/zinc/26/78/16/533267816.db2.gz OMLJOTVUQUGFJI-DHDCSXOGSA-N 0 0 389.785 4.495 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408893304 533268315 /nfs/dbraw/zinc/26/83/15/533268315.db2.gz LYZNXBFFIQQYFW-ZHZULCJRSA-N 0 0 385.419 4.423 40 10 GICBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000409057995 533265665 /nfs/dbraw/zinc/26/56/65/533265665.db2.gz QYUZHKFTFJWPNI-ZDLGFXPLSA-N 0 0 398.890 4.358 40 10 GICBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409053703 533265908 /nfs/dbraw/zinc/26/59/08/533265908.db2.gz HEEQIYPJKNHAEP-PDGQHHTCSA-N 0 0 396.462 4.314 40 10 GICBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408979898 533266741 /nfs/dbraw/zinc/26/67/41/533266741.db2.gz SXXXVYJJNYAMLG-UNOMPAQXSA-N 0 0 389.407 4.011 40 10 GICBRN Fc1ccccc1CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1 ZINC000013568997 136201189 /nfs/dbraw/zinc/20/11/89/136201189.db2.gz AZBXMFAAUKWZCV-UHFFFAOYSA-N 0 0 391.490 4.260 40 10 GICBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)cc21 ZINC000222726770 136204902 /nfs/dbraw/zinc/20/49/02/136204902.db2.gz BUGVBFJXGQUCNI-WOJBJXKFSA-N 0 0 378.545 4.316 40 10 GICBRN O=C1[C@H](Cc2ccc3c(c2)OCO3)SC(=S)N1CCC1CCCCC1 ZINC000409149555 534838932 /nfs/dbraw/zinc/83/89/32/534838932.db2.gz JRUUXURWSLTRPX-KRWDZBQOSA-N 0 0 377.531 4.157 40 10 GICBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1cccnc1 ZINC000112123012 528066675 /nfs/dbraw/zinc/06/66/75/528066675.db2.gz MOQSUACJZQSYAN-RGEXLXHISA-N 0 0 391.500 4.258 40 10 GICBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1ccc(O)cc1 ZINC000408527236 528146006 /nfs/dbraw/zinc/14/60/06/528146006.db2.gz DAWIVSKMKHEZAB-YBEGLDIGSA-N 0 0 386.249 4.182 40 10 GICBRN CCCCCCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC ZINC000408540544 528147360 /nfs/dbraw/zinc/14/73/60/528147360.db2.gz TVJFRDIHFWCBAC-QGOAFFKASA-N 0 0 390.505 4.151 40 10 GICBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O ZINC000409233817 528174128 /nfs/dbraw/zinc/17/41/28/528174128.db2.gz HSWIAHOLPHQINV-RCCKNPSSSA-N 0 0 394.519 4.243 40 10 GICBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OC ZINC000408969565 528196004 /nfs/dbraw/zinc/19/60/04/528196004.db2.gz QDVKPXFGVYOJBC-PTNGSMBKSA-N 0 0 390.361 4.442 40 10 GICBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC)C3=O)c2C)cc1 ZINC000409091525 528196477 /nfs/dbraw/zinc/19/64/77/528196477.db2.gz UYMRHTBNIAINSH-LDADJPATSA-N 0 0 398.484 4.327 40 10 GICBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)SC1=S ZINC000409375668 528943768 /nfs/dbraw/zinc/94/37/68/528943768.db2.gz NRUDBRSHCVAVPM-PDGQHHTCSA-N 0 0 385.558 4.381 40 10 GICBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C(C(=O)OC)=C1C ZINC000409020226 528944823 /nfs/dbraw/zinc/94/48/23/528944823.db2.gz MUVUMWQNHYVHHT-MOSHPQCFSA-N 0 0 392.499 4.403 40 10 GICBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O ZINC000409098922 529349918 /nfs/dbraw/zinc/34/99/18/529349918.db2.gz RJKJTUGTBULLLE-VBEHJTROSA-N 0 0 390.505 4.139 40 10 GICBRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000217949078 536676332 /nfs/dbraw/zinc/67/63/32/536676332.db2.gz QWVYEJVLTYPCPT-VGOFMYFVSA-N 0 0 378.516 4.355 40 10 GICBRN COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000022517520 570319547 /nfs/dbraw/zinc/31/95/47/570319547.db2.gz JABBFGLDUGPQIS-QGZVFWFLSA-N 0 0 384.545 4.483 40 10 GICBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(F)c2)S1 ZINC000222593267 570415688 /nfs/dbraw/zinc/41/56/88/570415688.db2.gz UBXFJOUWZFLNCY-XMCHAPAWSA-N 0 0 382.508 4.410 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000222786378 570425853 /nfs/dbraw/zinc/42/58/53/570425853.db2.gz QCGNBJODABRYJH-RTWAWAEBSA-N 0 0 392.528 4.187 40 10 GICBRN CC(C)(C)NC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005370934 570435156 /nfs/dbraw/zinc/43/51/56/570435156.db2.gz FQAIHYBJXRCCCK-LRPPNIKISA-N 0 0 388.558 4.139 40 10 GICBRN COc1ccc(OC)c(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c1 ZINC000005371382 570435494 /nfs/dbraw/zinc/43/54/94/570435494.db2.gz LFARXRUZMWNKMT-WQRHYEAKSA-N 0 0 399.493 4.312 40 10 GICBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\C=C\c1ccccc1 ZINC000005373144 570435661 /nfs/dbraw/zinc/43/56/61/570435661.db2.gz HPJQQGLUPFPBGR-LRFQPHQISA-N 0 0 393.487 4.174 40 10 GICBRN COc1cccc(/C=C2/SC(=S)N(C(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000005514590 570444044 /nfs/dbraw/zinc/44/40/44/570444044.db2.gz DWZTXDWYGPAAOS-XNTDXEJSSA-N 0 0 389.885 4.390 40 10 GICBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000005551905 570445485 /nfs/dbraw/zinc/44/54/85/570445485.db2.gz ORSKYFYBRCYPNS-YBEGLDIGSA-N 0 0 384.438 4.203 40 10 GICBRN CC(C)c1nnc(CCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)o1 ZINC000036752390 570570002 /nfs/dbraw/zinc/57/00/02/570570002.db2.gz WRKVZIPILDIGIY-KRWDZBQOSA-N 0 0 384.524 4.239 40 10 GICBRN O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccccc1Cl ZINC000012032497 570599989 /nfs/dbraw/zinc/59/99/89/570599989.db2.gz YNKIDOIXJGVBFJ-NTEUORMPSA-N 0 0 392.864 4.025 40 10 GICBRN CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000004714282 570636674 /nfs/dbraw/zinc/63/66/74/570636674.db2.gz FUAZUFQPYBCLPY-SSZFMOIBSA-N 0 0 393.530 4.020 40 10 GICBRN COc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260622222 570670858 /nfs/dbraw/zinc/67/08/58/570670858.db2.gz RXUBOCRQFCAMKE-ROUUACIJSA-N 0 0 382.504 4.188 40 10 GICBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)c(F)c2)S1 ZINC000260781620 570706059 /nfs/dbraw/zinc/70/60/59/570706059.db2.gz UBXFJOUWZFLNCY-VOBQZIQPSA-N 0 0 382.508 4.410 40 10 GICBRN O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(N2CCCCC2)cc1 ZINC000010113269 570782350 /nfs/dbraw/zinc/78/23/50/570782350.db2.gz HILSIWSYPQHBRE-UHFFFAOYSA-N 0 0 396.915 4.089 40 10 GICBRN Cc1ccc(CN2C(=O)N/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 ZINC000033793707 821060426 /nfs/dbraw/zinc/06/04/26/821060426.db2.gz BLOVKBFTCDJEMC-MOSHPQCFSA-N 0 0 393.462 4.136 40 10 GICBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000222781977 222614320 /nfs/dbraw/zinc/61/43/20/222614320.db2.gz APGOAGLBNPYBLT-NHCUHLMSSA-N 0 0 376.529 4.482 40 10 GICBRN O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422916 231021709 /nfs/dbraw/zinc/02/17/09/231021709.db2.gz WLNAZPWUQYMHOA-RQZCQDPDSA-N 0 0 398.553 4.135 40 10 GICBRN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CNc1cccc([N+](=O)[O-])c1 ZINC000408822343 231119429 /nfs/dbraw/zinc/11/94/29/231119429.db2.gz LUWMLBJCBCXKOU-OVCLIPMQSA-N 0 0 389.433 4.005 40 10 GICBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000409125841 231167046 /nfs/dbraw/zinc/16/70/46/231167046.db2.gz GBGJRUUPLGUJOO-XDHOZWIPSA-N 0 0 384.501 4.394 40 10 GICBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccc1 ZINC000409069708 231154053 /nfs/dbraw/zinc/15/40/53/231154053.db2.gz VLOAVJUXBYMCSN-BKUYFWCQSA-N 0 0 389.430 4.326 40 10 GICBRN Cc1ccc(C(=O)C(=O)c2ccccc2I)c(Cl)c1 ZINC000409199656 231178005 /nfs/dbraw/zinc/17/80/05/231178005.db2.gz PXDZFXUISBLJDF-UHFFFAOYSA-N 0 0 384.600 4.319 40 10 GICBRN CCc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)cc1 ZINC000409056862 529584684 /nfs/dbraw/zinc/58/46/84/529584684.db2.gz OTVGFWWNQNBBLH-PGMHBOJBSA-N 0 0 375.468 4.164 40 10 GICBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O ZINC000409018363 529695564 /nfs/dbraw/zinc/69/55/64/529695564.db2.gz WORBHFTYHCNUTA-HWQJWEFDSA-N 0 0 397.500 4.028 40 10 GICBRN CCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1OCC ZINC000225064395 222667974 /nfs/dbraw/zinc/66/79/74/222667974.db2.gz QNAILDQDHBKFBP-UHFFFAOYSA-N 0 0 382.504 4.404 40 10 GICBRN COc1ccc(N2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000225325404 222674475 /nfs/dbraw/zinc/67/44/75/222674475.db2.gz OHGJSCFVCRJEGA-UHFFFAOYSA-N 0 0 393.314 4.283 40 10 GICBRN COc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(OC)c1 ZINC000225689985 222690549 /nfs/dbraw/zinc/69/05/49/222690549.db2.gz QDYWMCMXNONWKV-MRXNPFEDSA-N 0 0 399.560 4.427 40 10 GICBRN COc1ccc(NC(=S)NCCCN(C)c2ccccc2)c2cccnc12 ZINC000225749354 222694418 /nfs/dbraw/zinc/69/44/18/222694418.db2.gz LZPSPHQOSFFWGM-UHFFFAOYSA-N 0 0 380.517 4.056 40 10 GICBRN Cc1ccc(S(=O)(=O)c2cc(O)c(O)c3ccc(Br)cc32)cc1 ZINC000001593880 212250281 /nfs/dbraw/zinc/25/02/81/212250281.db2.gz UGTJROJPZPWRTB-UHFFFAOYSA-N 0 0 393.258 4.155 40 10 GICBRN COc1cc2c(cc1/C=C1\SC(=S)N(Cc3ccc(C)cc3)C1=O)OCO2 ZINC000409055174 533152686 /nfs/dbraw/zinc/15/26/86/533152686.db2.gz WWMRMWIQOIRGJL-LSCVHKIXSA-N 0 0 399.493 4.134 40 10 GICBRN COc1cccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c1OC ZINC000005371343 220860875 /nfs/dbraw/zinc/86/08/75/220860875.db2.gz ADOZOQIKVNGYSF-BOPFTXTBSA-N 0 0 399.493 4.312 