smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC ZINC000006350832 493960296 /nfs/dbraw/zinc/96/02/96/493960296.db2.gz XNEGZVHIOZRQJA-XNTDXEJSSA-N 0 1 372.808 3.209 40 10 FGCBMN CCCCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000032109811 493976120 /nfs/dbraw/zinc/97/61/20/493976120.db2.gz FWEYSBWFZXBCIR-LGMDPLHJSA-N 0 1 366.417 3.336 40 10 FGCBMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000408722096 499594601 /nfs/dbraw/zinc/59/46/01/499594601.db2.gz DJXQHZXCMXXKJC-NTEUORMPSA-N 0 1 372.833 3.180 40 10 FGCBMN CCc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000217031473 523914937 /nfs/dbraw/zinc/91/49/37/523914937.db2.gz LWWJHJJBYSRSMH-UHFFFAOYSA-N 0 1 365.521 3.250 40 10 FGCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 ZINC000408886965 570695292 /nfs/dbraw/zinc/69/52/92/570695292.db2.gz KMYOCMTYXXBLCN-ATVHPVEESA-N 0 1 374.421 3.377 40 10 FGCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100548271 206224115 /nfs/dbraw/zinc/22/41/15/206224115.db2.gz OCGSJYWQLGXTJR-UVTDQMKNSA-N 0 1 367.321 3.222 40 10 FGCBMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409125682 570729869 /nfs/dbraw/zinc/72/98/69/570729869.db2.gz DSWPHKRHILURQJ-RVDMUPIBSA-N 0 1 366.442 3.143 40 10 FGCBMN CCOc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC ZINC000001140168 493785788 /nfs/dbraw/zinc/78/57/88/493785788.db2.gz CTSDIUSBFIYCKR-DHDCSXOGSA-N 0 1 372.808 3.209 40 10 FGCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCCC2)o1 ZINC000035362295 494075098 /nfs/dbraw/zinc/07/50/98/494075098.db2.gz OBBKZPVAGZOJON-VKAVYKQESA-N 0 1 351.406 3.121 40 10 FGCBMN CC1=Nc2ccccc2[C@H]1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000100925021 495067020 /nfs/dbraw/zinc/06/70/20/495067020.db2.gz DGNJZOUDHYRKGL-KFXIKWRMSA-N 0 1 351.406 3.214 40 10 FGCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1cccc2ccccc21 ZINC000408547093 499591876 /nfs/dbraw/zinc/59/18/76/499591876.db2.gz UOVAHZGRCSWOAT-WJDWOHSUSA-N 0 1 361.357 3.007 40 10 FGCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1C ZINC000409220732 570742380 /nfs/dbraw/zinc/74/23/80/570742380.db2.gz FAHFYGQHNBCFSI-MHWRWJLKSA-N 0 1 367.474 3.090 40 10 FGCBMN COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc([N+](=O)[O-])c1O ZINC000036250247 204368841 /nfs/dbraw/zinc/36/88/41/204368841.db2.gz UKZLWPJLXLAXOX-OVCLIPMQSA-N 0 1 367.361 3.424 40 10 FGCBMN COCCn1c(C)cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c1C ZINC000002314450 206229254 /nfs/dbraw/zinc/22/92/54/206229254.db2.gz NCOARQBZBTXEMN-SFQUDFHCSA-N 0 1 373.453 3.386 40 10 FGCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000409228101 263543571 /nfs/dbraw/zinc/54/35/71/263543571.db2.gz UCUXLJUAUXCNJZ-LFIBNONCSA-N 0 1 366.442 3.143 40 10 FGCBMN COc1cc(-n2[nH]c(C)c(C=Nc3c(C)n[nH]c3C)c2=O)ccc1Cl ZINC000059858471 493909466 /nfs/dbraw/zinc/90/94/66/493909466.db2.gz DJXNVWOCAWGHBT-JYRVWZFOSA-N 0 1 359.817 3.407 40 10 FGCBMN CC[C@H](C)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000109425803 494871937 /nfs/dbraw/zinc/87/19/37/494871937.db2.gz OOVJGJKGUBXBCM-MFVBVHDHSA-N 0 1 367.405 3.368 40 10 FGCBMN CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000409250712 263547162 /nfs/dbraw/zinc/54/71/62/263547162.db2.gz XYNWGEMDQLDKNI-NTCAYCPXSA-N 0 1 366.442 3.225 40 10 FGCBMN CCC(CC)COC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000000828462 206134411 /nfs/dbraw/zinc/13/44/11/206134411.db2.gz JUFINDPJIJGXPY-GOSISDBHSA-N 0 1 359.470 3.360 40 10 FGCBMN Cc1ccc(N2C(=O)C(=CNc3ccccc3)C(=O)NC2=S)cc1Cl ZINC000101653089 132234163 /nfs/dbraw/zinc/23/41/63/132234163.db2.gz GJXOIIZPNVGLRH-GXDHUFHOSA-N 0 1 371.849 3.392 40 10 FGCBMN CCCCc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000408547046 499591967 /nfs/dbraw/zinc/59/19/67/499591967.db2.gz HQDITJRHRFLJBO-ATVHPVEESA-N 0 1 367.405 3.197 40 10 FGCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(C)cc3)C(=O)NC2=S)c1 ZINC000408741196 263495133 /nfs/dbraw/zinc/49/51/33/263495133.db2.gz OKCHJQAYMXOLDT-GZTJUZNOSA-N 0 1 366.442 3.225 40 10 FGCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000002210690 493803396 /nfs/dbraw/zinc/80/33/96/493803396.db2.gz ZBBFKCJCVGSYEG-LFIBNONCSA-N 0 1 362.341 3.202 40 10 FGCBMN CC1=NC(=O)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCc1ccccc1 ZINC000000820538 206135135 /nfs/dbraw/zinc/13/51/35/206135135.db2.gz KJFPHPYOAYAOMX-LJQANCHMSA-N 0 1 365.433 3.124 40 10 FGCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C ZINC000016607374 494396426 /nfs/dbraw/zinc/39/64/26/494396426.db2.gz QPAPQRFSPBUJAU-ZJYZBMPFSA-N 0 1 358.401 3.374 40 10 FGCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000408776287 499594833 /nfs/dbraw/zinc/59/48/33/499594833.db2.gz YHLWFKJJLUNQPL-MDWZMJQESA-N 0 1 372.833 3.185 40 10 FGCBMN CC(C)Oc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408866732 570693773 /nfs/dbraw/zinc/69/37/73/570693773.db2.gz IFVSYMMUWGUBST-VBKFSLOCSA-N 0 1 366.442 3.305 40 10 FGCBMN COc1ccc(-c2cc(CC3(NCc4ccccc4O)COC3)no2)cc1 ZINC000072321960 208185638 /nfs/dbraw/zinc/18/56/38/208185638.db2.gz UPNDOZYFVIOPEX-UHFFFAOYSA-N 0 1 366.417 3.157 40 10 biogenic,in-vitro FGCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 ZINC000059135703 493902952 /nfs/dbraw/zinc/90/29/52/493902952.db2.gz IKUHVQCOENWFSE-FMIVXFBMSA-N 0 1 371.349 3.406 40 10 FGCBMN CCCCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S ZINC000036613180 494092405 /nfs/dbraw/zinc/09/24/05/494092405.db2.gz COAPDRVFGYDAJN-XYOKQWHBSA-N 0 1 368.436 3.310 40 10 FGCBMN Cc1ccnc(NS(=O)(=O)c2ccc(NN=C3N=CC=CC3=O)cc2)n1 ZINC000017949551 220219898 /nfs/dbraw/zinc/21/98/98/220219898.db2.gz SKYMKWHKGCGRJP-QZQOTICOSA-N 0 1 370.394 3.102 40 10 FGCBMN CCc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)C(=O)NC2=S)cc1 ZINC000409378733 263553844 /nfs/dbraw/zinc/55/38/44/263553844.db2.gz QYGNOPBJIHCEFB-SFQUDFHCSA-N 0 1 350.443 3.389 40 10 FGCBMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000012372477 494227554 /nfs/dbraw/zinc/22/75/54/494227554.db2.gz FNBFRLHMLNLQLA-JYRVWZFOSA-N 0 1 368.784 3.228 40 10 FGCBMN COc1cccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1O ZINC000032116534 493976054 /nfs/dbraw/zinc/97/60/54/493976054.db2.gz PDEWAKXZNLQMSO-LCYFTJDESA-N 0 1 372.377 3.212 40 10 FGCBMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409233994 570744571 /nfs/dbraw/zinc/74/45/71/570744571.db2.gz VIMKXNPFXNJSNL-RVDMUPIBSA-N 0 1 366.442 3.143 40 10 FGCBMN C[C@@H]1Cc2cc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)ccc2O1 ZINC000005881057 207120777 /nfs/dbraw/zinc/12/07/77/207120777.db2.gz QYMOUTRWFZLVKJ-WIWNTQSISA-N 0 1 354.793 3.125 40 10 FGCBMN CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409409938 263556755 /nfs/dbraw/zinc/55/67/55/263556755.db2.gz XXBQAZHBGDIXNB-ZROIWOOFSA-N 0 1 372.808 3.209 40 10 FGCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(N2CCCC2)cc1 ZINC000033634252 494062174 /nfs/dbraw/zinc/06/21/74/494062174.db2.gz IZMLQGQBOKHTFV-SFQUDFHCSA-N 0 1 365.389 3.382 40 10 FGCBMN Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c(C)c1 ZINC000409148982 570732401 /nfs/dbraw/zinc/73/24/01/570732401.db2.gz VJWXCCLIZSXZDE-ZXPNPXPCSA-N 0 1 352.415 3.284 40 10 FGCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1C ZINC000409240834 570743620 /nfs/dbraw/zinc/74/36/20/570743620.db2.gz IJVVGRIQWQUXHN-RVDMUPIBSA-N 0 1 366.442 3.143 40 10 FGCBMN CN1CCN(c2ccc(CNC(=O)CCSc3ccccc3)cc2)CC1 ZINC000216929473 523925621 /nfs/dbraw/zinc/92/56/21/523925621.db2.gz PQCLPTQVBVROMI-UHFFFAOYSA-N 0 1 369.534 3.237 40 10 FGCBMN CC(C)(C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000108013523 494635000 /nfs/dbraw/zinc/63/50/00/494635000.db2.gz QAYLPUQDBKDJLP-LFIBNONCSA-N 0 1 352.390 3.239 40 10 FGCBMN COc1cc(-n2[nH]c(C)c(C=Nc3c(C)nn(C)c3C)c2=O)ccc1Cl ZINC000408755209 499594800 /nfs/dbraw/zinc/59/48/00/499594800.db2.gz BXUARDDAUDOWJD-NTEUORMPSA-N 0 1 373.844 3.417 40 10 FGCBMN O=C1NC(=O)C(=Cc2c(Cc3cccc(F)c3)ccc3ccccc32)C(=O)N1 ZINC000408876515 570694866 /nfs/dbraw/zinc/69/48/66/570694866.db2.gz POZDTCXHSAKFOI-UHFFFAOYSA-N 0 1 374.371 3.319 40 10 FGCBMN Cc1ccnc(NS(=O)(=O)c2ccc(NN=C3N=CC=CC3=O)cc2)n1 