smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(Cn2c3ccccc3nc2[C@H]2CNCCO2)cc1 ZINC000073225034 191296263 /nfs/dbraw/zinc/29/62/63/191296263.db2.gz XFQZALCRWJDNNK-QGZVFWFLSA-N 0 1 311.360 2.885 1 0 DFAFMN O=C1NN=C(c2c[nH]c3ccccc23)C[C@H]1NCc1ccccc1 ZINC000038159850 182994658 /nfs/dbraw/zinc/99/46/58/182994658.db2.gz XRBKJTOJCKAIQN-GOSISDBHSA-N 0 1 318.380 2.550 1 0 DFAFMN C[C@](N)(CO)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000040893832 183147440 /nfs/dbraw/zinc/14/74/40/183147440.db2.gz UQKBGOPMXTZJPU-INIZCTEOSA-N 0 1 320.776 2.781 1 0 DFAFMN CCCN1CCCC[C@@]1(C)c1nc2c(cccc2C(N)=O)[nH]1 ZINC000040980912 183154399 /nfs/dbraw/zinc/15/43/99/183154399.db2.gz TUJCKTUZCVMCML-KRWDZBQOSA-N 0 1 300.406 2.773 1 0 DFAFMN CC1(C)[C@@H]2CCC3=CC4=CC(=O)OC4C[C@@H]3[C@]2(C)CC(=O)[C@H]1O ZINC000070455074 560047747 /nfs/dbraw/zinc/04/77/47/560047747.db2.gz ZRFNHBGRLCSQDP-HEJKIZRWSA-N 0 1 316.397 2.561 1 0 biogenic,in-vitro DFAFMN CC[C@@H]1CN(Cc2cnc(C)[nH]2)Cc2cc(OC)ccc2O1 ZINC000019939675 182168160 /nfs/dbraw/zinc/16/81/60/182168160.db2.gz VVLDTHBMWKDKPA-OAHLLOKOSA-N 0 1 301.390 2.900 2 0 DFAFMN CC(C)[C@@](O)(c1cnc[nH]1)c1ccc2cc(C(N)=O)ccc2c1 ZINC000066066323 184386447 /nfs/dbraw/zinc/38/64/47/184386447.db2.gz TYNRBNIVUWDJAR-SFHVURJKSA-N 0 1 309.369 2.554 1 0 DFAFMN Cc1noc(-c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2)n1 ZINC000045302126 581094475 /nfs/dbraw/zinc/09/44/75/581094475.db2.gz BPNJEMFERBFYRB-UHFFFAOYSA-N 0 1 319.324 2.687 1 0 DFAFMN CCOc1ccc(N2C(=O)C[C@H](N3CCCCCC3)C2=O)cc1 ZINC000018004919 182089013 /nfs/dbraw/zinc/08/90/13/182089013.db2.gz LTXJYAOVQORNSK-INIZCTEOSA-N 0 1 316.401 2.593 1 0 DFAFMN N[C@@H](CCC(=O)OC1CCCCC1)C(=O)Cc1ccccc1 ZINC000021991949 182302393 /nfs/dbraw/zinc/30/23/93/182302393.db2.gz JYQGLOZIZHSBDA-INIZCTEOSA-N 0 1 303.402 2.782 2 0 DFAFMN COC(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1 ZINC000003956292 181058514 /nfs/dbraw/zinc/05/85/14/181058514.db2.gz UIWUVOLTFDUWIJ-UHFFFAOYSA-N 0 1 309.435 2.588 1 0 DFAFMN CN1CCN(c2nc(N)nc3cc(-c4ccccc4)ccc32)CC1 ZINC000073220159 191294853 /nfs/dbraw/zinc/29/48/53/191294853.db2.gz NGNHOAAALNOASV-UHFFFAOYSA-N 0 1 319.412 2.631 1 0 DFAFMN C[C@]1(c2ccc(Cl)cc2)NC(=NCCO)c2ccccc21 ZINC000006018581 181306433 /nfs/dbraw/zinc/30/64/33/181306433.db2.gz BTXODMFYERUALL-QGZVFWFLSA-N 0 1 300.789 2.946 1 0 DFAFMN