40 10 GICBRN Cc1ccc(C)n1-c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000015231067 221333672 /nfs/dbraw/zinc/33/36/72/221333672.db2.gz LSYDLTMRJLITLD-UHFFFAOYSA-N 0 0 381.344 4.130 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccco1 ZINC000408978913 533267756 /nfs/dbraw/zinc/26/77/56/533267756.db2.gz ONPRTUZRGSAIBL-LCYFTJDESA-N 0 0 378.211 4.464 40 10 GICBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000059435780 533265898 /nfs/dbraw/zinc/26/58/98/533265898.db2.gz JQWMHPGVNZQZDF-UNOMPAQXSA-N 0 0 397.858 4.221 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(O)c1 ZINC000409016858 533266571 /nfs/dbraw/zinc/26/65/71/533266571.db2.gz KIIAXYSKNPLOEI-YVLHZVERSA-N 0 0 383.831 4.231 40 10 GICBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(C)cc1C ZINC000112123575 533320405 /nfs/dbraw/zinc/32/04/05/533320405.db2.gz SYIJMYRSBUZCAA-QNGOZBTKSA-N 0 0 395.434 4.094 40 10 GICBRN COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC ZINC000217879800 136203407 /nfs/dbraw/zinc/20/34/07/136203407.db2.gz SAFIEBZLHUHODZ-IAGOWNOFSA-N 0 0 382.504 4.431 40 10 GICBRN CN(C)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000067898548 222167215 /nfs/dbraw/zinc/16/72/15/222167215.db2.gz ZZKAGVJWIFCSFY-NRFANRHFSA-N 0 0 396.922 4.370 40 10 biogenic,in-vitro GICBRN COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(O)cc1 ZINC000408839980 534001763 /nfs/dbraw/zinc/00/17/63/534001763.db2.gz BYSWPSPOASXJJS-XSFVSMFZSA-N 0 0 388.398 4.374 40 10 GICBRN COc1ccc(N2N=C(C)C(=C(C)NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000103916370 534020200 /nfs/dbraw/zinc/02/02/00/534020200.db2.gz OPOFDDXUGIVPHV-ZHZULCJRSA-N 0 0 383.879 4.177 40 10 GICBRN COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409167258 534244137 /nfs/dbraw/zinc/24/41/37/534244137.db2.gz HRAHXOUTRNYOAV-WWMYMODYSA-N 0 0 377.440 4.395 40 10 GICBRN CC(NCCc1c[nH]c2ccc(F)cc12)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000103916898 527540255 /nfs/dbraw/zinc/54/02/55/527540255.db2.gz KCEUNLSBBQGXGH-BKUYFWCQSA-N 0 0 394.425 4.275 40 10 GICBRN CC1(C)Cc2ccccc2C(=C(N=Nc2ccc(Br)cc2)C(N)=O)N1 ZINC000101078092 527778816 /nfs/dbraw/zinc/77/88/16/527778816.db2.gz BNBOUMIJPUPSKC-IFNFSJRCSA-N 0 0 399.292 4.311 40 10 GICBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1ccccc1 ZINC000103917911 528065506 /nfs/dbraw/zinc/06/55/06/528065506.db2.gz YWQLCSIOWNLLCG-XLNRJJMWSA-N 0 0 377.488 4.304 40 10 GICBRN CC(C)COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1Br ZINC000408602493 528143363 /nfs/dbraw/zinc/14/33/63/528143363.db2.gz OULGUKIPDOUAMW-QPEQYQDCSA-N 0 0 386.336 4.315 40 10 GICBRN CCCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112120175 528450436 /nfs/dbraw/zinc/45/04/36/528450436.db2.gz WOSQLQVDKPFTGD-CYVLTUHYSA-N 0 0 378.432 4.009 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000409002641 528615704 /nfs/dbraw/zinc/61/57/04/528615704.db2.gz VVKZXAZQURMYSM-PDGQHHTCSA-N 0 0 383.831 4.313 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000409001344 528615717 /nfs/dbraw/zinc/61/57/17/528615717.db2.gz PGPGTHJPTXKGMQ-QNGOZBTKSA-N 0 0 390.483 4.328 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCC)c1O ZINC000014406568 528616935 /nfs/dbraw/zinc/61/69/35/528616935.db2.gz LSLVVKLIDPTUDI-JXAWBTAJSA-N 0 0 393.439 4.058 40 10 GICBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O ZINC000409244194 528952633 /nfs/dbraw/zinc/95/26/33/528952633.db2.gz ZFEQMBHNURZORA-NTEUORMPSA-N 0 0 378.259 4.314 40 10 GICBRN Cc1ccsc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000040940296 570270411 /nfs/dbraw/zinc/27/04/11/570270411.db2.gz WFXIPSWMEOTVHN-MDWZMJQESA-N 0 0 394.930 4.256 40 10 GICBRN CCc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 ZINC000035128699 570309712 /nfs/dbraw/zinc/30/97/12/570309712.db2.gz KKBGBCKOAXEGQJ-JCMHNJIXSA-N 0 0 385.467 4.118 40 10 GICBRN CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=C(C(=O)[O-])C=CC2=O)cc1 ZINC000004769353 570404660 /nfs/dbraw/zinc/40/46/60/570404660.db2.gz NMVWROTXXTUHJG-QURGRASLSA-N 0 0 385.420 4.004 40 10 GICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(F)cc1 ZINC000222739253 570423183 /nfs/dbraw/zinc/42/31/83/570423183.db2.gz XPEBNOMWYCKQBR-PMACEKPBSA-N 0 0 380.492 4.231 40 10 GICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1F ZINC000222738639 570423189 /nfs/dbraw/zinc/42/31/89/570423189.db2.gz VCARDRRBUMKDHQ-UXHICEINSA-N 0 0 380.492 4.231 40 10 GICBRN COc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c(OC)c1 ZINC000005371353 570435378 /nfs/dbraw/zinc/43/53/78/570435378.db2.gz WTIFENGNFZICJM-ZDLGFXPLSA-N 0 0 399.493 4.312 40 10 GICBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OC)SC2=S)c(OC)c1 ZINC000005371288 570435401 /nfs/dbraw/zinc/43/54/01/570435401.db2.gz SKNRKLGPNUZPDA-YVLHZVERSA-N 0 0 387.482 4.118 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000005465371 570440694 /nfs/dbraw/zinc/44/06/94/570440694.db2.gz FIWQBRFBSBGDQX-PTNGSMBKSA-N 0 0 398.802 4.125 40 10 GICBRN Cc1cccc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c1 ZINC000005552689 570445734 /nfs/dbraw/zinc/44/57/34/570445734.db2.gz YXDZOBGGJBIPEP-YVLHZVERSA-N 0 0 393.493 4.023 40 10 GICBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC000223407065 570464405 /nfs/dbraw/zinc/46/44/05/570464405.db2.gz UFUFBAXUYIYWKI-UHFFFAOYSA-N 0 0 398.528 4.173 40 10 GICBRN COc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)c([N+](=O)[O-])cc1OC ZINC000000832821 570486627 /nfs/dbraw/zinc/48/66/27/570486627.db2.gz OLRFFRGCBBZJLO-RQZCQDPDSA-N 0 0 395.415 4.035 40 10 GICBRN O=C(Oc1ccc(/C=C2/SC(=S)NC2=O)cc1)c1ccc(Cl)cc1 ZINC000002765467 570512834 /nfs/dbraw/zinc/51/28/34/570512834.db2.gz HCCXIFGPEYFABP-NTEUORMPSA-N 0 0 375.858 4.048 40 10 GICBRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1F ZINC000225608388 570593216 /nfs/dbraw/zinc/59/32/16/570593216.db2.gz MNGVITWVTZQGEM-WBVHZDCISA-N 0 0 390.524 4.410 40 10 GICBRN CCN(CCCNC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(C)cc1 ZINC000225733723 570610504 /nfs/dbraw/zinc/61/05/04/570610504.db2.gz LUKGQGWHNUGUBM-UHFFFAOYSA-N 0 0 399.560 4.293 40 10 GICBRN Cc1ccc(N(C)CCNC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000225796042 570618164 /nfs/dbraw/zinc/61/81/64/570618164.db2.gz RPXYAALFSXXBAE-UHFFFAOYSA-N 0 0 396.329 4.319 40 10 GICBRN C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000225837881 570624404 /nfs/dbraw/zinc/62/44/04/570624404.db2.gz FVDPLTBBYSISII-CQSZACIVSA-N 0 0 375.925 4.224 40 10 GICBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(Br)c2)SC1=S ZINC000033648270 570646375 /nfs/dbraw/zinc/64/63/75/570646375.db2.gz UPJPYZAHZRAUFF-POHAHGRESA-N 0 0 392.727 4.332 40 10 GICBRN COC(=O)c1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004959468 570652958 /nfs/dbraw/zinc/65/29/58/570652958.db2.gz TUVWSTBUSUXFDH-IQUTYRLHSA-N 0 0 380.400 4.217 40 10 GICBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OC ZINC000408936430 570687331 /nfs/dbraw/zinc/68/73/31/570687331.db2.gz GJDASXHCJWIYAZ-MHWRWJLKSA-N 0 0 398.846 4.189 40 10 GICBRN Cc1ccc(N2NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1 ZINC000000842301 570710045 /nfs/dbraw/zinc/71/00/45/570710045.db2.gz DRSFQSBWSMRAPN-RCCKNPSSSA-N 0 0 384.435 4.035 40 10 GICBRN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000004959452 570730353 /nfs/dbraw/zinc/73/03/53/570730353.db2.gz MBTPSYGHODMTSU-WFXMLNOXSA-N 0 0 377.440 4.476 40 10 GICBRN Cc1ccccc1NC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000001268817 817375733 /nfs/dbraw/zinc/37/57/33/817375733.db2.gz PAPJCGIRHOMPJY-KHFJBXOGSA-N 0 0 394.521 4.391 40 10 GICBRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(F)c2)S1 ZINC000222593206 222610223 /nfs/dbraw/zinc/61/02/23/222610223.db2.gz UBXFJOUWZFLNCY-GKCIPKSASA-N 0 0 382.508 4.410 40 10 GICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C ZINC000222737038 222612901 /nfs/dbraw/zinc/61/29/01/222612901.db2.gz JCJHHDSWIRAYNZ-RTWAWAEBSA-N 0 0 376.529 4.400 40 10 GICBRN Cc1cc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)cc([N+](=O)[O-])c1C ZINC000058866155 230941210 /nfs/dbraw/zinc/94/12/10/230941210.db2.gz IEXTXLTWRKIYBF-UHFFFAOYSA-N 0 0 397.383 4.225 40 10 GICBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1 ZINC000058865549 230941308 /nfs/dbraw/zinc/94/13/08/230941308.db2.gz SWNONUDKLHMJPH-UHFFFAOYSA-N 0 0 397.383 4.307 40 10 GICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccn1 ZINC000222818879 222615761 /nfs/dbraw/zinc/61/57/61/222615761.db2.gz QAYQIEQAZBAKGW-NHCUHLMSSA-N 0 0 391.544 4.265 40 10 GICBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C)c1 ZINC000106953511 231019597 /nfs/dbraw/zinc/01/95/97/231019597.db2.gz HOXLSJRIZWXBAR-BKUYFWCQSA-N 0 0 385.492 4.173 