ZINC000104124382 222350711 /nfs/dbraw/zinc/35/07/11/222350711.db2.gz SKYMKWHKGCGRJP-MRCUWXFGSA-N 0 1 370.394 3.102 40 10 FGCBMN N#CCOc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000034835250 494069523 /nfs/dbraw/zinc/06/95/23/494069523.db2.gz YNDFOZZGWWXWTQ-RGEXLXHISA-N 0 1 369.380 3.204 40 10 FGCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 ZINC000409237529 570743122 /nfs/dbraw/zinc/74/31/22/570743122.db2.gz VBLIISZTNPCPOT-MDWZMJQESA-N 0 1 360.822 3.381 40 10 FGCBMN CC[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409410096 570757194 /nfs/dbraw/zinc/75/71/94/570757194.db2.gz YVADJXIDFGBAFH-VMOJBDSFSA-N 0 1 366.417 3.334 40 10 FGCBMN COc1cccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O ZINC000059135689 493902778 /nfs/dbraw/zinc/90/27/78/493902778.db2.gz IMYRRHDFCGKEBQ-LUAWRHEFSA-N 0 1 372.377 3.212 40 10 FGCBMN C=CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000107920257 494623060 /nfs/dbraw/zinc/62/30/60/494623060.db2.gz XRPKUIINCTZFMG-PTNGSMBKSA-N 0 1 354.793 3.366 40 10 FGCBMN Cc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000225775517 132286521 /nfs/dbraw/zinc/28/65/21/132286521.db2.gz GBVNXNMPFMRKJA-UHFFFAOYSA-N 0 1 354.523 3.233 40 10 FGCBMN COc1ccc(N2C(=O)C(=Cc3ccc(O)cc3)C(=O)NC2=S)cc1 ZINC000038180991 494111762 /nfs/dbraw/zinc/11/17/62/494111762.db2.gz BHRMMFLIPGCPOU-GDNBJRDFSA-N 0 1 354.387 3.072 40 10 FGCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccco1 ZINC000408722327 499594657 /nfs/dbraw/zinc/59/46/57/499594657.db2.gz HGLYAGKANGTOCS-JXMROGBWSA-N 0 1 367.213 3.418 40 10 FGCBMN CCC(CC)COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(N(C)C)cc1 ZINC000000828461 219327422 /nfs/dbraw/zinc/32/74/22/219327422.db2.gz JUFINDPJIJGXPY-SFHVURJKSA-N 0 1 359.470 3.360 40 10 FGCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 ZINC000059135778 493902653 /nfs/dbraw/zinc/90/26/53/493902653.db2.gz RYOXGWAPXMETPU-FMIVXFBMSA-N 0 1 371.349 3.406 40 10 FGCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000409134607 570731061 /nfs/dbraw/zinc/73/10/61/570731061.db2.gz WOFKLMKCXUUAOG-LFIBNONCSA-N 0 1 366.442 3.143 40 10 FGCBMN CCN1C(=O)NC(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C1=O ZINC000001163442 219383865 /nfs/dbraw/zinc/38/38/65/219383865.db2.gz PKCSSTUWGJHRHQ-VZUCSPMQSA-N 0 1 362.183 3.252 40 10 FGCBMN CCN1C(=O)NC(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)C1=O ZINC000059109652 493902862 /nfs/dbraw/zinc/90/28/62/493902862.db2.gz XGGJXRFLGPHQGE-GZTJUZNOSA-N 0 1 366.417 3.356 40 10 FGCBMN CC(=C\c1ccco1)/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000408917611 499595268 /nfs/dbraw/zinc/59/52/68/499595268.db2.gz YIXHQLUEOIONIQ-ZLPZIFTNSA-N 0 1 356.378 3.196 40 10 FGCBMN CN1CCN(c2ccc(CNC(=O)/C=C/c3ccccc3Cl)cc2)CC1 ZINC000216926611 523926069 /nfs/dbraw/zinc/92/60/69/523926069.db2.gz YQWJXPZNIXDRBW-DHZHZOJOSA-N 0 1 369.896 3.421 40 10 FGCBMN Cc1cc(C)cc(Cc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)c1 ZINC000408878475 570694887 /nfs/dbraw/zinc/69/48/87/570694887.db2.gz BCIHKDUEZHOJEN-UHFFFAOYSA-N 0 1 368.820 3.297 40 10 FGCBMN Cc1ccc(C)c(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c1 ZINC000409246074 570745312 /nfs/dbraw/zinc/74/53/12/570745312.db2.gz DMPZNDYRHYWTQO-ZXPNPXPCSA-N 0 1 352.415 3.284 40 10 FGCBMN Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)o1 ZINC000409339514 263548977 /nfs/dbraw/zinc/54/89/77/263548977.db2.gz JJFQAENEXZBKPN-YRNVUSSQSA-N 0 1 350.446 3.196 40 10 FGCBMN CC[C@@H](C)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000109425797 494871737 /nfs/dbraw/zinc/87/17/37/494871737.db2.gz OOVJGJKGUBXBCM-GPLLRDDGSA-N 0 1 367.405 3.368 40 10 FGCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)c1 ZINC000408774282 499594929 /nfs/dbraw/zinc/59/49/29/499594929.db2.gz BXAKTXGEXPHDAU-MDWZMJQESA-N 0 1 372.833 3.185 40 10 FGCBMN CCCOc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408885257 263503944 /nfs/dbraw/zinc/50/39/44/263503944.db2.gz YJBWYLRMMLCPJM-SSZFMOIBSA-N 0 1 366.442 3.307 40 10 FGCBMN CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 