CCCCc1[nH]nc2c1CN(C(=O)c1ccc(OCC)o1)CC2 ZINC000019835830 182154764 /nfs/dbraw/zinc/15/47/64/182154764.db2.gz JTEIYRMJAAIMSV-UHFFFAOYSA-N 0 1 317.389 2.943 2 0 DFAFMN CN1OC[C@@H]2CN(C)[C@H](c3cccc(Br)c3)C[C@@H]21 ZINC000061943077 184197795 /nfs/dbraw/zinc/19/77/95/184197795.db2.gz KCLXVTSSWHVWBN-UBHSHLNASA-N 0 1 311.223 2.688 3 0 DFAFMN CC(C)[C@](O)(c1cnc[nH]1)c1ccc2cc(C(N)=O)ccc2c1 ZINC000066066322 184386427 /nfs/dbraw/zinc/38/64/27/184386427.db2.gz TYNRBNIVUWDJAR-GOSISDBHSA-N 0 1 309.369 2.554 1 0 DFAFMN O=C(N[C@H]1COC2(CCCC2)C1)c1cn[nH]c1-c1cccs1 ZINC000020682775 182242725 /nfs/dbraw/zinc/24/27/25/182242725.db2.gz NNJNENIGBCPBQI-LLVKDONJSA-N 0 1 317.414 2.970 2 0 DFAFMN COc1cc(-c2nc(CN3CCCC3)co2)cc(OC)c1OC ZINC000072185899 191073836 /nfs/dbraw/zinc/07/38/36/191073836.db2.gz IGHHKGINDHPGCF-UHFFFAOYSA-N 0 1 318.373 2.963 1 0 DFAFMN CN(C[C@H]1CCc2nc(N)nc(N)c2C1)c1ccc(Cl)cc1 ZINC000003814880 181046844 /nfs/dbraw/zinc/04/68/44/181046844.db2.gz WNAGMBIEXCPQDC-JTQLQIEISA-N 0 1 317.824 2.536 1 0 DFAFMN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)N2CCF ZINC000073198714 191291751 /nfs/dbraw/zinc/29/17/51/191291751.db2.gz FPNSLRWYOLCRFD-JJXSEGSLSA-N 0 1 309.356 2.905 1 0 DFAFMN O=C(N[C@@H]1COC2(CCCC2)C1)c1cn[nH]c1-c1cccs1 ZINC000020682769 182243080 /nfs/dbraw/zinc/24/30/80/182243080.db2.gz NNJNENIGBCPBQI-NSHDSACASA-N 0 1 317.414 2.970 2 0 DFAFMN CN1CCc2cc(O)cc3c2[C@H]1Cc1cccc(OCCO)c1-3 ZINC000040410565 183062979 /nfs/dbraw/zinc/06/29/79/183062979.db2.gz FMNUYUVZQXAOTK-MRXNPFEDSA-N 0 1 311.381 2.515 1 0 DFAFMN Cc1c(O)c(C=O)c(O)c(C(=O)CCc2ccccc2)c1O ZINC000014815207 560226538 /nfs/dbraw/zinc/22/65/38/560226538.db2.gz HKKGGXRAYMJKFW-UHFFFAOYSA-N 0 1 300.310 2.740 1 0 biogenic,in-vitro DFAFMN O=C([O-])c1ccccc1C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000016958934 182066454 /nfs/dbraw/zinc/06/64/54/182066454.db2.gz NNMQFPYZEFVSFA-BBRMVZONSA-N 0 1 317.385 2.806 1 0 DFAFMN CCC[N@H+]1CCO[C@@H]2c3cc(C(=O)OCC)ccc3CC[C@H]21 ZINC000040937776 183149012 /nfs/dbraw/zinc/14/90/12/183149012.db2.gz DTNBLXRAVILHMO-IAGOWNOFSA-N 0 1 303.402 2.961 1 0 DFAFMN CCCN1CCO[C@@H]2c3cc(C(=O)OCC)ccc3CC[C@H]21 ZINC000040937776 183149015 /nfs/dbraw/zinc/14/90/15/183149015.db2.gz DTNBLXRAVILHMO-IAGOWNOFSA-N 0 1 303.402 2.961 1 0 DFAFMN O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(C3CC3)nc21 ZINC000064503706 184298831 /nfs/dbraw/zinc/29/88/31/184298831.db2.gz OUENCNZMGZDHGX-CQSZACIVSA-N 0 1 311.385 2.529 1 0 DFAFMN COc1ccc(CC2OC(=O)C=C2c2ccc(O)cc2O)cc1 ZINC000096902676 185390461 /nfs/dbraw/zinc/39/04/61/185390461.db2.gz BIOLMNGHEQESDD-QGZVFWFLSA-N 0 1 312.321 2.658 1 0 DFAFMN CCCCC[N@@H+]1CCc2nc(-c3cccnc3)[n-]c(=O)c2CC1 ZINC000019502213 182125739 /nfs/dbraw/zinc/12/57/39/182125739.db2.gz HCPPNJQIXDXWIM-UHFFFAOYSA-N 0 1 312.417 2.835 2 0 DFAFMN CCCCC[N@H+]1CCc2nc(-c3cccnc3)[n-]c(=O)c2CC1 ZINC000019502213 182125745 /nfs/dbraw/zinc/12/57/45/182125745.db2.gz HCPPNJQIXDXWIM-UHFFFAOYSA-N 0 1 312.417 2.835 2 0 DFAFMN Nc1nc(N)c2c(n1)CC[C@@H](CNc1cccc(Cl)c1)C2 ZINC000028127077 182509301 /nfs/dbraw/zinc/50/93/01/182509301.db2.gz INIMYGQHGBIDJT-SECBINFHSA-N 0 1 303.797 2.511 1 0 DFAFMN CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)c2c(C)[nH]nc2C[C@@]1(C)O ZINC000013144183 278237622 /nfs/dbraw/zinc/23/76/22/278237622.db2.gz OATADCACUCTNIL-LTIDMASMSA-N 0 1 302.349 2.716 1 0 DFAFMN COC(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1 ZINC000004237927 181086714 /nfs/dbraw/zinc/08/67/14/181086714.db2.gz GOFLFBGEQBOHGF-UHFFFAOYSA-N 0 1 309.435 2.588 1 0 DFAFMN COc1cc(-c2cc(=O)c3c(O)cccc3o2)cc(OC)c1O ZINC000040938979 183149529 /nfs/dbraw/zinc/14/95/29/183149529.db2.gz BTTNEDIXDIOSHP-UHFFFAOYSA-N 0 1 314.293 2.888 1 0 DFAFMN N[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1 ZINC000058568310 184122738 /nfs/dbraw/zinc/12/27/38/184122738.db2.gz NDENTRIWSKFVRD-QGZVFWFLSA-N 0 1 324.359 2.724 1 0 DFAFMN COc1ccc(OC)c(NC(=O)Nc2nc([C@H](C)N)cs2)c1 ZINC000061926632 184196407 /nfs/dbraw/zinc/19/64/07/184196407.db2.gz FWBAZKNXSGYXMV-QMMMGPOBSA-N 0 1 322.390 2.824 3 0 DFAFMN CCOc1ccc(N2C(=O)C[C@@H](N3CCCCCC3)C2=O)cc1 ZINC000004996568 181187281 /nfs/dbraw/zinc/18/72/81/181187281.db2.gz LTXJYAOVQORNSK-MRXNPFEDSA-N 0 1 316.401 2.593 1 0 DFAFMN COc1cc2cc(-c3ccc(O)cc3)c(=O)oc2c(OC)c1O ZINC000073168167 191287604 /nfs/dbraw/zinc/28/76/04/191287604.db2.gz QVEXKSVJJGBRKA-UHFFFAOYSA-N 0 1 314.293 2.888 1 0 DFAFMN Cc1nc2ccccc2c(=O)n1NC(=O)c1cc2ccccc2o1 ZINC000015993858 182027752 /nfs/dbraw/zinc/02/77/52/182027752.db2.gz HQDVCEQSSWWFLP-UHFFFAOYSA-N 0 1 319.320 2.835 1 0 DFAFMN C=C1N=C(C)C(C(=O)OC)[C@@H](c2ccncc2)C1C(=O)OC ZINC000019418565 182122350 /nfs/dbraw/zinc/12/23/50/182122350.db2.gz AOAYLNCMHQMYSU-YEQVNJDRSA-N 0 1 302.330 2.503 1 0 DFAFMN