40 10 GICBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408814981 231117617 /nfs/dbraw/zinc/11/76/17/231117617.db2.gz SRIRFKFMPNFHLE-CHHVJCJISA-N 0 0 391.836 4.322 40 10 GICBRN Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(O)cc2)cc1 ZINC000408848681 231121897 /nfs/dbraw/zinc/12/18/97/231121897.db2.gz XSEDFVUGZAAROT-XSFVSMFZSA-N 0 0 399.406 4.443 40 10 GICBRN O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1cccc(F)c1 ZINC000409383079 231198229 /nfs/dbraw/zinc/19/82/29/231198229.db2.gz ZBNAEUHWRWMLPR-LZYBPNLTSA-N 0 0 383.425 4.338 40 10 GICBRN O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409338683 231191644 /nfs/dbraw/zinc/19/16/44/231191644.db2.gz OILRFFBXFRHMBY-ZSOIEALJSA-N 0 0 392.845 4.360 40 10 GICBRN CCc1ccccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C ZINC000104645489 529558759 /nfs/dbraw/zinc/55/87/59/529558759.db2.gz LOEWZPHDACAWKX-HMAPJEAMSA-N 0 0 399.519 4.427 40 10 GICBRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCC2)cc1 ZINC000225695166 222691771 /nfs/dbraw/zinc/69/17/71/222691771.db2.gz NSKBBJNHDIEJNO-OAHLLOKOSA-N 0 0 383.517 4.106 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000001441460 212245084 /nfs/dbraw/zinc/24/50/84/212245084.db2.gz OSQHCAZVUMCCGA-AQTBWJFISA-N 0 0 385.510 4.148 40 10 GICBRN CCc1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1 ZINC000009189281 221073695 /nfs/dbraw/zinc/07/36/95/221073695.db2.gz CFWUJBJHCROKMU-HKWRFOASSA-N 0 0 395.503 4.181 40 10 GICBRN O=C(NCc1ccc(N2CCOCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000010113309 221097690 /nfs/dbraw/zinc/09/76/90/221097690.db2.gz DLUCLECVIRLQAG-NCELDCMTSA-N 0 0 398.506 4.380 40 10 GICBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1 ZINC000017373757 221383641 /nfs/dbraw/zinc/38/36/41/221383641.db2.gz UFBGVEBQOSOSLD-SFQUDFHCSA-N 0 0 397.525 4.010 40 10 GICBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000409017454 533265176 /nfs/dbraw/zinc/26/51/76/533265176.db2.gz WTILPPAWLLULBD-WJDWOHSUSA-N 0 0 384.863 4.050 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408769927 533266323 /nfs/dbraw/zinc/26/63/23/533266323.db2.gz QRYBTDQEELTRPW-MOSHPQCFSA-N 0 0 377.440 4.189 40 10 GICBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2ccco2)cc1 ZINC000112121983 533430377 /nfs/dbraw/zinc/43/03/77/533430377.db2.gz DDOCROWRALKDOE-PGMHBOJBSA-N 0 0 387.439 4.103 40 10 GICBRN Cc1ccc(-c2cnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1 ZINC000001355626 136193134 /nfs/dbraw/zinc/19/31/34/136193134.db2.gz BVMKOBOMBVTUNS-UHFFFAOYSA-N 0 0 377.513 4.467 40 10 GICBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc21 ZINC000208199351 136202743 /nfs/dbraw/zinc/20/27/43/136202743.db2.gz JMLKXDHBALMBEB-FAPYRAKZSA-N 0 0 389.524 4.179 40 10 GICBRN O=C(COc1cccc2c1CCCC2)NCc1ccc(N2CCCCC2)cc1 ZINC000224604434 136207093 /nfs/dbraw/zinc/20/70/93/136207093.db2.gz ZUFXQJMCLUBNLM-UHFFFAOYSA-N 0 0 378.516 4.251 40 10 GICBRN COc1cccc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)nc21 ZINC000054360844 222013628 /nfs/dbraw/zinc/01/36/28/222013628.db2.gz LRDKOWXCFVAGRH-YBEGLDIGSA-N 0 0 382.466 4.238 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)S1 ZINC000409024033 526697040 /nfs/dbraw/zinc/69/70/40/526697040.db2.gz HOVCZABODUQEKV-YVLHZVERSA-N 0 0 386.860 4.025 40 10 GICBRN CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC)SC1=S ZINC000409330343 528162095 /nfs/dbraw/zinc/16/20/95/528162095.db2.gz LGLMRCDFZWLZGC-LCYFTJDESA-N 0 0 386.336 4.459 40 10 GICBRN CCCCCNC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 ZINC000112119625 528183145 /nfs/dbraw/zinc/18/31/45/528183145.db2.gz MTBLABMQNSLELH-FXBPSFAMSA-N 0 0 377.488 4.500 40 10 GICBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc4ccccc4c3)c2C)NC1=S ZINC000409004315 528943764 /nfs/dbraw/zinc/94/37/64/528943764.db2.gz AFYRUVUMGIPBSC-MOSHPQCFSA-N 0 0 375.497 4.325 40 10 GICBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O ZINC000409106822 528953772 /nfs/dbraw/zinc/95/37/72/528953772.db2.gz PMLBEWQTUPEBHJ-WOJGMQOQSA-N 0 0 398.484 4.245 40 10 GICBRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC ZINC000217879727 536751793 /nfs/dbraw/zinc/75/17/93/536751793.db2.gz SAFIEBZLHUHODZ-SJORKVTESA-N 0 0 382.504 4.431 40 10 GICBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)cc1 ZINC000101013441 570280549 /nfs/dbraw/zinc/28/05/49/570280549.db2.gz MBRKMRWBIVKHKJ-VCHYOVAHSA-N 0 0 376.441 4.209 40 10 GICBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)CCN2C(=O)CCC2=O)cc1 ZINC000102886582 570383818 /nfs/dbraw/zinc/38/38/18/570383818.db2.gz NJNWRFHVRGQJNC-WCWDXBQESA-N 0 0 378.432 4.196 40 10 GICBRN COc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222593705 570416145 /nfs/dbraw/zinc/41/61/45/570416145.db2.gz JASAKRMAVDZIMO-IWMITWMQSA-N 0 0 394.544 4.280 40 10 GICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccn1 ZINC000222819004 570427732 /nfs/dbraw/zinc/42/77/32/570427732.db2.gz QAYQIEQAZBAKGW-LEWJYISDSA-N 0 0 391.544 4.265 40 10 GICBRN Nc1nn2c([nH]c(=O)cc2C(F)(F)F)c1N=Nc1cc(Cl)ccc1Cl ZINC000005530698 570444233 /nfs/dbraw/zinc/44/42/33/570444233.db2.gz NSHMHPZEQJHCRJ-QURGRASLSA-N 0 0 391.140 4.346 40 10 GICBRN CCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=S ZINC000006594303 570484441 /nfs/dbraw/zinc/48/44/41/570484441.db2.gz WCEKPUCXMYBCEG-DAXSKMNVSA-N 0 0 397.113 4.026 40 10 GICBRN CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1C ZINC000225424844 570572850 /nfs/dbraw/zinc/57/28/50/570572850.db2.gz IJTWYLLQHGFAGO-UHFFFAOYSA-N 0 0 397.544 4.259 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000059435707 570653931 /nfs/dbraw/zinc/65/39/31/570653931.db2.gz KZYITTQKBKFHAU-PDGQHHTCSA-N 0 0 383.831 4.226 40 10 GICBRN C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260905928 570714141 /nfs/dbraw/zinc/71/41/41/570714141.db2.gz TXFXIHTUYKUYAF-IRXDYDNUSA-N 0 0 380.488 4.185 40 10 GICBRN COC(=O)c1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 ZINC000226638080 570954202 /nfs/dbraw/zinc/95/42/02/570954202.db2.gz BXKKNAXMJZILHM-SIFCLUCFSA-N 0 0 395.455 4.326 40 10 GICBRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2ccccc2F)CCOCC1 ZINC000019662217 571026194 /nfs/dbraw/zinc/02/61/94/571026194.db2.gz CEBSGEREFUJGOQ-UHFFFAOYSA-N 0 0 396.506 4.181 40 10 GICBRN O=C(Oc1ccccc1/C=C1\SC(=S)NC1=O)c1ccc(Cl)cc1 ZINC000006258424 817670995 /nfs/dbraw/zinc/67/09/95/817670995.db2.gz HAGOGMOKWIBMBL-ZROIWOOFSA-N 0 0 375.858 4.048 40 10 GICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C)c1 ZINC000222737247 222613485 /nfs/dbraw/zinc/61/34/85/222613485.db2.gz HFISNYHWOAROTA-NHCUHLMSSA-N 0 0 376.529 4.400 40 10 GICBRN O=C1NC(=S)NC1=CC1=CC(=NNc2ccc(Cl)cc2Cl)C=CC1=O ZINC000408728031 231106285 /nfs/dbraw/zinc/10/62/85/231106285.db2.gz ZHLLJJBFDACOMA-ZCPICQCUSA-N 0 0 393.255 4.460 40 10 GICBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(OC)c1OC)[C@@H]1CC=C[C@@H]21 ZINC000409158103 231172584 /nfs/dbraw/zinc/17/25/84/231172584.db2.gz WNDDRILSVNSXPO-VPZZIHKRSA-N 0 0 382.416 4.447 40 10 GICBRN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000409343471 231192478 /nfs/dbraw/zinc/19/24/78/231192478.db2.gz HFNNHHQHCKTIBX-DHDCSXOGSA-N 0 0 390.417 4.148 40 10 GICBRN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001809316 212256801 /nfs/dbraw/zinc/25/68/01/212256801.db2.gz PXZPADMDHIFZPJ-GHXNOFRVSA-N 0 0 390.313 4.148 40 10 GICBRN COc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)cc(OC)c1OC ZINC000008410880 221040982 /nfs/dbraw/zinc/04/09/82/221040982.db2.gz VMDVAGHHMUOOEW-WQRHYEAKSA-N 0 0 398.484 4.412 40 10 GICBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000408788586 533264986 /nfs/dbraw/zinc/26/49/86/533264986.db2.gz LJSKULAZKIXPTI-UYRXBGFRSA-N 0 0 379.481 4.281 40 10 GICBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C ZINC000409061632 533265116 /nfs/dbraw/zinc/26/51/16/533265116.db2.gz YTQXVLQUVBPEMS-MOSHPQCFSA-N 0 0 392.499 4.484 40 10 GICBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408891738 533265170 /nfs/dbraw/zinc/26/51/70/533265170.db2.gz CLRQBISKKVLPRQ-LFIBNONCSA-N 0 0 385.822 4.352 40 10 GICBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408984535 533265911 /nfs/dbraw/zinc/26/59/11/533265911.db2.gz IDHMZJBBMBDYET-BKUYFWCQSA-N 0 0 392.499 4.484 40 10 GICBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCC(C)C)cc1 ZINC000112121175 533430397 /nfs/dbraw/zinc/43/03/97/533430397.db2.gz ULJGZKZWNJIXOL-HKWRFOASSA-N 0 0 381.451 4.105 40 10 GICBRN COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408765563 533431544 /nfs/dbraw/zinc/43/15/44/533431544.db2.gz MFNCYRPHHSUZIW-CPNJWEJPSA-N 0 0 376.437 4.297 40 10 GICBRN COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000218175185 136203648 /nfs/dbraw/zinc/20/36/48/136203648.db2.gz