smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(Cl)cc1C#CCO)c1ccncc1O ZINC000163108456 197612557 /nfs/dbraw/zinc/61/25/57/197612557.db2.gz PENLHHDDODWMKX-UHFFFAOYSA-N 0 1 302.717 2.037 10 30 DEEEMN CC(C)(C)[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)[O-] ZINC000092449262 185319245 /nfs/dbraw/zinc/31/92/45/185319245.db2.gz VCFVJXPXSAYWIS-UHFFFAOYSA-N 0 1 309.391 2.133 10 30 DEEEMN CNC(=O)[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000183658172 539663626 /nfs/dbraw/zinc/66/36/26/539663626.db2.gz XCHFQFZOPVNEGG-CQSZACIVSA-N 0 1 312.335 2.417 10 30 DEEEMN COc1ccc(C#CCO)c(CN2CCS[C@@H](C)[C@@H]2C)c1 ZINC000133773254 186010774 /nfs/dbraw/zinc/01/07/74/186010774.db2.gz PSPKEZOVBMZFRM-KBPBESRZSA-N 0 1 305.443 2.365 10 30 DEEEMN C=CCOc1cccnc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617010216 362994421 /nfs/dbraw/zinc/99/44/21/362994421.db2.gz KZEUBNFVKYIJFI-ZDUSSCGKSA-N 0 1 303.406 2.249 10 30 DEEEMN O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCO1)C1CCCCC1 ZINC000328750845 539910691 /nfs/dbraw/zinc/91/06/91/539910691.db2.gz CFVDYJWJSHACQI-AWEZNQCLSA-N 0 1 320.393 2.022 10 30 DEEEMN C=C(C)CN(CC)C(=O)CN1[C@H](C)[C@H](C(=O)OCC)CC[C@@H]1C ZINC000595559397 358484323 /nfs/dbraw/zinc/48/43/23/358484323.db2.gz OCXYQONGDULIAW-ARFHVFGLSA-N 0 1 324.465 2.463 10 30 DEEEMN C=CCOCCN1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595912675 358579071 /nfs/dbraw/zinc/57/90/71/358579071.db2.gz OWZBISMDFBGWOV-GFCCVEGCSA-N 0 1 310.419 2.312 10 30 DEEEMN C[C@@H]1CC[C@](CO)(N(C)CC(=O)Nc2sccc2C#N)C1 ZINC000187897066 200173115 /nfs/dbraw/zinc/17/31/15/200173115.db2.gz IVDMPHSGFVSBCE-ABAIWWIYSA-N 0 1 307.419 2.041 10 30 DEEEMN C#CCOc1ccccc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000188106167 200195330 /nfs/dbraw/zinc/19/53/30/200195330.db2.gz XAFUDNPAHOTZHD-HNNXBMFYSA-N 0 1 313.401 2.401 10 30 DEEEMN CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)[C@H](C)C1 ZINC000188705718 200291183 /nfs/dbraw/zinc/29/11/83/200291183.db2.gz BJGHDIUJUIBPKU-DOMZBBRYSA-N 0 1 301.390 2.066 10 30 DEEEMN CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)[C@H](C)C1 ZINC000188705718 200291185 /nfs/dbraw/zinc/29/11/85/200291185.db2.gz BJGHDIUJUIBPKU-DOMZBBRYSA-N 0 1 301.390 2.066 10 30 DEEEMN C#CCOc1ccccc1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268173180 206514627 /nfs/dbraw/zinc/51/46/27/206514627.db2.gz TZDKWHYONDYGDU-AWEZNQCLSA-N 0 1 309.369 2.158 10 30 DEEEMN COc1ccc(CNCc2ccnn2C)cc1OCCCC#N ZINC000119996344 401973833 /nfs/dbraw/zinc/97/38/33/401973833.db2.gz UBHBQMXDTPQEOQ-UHFFFAOYSA-N 0 1 314.389 2.401 10 30 DEEEMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178528636 402507902 /nfs/dbraw/zinc/50/79/02/402507902.db2.gz YRQXNUYQBVTTJC-CQSZACIVSA-N 0 1 310.438 2.075 10 30 DEEEMN C=CCCO[C@H](C)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000265348964 402912154 /nfs/dbraw/zinc/91/21/54/402912154.db2.gz WYDKZORVYYHKTM-CYBMUJFWSA-N 0 