C[C@H]1OC=C(CO)[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]12 ZINC000040466413 183072847 /nfs/dbraw/zinc/07/28/47/183072847.db2.gz TXYQVRGSLNGUJS-LOFBVBFDSA-N 0 1 324.424 2.998 1 0 DFAFMN CN1CCN(C2=Nc3ccccc3CC=C2c2cccnc2)CC1 ZINC000040504243 183084480 /nfs/dbraw/zinc/08/44/80/183084480.db2.gz MIYZLKLYKJNWPT-UHFFFAOYSA-N 0 1 318.424 2.999 1 0 DFAFMN Cc1cc(=O)c2c(O)c3c(cc2o1)CC(C)(C)[C@H](OC=C=O)C3 ZINC000085643197 560067517 /nfs/dbraw/zinc/06/75/17/560067517.db2.gz HMGRHXZGBHTXBP-OAHLLOKOSA-N 0 1 314.337 2.662 1 0 biogenic,in-vitro DFAFMN CCc1c(C)[nH]c2cc(OCCN(C)C)c(Cl)cc2c1=O ZINC000073224331 191295556 /nfs/dbraw/zinc/29/55/56/191295556.db2.gz XHEOKUFEZQNHIU-UHFFFAOYSA-N 0 1 308.809 2.993 1 0 DFAFMN CCCN1CCN(C(=O)c2cc3ccc4cccnc4c3[nH]2)CC1 ZINC000020575414 182234825 /nfs/dbraw/zinc/23/48/25/182234825.db2.gz IPFXYSNSODSYPS-UHFFFAOYSA-N 0 1 322.412 2.884 1 0 DFAFMN C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@H+]2CCCC(=O)[O-] ZINC000029130387 182553867 /nfs/dbraw/zinc/55/38/67/182553867.db2.gz HFWBWYBUJIGCHA-IWEFOYFVSA-N 0 1 303.402 2.781 1 0 DFAFMN O=C([O-])c1ccc2[nH]c(CNc3[nH]c4ccccc4[nH+]3)nc2c1 ZINC000066259975 184399421 /nfs/dbraw/zinc/39/94/21/184399421.db2.gz SISWUSTXHFAQOU-UHFFFAOYSA-N 0 1 307.313 2.750 1 0 DFAFMN Cc1csc(-c2nc(N)[nH]c2-c2ccc3c(c2)OCO3)n1 ZINC000073389774 191311383 /nfs/dbraw/zinc/31/13/83/191311383.db2.gz VYIPRPUNIQBGCD-UHFFFAOYSA-N 0 1 300.343 2.820 1 0 DFAFMN c1ccc(CN2CCc3nc([C@H]4CCCCN4)ncc3C2)cc1 ZINC000019372337 182120873 /nfs/dbraw/zinc/12/08/73/182120873.db2.gz BXYSWHOMANBTDE-GOSISDBHSA-N 0 1 308.429 2.850 2 0 DFAFMN COc1cc(-c2coc3cc(O)c(OC)cc3c2=O)ccc1O ZINC000064559179 184299770 /nfs/dbraw/zinc/29/97/70/184299770.db2.gz AIHPKGCZAMGKIJ-UHFFFAOYSA-N 0 1 314.293 2.888 1 0 DFAFMN O=C1c2cccc3cccc(c32)C(=O)N1[C@@H]1CN2CCC1CC2 ZINC000003782115 181046459 /nfs/dbraw/zinc/04/64/59/181046459.db2.gz HNEIGAAGXACRLT-MRXNPFEDSA-N 0 1 306.365 2.530 1 0 DFAFMN Cc1csc(-c2[nH]c(CN)nc2-c2ccc3c(c2)OCO3)n1 ZINC000073312217 191303293 /nfs/dbraw/zinc/30/32/93/191303293.db2.gz MBTAXWYDKFCVAW-UHFFFAOYSA-N 0 1 314.370 2.696 1 0 DFAFMN O=C1NC(=O)N(CCc2ccccc2)/C1=C\c1ccc(O)cc1 ZINC000038147695 182993623 /nfs/dbraw/zinc/99/36/23/182993623.db2.gz SXBULDIKCMKRBS-VBKFSLOCSA-N 0 1 308.337 2.528 1 0 DFAFMN O=C1NC(=O)N(CCc2ccccc2)/C1=C\c1cccc(O)c1 ZINC000043013955 183327806 /nfs/dbraw/zinc/32/78/06/183327806.db2.gz