ZINC000216927640 523925768 /nfs/dbraw/zinc/92/57/68/523925768.db2.gz SFJDIBNXIICCIA-IZZDOVSWSA-N 0 1 369.896 3.421 40 10 FGCBMN COc1ccc(N2CCN(C[C@@H](O)c3cn(C)c4ccccc34)CC2)cc1 ZINC000019290379 494441060 /nfs/dbraw/zinc/44/10/60/494441060.db2.gz YELZBQITRZYTKB-JOCHJYFZSA-N 0 1 365.477 3.043 40 10 FGCBMN N#[N+]C=C([O-])[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000307140511 571311647 /nfs/dbraw/zinc/31/16/47/571311647.db2.gz IWVACDCSYKSLKI-LJQANCHMSA-N 0 1 361.401 3.270 40 10 FGCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C ZINC000100049527 222233093 /nfs/dbraw/zinc/23/30/93/222233093.db2.gz QPAPQRFSPBUJAU-UZNZLNSGSA-N 0 1 358.401 3.374 40 10 FGCBMN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1O ZINC000101568103 222277743 /nfs/dbraw/zinc/27/77/43/222277743.db2.gz SARVXNONKJZWEN-SDQBBNPISA-N 0 1 368.436 3.166 40 10 FGCBMN CCn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 ZINC000409207783 570739229 /nfs/dbraw/zinc/73/92/29/570739229.db2.gz ZWXHVBDDSVQYDK-WJDWOHSUSA-N 0 1 351.406 3.066 40 10 FGCBMN CCCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000217013188 520335758 /nfs/dbraw/zinc/33/57/58/520335758.db2.gz YCQDEUGVMYLJTG-UHFFFAOYSA-N 0 1 367.493 3.157 40 10 FGCBMN COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408873809 570694405 /nfs/dbraw/zinc/69/44/05/570694405.db2.gz VYKHQSABUYGGON-UVTDQMKNSA-N 0 1 372.833 3.180 40 10 FGCBMN O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1cccs1 ZINC000409345112 570751699 /nfs/dbraw/zinc/75/16/99/570751699.db2.gz KHNOODYISBNDKU-XYOKQWHBSA-N 0 1 364.448 3.433 40 10 FGCBMN Oc1ccccc1CNC1(Cc2cc(-c3ccc(F)cc3)on2)COC1 ZINC000067897892 221303082 /nfs/dbraw/zinc/30/30/82/221303082.db2.gz MDDCDQXZZDOGDU-UHFFFAOYSA-N 0 1 354.381 3.288 40 10 biogenic,in-vitro FGCBMN Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3ccc(=O)[nH]c3)cc2)n1 ZINC000104124346 222350480 /nfs/dbraw/zinc/35/04/80/222350480.db2.gz TYXHQWIUGPWYLC-MRCUWXFGSA-N 0 1 370.394 3.102 40 10 FGCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1O ZINC000059136450 263416505 /nfs/dbraw/zinc/41/65/05/263416505.db2.gz PDYFLTWHDYHZRM-DHZHZOJOSA-N 0 1 372.377 3.212 40 10 FGCBMN CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000005593111 493936310 /nfs/dbraw/zinc/93/63/10/493936310.db2.gz WQVKADBMIWAFSP-ACCUITESSA-N 0 1 370.405 3.056 40 10 FGCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1F ZINC000033708835 494062194 /nfs/dbraw/zinc/06/21/94/494062194.db2.gz BJCMHWOKALDLTF-AQTBWJFISA-N 0 1 365.408 3.277 40 10 FGCBMN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=C[N+]#N ZINC000104841079 222361087 /nfs/dbraw/zinc/36/10/87/222361087.db2.gz BVQNUSIQJSEXIR-FQEVSTJZSA-N 0 1 363.417 3.419 40 10 FGCBMN Oc1c(O)c(Br)c(Br)c(Br)c1O ZINC000001747827 493798406 /nfs/dbraw/zinc/79/84/06/493798406.db2.gz ARJKUIKBPQATMT-UHFFFAOYSA-N 0 1 362.799 3.091 40 10 FGCBMN CC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1O)C2 ZINC000019453653 220257312 /nfs/dbraw/zinc/25/73/12/220257312.db2.gz LNWSWZQBPZDYFV-UHFFFAOYSA-N 0 1 352.482 3.464 40 10 FGCBMN Cc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000224235289 132282792 /nfs/dbraw/zinc/28/27/92/132282792.db2.gz DBXUTDBIGMTQGS-UHFFFAOYSA-N 0 1 365.521 3.304 40 10 FGCBMN [NH3+]Cc1c([O-])ccc2c1Oc1cc(O)ccc1[C@]21OC(=O)c2ccccc21 ZINC000035930902 494081682 /nfs/dbraw/zinc/08/16/82/494081682.db2.gz QXLIHCRNVNHDRU-NRFANRHFSA-N 0 1 361.353 3.125 40 10 FGCBMN CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000408994070 499595609 /nfs/dbraw/zinc/59/56/09/499595609.db2.gz YGNRZFWKAPMDGE-FOWTUZBSSA-N 0 1 366.442 3.225 40 10 FGCBMN Cc1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 ZINC000004718876 206182087 /nfs/dbraw/zinc/18/20/87/206182087.db2.gz MIDBIFHKQBAFHK-GDNBJRDFSA-N 0 1 357.207 3.219 40 10 FGCBMN CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC ZINC000034718827 494067880 /nfs/dbraw/zinc/06/78/80/494067880.db2.gz XNEGZVHIOZRQJA-GDNBJRDFSA-N 0 1 372.808 3.209 40 10 FGCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000408547099 499591874 /nfs/dbraw/zinc/59/18/74/499591874.db2.gz VWGTXPUIVGSSKJ-BOPFTXTBSA-N 0 1 361.357 3.007 40 10 FGCBMN CN1CCN(c2ccc(CNC(=S)Nc3ccc(F)cc3)cc2)CC1 ZINC000225776130 536421650 /nfs/dbraw/zinc/42/16/50/536421650.db2.gz RSNJVIOWSYJBJP-UHFFFAOYSA-N 0 1 358.486 3.064 40 10 FGCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408852832 570691989 /nfs/dbraw/zinc/69/19/89/570691989.db2.gz JBUYYRCUSIAGEL-VQHVLOKHSA-N 0 1 366.826 3.372 40 10 FGCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409245571 570744955 /nfs/dbraw/zinc/74/49/55/570744955.db2.gz VZLPGJZCQLCFMJ-SFQUDFHCSA-N 0 1 367.474 3.463 40 10 FGCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409088307 570721442 /nfs/dbraw/zinc/72/14/42/570721442.db2.gz KYKOTUKQADDAAE-JLHYYAGUSA-N 0 1 373.865 3.301 40 10 FGCBMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000169681361 206254529 /nfs/dbraw/zinc/25/45/29/206254529.db2.gz QKNFBKSBGSSLGK-KRWDZBQOSA-N 0 1 355.438 3.119 40 10 FGCBMN Cc1cc2c(cc1C=C1C(=O)NC(=O)NC1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223508016 132279693 /nfs/dbraw/zinc/27/96/93/132279693.db2.gz IBLMJWWSHUOUDJ-UHFFFAOYSA-N 0 1 367.449 3.155 40 10 FGCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)NC1=S ZINC000408780315 499594863 /nfs/dbraw/zinc/59/48/63/499594863.db2.gz XFGVZMGVQRZDLL-XYOKQWHBSA-N 0 1 372.833 3.185 40 10 FGCBMN COc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000408762733 499594981 /nfs/dbraw/zinc/59/49/81/499594981.db2.gz LBCSNDALYQMSJE-UVTDQMKNSA-N 0 1 372.833 3.180 40 10 FGCBMN CCOc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)NC2=S)cc1 ZINC000408993771 499595521 /nfs/dbraw/zinc/59/55/21/499595521.db2.gz FPDRBOFXUPWLFM-GXDHUFHOSA-N 0 1 372.471 3.287 40 10 FGCBMN CCc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)NC2=S)cc1 ZINC000408992341 499595570 /nfs/dbraw/zinc/59/55/70/499595570.db2.gz AIUWZSQSHGUMMN-GXDHUFHOSA-N 0 1 356.472 3.450 40 10 FGCBMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409134147 570730825 /nfs/dbraw/zinc/73/08/25/570730825.db2.gz MYJQMRHICPSAOI-RVDMUPIBSA-N 0 1 366.442 3.143 40 10 FGCBMN Cc1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000225775487 132286634 /nfs/dbraw/zinc/28/66/34/132286634.db2.gz YSZMBFDQXIXWMB-UHFFFAOYSA-N 0 1 354.523 3.233 40 10 FGCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000005947709 493946172 /nfs/dbraw/zinc/94/61/72/493946172.db2.gz WTNRNYFMMMWPEP-GZTJUZNOSA-N 0 1 367.405 3.425 40 10 FGCBMN CCc1ccc(N2C(=O)C(=Cc3ccc(O)c(O)c3)C(=O)NC2=S)cc1 ZINC000038177212 494111717 /nfs/dbraw/zinc/11/17/17/494111717.db2.gz ZQDTYLIANBRVOA-NTEUORMPSA-N 0 1 368.414 3.332 40 10 FGCBMN CCSc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217036897 521772830 /nfs/dbraw/zinc/77/28/30/521772830.db2.gz POYSZHTVONLYPB-UHFFFAOYSA-N 0 1 369.534 3.480 40 10 FGCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408997636 570709876 /nfs/dbraw/zinc/70/98/76/570709876.db2.gz HOWXNGNCFXFFOC-NVNXTCNLSA-N 0 1 371.824 3.148 40 10 FGCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1C ZINC000409088320 570721786 /nfs/dbraw/zinc/72/17/86/570721786.db2.gz LBAOEJYCCQLYPY-GZTJUZNOSA-N 0 1 367.474 3.265 40 10 FGCBMN Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000108995510 494818344 /nfs/dbraw/zinc/81/83/44/494818344.db2.gz MGWRVOLIJAFEJP-ATVHPVEESA-N 0 1 365.408 3.196 40 10 FGCBMN CN1CCN(c2ccc(CNC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000225634588 536421548 /nfs/dbraw/zinc/42/15/48/536421548.db2.gz OATVJOJDENYACD-UHFFFAOYSA-N 0 1 363.505 3.247 40 10 FGCBMN Cc1ccc(N2NC(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1C ZINC000000779677 206132979 /nfs/dbraw/zinc/13/29/79/206132979.db2.gz WNMHJUTWXNPPLZ-MKMNVTDBSA-N 0 1 370.792 3.147 40 10 FGCBMN Cc1cccc(NC=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)c1 ZINC000100962680 132233595 /nfs/dbraw/zinc/23/35/95/132233595.db2.gz VYQHAVCFOCWULI-RVDMUPIBSA-N 0 1 351.431 3.047 40 10 FGCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)cc1 ZINC000408787943 499594925 /nfs/dbraw/zinc/59/49/25/499594925.db2.gz BDORPJATBLGMAZ-GZTJUZNOSA-N 0 1 367.474 