1 308.397 2.485 10 30 DEEEMN C=CCN1CC[C@H](N[C@@H](C)c2cn(C(C)(C)C)nc2C)C1=O ZINC000281386831 403067410 /nfs/dbraw/zinc/06/74/10/403067410.db2.gz ZFCBELWIXHIWER-WFASDCNBSA-N 0 1 304.438 2.384 10 30 DEEEMN C#CCC(CC#C)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000277631988 403239132 /nfs/dbraw/zinc/23/91/32/403239132.db2.gz JKQCLDMCQMXQRU-UHFFFAOYSA-N 0 1 323.440 2.035 10 30 DEEEMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc2cncn2c1 ZINC000298368310 403367500 /nfs/dbraw/zinc/36/75/00/403367500.db2.gz QCCBMILMQIXRTE-GOEBONIOSA-N 0 1 314.389 2.115 10 30 DEEEMN CCN1C[C@H](C)N(C(=O)Nc2cn(C)nc2C2CC2)C[C@@H]1C ZINC000329633234 404402392 /nfs/dbraw/zinc/40/23/92/404402392.db2.gz SINMKYPWCNTKGZ-RYUDHWBXSA-N 0 1 305.426 2.258 10 30 DEEEMN C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000351076531 404510830 /nfs/dbraw/zinc/51/08/30/404510830.db2.gz STHCRCNDSVXQMP-OAHLLOKOSA-N 0 1 313.405 2.397 10 30 DEEEMN C=CCNC(=O)CNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451151833 404882381 /nfs/dbraw/zinc/88/23/81/404882381.db2.gz WPNIPRMFURPGEH-UHFFFAOYSA-N 0 1 314.307 2.466 10 30 DEEEMN COc1cc(C[N@H+]2CCCN(c3cccnn3)CC2)ccc1C#N ZINC000367027891 404903698 /nfs/dbraw/zinc/90/36/98/404903698.db2.gz CXPLCZWIVFNMSK-UHFFFAOYSA-N 0 1 323.400 2.069 10 30 DEEEMN COc1cc(CN2CCCN(c3cccnn3)CC2)ccc1C#N ZINC000367027891 404903700 /nfs/dbraw/zinc/90/37/00/404903700.db2.gz CXPLCZWIVFNMSK-UHFFFAOYSA-N 0 1 323.400 2.069 10 30 DEEEMN C=CCCS(=O)(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000361269488 405001488 /nfs/dbraw/zinc/00/14/88/405001488.db2.gz VHQXBBZVKWENTO-INIZCTEOSA-N 0 1 322.474 2.489 10 30 DEEEMN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(CC)CC1 ZINC000424118393 405013041 /nfs/dbraw/zinc/01/30/41/405013041.db2.gz CJQGMZFJXYXVOV-CYBMUJFWSA-N 0 1 307.467 2.174 10 30 DEEEMN C=CCN1CC[C@H](N2CCC[C@@H]2COc2cccnc2C)C1=O ZINC000419381987 405246546 /nfs/dbraw/zinc/24/65/46/405246546.db2.gz CZQKEIGEMFIUGK-CVEARBPZSA-N 0 1 315.417 2.020 10 30 DEEEMN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@](C)(c2ccccc2)C1 ZINC000446719096 405389940 /nfs/dbraw/zinc/38/99/40/405389940.db2.gz LVGAEKBYWONMPS-KDOFPFPSSA-N 0 1 315.417 2.050 10 30 DEEEMN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN(CC)CC1 ZINC000563126352 333394925 /nfs/dbraw/zinc/39/49/25/333394925.db2.gz XGLLQZIQSQBUHC-UHFFFAOYSA-N 0 1 317.359 2.101 10 30 DEEEMN C=CCCCCCNC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000582554642 337108514 /nfs/dbraw/zinc/10/85/14/337108514.db2.gz ADWZCURDANUPLA-INIZCTEOSA-N 0 1 309.454 2.097 10 30 DEEEMN CCOC(=O)[C@@H]1C(=O)C(I)=CC[C@H]1C ZINC000584604464 337371336 /nfs/dbraw/zinc/37/13/36/337371336.db2.gz FLVMILNKUYAVIL-SVRRBLITSA-N 0 1 308.115 2.094 10 30 DEEEMN C[C@H](N[C@H]1CCCc2c(O)cccc21)C(=O)N(C)CCC#N ZINC000192362357 534002149 /nfs/dbraw/zinc/00/21/49/534002149.db2.gz HFEQDQFILKFLRJ-WFASDCNBSA-N 0 1 301.390 2.120 10 30 DEEEMN C=CCNC(=O)CN1CCN(CC[C@H](C)c2ccccc2)CC1 