CKZIAMLRJWGMTG-VBKFSLOCSA-N 0 1 308.337 2.528 1 0 DFAFMN COc1ccc(-c2coc3c(OC)c(O)cc(O)c3c2=O)cc1 ZINC000014759277 560225633 /nfs/dbraw/zinc/22/56/33/560225633.db2.gz OABIUNRFCBFKTL-UHFFFAOYSA-N 0 1 314.293 2.888 1 0 biogenic,in-vitro DFAFMN Cn1ccc(-c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2)n1 ZINC000045301886 581098769 /nfs/dbraw/zinc/09/87/69/581098769.db2.gz NVDWIICXGMDHNM-UHFFFAOYSA-N 0 1 317.352 2.729 1 0 DFAFMN Fc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000082158461 185174154 /nfs/dbraw/zinc/17/41/54/185174154.db2.gz GTBFEJIEYNPFMI-UHFFFAOYSA-N 0 1 314.408 2.761 1 0 DFAFMN CC(C)(C)CC(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019082705 182104473 /nfs/dbraw/zinc/10/44/73/182104473.db2.gz KWMIEUOUBFNLRM-OAHLLOKOSA-N 0 1 316.449 2.612 2 0 DFAFMN Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)n[nH]1 ZINC000019227425 182109234 /nfs/dbraw/zinc/10/92/34/182109234.db2.gz IOVHXCPUVCQXLG-LBPRGKRZSA-N 0 1 320.343 2.713 2 0 DFAFMN C=C1N=C(C)C(C(=O)OC)[C@@H](c2cccc(O)c2)C1C(=O)OC ZINC000019418882 182122641 /nfs/dbraw/zinc/12/26/41/182122641.db2.gz FDOCXSFXXSHWOF-WSTOHFRZSA-N 0 1 317.341 2.813 1 0 DFAFMN COc1ccc2nc([S@@](=O)Cc3cc(C)ccc3N)[nH]c2c1 ZINC000028228307 182513145 /nfs/dbraw/zinc/51/31/45/182513145.db2.gz KKKWYYVDWPRCKU-JOCHJYFZSA-N 0 1 315.398 2.770 1 0 DFAFMN CCCN1CCCC[C@]1(C)c1nc2c(cccc2C(N)=O)[nH]1 ZINC000040980913 183154715 /nfs/dbraw/zinc/15/47/15/183154715.db2.gz TUJCKTUZCVMCML-QGZVFWFLSA-N 0 1 300.406 2.773 1 0 DFAFMN Cc1ccc2c(ccc(C(=O)NCCc3ccc(O)cc3)c2O)n1 ZINC000040878861 183145037 /nfs/dbraw/zinc/14/50/37/183145037.db2.gz QAWRJIIWZFTKHR-UHFFFAOYSA-N 0 1 322.364 2.927 1 0 DFAFMN Cc1nc(CCN2CCC(Oc3cccnc3)CC2)cs1 ZINC000020514128 182225845 /nfs/dbraw/zinc/22/58/45/182225845.db2.gz SYYAATXQUAKYFC-UHFFFAOYSA-N 0 1 303.431 2.932 2 0 DFAFMN COc1c(/C=C2\NC(=O)NC2=O)ccc(OC(C)(C)C)c1Cl ZINC000064559664 184299855 /nfs/dbraw/zinc/29/98/55/184299855.db2.gz XGWMALNSJWLRRQ-CLFYSBASSA-N 0 1 324.764 2.706 1 0 DFAFMN O=c1c2cc(F)ccc2nc2n1CCN(Cc1ccccc1)CC2 ZINC000019372438 275043092 /nfs/dbraw/zinc/04/30/92/275043092.db2.gz OXSUCHFCGLFGHR-UHFFFAOYSA-N 0 1 323.371 2.594 2 0 DFAFMN NC(=O)c1cccc2nc(-c3ccc(-c4cnco4)cc3)[nH]c21 ZINC000045245433 581100600 /nfs/dbraw/zinc/10/06/00/581100600.db2.gz FFFUQLICAJOHFJ-UHFFFAOYSA-N 0 1 304.309 2.984 1 0 DFAFMN O=C1Cc2c(cccc2N2CCN(Cc3ccccc3)CC2)N1 