PZWSEAOMNVNBQI-QGZVFWFLSA-N 0 0 382.504 4.431 40 10 GICBRN CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000219559721 136204209 /nfs/dbraw/zinc/20/42/09/136204209.db2.gz RAXWMXHNKNTFDV-HXUWFJFHSA-N 0 0 382.504 4.159 40 10 GICBRN Cc1c(C)c(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2SCCN21 ZINC000068561756 222170481 /nfs/dbraw/zinc/17/04/81/222170481.db2.gz MHARJESMGJTFOU-LEWJYISDSA-N 0 0 378.545 4.499 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000408708855 533720980 /nfs/dbraw/zinc/72/09/80/533720980.db2.gz USWPISSMSHFSPN-IBGZPJMESA-N 0 0 387.483 4.394 40 10 GICBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S ZINC000409204913 533727275 /nfs/dbraw/zinc/72/72/75/533727275.db2.gz DGMNWKQRMIKICP-QGOAFFKASA-N 0 0 383.542 4.243 40 10 GICBRN CC(NCc1ccc(Cl)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000103916306 527539849 /nfs/dbraw/zinc/53/98/49/527539849.db2.gz YZMFOTQSQVXAQO-PDGQHHTCSA-N 0 0 384.823 4.035 40 10 GICBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(OC)cc1 ZINC000112124030 528065621 /nfs/dbraw/zinc/06/56/21/528065621.db2.gz KFLNOPRLRDVSFV-ZHZULCJRSA-N 0 0 394.431 4.492 40 10 GICBRN CCCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 ZINC000112123193 528449667 /nfs/dbraw/zinc/44/96/67/528449667.db2.gz KUOZXOMSOLAGPP-PGMHBOJBSA-N 0 0 393.487 4.118 40 10 GICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C ZINC000222737101 570423028 /nfs/dbraw/zinc/42/30/28/570423028.db2.gz JCJHHDSWIRAYNZ-LEWJYISDSA-N 0 0 376.529 4.400 40 10 GICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C)c1 ZINC000222737311 570423049 /nfs/dbraw/zinc/42/30/49/570423049.db2.gz HFISNYHWOAROTA-RTWAWAEBSA-N 0 0 376.529 4.400 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000222786566 570425924 /nfs/dbraw/zinc/42/59/24/570425924.db2.gz LDSYIASZJMLMMN-SFTDATJTSA-N 0 0 392.528 4.187 40 10 GICBRN CCOc1ccccc1NC1=NC(=O)C(=Cc2nc3ccccc3n2C)S1 ZINC000005236009 570432001 /nfs/dbraw/zinc/43/20/01/570432001.db2.gz ASBWOEVYRKWJBC-SFQUDFHCSA-N 0 0 378.457 4.054 40 10 GICBRN CCCCOC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000005371009 570435248 /nfs/dbraw/zinc/43/52/48/570435248.db2.gz YJOTZKHFKUWTBY-YUTYINLDSA-N 0 0 375.515 4.177 40 10 GICBRN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1C ZINC000223484935 570468436 /nfs/dbraw/zinc/46/84/36/570468436.db2.gz SOFNQWHAOYXGKR-UHFFFAOYSA-N 0 0 395.480 4.344 40 10 GICBRN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C ZINC000223640203 570476306 /nfs/dbraw/zinc/47/63/06/570476306.db2.gz UADHYAVLFGDUJZ-UHFFFAOYSA-N 0 0 381.453 4.035 40 10 GICBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 ZINC000225244562 570558913 /nfs/dbraw/zinc/55/89/13/570558913.db2.gz ZVVCEJAKEXDGEK-UHFFFAOYSA-N 0 0 390.549 4.143 40 10 GICBRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000225424958 570573010 /nfs/dbraw/zinc/57/30/10/570573010.db2.gz VARHGURMERZPIR-UHFFFAOYSA-N 0 0 397.544 4.259 40 10 GICBRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1F ZINC000225608346 570593167 /nfs/dbraw/zinc/59/31/67/570593167.db2.gz XQLVQHIHCFUYDR-MRXNPFEDSA-N 0 0 376.497 4.164 40 10 GICBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1C ZINC000225695330 570604581 /nfs/dbraw/zinc/60/45/81/570604581.db2.gz DYKDGFQWGSMTBQ-MRXNPFEDSA-N 0 0 397.544 4.429 40 10 GICBRN CCOC(=O)c1ccc(NC(=S)NCCN(CC)c2ccc(C)cc2)c(C)c1 ZINC000225793931 570618150 /nfs/dbraw/zinc/61/81/50/570618150.db2.gz YTXZIGRXSPPJTD-UHFFFAOYSA-N 0 0 399.560 4.293 40 10 GICBRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000044902704 570640759 /nfs/dbraw/zinc/64/07/59/570640759.db2.gz QGQPMRINOMQZPX-JOCHJYFZSA-N 0 0 382.504 4.159 40 10 GICBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cn1 ZINC000260742313 570702451 /nfs/dbraw/zinc/70/24/51/570702451.db2.gz VAKOSJLHQHKSLV-HOTGVXAUSA-N 0 0 384.549 4.374 40 10 GICBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)cc21 ZINC000260755811 570702988 /nfs/dbraw/zinc/70/29/88/570702988.db2.gz BUGVBFJXGQUCNI-VQTJNVASSA-N 0 0 378.545 4.316 40 10 GICBRN COc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260766108 570704401 /nfs/dbraw/zinc/70/44/01/570704401.db2.gz JASAKRMAVDZIMO-GQWLDOHISA-N 0 0 394.544 4.280 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1F ZINC000006348348 570741125 /nfs/dbraw/zinc/74/11/25/570741125.db2.gz RESXERJAXAVCJK-ZROIWOOFSA-N 0 0 389.785 4.495 40 10 GICBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 ZINC000111442516 570794397 /nfs/dbraw/zinc/79/43/97/570794397.db2.gz MBTPSYGHODMTSU-LVCYWYKZSA-N 0 0 377.440 4.476 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(OCC)c1 ZINC000013601126 570861206 /nfs/dbraw/zinc/86/12/06/570861206.db2.gz FTGNXWHYXJYXQR-AQTBWJFISA-N 0 0 393.439 4.058 40 10 GICBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000222411848 570950853 /nfs/dbraw/zinc/95/08/53/570950853.db2.gz HLPFWSVVQWOJLB-STXHMFSFSA-N 0 0 382.416 4.447 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(O)cc1 ZINC000006307882 817674681 /nfs/dbraw/zinc/67/46/81/817674681.db2.gz DTRZDUCXLAOPNK-ZHZULCJRSA-N 0 0 385.419 4.423 40 10 GICBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000409225205 231183373 /nfs/dbraw/zinc/18/33/73/231183373.db2.gz JVJSNWTZTMOGCL-LDADJPATSA-N 0 0 388.464 4.306 40 10 GICBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O ZINC000409247093 231187769 /nfs/dbraw/zinc/18/77/69/231187769.db2.gz BSUBTHSICGVVBM-WOJGMQOQSA-N 0 0 388.464 4.306 40 10 GICBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1Cc1ccccc1 ZINC000409249801 231187905 /nfs/dbraw/zinc/18/79/05/231187905.db2.gz OTGUXMLBJQDOFF-HYARGMPZSA-N 0 0 385.467 4.246 40 10 GICBRN Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409336247 231191505 /nfs/dbraw/zinc/19/15/05/231191505.db2.gz NEFVJGAZVRHFJN-YBEGLDIGSA-N 0 0 393.830 4.105 40 10 GICBRN CCc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 ZINC000409061066 529584945 /nfs/dbraw/zinc/58/49/45/529584945.db2.gz URUCBTLLNQRRKS-STZFKDTASA-N 0 0 375.468 4.430 40 10 GICBRN CCOC(=O)c1cccc(NC(=S)NCCN(CC)c2ccc(C)cc2)c1C ZINC000225793861 222697935 /nfs/dbraw/zinc/69/79/35/222697935.db2.gz BRHIRGJCLZHBBF-UHFFFAOYSA-N 0 0 399.560 4.293 40 10 GICBRN CCN(CC)/N=N/c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004831828 220771163 /nfs/dbraw/zinc/77/11/63/220771163.db2.gz GXMKFXXGNSKOFT-XTQSDGFTSA-N 0 0 390.553 4.274 40 10 GICBRN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccc(Cl)cc1 ZINC000015008869 221325893 /nfs/dbraw/zinc/32/58/93/221325893.db2.gz DCERXOSJJBFKKL-OQLLNIDSSA-N 0 0 391.901 4.416 40 10 GICBRN CCOc1c(/N=N\c2ccc(OC)cc2)c(-c2ccccc2)nn1C(N)=S ZINC000017140004 221379775 /nfs/dbraw/zinc/37/97/75/221379775.db2.gz XXXBZPQJKIZZQL-DQRAZIAOSA-N 0 0 381.461 4.465 40 10 GICBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1OC ZINC000409062377 533268552 /nfs/dbraw/zinc/26/85/52/533268552.db2.gz SSFOQCCFPLYRMD-QINSGFPZSA-N 0 0 383.831 4.226 40 10 GICBRN CN1CCCc2cc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)ccc21 ZINC000054360771 222013087 /nfs/dbraw/zinc/01/30/87/222013087.db2.gz XOYXLZXUECBZPX-PDGQHHTCSA-N 0 0 382.510 4.180 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000408706915 533721656 /nfs/dbraw/zinc/72/16/56/533721656.db2.gz FCDLGIBSQJSUBX-QGZVFWFLSA-N 0 0 391.446 4.225 40 10 GICBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2c(C)n(C)c3ccccc23)SC1=S ZINC000409198278 533726983 /nfs/dbraw/zinc/72/69/83/533726983.db2.gz BMGKIPYGDYGDAY-WQRHYEAKSA-N 0 0 381.526 4.442 40 10 GICBRN CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000408744731 527118302 /nfs/dbraw/zinc/11/83/02/527118302.db2.gz ZQAAEBHELYIFNG-XNTDXEJSSA-N 0 0 385.213 4.356 40 10 GICBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1cccs1 ZINC000103918016 528065261 /nfs/dbraw/zinc/06/52/61/528065261.db2.gz WOJKRYXYJCNKHR-AQTBWJFISA-N 0 0 384.461 4.223 40 10 GICBRN CCOc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409343424 528370999 /nfs/dbraw/zinc/37/09/99/528370999.db2.gz HJFLBPGBXSMRTA-YBEGLDIGSA-N 0 0 386.454 4.399 40 10 GICBRN CCOc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 ZINC000408646529 528513690 /nfs/dbraw/zinc/51/36/90/528513690.db2.gz PEZFITPBSDZFGB-UHFFFAOYSA-N 0 0 392.455 4.288 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000409002676 528617450 /nfs/dbraw/zinc/61/74/50/528617450.db2.gz WDCADNZZCZNYQC-ZHZULCJRSA-N 0 0 393.439 4.058 40 10 GICBRN CCOc1cccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409330736 528627392 /nfs/dbraw/zinc/62/73/92/528627392.db2.gz LSUCLPBQHWUUTN-MHWRWJLKSA-N 0 0 386.454 4.399 40 10 GICBRN CCOC(=O)CC1(c2c(C)c(C)c(C)c(C)c2C)C(=O)c2ccccc2C1=O ZINC000408732996 528678431 /nfs/dbraw/zinc/67/84/31/528678431.db2.gz CNYNTMNFKPNUPK-UHFFFAOYSA-N 