3.036 40 10 FGCBMN O=c1cc(C2CC[NH+](Cc3ccccc3O)CC2)nc(-c2ccccn2)[n-]1 ZINC000072392816 494162650 /nfs/dbraw/zinc/16/26/50/494162650.db2.gz GLSQQCFXEHVLTO-UHFFFAOYSA-N 0 1 362.433 3.329 40 10 FGCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409018110 499595833 /nfs/dbraw/zinc/59/58/33/499595833.db2.gz RFPCWKNQHHZSLM-MHWRWJLKSA-N 0 1 370.405 3.056 40 10 FGCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000409222263 570742697 /nfs/dbraw/zinc/74/26/97/570742697.db2.gz WKVULCJFQAAKQJ-FOWTUZBSSA-N 0 1 366.442 3.225 40 10 FGCBMN COc1ccc(N2CCN(C[C@H](O)c3cn(C)c4ccccc34)CC2)cc1 ZINC000019290380 494440852 /nfs/dbraw/zinc/44/08/52/494440852.db2.gz YELZBQITRZYTKB-QFIPXVFZSA-N 0 1 365.477 3.043 40 10 FGCBMN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2NC(=O)NC2=O)c1C ZINC000206089116 496974086 /nfs/dbraw/zinc/97/40/86/496974086.db2.gz GLFGUNRWWFKULM-QPEQYQDCSA-N 0 1 356.338 3.032 40 10 FGCBMN N#Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000033871434 494064412 /nfs/dbraw/zinc/06/44/12/494064412.db2.gz UCTXCEHGVGUESX-PDGQHHTCSA-N 0 1 355.353 3.280 40 10 FGCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)(C)C ZINC000034883078 494068830 /nfs/dbraw/zinc/06/88/30/494068830.db2.gz WAGAATKELMXRHE-VBKFSLOCSA-N 0 1 366.417 3.334 40 10 FGCBMN COc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1O ZINC000036613178 494092165 /nfs/dbraw/zinc/09/21/65/494092165.db2.gz SARVXNONKJZWEN-WUXMJOGZSA-N 0 1 368.436 3.166 40 10 FGCBMN CC(C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408872522 570694190 /nfs/dbraw/zinc/69/41/90/570694190.db2.gz FRYFJPRQVDRBEO-ATVHPVEESA-N 0 1 366.442 3.305 40 10 FGCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409145546 570732942 /nfs/dbraw/zinc/73/29/42/570732942.db2.gz QSYVHCLKHRHWIK-LFIBNONCSA-N 0 1 366.442 3.143 40 10 FGCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC ZINC000409404913 570757996 /nfs/dbraw/zinc/75/79/96/570757996.db2.gz FIGDTKLKSFHYHB-ZROIWOOFSA-N 0 1 372.808 3.209 40 10 FGCBMN CC1=Nc2ccccc2[C@@H]1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000100925020 209218535 /nfs/dbraw/zinc/21/85/35/209218535.db2.gz DGNJZOUDHYRKGL-YLQKULKDSA-N 0 1 351.406 3.214 40 10 FGCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccoc1 ZINC000409236144 263544589 /nfs/dbraw/zinc/54/45/89/263544589.db2.gz DLTJOBXIMPPQAT-WUXMJOGZSA-N 0 1 366.320 3.130 40 10 FGCBMN CCc1ccc(N2C(=O)/C(=C/c3ccccc3C)C(=O)NC2=S)cc1 ZINC000409379585 570755562 /nfs/dbraw/zinc/75/55/62/570755562.db2.gz XYQHHNHRBQNABL-SFQUDFHCSA-N 0 1 350.443 3.389 40 10 FGCBMN CN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2)CC1 ZINC000225311254 132284350 /nfs/dbraw/zinc/28/43/50/132284350.db2.gz CQHBXEWBYZCRMU-UHFFFAOYSA-N 0 1 371.912 3.341 40 10 FGCBMN [NH3+]Cc1c([O-])ccc2c1Oc1cc(O)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000035930900 208136721 /nfs/dbraw/zinc/13/67/21/208136721.db2.gz QXLIHCRNVNHDRU-OAQYLSRUSA-N 0 1 361.353 3.125 40 10 FGCBMN COc1ccc(N2CCC([N@@H+](CC(=O)[O-])Cc3ccccc3)CC2)cc1 ZINC000257299212 536670317 /nfs/dbraw/zinc/67/03/17/536670317.db2.gz RPDKBDHKBSAGRY-UHFFFAOYSA-N 0 1 354.450 3.251 40 10 FGCBMN O=C1NC(=O)C(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(=O)N1 ZINC000408799875 499595140 /nfs/dbraw/zinc/59/51/40/499595140.db2.gz IWSKYNWUPYBFEF-UHFFFAOYSA-N 0 1 372.380 3.168 40 10 FGCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O ZINC000038162840 535658758 /nfs/dbraw/zinc/65/87/58/535658758.db2.gz TZFZJRATRMFFRR-UVTDQMKNSA-N 0 1 368.414 3.463 40 10 FGCBMN COc1cc(CN2CCC(Oc3cnccn3)CC2)ccc1N1CCCC1 ZINC000036752796 494097428 /nfs/dbraw/zinc/09/74/28/494097428.db2.gz SHYNHOFPFFFSEB-UHFFFAOYSA-N 0 1 368.481 3.129 40 10 FGCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C ZINC000408781214 499594714 /nfs/dbraw/zinc/59/47/14/499594714.db2.gz BJTSSADCZLRXKM-LICLKQGHSA-N 0 1 367.474 3.090 40 10 FGCBMN CCOc1cc(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000107591888 495529354 /nfs/dbraw/zinc/52/93/54/495529354.db2.gz IQROREJVGOXBCX-ATVHPVEESA-N 0 1 366.417 3.254 40 10 FGCBMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000169681360 496716365 /nfs/dbraw/zinc/71/63/65/496716365.db2.gz QKNFBKSBGSSLGK-QGZVFWFLSA-N 0 1 355.438 3.119 40 10 FGCBMN Cc1ccc(SCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000216927852 525646189 /nfs/dbraw/zinc/64/61/89/525646189.db2.gz ZJVHBILKCACCOH-UHFFFAOYSA-N 0 1 369.534 3.155 40 10 FGCBMN COc1ccc(N2C(=O)C(=Cc3ccc(C)o3)C(=O)NC2=S)c(OC)c1 ZINC000000868439 536656459 /nfs/dbraw/zinc/65/64/59/536656459.db2.gz ASAOFYDUIVILKP-MDWZMJQESA-N 0 1 372.402 3.277 40 10 FGCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)c1 ZINC000409243790 570746235 /nfs/dbraw/zinc/74/62/35/570746235.db2.gz UHOSGFACLCMZBE-LFIBNONCSA-N 0 1 366.442 3.143 40 10 FGCBMN Cc1cc2c(cc1C=C1C(=O)NC(=O)NC1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223598566 132279524 /nfs/dbraw/zinc/27/95/24/132279524.db2.gz MIBPKEIQJJDUND-CYBMUJFWSA-N 0 1 369.465 3.245 40 10 FGCBMN CCc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000225776069 132286505 /nfs/dbraw/zinc/28/65/05/132286505.db2.gz AIOZICABFWLULC-UHFFFAOYSA-N 0 1 368.550 3.487 40 10 FGCBMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccccc1Br ZINC000408816515 263498427 /nfs/dbraw/zinc/49/84/27/263498427.db2.gz UALZKUDXRUGUQC-JYRVWZFOSA-N 0 1 360.211 3.037 40 10 FGCBMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000408812438 499595293 /nfs/dbraw/zinc/59/52/93/499595293.db2.gz ORYICWNLSKEKAM-AUWJEWJLSA-N 0 1 360.211 3.037 40 10 FGCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 ZINC000408968196 570705045 /nfs/dbraw/zinc/70/50/45/570705045.db2.gz XECGIBPUKGUVQX-YRNVUSSQSA-N 0 1 364.785 3.212 40 10 FGCBMN O=C1NC(=O)C(=Cc2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C(=O)N1 ZINC000004854409 493896688 /nfs/dbraw/zinc/89/66/88/493896688.db2.gz JGFJRCLVHKIQML-UHFFFAOYSA-N 0 1 361.697 3.098 40 10 FGCBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000409206449 570739318 /nfs/dbraw/zinc/73/93/18/570739318.db2.gz JTQSBRMJBGBZAP-ATVHPVEESA-N 0 1 364.401 3.253 40 10 FGCBMN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409410094 570757114 /nfs/dbraw/zinc/75/71/14/570757114.db2.gz YVADJXIDFGBAFH-MTOJCTJASA-N 0 1 366.417 3.334 40 10 FGCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccco1 ZINC000409236277 570742649 /nfs/dbraw/zinc/74/26/49/570742649.db2.gz GAPISNCEZKWPDF-XYOKQWHBSA-N 0 1 366.320 3.130 40 10 FGCBMN Oc1ccccc1CNC1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898189 211279567 /nfs/dbraw/zinc/27/95/67/211279567.db2.gz KRKZJLHWCZPSBW-UHFFFAOYSA-N 0 1 366.417 3.061 40 10 biogenic,in-vitro FGCBMN COc1cc(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000408883017 570695284 /nfs/dbraw/zinc/69/52/84/570695284.db2.gz PZDQPJKUWGRYEK-DHDCSXOGSA-N 0 1 372.833 3.180 40 10 FGCBMN CCCOc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000408934151 570701229 /nfs/dbraw/zinc/70/12/29/570701229.db2.gz CPGZZFGOGXPUKE-GHRIWEEISA-N 0 1 366.442 3.307 40 10 FGCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)C ZINC000409407530 570758196 /nfs/dbraw/zinc/75/81/96/570758196.db2.gz MLTVRDQEAYXZFB-ATVHPVEESA-N 0 1 366.417 3.334 40 10 FGCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1C ZINC000409236958 570743071 /nfs/dbraw/zinc/74/30/71/570743071.db2.gz INDNXJDEIZZMMT-UKTHLTGXSA-N 0 1 373.865 3.127 40 10 FGCBMN CCCN1C(=O)/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)SC1=S ZINC000409338343 570751574 /nfs/dbraw/zinc/75/15/74/570751574.db2.gz IEEHDVZLBSHUAK-XYOKQWHBSA-N 0 1 368.436 3.310 40 10 FGCBMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2noc(-c3cnccn3)n2)C1 ZINC000019293012 211214107 /nfs/dbraw/zinc/21/41/07/211214107.db2.gz FWXKSKYPVIHTMA-LBPRGKRZSA-N 0 1 371.828 3.265 40 10 FGCBMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2noc(-c3cnccn3)n2)C1 ZINC000019293012 211214111 /nfs/dbraw/zinc/21/41/11/211214111.db2.gz FWXKSKYPVIHTMA-LBPRGKRZSA-N 0 1 371.828 3.265 40 10 FGCBMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 ZINC000019293011 220246985 /nfs/dbraw/zinc/24/69/85/220246985.db2.gz FWXKSKYPVIHTMA-GFCCVEGCSA-N 0 1 371.828 3.265 40 