ZINC000095610680 185382596 /nfs/dbraw/zinc/38/25/96/185382596.db2.gz TUVRDSTTWFDDHW-UHFFFAOYSA-N 0 1 307.397 2.503 1 0 DFAFMN NCC(=O)N1c2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000096903313 185390395 /nfs/dbraw/zinc/39/03/95/185390395.db2.gz JHHVIEWVEFESTL-KRWDZBQOSA-N 0 1 318.380 2.666 1 0 DFAFMN Nc1nc(N)c2c(n1)CC[C@@H](CNc1ccc(Cl)cc1)C2 ZINC000005974141 181303043 /nfs/dbraw/zinc/30/30/43/181303043.db2.gz MCNPVOLBYMVRLQ-SECBINFHSA-N 0 1 303.797 2.511 1 0 DFAFMN CC(C)n1nc2c3c1cccc3C(=O)N([C@H]1CN3CCC1CC3)C2 ZINC000066099543 184389297 /nfs/dbraw/zinc/38/92/97/184389297.db2.gz CKWOZHIVNRGMQI-KRWDZBQOSA-N 0 1 324.428 2.667 1 0 DFAFMN COc1ccc(OC)c(NC(=O)Nc2nc([C@@H](C)N)cs2)c1 ZINC000061926633 184196251 /nfs/dbraw/zinc/19/62/51/184196251.db2.gz FWBAZKNXSGYXMV-MRVPVSSYSA-N 0 1 322.390 2.824 3 0 DFAFMN CC(C)n1nc2c3c1cccc3C(=O)N([C@@H]1CN3CCC1CC3)C2 ZINC000066099545 184389174 /nfs/dbraw/zinc/38/91/74/184389174.db2.gz CKWOZHIVNRGMQI-QGZVFWFLSA-N 0 1 324.428 2.667 1 0 DFAFMN Nc1nc(N)c2c(n1)CC[C@H](CNc1ccc(Cl)cc1)C2 ZINC000003814879 181047164 /nfs/dbraw/zinc/04/71/64/181047164.db2.gz MCNPVOLBYMVRLQ-VIFPVBQESA-N 0 1 303.797 2.511 1 0 DFAFMN CC(C)(C)CC(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019082703 182104456 /nfs/dbraw/zinc/10/44/56/182104456.db2.gz KWMIEUOUBFNLRM-HNNXBMFYSA-N 0 1 316.449 2.612 2 0 DFAFMN c1ccc(C2(CN3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000019369729 182119711 /nfs/dbraw/zinc/11/97/11/182119711.db2.gz FUDACAAUXJUEHM-UHFFFAOYSA-N 0 1 307.441 2.931 2 0 DFAFMN O=C1NC(=O)N(CCc2ccccc2)/C1=C/c1cccc(O)c1 ZINC000040565874 183103653 /nfs/dbraw/zinc/10/36/53/183103653.db2.gz CKZIAMLRJWGMTG-FOWTUZBSSA-N 0 1 308.337 2.528 1 0 DFAFMN COc1ccccc1/C=C1\C(=O)NC(=O)N1Cc1ccccc1 ZINC000040974580 183153455 /nfs/dbraw/zinc/15/34/55/183153455.db2.gz ZLYYJMSAIJGKTD-RVDMUPIBSA-N 0 1 308.337 2.788 1 0 DFAFMN Oc1c(-c2nnc(Cc3ccccc3)o2)ncc2cccnc21 ZINC000042889380 183316533 /nfs/dbraw/zinc/31/65/33/183316533.db2.gz XSRJUIGPNSIGAA-UHFFFAOYSA-N 0 1 304.309 2.976 1 0 DFAFMN O=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)ccc1O ZINC000095588850 185381979 /nfs/dbraw/zinc/38/19/79/185381979.db2.gz OGFLOCMJWUVXIJ-UHFFFAOYSA-N 0 1 305.677 2.941 1 0 DFAFMN COCCN(CCOC)Cc1cc(=O)oc2cc(C)cc(C)c12 ZINC000072137646 191048294 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