0 0 378.468 4.499 40 10 GICBRN Oc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(NC2CCCCC2)n1 ZINC000329021749 570213473 /nfs/dbraw/zinc/21/34/73/570213473.db2.gz OIMXLPZEPLIFEP-UHFFFAOYSA-N 0 0 386.805 4.186 40 10 GICBRN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000103066580 570416866 /nfs/dbraw/zinc/41/68/66/570416866.db2.gz UPTKEHOGEFCOTP-WHRDDLDESA-N 0 0 390.443 4.216 40 10 GICBRN COc1ccc(C(=O)N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 ZINC000005320717 570433978 /nfs/dbraw/zinc/43/39/78/570433978.db2.gz BLVHEDSZLAXNLD-XNTDXEJSSA-N 0 0 389.885 4.390 40 10 GICBRN CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 ZINC000039127313 570434740 /nfs/dbraw/zinc/43/47/40/570434740.db2.gz BQRWMOHZIUVZMH-QINSGFPZSA-N 0 0 377.366 4.474 40 10 GICBRN CCOc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S ZINC000005960312 570463439 /nfs/dbraw/zinc/46/34/39/570463439.db2.gz VHYPLDSORUMIHC-GZTJUZNOSA-N 0 0 387.482 4.205 40 10 GICBRN O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S ZINC000006221054 570472758 /nfs/dbraw/zinc/47/27/58/570472758.db2.gz RSFPOIJAPGMMEJ-NTEUORMPSA-N 0 0 375.858 4.087 40 10 GICBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)C(C(=O)OC)=C1C ZINC000006418176 570479570 /nfs/dbraw/zinc/47/95/70/570479570.db2.gz MRZHMOALJRWYHU-MOSHPQCFSA-N 0 0 392.499 4.403 40 10 GICBRN COc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260466127 570493870 /nfs/dbraw/zinc/49/38/70/570493870.db2.gz FHOMWHJYHFWFIE-ZWKOTPCHSA-N 0 0 382.504 4.188 40 10 GICBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)c1 ZINC000032109833 570508596 /nfs/dbraw/zinc/50/85/96/570508596.db2.gz KPUZPGYNXHZXDU-WQRHYEAKSA-N 0 0 398.484 4.325 40 10 GICBRN CN(CCNC(=S)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000225571333 570589409 /nfs/dbraw/zinc/58/94/09/570589409.db2.gz WTNFPLHRURSROD-UHFFFAOYSA-N 0 0 382.302 4.011 40 10 GICBRN Cc1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1C ZINC000004718881 570636591 /nfs/dbraw/zinc/63/65/91/570636591.db2.gz QLAIJYSQJCYCOK-HAHDFKILSA-N 0 0 398.462 4.344 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000058883977 570650344 /nfs/dbraw/zinc/65/03/44/570650344.db2.gz OPLYGVLRNRYKIW-WQRHYEAKSA-N 0 0 383.831 4.226 40 10 GICBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000004959539 570653307 /nfs/dbraw/zinc/65/33/07/570653307.db2.gz HLPFWSVVQWOJLB-AVYPCKFXSA-N 0 0 382.416 4.447 40 10 GICBRN C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260504047 570672346 /nfs/dbraw/zinc/67/23/46/570672346.db2.gz CDMRMQPAXXTGJQ-ZWKOTPCHSA-N 0 0 394.515 4.462 40 10 GICBRN Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(I)c(C)c1 ZINC000408773303 570682716 /nfs/dbraw/zinc/68/27/16/570682716.db2.gz QOCADHGFMJOVQT-VOTSOKGWSA-N 0 0 382.201 4.255 40 10 GICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccn1 ZINC000260769294 570703315 /nfs/dbraw/zinc/70/33/15/570703315.db2.gz LJOOGVLKWLAFRE-GQWLDOHISA-N 0 0 389.528 4.473 40 10 GICBRN O=C(CN1c2cccc3cccc(c23)C1=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010113171 570782402 /nfs/dbraw/zinc/78/24/02/570782402.db2.gz JMWQWDZPOGHQCK-UHFFFAOYSA-N 0 0 399.494 4.107 40 10 GICBRN Ic1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000033401422 570909679 /nfs/dbraw/zinc/90/96/79/570909679.db2.gz ZMAYSCPWRLHCTG-CUFDPUGPSA-N 0 0 375.253 4.444 40 10 GICBRN CCn1cnc2cc(NCc3ccc(OC)c(OC[C@@H]4CCCO4)c3)ccc21 ZINC000019578310 571012188 /nfs/dbraw/zinc/01/21/88/571012188.db2.gz ZGPIYZONSRKZJD-SFHVURJKSA-N 0 0 381.476 4.235 40 10 GICBRN CCOc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000004541631 817531115 /nfs/dbraw/zinc/53/11/15/817531115.db2.gz FZNFSBZCTDUVPA-UHFFFAOYSA-N 0 0 392.455 4.288 40 10 GICBRN CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)SC1=S ZINC000033621350 821058224 /nfs/dbraw/zinc/05/82/24/821058224.db2.gz UTTCTVZSXXPMNZ-PDGQHHTCSA-N 0 0 385.510 4.495 40 10 GICBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(F)cc1 ZINC000222739192 222612750 /nfs/dbraw/zinc/61/27/50/222612750.db2.gz XPEBNOMWYCKQBR-VQTJNVASSA-N 0 0 380.492 4.231 40 10 GICBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1ccc(O)cc1 ZINC000408849356 231121694 /nfs/dbraw/zinc/12/16/94/231121694.db2.gz ZTVDKHWGYBWESK-XMHGGMMESA-N 0 0 385.379 4.135 40 10 GICBRN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408999007 231144675 /nfs/dbraw/zinc/14/46/75/231144675.db2.gz VTGFCHKDDPTVGG-NSIKDUERSA-N 0 0 393.877 4.145 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(OC)c1 ZINC000409054703 231152273 /nfs/dbraw/zinc/15/22/73/231152273.db2.gz VSCMVPNKDXNEJD-ZDLGFXPLSA-N 0 0 385.510 4.414 40 10 GICBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O ZINC000409125084 231167619 /nfs/dbraw/zinc/16/76/19/231167619.db2.gz IZYAUSQBAIBZNI-GZTJUZNOSA-N 0 0 390.892 4.430 40 10 GICBRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccc2)n1 ZINC000329006354 212092161 /nfs/dbraw/zinc/09/21/61/212092161.db2.gz LDMVOEWKTGPDJB-SFHVURJKSA-N 0 0 398.894 4.097 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(C)cc1 ZINC000409367246 533267435 /nfs/dbraw/zinc/26/74/35/533267435.db2.gz NNPDBJACWSOSPJ-NDENLUEZSA-N 0 0 375.424 4.075 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccccc1O ZINC000409376132 533268464 /nfs/dbraw/zinc/26/84/64/533268464.db2.gz UVJJYSQUHIQEBF-RGEXLXHISA-N 0 0 385.419 4.423 40 10 GICBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408985483 533264955 /nfs/dbraw/zinc/26/49/55/533264955.db2.gz KTNPEDSSTJLQAH-ZHZULCJRSA-N 0 0 391.467 4.347 40 10 GICBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1C ZINC000409342671 533474988 /nfs/dbraw/zinc/47/49/88/533474988.db2.gz DUAVLDOUEMIIFM-SXGWCWSVSA-N 0 0 386.454 4.318 40 10 GICBRN C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222653394 136204979 /nfs/dbraw/zinc/20/49/79/136204979.db2.gz CDMRMQPAXXTGJQ-MSOLQXFVSA-N 0 0 394.515 4.462 40 10 GICBRN C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccc(N2CCCC2)c(F)c1 ZINC000057731507 222035938 /nfs/dbraw/zinc/03/59/38/222035938.db2.gz FPQYCQFKWNKIPI-GOSISDBHSA-N 0 0 385.502 4.271 40 10 GICBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)cc1 ZINC000409018458 533952010 /nfs/dbraw/zinc/95/20/10/533952010.db2.gz MFQKASZFDUZWLW-WOJGMQOQSA-N 0 0 398.484 4.325 40 10 GICBRN COc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000408842174 534005779 /nfs/dbraw/zinc/00/57/79/534005779.db2.gz NFSITNCBVSLENP-XDJHFCHBSA-N 0 0 399.406 4.438 40 10 GICBRN Ic1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000409335991 534540432 /nfs/dbraw/zinc/54/04/32/534540432.db2.gz ZMAYSCPWRLHCTG-AYRXBEOTSA-N 0 0 375.253 4.444 40 10 GICBRN CC(=O)c1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)cc1 ZINC000408770663 527218422 /nfs/dbraw/zinc/21/84/22/527218422.db2.gz ZXQXBUFYDWNAGS-UHFFFAOYSA-N 0 0 380.396 4.293 40 10 GICBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000408998669 528149871 /nfs/dbraw/zinc/14/98/71/528149871.db2.gz RTKGIACLVCFCBN-HKWRFOASSA-N 0 0 390.443 4.391 40 10 GICBRN CCOc1ccc(NC(C)=C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000112120624 528481040 /nfs/dbraw/zinc/48/10/40/528481040.db2.gz MLXZQTAZHWNVAW-UYRXBGFRSA-N 0 0 380.404 4.102 40 10 GICBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408891678 528482546 /nfs/dbraw/zinc/48/25/46/528482546.db2.gz BAFZSFBZZQJTPY-UYRXBGFRSA-N 0 0 381.403 4.102 40 10 GICBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(C(=O)OC)=C1C ZINC000409015832 528944590 /nfs/dbraw/zinc/94/45/90/528944590.db2.gz BRQWEGHPPRPCTB-ODLFYWEKSA-N 0 0 398.890 4.440 40 10 GICBRN C[C@H](NC(=O)c1ccccc1Cn1cccn1)c1ccc(N2CCCCC2)cc1 ZINC000019719180 570210452 /nfs/dbraw/zinc/21/04/52/570210452.db2.gz GJBPXUDILQYULY-IBGZPJMESA-N 0 0 388.515 4.413 40 10 GICBRN CCOc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1OCC ZINC000020456357 570259228 /nfs/dbraw/zinc/25/92/28/570259228.db2.gz ROIRDICAPLIGLP-UHFFFAOYSA-N 0 0 396.531 4.333 40 10 GICBRN O=C(NN1C(=O)/C(=C\c2ccccc2F)SC1=S)c1ccc(Cl)cc1 ZINC000040940251 570270430 /nfs/dbraw/zinc/27/04/30/570270430.db2.gz RPJFARFLTOWNKQ-NTEUORMPSA-N 0 0 392.864 4.025 40 10 GICBRN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(Br)cc3)NC2=O)cc1 ZINC000004615421 570388047 /nfs/dbraw/zinc/38/80/47/570388047.db2.gz XEFVANLRIXXVHW-AQTBWJFISA-N 0 0 398.304 4.213 40 10 GICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C)c1 ZINC000222737442 570423007 /nfs/dbraw/zinc/42/30/07/570423007.db2.gz HFISNYHWOAROTA-SFTDATJTSA-N 0 0 376.529 4.400 40 10 GICBRN CCCCNC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005370932 570435064 /nfs/dbraw/zinc/43/50/64/570435064.db2.gz TXLIDZCFMFGHTL-SFXQBQATSA-N 0 0 388.558 4.141 40 10 GICBRN CC(=C\c1ccccc1)/C=C1\SC(N2CCN(c3ccccc3)CC2)=NC1=O