10 FGCBMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 ZINC000019293011 220246991 /nfs/dbraw/zinc/24/69/91/220246991.db2.gz FWXKSKYPVIHTMA-GFCCVEGCSA-N 0 1 371.828 3.265 40 10 FGCBMN CC1=NC(=O)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCc1ccccc1 ZINC000006077277 493950720 /nfs/dbraw/zinc/95/07/20/493950720.db2.gz KJFPHPYOAYAOMX-IBGZPJMESA-N 0 1 365.433 3.124 40 10 FGCBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408998175 570710167 /nfs/dbraw/zinc/71/01/67/570710167.db2.gz TWNKAVSZAOQROH-UHFFFAOYSA-N 0 1 365.433 3.141 40 10 FGCBMN CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=C[N+]#N ZINC000306628608 571311584 /nfs/dbraw/zinc/31/15/84/571311584.db2.gz BVQNUSIQJSEXIR-HXUWFJFHSA-N 0 1 363.417 3.419 40 10 FGCBMN Cc1cc(C)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000225651871 132285694 /nfs/dbraw/zinc/28/56/94/132285694.db2.gz PPJXBROLOYXGPV-UHFFFAOYSA-N 0 1 351.494 3.294 40 10 FGCBMN C[C@H]1Cc2cc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)ccc2O1 ZINC000005881425 493945573 /nfs/dbraw/zinc/94/55/73/493945573.db2.gz QYMOUTRWFZLVKJ-RCEBRVLHSA-N 0 1 354.793 3.125 40 10 FGCBMN COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1O ZINC000408901645 570695938 /nfs/dbraw/zinc/69/59/38/570695938.db2.gz GYKKERSLBVWANT-OQLLNIDSSA-N 0 1 353.334 3.115 40 10 FGCBMN Cc1ccc(N2NC(=O)/C(=C\C=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000000779700 219320860 /nfs/dbraw/zinc/32/08/60/219320860.db2.gz ZVPZZPNUJOTKPN-MTEHDHEFSA-N 0 1 363.373 3.229 40 10 FGCBMN COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)C(=O)NC2=S)cc1 ZINC000408759388 499594897 /nfs/dbraw/zinc/59/48/97/499594897.db2.gz DFDMVGSWTKLHHQ-GDNBJRDFSA-N 0 1 372.833 3.180 40 10 FGCBMN CCCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408994404 499595554 /nfs/dbraw/zinc/59/55/54/499595554.db2.gz ZLXFSFMCNKZYFD-GHRIWEEISA-N 0 1 366.442 3.307 40 10 FGCBMN Cc1cccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c1C ZINC000409132796 570729427 /nfs/dbraw/zinc/72/94/27/570729427.db2.gz KCCDVBOMBIGGNN-YKVSOSGNSA-N 0 1 352.415 3.284 40 10 FGCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409250095 570745905 /nfs/dbraw/zinc/74/59/05/570745905.db2.gz WADWFYJBRXZQIE-NTEUORMPSA-N 0 1 373.865 3.301 40 10 FGCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409001656 570710977 /nfs/dbraw/zinc/71/09/77/570710977.db2.gz QBBSQPNSJBPSIB-PDGQHHTCSA-N 0 1 373.412 3.339 40 10 FGCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1C ZINC000409103179 499595724 /nfs/dbraw/zinc/59/57/24/499595724.db2.gz XGWHORMBNSUWQF-GZTJUZNOSA-N 0 1 367.474 3.265 40 10 FGCBMN CN1CCN(c2ccc(CNC(=S)Nc3ccccc3F)cc2)CC1 ZINC000225776102 536421212 /nfs/dbraw/zinc/42/12/12/536421212.db2.gz XIEYKHPGCLBZTR-UHFFFAOYSA-N 0 1 358.486 3.064 40 10 FGCBMN CCc1ccccc1N1C(=O)/C(=C/c2sccc2C)C(=O)NC1=S ZINC000409001644 570711041 /nfs/dbraw/zinc/71/10/41/570711041.db2.gz PVTJRYKMNUVZQS-JLHYYAGUSA-N 0 1 356.472 3.450 40 10 FGCBMN O=C(NC1=NC(=O)/C(=C/c2ccc(O)c(Cl)c2)S1)c1ccccc1 ZINC000409147711 263534198 /nfs/dbraw/zinc/53/41/98/263534198.db2.gz NLRPRHAEEJWQQF-ZROIWOOFSA-N 0 1 358.806 3.446 40 10 FGCBMN CCOc1cccc(N2C(=O)/C(=C/c3sccc3C)C(=O)NC2=S)c1 ZINC000409001405 570711017 /nfs/dbraw/zinc/71/10/17/570711017.db2.gz PPOKCINDMYSQIK-GXDHUFHOSA-N 0 1 372.471 3.287 40 10 FGCBMN Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3ccc(=O)[nH]c3)cc2)n1 ZINC000018324019 220231390 /nfs/dbraw/zinc/23/13/90/220231390.db2.gz TYXHQWIUGPWYLC-QZQOTICOSA-N 0 1 370.394 3.102 40 10 FGCBMN Cc1cc2c(cc1C=C1C(=O)NC(=O)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223598505 132279682 /nfs/dbraw/zinc/27/96/82/132279682.db2.gz MIBPKEIQJJDUND-ZDUSSCGKSA-N 0 1 369.465 3.245 40 10 FGCBMN CN1CCN(c2ccc(CNC(=S)Nc3cccc(F)c3)cc2)CC1 ZINC000225776355 536420918 /nfs/dbraw/zinc/42/09/18/536420918.db2.gz RTKBDIUSPLXPCK-UHFFFAOYSA-N 0 1 358.486 3.064 40 10 FGCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)cc1Cl ZINC000409237035 570743030 /nfs/dbraw/zinc/74/30/30/570743030.db2.gz VAZIUCAOELUDPR-RIYZIHGNSA-N 0 1 372.833 3.185 40 10 FGCBMN