ZINC000447793600 526536671 /nfs/dbraw/zinc/53/66/71/526536671.db2.gz DIMUARAOWNZQQX-KRWDZBQOSA-N 0 1 315.461 2.100 10 30 DEEEMN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000248620874 526667333 /nfs/dbraw/zinc/66/73/33/526667333.db2.gz LKENKTDDLZNGBK-DOTOQJQBSA-N 0 1 313.445 2.458 10 30 DEEEMN C=C(C)Cn1c(C)nnc1N1CCN(CCOCC)[C@H](CC)C1 ZINC000338804827 526723633 /nfs/dbraw/zinc/72/36/33/526723633.db2.gz DBCZCLQMZSKIIJ-MRXNPFEDSA-N 0 1 321.469 2.100 10 30 DEEEMN C=CC[C@H](CO)NC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC000368815216 527205760 /nfs/dbraw/zinc/20/57/60/527205760.db2.gz AMOATRAPTLLAGC-QZTJIDSGSA-N 0 1 316.445 2.403 10 30 DEEEMN C#CC[C@H](Cc1ccccc1)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000804456273 645774358 /nfs/dbraw/zinc/77/43/58/645774358.db2.gz WCASZPMRKPTBEQ-IAGOWNOFSA-N 0 1 316.470 2.175 10 30 DEEEMN N#CCSCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183198485 649046130 /nfs/dbraw/zinc/04/61/30/649046130.db2.gz HAMOZQQSIDMOOX-HNNXBMFYSA-N 0 1 304.415 2.451 10 30 DEEEMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](c2ccncn2)C1 ZINC000613209878 362040093 /nfs/dbraw/zinc/04/00/93/362040093.db2.gz LLXSSTOXKWXNLX-JKSUJKDBSA-N 0 1 316.449 2.469 10 30 DEEEMN CCOC(=O)CN1C(=O)c2ccc(C(F)(F)F)cc2[C@H]1C#N ZINC000071680954 191007081 /nfs/dbraw/zinc/00/70/81/191007081.db2.gz FJXDCQWQZCIERH-LLVKDONJSA-N 0 1 312.247 2.289 10 30 DEEEMN CCCCCOC(=O)CSc1nc(CC)c(C#N)c(=O)[nH]1 ZINC000005239048 181220418 /nfs/dbraw/zinc/22/04/18/181220418.db2.gz RBWCKUJKUFGODS-UHFFFAOYSA-N 0 1 309.391 2.029 10 30 DEEEMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000182279691 356118885 /nfs/dbraw/zinc/11/88/85/356118885.db2.gz VCIWXRCLDYXCIV-OLZOCXBDSA-N 0 1 317.389 2.074 10 30 DEEEMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000182282441 356119556 /nfs/dbraw/zinc/11/95/56/356119556.db2.gz IRMHJVQJKDTIFV-ZDUSSCGKSA-N 0 1 304.390 2.491 10 30 DEEEMN C=CCCn1cc(CN[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)nn1 ZINC000594951838 358367773 /nfs/dbraw/zinc/36/77/73/358367773.db2.gz ZOGIMWQEIDDEHI-KGLIPLIRSA-N 0 1 320.437 2.454 10 30 DEEEMN C=CCOc1ccc(CN2CC[C@](OC)(C(=O)OC)C2)cc1 ZINC000600190466 359683337 /nfs/dbraw/zinc/68/33/37/359683337.db2.gz PLMFEMLNYNRKJY-QGZVFWFLSA-N 0 1 305.374 2.015 10 30 DEEEMN C=CCOc1ccc(CN2CC[C@@](OC)(C(=O)OC)C2)cc1 ZINC000600190465 359683597 /nfs/dbraw/zinc/68/35/97/359683597.db2.gz PLMFEMLNYNRKJY-KRWDZBQOSA-N 0 1 305.374 2.015 10 30 DEEEMN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc3cn[nH]c3cc2C)C1 ZINC000627734324 366604403 /nfs/dbraw/zinc/60/44/03/366604403.db2.gz PUECRTSXULZTNQ-LBPRGKRZSA-N 0 1 312.373 2.234 10 30 DEEEMN C[C@@H](CO)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619295460 363759034 /nfs/dbraw/zinc/75/90/34/363759034.db2.gz HUZOTJKHZMRYMG-CJNGLKHVSA-N 0 1 307.825 2.151 10 30 DEEEMN N#Cc1ccc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000610847844 