ZINC000005373158 570435654 /nfs/dbraw/zinc/43/56/54/570435654.db2.gz UWLIQOLUPBJWEP-MELVWCACSA-N 0 0 389.524 4.425 40 10 GICBRN CC(C)c1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 ZINC000005551860 570445351 /nfs/dbraw/zinc/44/53/51/570445351.db2.gz FTIJAHZKZAFKQS-PDGQHHTCSA-N 0 0 396.537 4.285 40 10 GICBRN CCCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S ZINC000005825166 570458259 /nfs/dbraw/zinc/45/82/59/570458259.db2.gz HBUHGDOJHLNLBB-DTQAZKPQSA-N 0 0 377.531 4.320 40 10 GICBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 ZINC000223563674 570471503 /nfs/dbraw/zinc/47/15/03/570471503.db2.gz SOICKRQXORIVBX-SFHVURJKSA-N 0 0 380.532 4.495 40 10 GICBRN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2F)N1c1ccccc1 ZINC000408757596 570507584 /nfs/dbraw/zinc/50/75/84/570507584.db2.gz AOUBPEAYRZFXQO-XDHOZWIPSA-N 0 0 386.382 4.389 40 10 GICBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(O)cc1 ZINC000408754718 570544543 /nfs/dbraw/zinc/54/45/43/570544543.db2.gz HFDHGYFKXUVRFF-XSFVSMFZSA-N 0 0 385.379 4.135 40 10 GICBRN COc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c(OC)c1 ZINC000225415933 570571603 /nfs/dbraw/zinc/57/16/03/570571603.db2.gz XLYDFKQLZJVRLI-UHFFFAOYSA-N 0 0 385.533 4.181 40 10 GICBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000002488531 570590372 /nfs/dbraw/zinc/59/03/72/570590372.db2.gz HLPFWSVVQWOJLB-AUSJPIAWSA-N 0 0 382.416 4.447 40 10 GICBRN COC(=O)c1ccc([C@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004151432 570619464 /nfs/dbraw/zinc/61/94/64/570619464.db2.gz WTGRLGCHWTUYKT-FRQCXROJSA-N 0 0 380.400 4.217 40 10 GICBRN O=C1NC(=S)S/C1=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000005007397 570653027 /nfs/dbraw/zinc/65/30/27/570653027.db2.gz OOBRLIOZAZPDGT-WQRHYEAKSA-N 0 0 398.484 4.348 40 10 GICBRN CCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2OC)SC1=S ZINC000409008372 570692331 /nfs/dbraw/zinc/69/23/31/570692331.db2.gz XNCAGFRTTIWQFC-YHYXMXQVSA-N 0 0 392.727 4.332 40 10 GICBRN COc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(OC)c1 ZINC000260739877 570702091 /nfs/dbraw/zinc/70/20/91/570702091.db2.gz QDYWMCMXNONWKV-INIZCTEOSA-N 0 0 399.560 4.427 40 10 GICBRN CC(NCCc1ccc(F)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000101623841 570716569 /nfs/dbraw/zinc/71/65/69/570716569.db2.gz OXCVNCNTECJPTG-UYRXBGFRSA-N 0 0 394.475 4.264 40 10 GICBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000007621600 570761293 /nfs/dbraw/zinc/76/12/93/570761293.db2.gz OJANONNRUAXHBJ-LFIBNONCSA-N 0 0 385.470 4.067 40 10 GICBRN CCOC(=O)c1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1Cl ZINC000012410684 570806810 /nfs/dbraw/zinc/80/68/10/570806810.db2.gz SACXGDVJTJZXLG-ZSOIEALJSA-N 0 0 393.873 4.266 40 10 GICBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 ZINC000017080803 570918807 /nfs/dbraw/zinc/91/88/07/570918807.db2.gz WGEKXICQTMSAGV-QNGOZBTKSA-N 0 0 395.434 4.094 40 10 GICBRN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC(C)(C)C)C2=O)cc1 ZINC000004746553 570961150 /nfs/dbraw/zinc/96/11/50/570961150.db2.gz GAKQKZYEKPWESX-SSZFMOIBSA-N 0 0 390.574 4.145 40 10 GICBRN Cc1cc(C)n(-c2ccc(NCc3ccc(N4CCOCC4)cc3C)cc2)n1 ZINC000019715736 571037888 /nfs/dbraw/zinc/03/78/88/571037888.db2.gz HKVONKDGAPRRFB-UHFFFAOYSA-N 0 0 376.504 4.246 40 10 GICBRN C=CCc1cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc(OC)c1O ZINC000006906015 817723345 /nfs/dbraw/zinc/72/33/45/817723345.db2.gz FSPJEWNDPOTYNH-GZTJUZNOSA-N 0 0 384.432 4.351 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1cccc(O)c1 ZINC000033626753 821058030 /nfs/dbraw/zinc/05/80/30/821058030.db2.gz PFMJSZPHFYBEGD-ZHZULCJRSA-N 0 0 385.419 4.423 40 10 GICBRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)cc2F)S1 ZINC000222593478 222610499 /nfs/dbraw/zinc/61/04/99/222610499.db2.gz OZHHLQRZIWMION-GKCIPKSASA-N 0 0 382.508 4.410 40 10 GICBRN Cc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1ccccc1 ZINC000408740746 231109742 /nfs/dbraw/zinc/10/97/42/231109742.db2.gz MEEFXPWMIZSLKU-LPYMAVHISA-N 0 0 399.519 4.481 40 10 GICBRN Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)N(C2CCCCC2)C(=S)N1C ZINC000409081599 231156465 /nfs/dbraw/zinc/15/64/65/231156465.db2.gz QDYVRLJUXVYHCK-HKWRFOASSA-N 0 0 383.561 4.328 40 10 GICBRN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000409338132 231191787 /nfs/dbraw/zinc/19/17/87/231191787.db2.gz DPFFOLLRHKWIDL-YBEGLDIGSA-N 0 0 386.454 4.318 40 10 GICBRN CCc1ccccc1NC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC ZINC000112123581 529586194 /nfs/dbraw/zinc/58/61/94/529586194.db2.gz IPWQCEXHPMHFCZ-STZFKDTASA-N 0 0 395.434 4.040 40 10 GICBRN CCN(CC)c1ccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001445360 212246715 /nfs/dbraw/zinc/24/67/15/212246715.db2.gz JJQABRIHEDHFHQ-LDADJPATSA-N 0 0 379.416 4.094 40 10 GICBRN Cc1cccc(NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1 ZINC000000823083 212185086 /nfs/dbraw/zinc/18/50/86/212185086.db2.gz CKSYRTQBIQSIHT-QJOMJCCJSA-N 0 0 399.494 4.471 40 10 GICBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000006348243 533265037 /nfs/dbraw/zinc/26/50/37/533265037.db2.gz DFFUUZXNUOARDF-WJDWOHSUSA-N 0 0 390.277 4.064 40 10 GICBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408765856 533266477 /nfs/dbraw/zinc/26/64/77/533266477.db2.gz BOGZJHFVYPWTDQ-QIQQCEGHSA-N 0 0 392.411 4.029 40 10 GICBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1O ZINC000059959245 533266580 /nfs/dbraw/zinc/26/65/80/533266580.db2.gz JFLVHCDCXFWQLY-UYRXBGFRSA-N 0 0 377.440 4.393 40 10 GICBRN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(OC)c1 ZINC000409342110 533474727 /nfs/dbraw/zinc/47/47/27/533474727.db2.gz BYYROEHDRIMDII-PXNMLYILSA-N 0 0 375.446 4.249 40 10 GICBRN C[C@@H]1CCCN(c2ccc(CNC(=O)COc3cccc4c3CCCC4)cc2)C1 ZINC000223209961 136205648 /nfs/dbraw/zinc/20/56/48/136205648.db2.gz AGWPOGZBAOPGMQ-LJQANCHMSA-N 0 0 392.543 4.497 40 10 GICBRN COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)ccc1Cl ZINC000409334930 533713960 /nfs/dbraw/zinc/71/39/60/533713960.db2.gz XAGIOTLYBASPDV-ZSOIEALJSA-N 0 0 393.873 4.218 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000408708856 533721631 /nfs/dbraw/zinc/72/16/31/533721631.db2.gz USWPISSMSHFSPN-LJQANCHMSA-N 0 0 387.483 4.394 40 10 GICBRN COc1cccc([C@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409160483 533805557 /nfs/dbraw/zinc/80/55/57/533805557.db2.gz QECQYVUFVPTCPJ-LPMFXHHGSA-N 0 0 382.416 4.447 40 10 GICBRN COc1ccccc1N1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S ZINC000409381690 534130600 /nfs/dbraw/zinc/13/06/00/534130600.db2.gz IQNWXYGLEUAJGG-YVLHZVERSA-N 0 0 395.461 4.207 40 10 GICBRN O=C1[C@@H](Cc2ccc3c(c2)OCO3)SC(=S)N1CCC1CCCCC1 ZINC000409149556 534825282 /nfs/dbraw/zinc/82/52/82/534825282.db2.gz JRUUXURWSLTRPX-QGZVFWFLSA-N 0 0 377.531 4.157 40 10 GICBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000409025308 526696856 /nfs/dbraw/zinc/69/68/56/526696856.db2.gz SXWIOBQZTADPRL-YVLHZVERSA-N 0 0 386.860 4.025 40 10 GICBRN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)cc1 ZINC000409023247 526932792 /nfs/dbraw/zinc/93/27/92/526932792.db2.gz ZHNMFOREOOAAEC-YBFXNURJSA-N 0 0 397.500 4.497 40 10 GICBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccccc1 ZINC000103917814 528065779 /nfs/dbraw/zinc/06/57/79/528065779.db2.gz UZOSVVGFIUSFAW-HKWRFOASSA-N 0 0 378.432 4.161 40 10 GICBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1cccs1 ZINC000103918616 528065864 /nfs/dbraw/zinc/06/58/64/528065864.db2.gz UEMOPJBSNKIVMG-RGEXLXHISA-N 0 0 398.488 4.265 40 10 GICBRN CCOc1c(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cccc1OC ZINC000409204222 528165912 /nfs/dbraw/zinc/16/59/12/528165912.db2.gz CUFUNHQMJHFWQG-LFIBNONCSA-N 0 0 388.514 4.050 40 10 GICBRN CCOc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cccc1OC ZINC000408974566 528166507 /nfs/dbraw/zinc/16/65/07/528166507.db2.gz ZSYMXVYKPFCXSS-QINSGFPZSA-N 0 0 390.361 4.442 40 10 GICBRN CCCCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112123524 528183370 /nfs/dbraw/zinc/18/33/70/528183370.db2.gz XRIUBYPPGNTRPZ-SILNSSARSA-N 0 0 392.459 4.400 40 10 GICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1F ZINC000014414962 528615869 /nfs/dbraw/zinc/61/58/69/528615869.db2.gz RFOIGUVJBMPYFH-CYVLTUHYSA-N 0 0 379.431 4.131 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408792547 528617268 /nfs/dbraw/zinc/61/72/68/528617268.db2.gz AVBVPKVFJSTWMQ-HKWRFOASSA-N 0 0 376.456 4.020 40 10 GICBRN Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccc(Cl)s2)c[nH]1 ZINC000096296172 560060288 /nfs/dbraw/zinc/06/02/88/560060288.db2.gz ADTGGCMVMZQTQJ-AWEZNQCLSA-N 0 0 375.881 4.071 40 10 biogenic,in-vitro GICBRN CCN1C(=O)[C@@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S ZINC000006953010 570398174 /nfs/dbraw/zinc/39/81/74/570398174.db2.gz HZCHKVJDBXDPMG-QGZVFWFLSA-N 0 0 375.490 4.196 40 10 GICBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccn1 ZINC000222597868 570416110 /nfs/dbraw/zinc/41/61/10/570416110.db2.gz LJOOGVLKWLAFRE-IWMITWMQSA-N 0 0 389.528 4.473 40 10 GICBRN CC(=O)c1ccc(N2C(=O)C(=Cc3nc4ccccc4n3C)SC2=S)cc1 ZINC000005235993 570432153 /nfs/dbraw/zinc/43/21/53/570432153.db2.gz WBNHHAYYUPVVEC-GZTJUZNOSA-N 0 0 393.493 4.182 40 10 GICBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000005371328 570435434 /nfs/dbraw/zinc/43/54/34/570435434.db2.gz ULESTCQEJHGMBA-YVLHZVERSA-N 0 0 387.482 4.118 40 10 GICBRN COc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O ZINC000005372024 570435757 /nfs/dbraw/zinc/43/57/57/570435757.db2.gz IFSJZEIFYOVVIR-MFOYZWKCSA-N 0 0 385.466 4.009 40 10 GICBRN Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)c(C(C)C)cc1O ZINC000005579180 570447320 /nfs/dbraw/zinc/44/73/20/570447320.db2.gz IXZUDIOTDXFSSD-UHFFFAOYSA-N 0 0 384.295 4.387 40 10 GICBRN COc1ccc([C@H]2CC(c3c(O)ccc4ccccc43)=NN2C(C)=O)cc1OC ZINC000005855422 570459264 /nfs/dbraw/zinc/45/92/64/570459264.db2.gz AJPOORVEBHHPGL-LJQANCHMSA-N 0 0 390.439 4.260 40 10 GICBRN COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C ZINC000225109380 570549265 /nfs/dbraw/zinc/54/92/65/570549265.db2.gz GNJMFGVUCVLMLJ-UHFFFAOYSA-N 0 0 395.480 4.344 40 10 GICBRN Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000225598098 570592290 /nfs/dbraw/zinc/59/22/90/570592290.db2.gz LATXIQIGOZGSGY-KRWDZBQOSA-N 0 0 390.524 4.410 40 10 GICBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cn1 ZINC000225671913 570600942 /nfs/dbraw/zinc/60/09/42/570600942.db2.gz VAKOSJLHQHKSLV-HZPDHXFCSA-N 0 0 384.549 4.374 40 10 GICBRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000044902701 570640763 /nfs/dbraw/zinc/64/07/63/570640763.db2.gz QGQPMRINOMQZPX-QFIPXVFZSA-N 0 0 382.504 4.159 40 10 GICBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)C(=O)NC1=S ZINC000059182260 570651187 /nfs/dbraw/zinc/65/11/87/570651187.db2.gz YTFOGGNPVIREHN-WOJGMQOQSA-N 0 0 381.501 4.198 40 10 GICBRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1 ZINC000260775003 570705141 /nfs/dbraw/zinc/70/51/41/570705141.db2.gz OQRHWIDRFFMJAW-IPHXSNPTSA-N 0 0 394.544 4.280 40 10 GICBRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1F ZINC000260801772 570708301 /nfs/dbraw/zinc/70/83/01/570708301.db2.gz MNGVITWVTZQGEM-DOTOQJQBSA-N 0 0 390.524 4.410 40 10 GICBRN COC(=O)c1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000000871783 570710016 /nfs/dbraw/zinc/71/00/16/570710016.db2.gz TUVWSTBUSUXFDH-BIENJYKASA-N 0 0 380.400 4.217 40 10 GICBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(F)c1 ZINC000006962903 570754115 /nfs/dbraw/zinc/75/41/15/570754115.db2.gz RWABDVBNIGVNET-ZHZULCJRSA-N 0 0 395.430 4.492 40 10 GICBRN C[C@@H]1[C@@H](/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C ZINC000016608273 570913657 /nfs/dbraw/zinc/91/36/57/570913657.db2.gz GJEDYODRNPXMLU-NAEZADMHSA-N 0 0 387.527 4.179 40 10 GICBRN COc1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3Cl)C2=O)cc1 ZINC000408719781 231104860 /nfs/dbraw/zinc/10/48/60/231104860.db2.gz RVZYLSBHYVYSMG-XNTDXEJSSA-N 0 0 389.885 4.390 40 10 GICBRN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000409339051 231191450 /nfs/dbraw/zinc/19/14/50/231191450.db2.gz RHPPJWCVRIEDCP-YBEGLDIGSA-N 0 0 386.454 4.318 40 10 GICBRN CCc1ccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)cc1 ZINC000409064393 529584951 /nfs/dbraw/zinc/58/49/51/529584951.db2.gz CGXLTJIOKWDGTH-MOSHPQCFSA-N 0 0 377.440 4.135 40 10 GICBRN COc1ccc(OC)c2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000408737485 532996774 /nfs/dbraw/zinc/99/67/74/532996774.db2.gz SDABXDUPMHRWAT-CKNLXJGOSA-N 0 0 382.416 4.447 40 10 GICBRN COc1ccc(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)c(OC)c1 ZINC000018211164 221390281 /nfs/dbraw/zinc/39/02/81/221390281.db2.gz GIEMHJJSKSEOLV-GIJQJNRQSA-N 0 0 379.441 4.268 40 10 GICBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000409018811 533265031 /nfs/dbraw/zinc/26/50/31/533265031.db2.gz ZIXAWZFCWIGQFM-UNOMPAQXSA-N 0 0 378.472 4.013 40 10 GICBRN O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(N2CCCCC2)cc1 ZINC000223828654 136205898 /nfs/dbraw/zinc/20/58/98/136205898.db2.gz CONXKRFTRGZFCN-UHFFFAOYSA-N 0 0 378.516 4.251 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000408708801 533720375 /nfs/dbraw/zinc/72/03/75/533720375.db2.gz SYQAYKLJILPLLZ-HXUWFJFHSA-N 0 0 387.483 4.081 40 10 GICBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S ZINC000409204914 533726692 /nfs/dbraw/zinc/72/66/92/533726692.db2.gz LYBKRGKDGKGSDK-ZSOIEALJSA-N 0 0 393.877 4.204 40 10 GICBRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 ZINC000408800441 533882762 /nfs/dbraw/zinc/88/27/62/533882762.db2.gz PNDIXLHEDNQVFO-UHFFFAOYSA-N 0 0 388.900 4.178 40 10 GICBRN COc1ccc(N2C(=O)/C(=C\c3cccc(C)n3)SC2=S)cc1Cl ZINC000409338166 533995066 /nfs/dbraw/zinc/99/50/66/533995066.db2.gz FCOOQHNESMTZDY-OVCLIPMQSA-N 0 0 376.890 4.458 40 10 GICBRN CC(NCCc1ccc(Cl)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000103916380 527539575 /nfs/dbraw/zinc/53/95/75/527539575.db2.gz QUWAYQSNFORRLR-UYRXBGFRSA-N 0 0 398.850 4.077 40 10 GICBRN CC(NCc1ccco1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112119443 527540420 /nfs/dbraw/zinc/54/04/20/527540420.db2.gz ITNPYPZORPGZAS-HKWRFOASSA-N 0 0 375.403 4.233 40 10 GICBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1cccs1 ZINC000103918606 528065644 /nfs/dbraw/zinc/06/56/44/528065644.db2.gz GUBIJJRNPPXRQK-HKWRFOASSA-N 0 0 383.517 4.366 40 10 GICBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)SC1=S ZINC000113834923 528163521 /nfs/dbraw/zinc/16/35/21/528163521.db2.gz JBPOIWOEUXIYDI-LFIBNONCSA-N 0 0 387.482 4.344 40 10 GICBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O ZINC000409018368 529349975 /nfs/dbraw/zinc/34/99/75/529349975.db2.gz WORBHFTYHCNUTA-MBNTZHJCSA-N 0 0 397.500 4.028 40 10 GICBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1 ZINC000001180636 570255038 /nfs/dbraw/zinc/25/50/38/570255038.db2.gz GGSCOGVZVMPTFS-GHRIWEEISA-N 0 0 388.558 4.035 40 10 GICBRN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1C1CCCCC1 ZINC000047080697 570325776 /nfs/dbraw/zinc/32/57/76/570325776.db2.gz RBFOLTZUAWRTCQ-JXAWBTAJSA-N 0 0 388.558 4.057 40 10 GICBRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000001346170 570413730 /nfs/dbraw/zinc/41/37/30/570413730.db2.gz UGKWOQOOXLCXIM-KBPBESRZSA-N 0 0 398.488 4.273 40 10 GICBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C)cc1 ZINC000222737577 570422881 /nfs/dbraw/zinc/42/28/81/570422881.db2.gz FIBUKRWRQGBSAQ-RTWAWAEBSA-N 0 0 376.529 4.400 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000222781802 570425553 /nfs/dbraw/zinc/42/55/53/570425553.db2.gz APGOAGLBNPYBLT-SFTDATJTSA-N 0 0 376.529 4.482 40 10 GICBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccn1 ZINC000222819058 570427646 /nfs/dbraw/zinc/42/76/46/570427646.db2.gz QAYQIEQAZBAKGW-SFTDATJTSA-N 0 0 391.544 4.265 40 10 GICBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222863814 570429393 /nfs/dbraw/zinc/42/93/93/570429393.db2.gz POVMMFLIVMYNAZ-SFTDATJTSA-N 0 0 391.544 4.267 40 10 GICBRN Cn1c(C=C2SC(Nc3ccc(F)c(Cl)c3)=NC2=O)nc2ccccc21 ZINC000005236025 570432006 /nfs/dbraw/zinc/43/20/06/570432006.db2.gz MAIFPBVCIDYKMA-OQLLNIDSSA-N 0 0 386.839 4.448 40 10 GICBRN COC(=O)c1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 ZINC000005371718 570435523 /nfs/dbraw/zinc/43/55/23/570435523.db2.gz ZMKOJOMRXUXORQ-BOPFTXTBSA-N 0 0 397.477 4.082 40 10 GICBRN COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408760964 570470192 /nfs/dbraw/zinc/47/01/92/570470192.db2.gz BMUMXNIJXSUIOX-KGENOOAVSA-N 0 0 388.398 4.374 40 10 GICBRN COc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000225657740 570599032 /nfs/dbraw/zinc/59/90/32/570599032.db2.gz LCZCVBZMVBWNNU-INIZCTEOSA-N 0 0 384.549 4.374 40 10 GICBRN CCOC(=O)c1cccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)c1 ZINC000225734338 570610783 /nfs/dbraw/zinc/61/07/83/570610783.db2.gz VYOAGHPZCSPCCP-UHFFFAOYSA-N 0 0 399.560 4.375 40 10 GICBRN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000004959411 570648699 /nfs/dbraw/zinc/64/86/99/570648699.db2.gz SYIBZGJJUGLAAE-AVYPCKFXSA-N 0 0 382.416 4.447 40 10 GICBRN Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000059138707 570650655 /nfs/dbraw/zinc/65/06/55/570650655.db2.gz NLWPRSKETUDWGA-QNGOZBTKSA-N 0 0 399.450 4.103 40 10 GICBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000004959538 570653458 /nfs/dbraw/zinc/65/34/58/570653458.db2.gz