361476639 /nfs/dbraw/zinc/47/66/39/361476639.db2.gz YILOAEBTXUUDDJ-CQSZACIVSA-N 0 1 313.336 2.297 10 30 DEEEMN C=CCOc1c(Cl)cc(CN[C@H]2CCCNC2=O)cc1OC ZINC000623386035 365008716 /nfs/dbraw/zinc/00/87/16/365008716.db2.gz HYRXZDAQKWFPKF-ZDUSSCGKSA-N 0 1 324.808 2.282 10 30 DEEEMN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](c2ccco2)N2CCCC2)C1=O ZINC000630964185 367939259 /nfs/dbraw/zinc/93/92/59/367939259.db2.gz FSUMMVILMUAIHP-KBPBESRZSA-N 0 1 317.389 2.303 10 30 DEEEMN CCCCOc1ccc([C@H]2NC(=S)NC(=O)C2C#N)cc1 ZINC000059378558 184137969 /nfs/dbraw/zinc/13/79/69/184137969.db2.gz RGYYUGDYIZNWGS-QWHCGFSZSA-N 0 1 303.387 2.051 10 30 DEEEMN CC1=CCN(CCNC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000358198068 133127541 /nfs/dbraw/zinc/12/75/41/133127541.db2.gz WSVAOWBWDOKJCC-UHFFFAOYSA-N 0 1 312.417 2.352 10 30 DEEEMN C=CCOc1ccccc1CN1CCN(CCOCC)CC1 ZINC000127449496 401735729 /nfs/dbraw/zinc/73/57/29/401735729.db2.gz XTNPEEQQLPIDKZ-UHFFFAOYSA-N 0 1 304.434 2.406 10 30 DEEEMN C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152268845 402086069 /nfs/dbraw/zinc/08/60/69/402086069.db2.gz NSLOGSLONDZAIC-WBVHZDCISA-N 0 1 317.433 2.348 10 30 DEEEMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](Oc2cccnc2)C1 ZINC000152268845 402086071 /nfs/dbraw/zinc/08/60/71/402086071.db2.gz NSLOGSLONDZAIC-WBVHZDCISA-N 0 1 317.433 2.348 10 30 DEEEMN CCCC(=O)N[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000101563246 402148991 /nfs/dbraw/zinc/14/89/91/402148991.db2.gz RCSWAFWCPVQESR-MRXNPFEDSA-N 0 1 315.417 2.318 10 30 DEEEMN CC#CCCN1CCN(c2ccc(Br)cn2)CC1 ZINC000155063760 402243606 /nfs/dbraw/zinc/24/36/06/402243606.db2.gz HAQBRGFYHGKKJO-UHFFFAOYSA-N 0 1 308.223 2.380 10 30 DEEEMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)[nH]n1 ZINC000068792492 402206119 /nfs/dbraw/zinc/20/61/19/402206119.db2.gz DLICMNTZRNPMKR-UHFFFAOYSA-N 0 1 300.318 2.455 10 30 DEEEMN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000185108648 402325428 /nfs/dbraw/zinc/32/54/28/402325428.db2.gz IKDYVZXHAUKLOO-CQSZACIVSA-N 0 1 302.422 2.374 10 30 DEEEMN C=C(C)C[C@@H](C)C(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000185480363 402355706 /nfs/dbraw/zinc/35/57/06/402355706.db2.gz PGTGTRZZXIOSDK-CQSZACIVSA-N 0 1 303.406 2.341 10 30 DEEEMN CC(C)N(CCc1nccs1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000159841278 402331813 /nfs/dbraw/zinc/33/18/13/402331813.db2.gz JNRUDWUBNDTBLQ-INIZCTEOSA-N 0 1 320.462 2.204 10 30 DEEEMN N#Cc1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)c(F)c1 ZINC000170936125 402543238 /nfs/dbraw/zinc/54/32/38/402543238.db2.gz JRAKYYZYIZDBDL-HNNXBMFYSA-N 0 1 316.380 2.077 10 30 DEEEMN Cc1cc(C)c2ncc(C#N)c(N3CCN(CCO)[C@H](C)C3)c2c1 ZINC000189400153 402536290 /nfs/dbraw/zinc/53/62/90/402536290.db2.gz SOPPIKNREUKBTK-OAHLLOKOSA-N 0 1 324.428 2.226 10 30 DEEEMN N#C[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)C1CC1 ZINC000171829497 402626342 /nfs/dbraw/zinc/62/63/42/402626342.db2.gz ZMLSQHVKCLWCQT-LLVKDONJSA-N 0 1 319.162 2.357 10 30 DEEEMN C#CC[C@H](Cc1ccccc1)NC(=O)CCCCc1cn[nH]n1 ZINC000287292107 403568947 /nfs/dbraw/zinc/56/89/47/403568947.db2.gz LCBOLTUNHUNCBZ-MRXNPFEDSA-N 0 1 310.401 2.268 10 30 DEEEMN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(C)C)CC1 ZINC000288198196 403740444 /nfs/dbraw/zinc/74/04/44/403740444.db2.gz PIOIPXYGTICMME-GOSISDBHSA-N 0 1 313.445 2.357 10 30 DEEEMN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@H]1CCc2[nH]nnc2C1 ZINC000328996935 404195296 /nfs/dbraw/zinc/19/52/96/404195296.db2.gz WOGJYEVBEFNGFR-LNSITVRQSA-N 0 1 314.393 2.247 10 30 DEEEMN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@H]1CCc2nn[nH]c2C1 ZINC000328996935 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211141849 /nfs/dbraw/zinc/14/18/49/211141849.db2.gz XPFJXELVZFIASA-SNVBAGLBSA-N 0 1 316.195 2.190 10 30 DEEEMN CCCCOc1ccc([C@@H]2NC(=S)NC(=O)C2C#N)cc1 ZINC000059378565 184137632 /nfs/dbraw/zinc/13/76/32/184137632.db2.gz RGYYUGDYIZNWGS-OLZOCXBDSA-N 0 1 303.387 2.051 10 30 DEEEMN N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000156830893 197143783 /nfs/dbraw/zinc/14/37/83/197143783.db2.gz DJTRLFIHKJLDKC-IYBDPMFKSA-N 0 1 318.442 2.454 10 30 DEEEMN Cn1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1C#N ZINC000191285636 145055141 /nfs/dbraw/zinc/05/51/41/145055141.db2.gz XCQRPYOLSFNSQT-KRWDZBQOSA-N 0 1 303.406 2.057 10 30 DEEEMN Cn1nccc1C1=CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000370592137 148033818 /nfs/dbraw/zinc/03/38/18/148033818.db2.gz DUIFHMQOENFYRU-SFHVURJKSA-N 0 1 308.385 2.114 10 30 DEEEMN N#CC1(c2ccc(C(=O)N3CCN(CC4CC4)CC3)cc2)CC1 ZINC000180132955 402608289 /nfs/dbraw/zinc/60/82/89/402608289.db2.gz NGSDSARBJFGAOF-UHFFFAOYSA-N 0 1 309.413 2.410 10 30 DEEEMN Cc1nc([C@@H](NC(=O)NCCCCC#N)c2ccccc2)n[nH]1 ZINC000171689693 402610137 /nfs/dbraw/zinc/61/01/37/402610137.db2.gz FYIAMFBUHISPQK-AWEZNQCLSA-N 0 1 312.377 2.196 10 30 DEEEMN C=CCCC[C@H](C)NC(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1 ZINC000181101991 402635429 /nfs/dbraw/zinc/63/54/29/402635429.db2.gz VKWWCKMORRNWEF-QWHCGFSZSA-N 0 1 321.425 2.195 10 30 DEEEMN CCN(CC)[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccco1 ZINC000192961767 402758729 /nfs/dbraw/zinc/75/87/29/402758729.db2.gz BGOUBNNVJKACDJ-OAHLLOKOSA-N 0 1 312.373 2.359 10 30 DEEEMN C=C(C)CS(=O)(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000184338390 402836609 /nfs/dbraw/zinc/83/66/09/402836609.db2.gz QSZLYPWEYGCIQQ-UHFFFAOYSA-N 0 1 323.462 2.146 10 30 DEEEMN C=CCCS(=O)(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268808212 403115980 /nfs/dbraw/zinc/11/59/80/403115980.db2.gz SPFSAMYVRWMXEG-INIZCTEOSA-N 0 1 308.447 2.099 10 30 DEEEMN C=CCCS(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268808212 403115981 /nfs/dbraw/zinc/11/59/81/403115981.db2.gz SPFSAMYVRWMXEG-INIZCTEOSA-N 0 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