HLPFWSVVQWOJLB-MDOVXXIYSA-N 0 0 382.416 4.447 40 10 GICBRN COc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260622227 570670809 /nfs/dbraw/zinc/67/08/09/570670809.db2.gz RXUBOCRQFCAMKE-ZWKOTPCHSA-N 0 0 382.504 4.188 40 10 GICBRN C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260504041 570672330 /nfs/dbraw/zinc/67/23/30/570672330.db2.gz CDMRMQPAXXTGJQ-ROUUACIJSA-N 0 0 394.515 4.462 40 10 GICBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCCC2)cc1 ZINC000013675415 570771660 /nfs/dbraw/zinc/77/16/60/570771660.db2.gz ZXRNHZIFKNLLIW-UHFFFAOYSA-N 0 0 399.516 4.135 40 10 GICBRN CC(NC1CCCC1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017079626 570918063 /nfs/dbraw/zinc/91/80/63/570918063.db2.gz OPVUAGZXKKJBEO-HKWRFOASSA-N 0 0 390.443 4.152 40 10 GICBRN Cc1ccc(NC(=O)c2cnn3c2[nH]c(Cc2c[nH]c4ccccc24)cc3=O)cc1 ZINC000019210710 570960638 /nfs/dbraw/zinc/96/06/38/570960638.db2.gz CUGAMHSIACFAHB-UHFFFAOYSA-N 0 0 397.438 4.068 40 10 GICBRN CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001276539 570987577 /nfs/dbraw/zinc/98/75/77/570987577.db2.gz QIFGRSCSSPOLSQ-SDQBBNPISA-N 0 0 390.313 4.146 40 10 GICBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000038178688 821094528 /nfs/dbraw/zinc/09/45/28/821094528.db2.gz RTVAGDUYMIQKKW-UYRXBGFRSA-N 0 0 377.440 4.161 40 10 GICBRN COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1 ZINC000039132431 821103837 /nfs/dbraw/zinc/10/38/37/821103837.db2.gz ZCEIJVSIZUSJFI-CPNJWEJPSA-N 0 0 398.418 4.258 40 10 GICBRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 ZINC000222596039 222610244 /nfs/dbraw/zinc/61/02/44/222610244.db2.gz OQRHWIDRFFMJAW-ONGXBYRLSA-N 0 0 394.544 4.280 40 10 GICBRN COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1O ZINC000113830395 231022485 /nfs/dbraw/zinc/02/24/85/231022485.db2.gz ZMDDJTLZSWWMQC-OQLLNIDSSA-N 0 0 377.874 4.460 40 10 GICBRN COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(OC)c1 ZINC000408970606 231138368 /nfs/dbraw/zinc/13/83/68/231138368.db2.gz JDBIIYJEEYRUNY-GDNBJRDFSA-N 0 0 376.334 4.052 40 10 GICBRN CCc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 ZINC000409070738 529584405 /nfs/dbraw/zinc/58/44/05/529584405.db2.gz NDTKAELNOLATAE-ZHZULCJRSA-N 0 0 377.440 4.135 40 10 GICBRN COc1cccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c1OC ZINC000001260322 212232190 /nfs/dbraw/zinc/23/21/90/212232190.db2.gz XWHKTTTWAJEHMO-XNTDXEJSSA-N 0 0 375.446 4.249 40 10 GICBRN COc1cc(N2CCCCC2)ccc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000409235641 532953671 /nfs/dbraw/zinc/95/36/71/532953671.db2.gz CRAPJPGVTGLLSW-RCCKNPSSSA-N 0 0 375.472 4.492 40 10 GICBRN CC1=NN2C(=NC(=O)C[C@H]2c2ccccc2)N=C1C=Cc1ccc(N(C)C)cc1 ZINC000005735242 220894715 /nfs/dbraw/zinc/89/47/15/220894715.db2.gz FORGHULRCDUSAG-KVDXNUTJSA-N 0 0 385.471 4.409 40 10 GICBRN O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccc(Cl)cc1 ZINC000016669831 221367407 /nfs/dbraw/zinc/36/74/07/221367407.db2.gz ZHFRUUBEFOMWQY-GSPDUGTFSA-N 0 0 390.873 4.035 40 10 GICBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000408984525 533267700 /nfs/dbraw/zinc/26/77/00/533267700.db2.gz IVCLKIOVALFHCZ-WQRHYEAKSA-N 0 0 383.831 4.226 40 10 GICBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000409002588 533264938 /nfs/dbraw/zinc/26/49/38/533264938.db2.gz VICVJSHHAGAYJN-NDENLUEZSA-N 0 0 376.456 4.078 40 10 GICBRN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(C)=O ZINC000409330215 533473350 /nfs/dbraw/zinc/47/33/50/533473350.db2.gz JUZHOERIGTYVHG-WOJGMQOQSA-N 0 0 399.493 4.022 40 10 GICBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC(C)=O ZINC000409335888 533473391 /nfs/dbraw/zinc/47/33/91/533473391.db2.gz ZKTQJWBCKNWDGY-WOJGMQOQSA-N 0 0 399.493 4.335 40 10 GICBRN Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCc2ccccc21 ZINC000000924797 136193078 /nfs/dbraw/zinc/19/30/78/136193078.db2.gz BUUJYPMPKAKSKX-UHFFFAOYSA-N 0 0 381.476 4.298 40 10 GICBRN COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000218175358 136203652 /nfs/dbraw/zinc/20/36/52/136203652.db2.gz TZOFTBAJPOCNAW-IAGOWNOFSA-N 0 0 382.504 4.431 40 10 GICBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCCC2)nc1 ZINC000223952197 136206069 /nfs/dbraw/zinc/20/60/69/136206069.db2.gz UPTHJWXGJGWEND-UHFFFAOYSA-N 0 0 395.576 4.159 40 10 GICBRN Cc1c(C)c(N2CCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2SCCN21 ZINC000096184283 222396963 /nfs/dbraw/zinc/39/69/63/222396963.db2.gz MHARJESMGJTFOU-SFTDATJTSA-N 0 0 378.545 4.499 40 10 GICBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000408708036 533720319 /nfs/dbraw/zinc/72/03/19/533720319.db2.gz NNVSTBQAHZSKIC-KRWDZBQOSA-N 0 0 391.446 4.225 40 10 GICBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000409205677 533727701 /nfs/dbraw/zinc/72/77/01/533727701.db2.gz JKHXTAZDWGASQB-NTEUORMPSA-N 0 0 393.331 4.405 40 10 GICBRN COc1ccc(N2C(=O)/C(=C\c3coc4ccccc4c3=O)SC2=S)cc1 ZINC000409383606 533993830 /nfs/dbraw/zinc/99/38/30/533993830.db2.gz YAHMUQCSPNRIQO-LICLKQGHSA-N 0 0 395.461 4.207 40 10 GICBRN COc1ccccc1C1=N/C(=C/c2cccs2)C(=O)N1c1ccc(O)cc1 ZINC000408847872 534004082 /nfs/dbraw/zinc/00/40/82/534004082.db2.gz VODXIJFYYFYAMT-QGOAFFKASA-N 0 0 376.437 4.297 40 10 GICBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(C)c1 ZINC000014415148 528615803 /nfs/dbraw/zinc/61/58/03/528615803.db2.gz PNHANZSPFDSYQW-PGMHBOJBSA-N 0 0 375.468 4.300 40 10 GICBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408768404 528616456 /nfs/dbraw/zinc/61/64/56/528616456.db2.gz IQKOEAVQDMVUOO-UNOMPAQXSA-N 0 0 379.456 4.264 40 10 GICBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)cc2F)S1 ZINC000222593415 570415850 /nfs/dbraw/zinc/41/58/50/570415850.db2.gz OZHHLQRZIWMION-UAOJZALGSA-N 0 0 382.508 4.410 40 10 GICBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 ZINC000222741705 570423533 /nfs/dbraw/zinc/42/35/33/570423533.db2.gz JXVAIBMGYSPKLG-SFTDATJTSA-N 0 0 392.528 4.100 40 10 GICBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000222809318 570427010 /nfs/dbraw/zinc/42/70/10/570427010.db2.gz WASLMISPPKOBFP-SFTDATJTSA-N 0 0 392.528 4.182 40 10 GICBRN COc1ccc(CCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 ZINC000005371299 570435346 /nfs/dbraw/zinc/43/53/46/570435346.db2.gz BHJMCELMGQJXTQ-AQTBWJFISA-N 0 0 385.510 4.148 40 10 GICBRN COc1cccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1OC ZINC000005371341 570435527 /nfs/dbraw/zinc/43/55/27/570435527.db2.gz KJXRJGMFJVFMEE-BOPFTXTBSA-N 0 0 399.493 4.312 40 10 GICBRN O=C(c1cccnc1)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000005580199 570447345 /nfs/dbraw/zinc/44/73/45/570447345.db2.gz BHDBSQMIGNPXLW-MLPAPPSSSA-N 0 0 395.292 4.430 40 10 GICBRN CN(C)[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000035316632 570470245 /nfs/dbraw/zinc/47/02/45/570470245.db2.gz QJAFHPOCFDXTJT-NRFANRHFSA-N 0 0 385.939 4.249 40 10 GICBRN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260466530 570494187 /nfs/dbraw/zinc/49/41/87/570494187.db2.gz TZOFTBAJPOCNAW-IRXDYDNUSA-N 0 0 382.504 4.431 40 10 GICBRN CC(C)c1nnc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)o1 ZINC000036752387 570569809 /nfs/dbraw/zinc/56/98/09/570569809.db2.gz WRKVZIPILDIGIY-QGZVFWFLSA-N 0 0 384.524 4.239 40 10 GICBRN FC(F)(F)c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000225420584 570572426 /nfs/dbraw/zinc/57/24/26/570572426.db2.gz AHZGFKGVQSIVNP-UHFFFAOYSA-N 0 0 395.450 4.029 40 10 GICBRN Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000225598302 570592323 /nfs/dbraw/zinc/59/23/23/570592323.db2.gz HRJGUTYATPZAFK-MRXNPFEDSA-N 0 0 376.497 4.164 40 10 GICBRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225695002 570604621 /nfs/dbraw/zinc/60/46/21/570604621.db2.gz ADKCYOUFXPSMCH-INIZCTEOSA-N 0 0 397.544 4.429 40 10 GICBRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4ccnc4)cc3)cc2)C1 ZINC000044855833 570636703 /nfs/dbraw/zinc/63/67/03/570636703.db2.gz BOOBCMGNUXVWMY-LJQANCHMSA-N 0 0 388.515 4.098 40 10 GICBRN O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000054284418 570677213 /nfs/dbraw/zinc/67/72/13/570677213.db2.gz UDGLDFGSKWYRNU-UHFFFAOYSA-N 0 0 393.314 4.079 40 10 GICBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000409052010 570696193 /nfs/dbraw/zinc/69/61/93/570696193.db2.gz FUVTZHOEIDERNQ-NDENLUEZSA-N 0 0 378.472 4.013 40 10 GICBRN CC(NC(C)(C)C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000017077361 570916894 /nfs/dbraw/zinc/91/68/94/570916894.db2.gz WGJKETDFWHZRAS-JXAWBTAJSA-N 0 0 378.432 4.008 40 10 GICBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NC(C)(C)C)cc1 ZINC000017077957 570917169 /nfs/dbraw/zinc/91/71/69/570917169.db2.gz DSDVYMBETZIGAQ-RGEXLXHISA-N 0 0 381.451 4.247 40 10 GICBRN